#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx n ALA 13 N 0.00 4.84 -2.73 0.00 0.00 -1.26 -4.24 120.51 117.12 3gjx n ALA 13 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 53.44 51.37 3gjx n ALA 13 Cb 0.00 -2.96 0.06 0.00 0.00 0.00 0.00 19.45 16.55 3gjx n ALA 13 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gjx n ARG 14 N 4.03 0.63 -3.93 0.00 1.85 -1.26 -5.10 116.66 112.88 3gjx n ARG 14 Ca 0.45 -1.50 -0.31 0.00 -1.00 0.00 0.00 57.85 55.50 3gjx n ARG 14 Cb 0.17 -1.19 -0.15 0.00 -1.05 0.00 0.00 32.46 30.25 3gjx n ARG 14 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3gjx s GLN 15 N 0.57 1.29 0.30 2.89 0.74 -1.26 -5.11 119.66 119.08 3gjx s GLN 15 Ca 0.31 -1.69 -0.25 0.00 0.05 0.00 0.00 55.36 53.77 3gjx s GLN 15 Cb 0.22 -2.86 -0.10 0.00 1.10 0.00 0.00 33.01 31.38 3gjx s GLN 15 CO -0.21 -0.97 0.91 -0.48 -0.55 0.00 0.00 175.29 173.99 3gjx s LEU 16 N 1.03 4.35 0.29 3.68 0.05 -1.26 -4.99 118.68 121.83 3gjx s LEU 16 Ca 0.11 1.77 -0.30 0.00 0.05 0.00 0.00 54.13 55.76 3gjx s LEU 16 Cb -0.19 -3.93 -0.12 0.00 -2.05 0.00 0.00 46.19 39.91 3gjx s LEU 16 CO -0.12 -0.04 1.57 -0.11 -0.55 0.00 0.00 176.35 177.10 3gjx n LEU 17 N 0.62 4.22 0.00 1.48 7.94 -1.26 -4.98 117.00 125.02 3gjx n LEU 17 Ca 0.01 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3gjx n LEU 17 Cb 0.50 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.88 3gjx n LEU 17 CO 0.44 0.07 0.00 0.47 -1.11 0.00 0.00 177.39 177.26 3gjx n ASP 18 N 2.10 0.19 -3.42 1.96 9.92 -1.26 -5.04 116.55 120.99 3gjx n ASP 18 Ca 0.09 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.98 3gjx n ASP 18 Cb 0.36 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 3gjx n ASP 18 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3gjx n PHE 19 N 0.00 3.18 0.20 1.24 1.16 -1.26 -4.65 117.46 117.33 3gjx n PHE 19 Ca 0.00 -3.03 0.00 0.00 -1.87 0.00 0.00 57.45 52.55 3gjx n PHE 19 Cb 0.00 -0.97 0.00 0.00 -1.61 0.00 0.00 39.48 36.90 3gjx n PHE 19 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3gjx n SER 20 N -0.09 -2.58 -3.78 5.98 3.41 -1.26 -5.17 113.62 110.12 3gjx n SER 20 Ca 0.41 0.75 -0.07 0.00 -0.26 0.00 0.00 58.87 59.71 3gjx n SER 20 Cb 0.30 2.49 -0.02 0.00 -0.26 0.00 0.00 64.21 66.73 3gjx n SER 20 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3gjx s GLN 21 N -1.98 1.78 -0.33 4.33 0.74 -1.26 -5.13 119.66 117.81 3gjx s GLN 21 Ca 0.00 -1.00 0.04 0.00 0.05 0.00 0.00 55.36 54.45 3gjx s GLN 21 Cb 0.00 0.60 0.09 0.00 1.10 0.00 0.00 33.01 34.80 3gjx s GLN 21 CO 0.00 -0.82 0.03 0.15 -0.55 0.00 0.00 175.29 174.10 3gjx s LYS 22 N -3.75 1.61 -1.08 1.67 3.01 -1.26 -4.69 119.74 115.25 3gjx s LYS 22 Ca 0.11 -1.79 -0.21 0.00 -1.01 0.00 0.00 55.97 53.07 3gjx s LYS 22 Cb -0.06 -3.16 -0.08 0.00 -1.01 0.00 0.00 37.83 33.52 3gjx s LYS 22 CO 0.07 -0.88 1.93 -0.11 0.51 0.00 0.00 175.35 176.87 3gjx n LEU 23 N 4.28 3.94 0.13 3.17 7.94 -1.26 -4.71 117.00 130.49 3gjx n LEU 23 Ca 0.01 -3.25 0.18 0.00 -1.11 0.00 0.00 56.01 51.84 3gjx n LEU 23 Cb 0.42 -1.52 0.76 0.00 0.53 0.00 0.00 43.42 43.61 3gjx n LEU 23 CO 0.22 -0.85 1.16 -0.78 -1.11 0.00 0.00 177.39 176.03 3gjx h ASP 24 N 8.53 0.00 -0.18 1.96 1.82 -1.94 0.40 116.42 127.00 3gjx h ASP 24 Ca 0.34 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.86 3gjx h ASP 24 Cb 0.82 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 3gjx h ASP 24 CO 1.56 0.00 -0.31 0.40 -1.61 0.00 0.00 179.24 179.28 3gjx h ILE 25 N 0.00 1.28 0.83 2.25 5.03 -1.94 -0.60 117.51 124.36 3gjx h ILE 25 Ca 0.15 -1.44 -0.04 0.00 -0.12 0.00 0.00 64.86 63.41 3gjx h ILE 25 Cb 0.73 1.37 0.01 0.00 -3.03 0.00 0.00 36.82 35.90 3gjx h ILE 25 CO -0.00 0.47 -0.40 -1.13 -0.68 0.00 0.00 178.15 176.41 3gjx h ASN 26 N 0.58 -0.94 -0.75 1.72 -1.24 -0.60 -1.23 115.58 113.13 3gjx h ASN 26 Ca 0.07 0.02 0.17 0.00 0.71 0.00 0.00 56.30 57.27 3gjx h ASN 26 Cb 0.82 0.24 -0.12 0.00 0.73 0.00 0.00 38.32 39.99 3gjx h ASN 26 CO 0.07 -0.63 0.10 0.25 -1.29 0.00 0.00 177.43 175.92 3gjx h LEU 27 N -1.18 -0.16 -2.44 0.34 5.85 -1.52 0.56 115.31 116.77 3gjx h LEU 27 Ca -0.11 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3gjx h LEU 27 Cb 0.86 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gjx h LEU 27 CO 0.19 -0.12 0.07 0.25 -0.34 0.00 0.00 178.44 178.49 3gjx h LEU 28 N 0.18 0.00 0.10 2.25 5.85 -0.84 -1.66 115.31 121.19 3gjx h LEU 28 Ca 0.42 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.93 3gjx h LEU 28 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3gjx h LEU 28 CO -0.59 0.00 -1.07 -0.78 -0.34 0.00 0.00 178.44 175.66 3gjx h ASP 29 N 0.00 0.32 -0.58 1.25 1.82 0.13 -3.16 116.42 116.20 3gjx h ASP 29 Ca 0.03 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 55.81 3gjx h ASP 29 Cb 0.16 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3gjx h ASP 29 CO -0.00 1.47 0.37 0.78 -1.61 0.00 0.00 179.24 180.25 3gjx h ASN 30 N -0.48 0.69 -0.67 2.28 2.35 -1.04 -2.04 115.58 116.67 3gjx h ASN 30 Ca -0.23 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.59 3gjx h ASN 30 Cb 1.59 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.74 3gjx h ASN 30 CO 0.05 0.53 0.45 0.58 -1.65 0.00 0.00 177.43 177.38 3gjx h VAL 31 N 0.79 0.87 -0.06 2.81 2.07 -1.43 0.11 116.25 121.41 3gjx h VAL 31 Ca 0.21 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.42 3gjx h VAL 31 Cb -0.05 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3gjx h VAL 31 CO -0.04 0.08 -0.65 0.58 0.02 0.00 0.00 177.57 177.56 3gjx h VAL 32 N 0.45 1.40 -0.14 2.57 2.07 -1.34 -3.16 116.25 118.10 3gjx h VAL 32 Ca 0.32 -2.07 -0.20 0.00 0.82 0.00 0.00 66.70 65.56 3gjx h VAL 32 Cb 0.62 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3gjx h VAL 32 CO -0.10 0.61 -0.74 0.78 0.02 0.00 0.00 177.57 178.15 3gjx h ASN 33 N 0.18 0.77 0.00 0.57 -0.26 -0.51 -2.92 115.58 113.42 3gjx h ASN 33 Ca -0.01 -0.50 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 3gjx h ASN 33 Cb 1.17 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 3gjx h ASN 33 CO 0.10 1.27 0.27 0.00 -1.06 0.00 0.00 177.43 178.01 3gjx n LEU 35 N -2.90 2.23 0.00 0.00 4.77 -1.11 -4.86 117.00 115.13 3gjx n LEU 35 Ca -0.02 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3gjx n LEU 35 Cb 0.32 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3gjx n LEU 35 CO 0.14 0.54 0.00 -1.22 -1.33 0.00 0.00 177.39 175.53 3gjx n TYR 36 N 0.12 0.00 -2.48 -1.77 4.01 -0.39 -5.10 117.16 111.55 3gjx n TYR 36 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3gjx n TYR 36 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3gjx n TYR 36 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3gjx n HIS 37 N -0.82 -2.82 0.00 -0.72 8.25 -0.93 -5.08 115.22 113.10 3gjx n HIS 37 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gjx n HIS 37 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gjx n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gjx n GLY 38 N 5.00 -0.13 0.09 -1.41 0.00 -1.26 -4.52 105.19 102.96 3gjx n GLY 38 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3gjx n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gjx h GLU 39 N 0.00 -0.08 0.00 1.61 4.57 -2.00 -3.14 114.58 115.55 3gjx h GLU 39 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3gjx h GLU 39 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3gjx h GLU 39 CO 0.00 0.52 0.21 0.78 -1.18 0.00 0.00 179.01 179.34 3gjx h GLY 40 N -0.82 0.00 2.00 1.92 0.00 -1.98 0.35 103.07 104.53 3gjx h GLY 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gjx h GLY 40 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3gjx h ALA 41 N 1.53 1.00 0.00 3.60 0.00 -1.78 -2.60 119.26 121.02 3gjx h ALA 41 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gjx h ALA 41 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gjx h ALA 41 CO 0.00 0.00 -0.29 0.37 0.00 0.00 0.00 179.25 179.33 3gjx h GLN 42 N 0.00 0.00 0.03 0.00 -0.00 -0.34 -3.12 115.11 111.69 3gjx h GLN 42 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 3gjx h GLN 42 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.35 3gjx h GLN 42 CO 0.00 0.29 -0.98 0.37 0.00 0.00 0.00 178.83 178.51 3gjx h GLN 43 N 0.00 0.24 0.68 1.69 4.15 -1.39 -1.50 115.11 118.98 3gjx h GLN 43 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 3gjx h GLN 43 Cb 1.20 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.00 3gjx h GLN 43 CO 0.04 1.05 -0.33 0.00 -1.93 0.00 0.00 178.83 177.66 3gjx h ARG 44 N 0.12 -0.88 -0.16 1.69 2.47 -1.48 0.67 114.38 116.81 3gjx h ARG 44 Ca -0.07 0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3gjx h ARG 44 Cb 1.64 0.20 -0.07 0.00 -1.65 0.00 0.00 29.97 30.09 3gjx h ARG 44 CO 0.15 -0.56 -0.39 1.98 0.56 0.00 0.00 179.97 181.72 3gjx h MET 45 N -1.00 -0.43 -0.86 0.04 1.85 -1.62 0.31 114.93 113.22 3gjx h MET 45 Ca -0.09 0.03 0.22 0.00 -0.61 0.00 0.00 59.70 59.24 3gjx h MET 45 Cb 0.72 0.10 -0.15 0.00 0.43 0.00 0.00 31.60 32.70 3gjx h MET 45 CO 0.15 -0.28 0.07 0.00 -0.40 0.00 0.00 176.91 176.45 3gjx h ALA 46 N 0.26 1.02 -0.35 0.39 0.00 -1.05 0.18 119.26 119.72 3gjx h ALA 46 Ca 0.09 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3gjx h ALA 46 Cb 0.60 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gjx h ALA 46 CO -0.40 -0.47 0.02 0.37 0.00 0.00 0.00 179.25 178.77 3gjx h GLN 47 N 0.11 0.60 0.05 0.00 -0.00 0.25 -0.51 115.11 115.60 3gjx h GLN 47 Ca 0.50 -0.18 -0.24 0.00 -0.00 0.00 0.00 58.65 58.74 3gjx h GLN 47 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.39 3gjx h GLN 47 CO -0.74 0.70 -1.03 0.93 0.00 0.00 0.00 178.83 178.69 3gjx h GLU 48 N 0.42 0.33 0.01 1.69 5.08 0.17 -1.01 114.58 121.25 3gjx h GLU 48 Ca 0.10 -0.41 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 3gjx h GLU 48 Cb 0.42 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3gjx h GLU 48 CO 0.01 1.12 -0.87 -0.24 -1.00 0.00 0.00 179.01 178.03 3gjx h VAL 49 N 0.16 1.55 -0.21 3.13 3.04 -0.82 -3.24 116.25 119.85 3gjx h VAL 49 Ca -0.09 -2.77 -0.13 0.00 -1.01 0.00 0.00 66.70 62.70 3gjx h VAL 49 Cb 1.70 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 33.50 3gjx h VAL 49 CO 0.17 0.80 -0.43 0.25 -1.01 0.00 0.00 177.57 177.35 3gjx h LEU 50 N 0.05 0.54 -1.60 3.16 5.85 -0.99 -3.16 115.31 119.17 3gjx h LEU 50 Ca -0.03 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3gjx h LEU 50 Cb 1.51 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3gjx h LEU 50 CO 0.12 0.90 -0.21 0.74 -0.34 0.00 0.00 178.44 179.66 3gjx h THR 51 N 0.42 0.79 0.00 1.05 2.02 -1.20 -3.24 112.91 112.74 3gjx h THR 51 Ca 0.03 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3gjx h THR 51 Cb 0.92 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3gjx h THR 51 CO 0.08 0.20 0.00 1.57 0.37 0.00 0.00 175.52 177.74 3gjx n HIS 52 N -3.77 0.00 0.00 3.16 -0.00 -1.19 -4.12 115.22 109.29 3gjx n HIS 52 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3gjx n HIS 52 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 3gjx n HIS 52 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 3gjx n LEU 53 N -0.83 0.50 0.00 0.27 -0.00 -1.22 -4.49 117.00 111.23 3gjx n LEU 53 Ca 0.03 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 3gjx n LEU 53 Cb 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3gjx n LEU 53 CO 0.02 -0.01 0.21 1.17 -0.00 0.00 0.00 177.39 178.78 3gjx n LYS 54 N -0.53 0.00 0.00 1.47 4.81 -1.26 -4.99 118.16 117.66 3gjx n LYS 54 Ca 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3gjx n LYS 54 Cb 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.13 3gjx n LYS 54 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3gjx n GLU 55 N -0.76 0.00 -3.74 1.64 -0.58 -1.26 -5.12 120.64 110.81 3gjx n GLU 55 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 3gjx n GLU 55 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 3gjx n GLU 55 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 3gjx s HIS 56 N -1.59 2.05 -0.30 -0.32 -3.43 -1.26 -4.85 115.29 105.59 3gjx s HIS 56 Ca 0.00 -2.31 0.15 0.00 -0.80 0.00 0.00 55.06 52.09 3gjx s HIS 56 Cb 0.00 -1.93 0.77 0.00 -1.43 0.00 0.00 32.58 29.98 3gjx s HIS 56 CO 0.00 -0.82 1.69 -2.30 -2.00 0.00 0.00 174.74 171.32 3gjx n PRO 57 N 3.89 4.51 0.00 -0.38 -0.02 -1.26 -4.50 135.00 137.24 3gjx n PRO 57 Ca 0.06 -3.10 0.00 0.00 -2.02 0.00 0.00 63.50 58.44 3gjx n PRO 57 Cb 0.37 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3gjx n PRO 57 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gjx n ASP 58 N 0.47 4.42 -0.32 2.55 -0.08 -1.26 -4.72 116.55 117.61 3gjx n ASP 58 Ca 0.27 -0.03 -0.12 0.00 -1.51 0.00 0.00 54.79 53.40 3gjx n ASP 58 Cb 1.13 0.95 -0.10 0.00 2.34 0.00 0.00 41.12 45.44 3gjx n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gjx h ALA 59 N 0.00 -0.61 0.01 -1.67 0.00 -1.91 0.94 119.26 116.02 3gjx h ALA 59 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gjx h ALA 59 Cb 0.00 1.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3gjx h ALA 59 CO 0.00 -0.98 -0.22 -1.49 0.00 0.00 0.00 179.25 176.56 3gjx h TRP 60 N -0.12 -0.59 -0.80 0.00 6.55 -1.93 -2.47 115.95 116.59 3gjx h TRP 60 Ca 0.13 0.02 0.11 0.00 0.95 0.00 0.00 58.89 60.09 3gjx h TRP 60 Cb 0.46 0.26 -0.12 0.00 -0.86 0.00 0.00 29.16 28.89 3gjx h TRP 60 CO -0.93 -0.31 -0.46 1.15 -1.05 0.00 0.00 178.44 176.83 3gjx h THR 61 N -0.36 0.04 0.00 1.49 2.02 -1.18 0.20 112.91 115.12 3gjx h THR 61 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3gjx h THR 61 Cb 0.43 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3gjx h THR 61 CO -0.19 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.24 3gjx n ARG 62 N -5.39 0.00 -0.32 6.66 1.74 -0.21 -1.71 116.66 117.43 3gjx n ARG 62 Ca 0.04 0.22 0.03 0.00 -0.77 0.00 0.00 57.85 57.37 3gjx n ARG 62 Cb 0.34 -1.19 0.10 0.00 -1.02 0.00 0.00 32.46 30.69 3gjx n ARG 62 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gjx h VAL 63 N 0.00 0.10 -0.01 1.55 2.07 -1.42 0.46 116.25 119.00 3gjx h VAL 63 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3gjx h VAL 63 Cb 0.00 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 3gjx h VAL 63 CO 0.00 0.00 -0.51 0.44 0.02 0.00 0.00 177.57 177.52 3gjx h ASP 64 N -0.01 -1.58 -3.70 0.57 3.32 -1.02 -3.35 116.42 110.64 3gjx h ASP 64 Ca 0.41 0.18 -0.66 0.00 0.02 0.00 0.00 57.03 56.97 3gjx h ASP 64 Cb 0.64 0.60 -0.39 0.00 0.22 0.00 0.00 39.33 40.40 3gjx h ASP 64 CO -0.91 -0.49 -0.72 0.42 -1.72 0.00 0.00 179.24 175.82 3gjx s THR 65 N -5.59 2.33 0.33 0.35 -4.23 0.13 -5.10 115.64 103.87 3gjx s THR 65 Ca -0.15 -2.23 0.03 0.00 -1.18 0.00 0.00 61.69 58.16 3gjx s THR 65 Cb 0.06 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3gjx s THR 65 CO 0.58 -0.53 0.38 -0.38 -0.54 0.00 0.00 174.62 174.13 3gjx n ILE 66 N 4.30 0.00 -1.79 2.99 5.41 -1.04 -4.51 119.36 124.71 3gjx n ILE 66 Ca 0.01 -2.05 -0.31 0.00 1.00 0.00 0.00 62.75 61.40 3gjx n ILE 66 Cb 0.42 1.13 -0.07 0.00 -0.71 0.00 0.00 39.64 40.41 3gjx n ILE 66 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3gjx n SER 70 N -1.67 2.76 -3.72 4.38 7.64 -1.26 -4.75 113.62 116.99 3gjx n SER 70 Ca 0.04 -2.67 -0.29 0.00 1.01 0.00 0.00 58.87 56.96 3gjx n SER 70 Cb 0.58 -1.58 -0.12 0.00 -1.01 0.00 0.00 64.21 62.08 3gjx n SER 70 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3gjx s GLN 71 N 6.37 1.57 -0.02 1.43 -0.21 -1.26 -4.84 119.66 122.70 3gjx s GLN 71 Ca 0.67 -2.40 -0.04 0.00 0.02 0.00 0.00 55.36 53.61 3gjx s GLN 71 Cb 0.03 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 3gjx s GLN 71 CO 0.15 -1.23 -0.08 0.09 -2.12 0.00 0.00 175.29 172.09 3gjx n ASN 72 N 3.01 0.89 -0.26 5.90 3.02 -1.26 -4.49 115.26 122.07 3gjx n ASN 72 Ca 0.15 0.13 0.04 0.00 -0.03 0.00 0.00 54.58 54.87 3gjx n ASN 72 Cb 0.37 -0.32 0.17 0.00 -0.61 0.00 0.00 39.78 39.39 3gjx n ASN 72 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3gjx h MET 73 N -0.24 0.50 -0.65 3.52 4.05 -1.93 0.40 114.93 120.58 3gjx h MET 73 Ca -0.09 -0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.46 3gjx h MET 73 Cb 0.70 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 3gjx h MET 73 CO -0.05 0.33 0.45 -0.91 0.23 0.00 0.00 176.91 176.95 3gjx h ASN 74 N 0.51 0.18 0.15 1.39 4.21 -1.90 0.86 115.58 120.98 3gjx h ASN 74 Ca 0.40 0.01 -0.34 0.00 1.21 0.00 0.00 56.30 57.58 3gjx h ASN 74 Cb 0.54 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3gjx h ASN 74 CO -0.35 0.09 -1.75 0.74 -1.29 0.00 0.00 177.43 174.87 3gjx h THR 75 N 0.19 0.86 -0.62 2.81 2.02 -0.64 -2.72 112.91 114.81 3gjx h THR 75 Ca 0.31 -2.44 -0.06 0.00 0.77 0.00 0.00 66.41 64.99 3gjx h THR 75 Cb 0.96 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 70.01 3gjx h THR 75 CO -0.06 0.83 0.15 0.11 0.37 0.00 0.00 175.52 176.93 3gjx h LYS 76 N 0.00 1.00 -0.19 6.66 1.57 0.16 0.40 116.57 126.16 3gjx h LYS 76 Ca -0.36 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.23 3gjx h LYS 76 Cb 2.01 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 34.11 3gjx h LYS 76 CO 0.12 0.91 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.62 3gjx h TYR 77 N 0.92 -1.05 -0.68 -1.35 3.20 0.63 0.57 116.97 119.21 3gjx h TYR 77 Ca 0.20 0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.26 3gjx h TYR 77 Cb 0.36 0.49 -0.10 0.00 1.54 0.00 0.00 36.73 39.01 3gjx h TYR 77 CO 0.03 -0.43 0.11 -0.92 -1.64 0.00 0.00 178.16 175.31 3gjx h TYR 78 N -0.41 0.16 -0.89 -3.82 3.20 -1.13 0.19 116.97 114.28 3gjx h TYR 78 Ca 0.10 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3gjx h TYR 78 Cb 0.58 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3gjx h TYR 78 CO -0.48 -0.10 0.47 0.78 -1.64 0.00 0.00 178.16 177.19 3gjx h GLY 79 N 0.22 1.33 1.57 1.82 0.00 0.29 -0.58 103.07 107.71 3gjx h GLY 79 Ca 0.37 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3gjx h GLY 79 CO -0.50 0.59 0.18 1.41 0.00 0.00 0.00 176.54 178.22 3gjx h LEU 80 N 1.24 0.51 -0.27 3.11 4.07 0.19 -2.09 115.31 122.07 3gjx h LEU 80 Ca 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 3gjx h LEU 80 Cb 0.05 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 3gjx h LEU 80 CO -0.05 0.45 0.11 -0.61 -1.08 0.00 0.00 178.44 177.26 3gjx h GLN 81 N 0.57 0.40 -0.89 1.13 4.15 0.78 -1.44 115.11 119.81 3gjx h GLN 81 Ca 0.14 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.55 3gjx h GLN 81 Cb 0.09 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 3gjx h GLN 81 CO -0.02 0.42 0.56 0.97 -1.93 0.00 0.00 178.83 178.84 3gjx h ILE 82 N 0.28 1.08 -0.26 2.39 6.09 -0.61 -2.33 117.51 124.15 3gjx h ILE 82 Ca 0.09 -0.36 -0.10 0.00 -1.37 0.00 0.00 64.86 63.12 3gjx h ILE 82 Cb 0.17 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.39 3gjx h ILE 82 CO -0.01 0.19 -0.26 0.25 -3.07 0.00 0.00 178.15 175.25 3gjx h LEU 83 N 1.05 0.52 -0.52 2.19 5.85 -1.08 -3.11 115.31 120.20 3gjx h LEU 83 Ca 0.38 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3gjx h LEU 83 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3gjx h LEU 83 CO -0.16 0.77 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.52 3gjx h GLU 84 N 0.45 1.00 -0.55 1.25 4.81 -0.71 -1.88 114.58 118.96 3gjx h GLU 84 Ca 0.06 -0.38 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3gjx h GLU 84 Cb 0.69 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 3gjx h GLU 84 CO 0.05 1.06 0.15 -0.97 -0.73 0.00 0.00 179.01 178.57 3gjx h ASN 85 N 0.87 0.09 0.39 1.04 -0.73 -1.46 -1.63 115.58 114.15 3gjx h ASN 85 Ca 0.13 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 3gjx h ASN 85 Cb 0.68 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 3gjx h ASN 85 CO 0.05 0.07 -0.37 0.58 -0.37 0.00 0.00 177.43 177.38 3gjx h VAL 86 N 0.30 0.24 -0.68 2.57 2.07 -1.34 -1.96 116.25 117.45 3gjx h VAL 86 Ca 0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.85 3gjx h VAL 86 Cb 0.37 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3gjx h VAL 86 CO -0.33 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.11 3gjx h ILE 87 N -0.78 1.06 0.00 4.57 2.04 -1.17 0.43 117.51 123.65 3gjx h ILE 87 Ca -0.03 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3gjx h ILE 87 Cb 0.70 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3gjx h ILE 87 CO -0.05 0.14 -0.30 0.29 0.00 0.00 0.00 178.15 178.22 3gjx n LYS 88 N -4.47 0.05 0.00 2.37 5.02 -0.63 -3.60 118.16 116.91 3gjx n LYS 88 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3gjx n LYS 88 Cb 0.18 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3gjx n LYS 88 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gjx n THR 89 N -1.62 0.00 0.56 -0.18 -2.24 -0.76 -4.75 114.28 105.29 3gjx n THR 89 Ca 0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3gjx n THR 89 Cb 0.36 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 3gjx n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gjx n ARG 90 N -2.04 2.43 -0.29 -0.78 5.12 0.15 -1.96 116.66 119.29 3gjx n ARG 90 Ca 0.00 -0.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.96 3gjx n ARG 90 Cb 0.40 -1.14 0.15 0.00 -1.16 0.00 0.00 32.46 30.71 3gjx n ARG 90 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 3gjx h TRP 91 N 0.00 -0.25 -0.09 -1.55 2.91 -1.57 -0.47 115.95 114.93 3gjx h TRP 91 Ca 0.00 0.07 -0.08 0.00 1.13 0.00 0.00 58.89 60.00 3gjx h TRP 91 Cb 0.34 0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 3gjx h TRP 91 CO 0.00 -0.33 -0.33 0.87 -1.03 0.00 0.00 178.44 177.62 3gjx h LYS 92 N 0.04 0.18 -0.49 2.65 1.79 -1.83 -2.51 116.57 116.39 3gjx h LYS 92 Ca 0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3gjx h LYS 92 Cb 0.75 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3gjx h LYS 92 CO -0.81 0.49 0.00 0.44 -1.08 0.00 0.00 179.45 178.50 3gjx n ILE 93 N -4.11 0.64 -2.84 1.86 -5.35 -0.28 -4.86 119.36 104.42 3gjx n ILE 93 Ca -0.01 -0.78 -0.40 0.00 -0.27 0.00 0.00 62.75 61.28 3gjx n ILE 93 Cb 0.41 0.73 -0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3gjx n ILE 93 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gjx s LEU 94 N -1.30 4.55 0.22 7.28 1.43 -0.62 -5.01 118.68 125.24 3gjx s LEU 94 Ca 0.41 1.73 -0.31 0.00 -1.03 0.00 0.00 54.13 54.93 3gjx s LEU 94 Cb 0.23 -3.45 -0.14 0.00 0.03 0.00 0.00 46.19 42.85 3gjx s LEU 94 CO 0.31 0.08 1.25 -0.81 0.23 0.00 0.00 176.35 177.41 3gjx n PRO 95 N 2.17 1.60 -0.13 1.29 -0.04 -1.26 -4.75 135.00 133.88 3gjx n PRO 95 Ca -0.02 0.57 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3gjx n PRO 95 Cb 0.49 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 3gjx n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gjx h ARG 96 N 3.50 -0.27 -0.39 0.54 -0.00 -1.95 0.25 114.38 116.06 3gjx h ARG 96 Ca -0.44 0.02 0.11 0.00 -0.50 0.00 0.00 59.98 59.18 3gjx h ARG 96 Cb 1.31 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 31.33 3gjx h ARG 96 CO 0.71 -0.18 0.47 -2.95 0.00 0.00 0.00 179.97 178.02 3gjx h ASN 97 N -0.28 0.00 0.38 7.04 7.08 -1.99 0.12 115.58 127.92 3gjx h ASN 97 Ca 0.16 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.06 3gjx h ASN 97 Cb 0.57 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.83 3gjx h ASN 97 CO -0.58 0.00 -1.44 -0.61 -2.08 0.00 0.00 177.43 172.72 3gjx h GLN 98 N 0.00 0.43 0.98 4.14 5.75 -0.87 -2.56 115.11 122.98 3gjx h GLN 98 Ca 0.18 -0.74 -0.05 0.00 -0.15 0.00 0.00 58.65 57.90 3gjx h GLN 98 Cb 1.13 0.28 0.01 0.00 1.07 0.00 0.00 27.48 29.96 3gjx h GLN 98 CO -0.00 1.35 -0.47 0.00 -2.65 0.00 0.00 178.83 177.06 3gjx h GLU 100 N -1.32 -0.07 -0.24 0.00 4.39 -1.32 0.70 114.58 116.72 3gjx h GLU 100 Ca -0.13 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gjx h GLU 100 Cb 1.01 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.62 3gjx h GLU 100 CO 0.22 -0.04 -0.13 0.78 -1.16 0.00 0.00 179.01 178.68 3gjx h GLY 101 N -0.07 0.06 0.99 -3.84 0.00 -1.32 0.37 103.07 99.26 3gjx h GLY 101 Ca 0.27 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 3gjx h GLY 101 CO -0.63 -0.14 0.24 -2.22 0.00 0.00 0.00 176.54 173.78 3gjx h ILE 102 N -0.11 1.22 -0.65 2.60 2.04 -0.46 0.29 117.51 122.44 3gjx h ILE 102 Ca 0.13 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.41 3gjx h ILE 102 Cb 0.30 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3gjx h ILE 102 CO -0.30 0.27 0.25 0.50 0.00 0.00 0.00 178.15 178.87 3gjx h LYS 103 N 0.79 0.42 0.00 2.37 3.64 0.15 0.16 116.57 124.09 3gjx h LYS 103 Ca 0.19 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.32 3gjx h LYS 103 Cb 0.19 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3gjx h LYS 103 CO -0.02 0.28 -1.23 0.87 -2.27 0.00 0.00 179.45 177.08 3gjx h LYS 104 N 0.43 0.00 -0.71 1.90 6.56 -0.09 -3.06 116.57 121.60 3gjx h LYS 104 Ca 0.34 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.88 3gjx h LYS 104 Cb 0.43 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 3gjx h LYS 104 CO -0.33 0.73 0.25 -0.92 -2.06 0.00 0.00 179.45 177.12 3gjx h TYR 105 N 0.00 1.11 -0.11 -1.35 3.20 0.18 -1.54 116.97 118.48 3gjx h TYR 105 Ca -0.12 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 3gjx h TYR 105 Cb 1.81 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 3gjx h TYR 105 CO 0.00 0.87 -0.02 0.28 -1.64 0.00 0.00 178.16 177.66 3gjx h VAL 106 N 1.03 1.28 -0.91 1.81 2.07 -0.77 -1.33 116.25 119.43 3gjx h VAL 106 Ca 0.23 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3gjx h VAL 106 Cb 0.26 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3gjx h VAL 106 CO -0.01 0.26 0.60 -0.37 0.02 0.00 0.00 177.57 178.07 3gjx h VAL 107 N -0.11 1.23 -0.02 2.57 -1.51 -1.50 -1.60 116.25 115.31 3gjx h VAL 107 Ca 0.03 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3gjx h VAL 107 Cb 0.41 -0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.46 3gjx h VAL 107 CO 0.01 0.22 0.01 1.23 -1.23 0.00 0.00 177.57 177.82 3gjx h GLY 108 N 1.23 0.03 0.21 5.19 0.00 -1.24 -1.53 103.07 106.96 3gjx h GLY 108 Ca 0.33 -0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.80 3gjx h GLY 108 CO -0.07 0.01 0.41 1.41 0.00 0.00 0.00 176.54 178.30 3gjx h LEU 109 N 0.02 0.48 0.06 3.11 3.38 -0.68 -2.32 115.31 119.36 3gjx h LEU 109 Ca 0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gjx h LEU 109 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gjx h LEU 109 CO -0.00 0.20 -0.03 0.40 0.09 0.00 0.00 178.44 179.10 3gjx h ILE 110 N 0.59 1.17 -0.40 1.22 2.04 -1.03 -2.54 117.51 118.57 3gjx h ILE 110 Ca 0.45 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3gjx h ILE 110 Cb 0.65 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3gjx h ILE 110 CO -0.37 0.20 -0.24 -0.38 0.00 0.00 0.00 178.15 177.36 3gjx n ILE 111 N -4.96 -0.27 -0.12 -0.67 2.08 -0.60 -1.31 119.36 113.51 3gjx n ILE 111 Ca -0.08 1.81 -0.09 0.00 0.56 0.00 0.00 62.75 64.95 3gjx n ILE 111 Cb 0.21 -2.32 0.06 0.00 -0.75 0.00 0.00 39.64 36.84 3gjx n ILE 111 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 3gjx h LYS 112 N 0.00 0.87 -0.68 0.38 2.10 -1.53 -1.65 116.57 116.05 3gjx h LYS 112 Ca 0.06 -0.34 -0.07 0.00 -2.00 0.00 0.00 60.65 58.30 3gjx h LYS 112 Cb 0.16 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 3gjx h LYS 112 CO -0.38 0.98 0.13 1.79 -2.00 0.00 0.00 179.45 179.97 3gjx h THR 113 N 0.76 1.26 0.00 0.07 1.35 -1.08 -2.79 112.91 112.48 3gjx h THR 113 Ca 0.11 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 3gjx h THR 113 Cb 0.71 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3gjx h THR 113 CO 0.05 0.38 -0.32 0.28 -0.25 0.00 0.00 175.52 175.67 3gjx h SER 114 N 1.04 0.00 -0.11 5.36 0.02 -1.14 -3.27 113.55 115.45 3gjx h SER 114 Ca 0.21 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3gjx h SER 114 Cb 0.41 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3gjx h SER 114 CO 0.01 0.04 0.07 -1.20 -1.14 0.00 0.00 176.83 174.61 3gjx n SER 115 N -2.99 3.04 -3.90 3.07 7.64 -0.63 -4.73 113.62 115.12 3gjx n SER 115 Ca 0.03 -2.18 -0.28 0.00 1.01 0.00 0.00 58.87 57.45 3gjx n SER 115 Cb 0.55 -0.54 -0.17 0.00 -1.01 0.00 0.00 64.21 63.05 3gjx n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gjx s ASP 116 N 0.71 2.53 0.65 6.43 3.68 -1.23 -5.00 116.67 124.44 3gjx s ASP 116 Ca 0.07 -0.49 0.43 0.00 2.13 0.00 0.00 52.55 54.68 3gjx s ASP 116 Cb 0.05 -0.88 2.30 0.00 -1.45 0.00 0.00 42.92 42.94 3gjx s ASP 116 CO 0.01 -0.15 2.33 -0.65 0.13 0.00 0.00 175.17 176.84 3gjx h PRO 117 N 8.14 0.00 -0.41 4.34 0.11 -1.91 0.14 132.00 142.43 3gjx h PRO 117 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gjx h PRO 117 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gjx h PRO 117 CO 0.41 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.45 3gjx n THR 118 N -3.13 0.54 0.51 -1.15 -2.24 -1.26 -3.85 114.28 103.69 3gjx n THR 118 Ca -0.03 -0.55 0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3gjx n THR 118 Cb 0.09 0.29 0.37 0.00 -2.10 0.00 0.00 70.33 68.99 3gjx n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx h VAL 120 N 0.00 1.30 0.16 0.00 -1.51 -1.78 -3.28 116.25 111.14 3gjx h VAL 120 Ca 0.00 -1.98 -0.34 0.00 -1.23 0.00 0.00 66.70 63.16 3gjx h VAL 120 Cb 0.30 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3gjx h VAL 120 CO 0.00 0.62 -1.67 -0.08 -1.23 0.00 0.00 177.57 175.21 3gjx h GLU 121 N 0.49 0.34 -6.72 5.19 4.81 -1.82 -3.42 114.58 113.46 3gjx h GLU 121 Ca -0.04 -0.58 -0.56 0.00 -0.13 0.00 0.00 59.36 58.05 3gjx h GLU 121 Cb 1.35 0.22 0.09 0.00 0.63 0.00 0.00 28.75 31.03 3gjx h GLU 121 CO 0.15 1.24 0.70 1.17 -0.73 0.00 0.00 179.01 181.53 3gjx n LYS 122 N -3.53 2.34 -2.66 1.92 4.81 -0.91 -4.92 118.16 115.20 3gjx n LYS 122 Ca -0.22 0.83 -0.38 0.00 -0.87 0.00 0.00 58.31 57.67 3gjx n LYS 122 Cb 1.07 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.54 3gjx n LYS 122 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3gjx s GLU 123 N -0.84 4.57 0.61 1.64 0.41 -1.26 -4.75 118.70 119.07 3gjx s GLU 123 Ca 0.63 1.50 0.28 0.00 -0.41 0.00 0.00 54.97 56.97 3gjx s GLU 123 Cb -0.57 -2.93 1.45 0.00 -1.78 0.00 0.00 34.13 30.31 3gjx s GLU 123 CO 0.53 0.23 1.86 0.87 -0.49 0.00 0.00 175.26 178.25 3gjx h LYS 124 N 3.37 0.00 -0.82 1.61 6.56 -1.85 -0.51 116.57 124.92 3gjx h LYS 124 Ca -0.47 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.30 3gjx h LYS 124 Cb 1.20 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.71 3gjx h LYS 124 CO 0.65 0.00 -0.16 0.28 -2.06 0.00 0.00 179.45 178.16 3gjx h VAL 125 N 0.00 0.19 -0.09 0.50 2.07 -1.97 2.06 116.25 119.01 3gjx h VAL 125 Ca 0.18 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 3gjx h VAL 125 Cb 1.17 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3gjx h VAL 125 CO -0.00 0.00 -0.26 0.22 0.02 0.00 0.00 177.57 177.56 3gjx h TYR 126 N 0.01 0.42 -0.26 1.57 3.20 -1.46 -2.43 116.97 118.03 3gjx h TYR 126 Ca 0.41 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3gjx h TYR 126 Cb 0.66 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3gjx h TYR 126 CO -0.60 0.87 0.02 0.82 -1.64 0.00 0.00 178.16 177.63 3gjx h ILE 127 N -0.15 1.24 -0.34 1.81 5.03 -1.22 0.16 117.51 124.05 3gjx h ILE 127 Ca -0.01 -0.85 -0.01 0.00 -0.12 0.00 0.00 64.86 63.87 3gjx h ILE 127 Cb 0.88 1.30 -0.02 0.00 -3.03 0.00 0.00 36.82 35.95 3gjx h ILE 127 CO 0.05 0.27 0.18 1.23 -0.68 0.00 0.00 178.15 179.20 3gjx h GLY 128 N 0.23 0.51 0.85 5.37 0.00 0.32 0.69 103.07 111.04 3gjx h GLY 128 Ca 0.08 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3gjx h GLY 128 CO 0.01 0.23 0.10 1.70 0.00 0.00 0.00 176.54 178.58 3gjx h LYS 129 N 0.42 0.22 -0.47 4.80 1.63 -1.34 0.19 116.57 122.00 3gjx h LYS 129 Ca 0.12 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.00 3gjx h LYS 129 Cb 0.08 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.57 3gjx h LYS 129 CO -0.02 0.14 -0.07 1.25 -3.45 0.00 0.00 179.45 177.31 3gjx h LEU 130 N 0.22 -0.34 -0.31 5.20 5.85 -0.61 -0.75 115.31 124.57 3gjx h LEU 130 Ca 0.10 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3gjx h LEU 130 Cb 0.05 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3gjx h LEU 130 CO -0.09 -0.12 0.15 0.78 -0.34 0.00 0.00 178.44 178.82 3gjx h ASN 131 N 0.04 0.22 -0.25 1.25 2.35 0.18 -1.31 115.58 118.06 3gjx h ASN 131 Ca 0.23 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.07 3gjx h ASN 131 Cb 0.36 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3gjx h ASN 131 CO -0.45 0.16 0.18 0.24 -1.65 0.00 0.00 177.43 175.92 3gjx h MET 132 N 0.31 0.00 -0.24 0.81 2.86 0.04 -0.47 114.93 118.24 3gjx h MET 132 Ca 0.13 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3gjx h MET 132 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3gjx h MET 132 CO -0.09 0.00 -0.14 0.82 1.06 0.00 0.00 176.91 178.55 3gjx h ILE 133 N 0.00 1.31 -0.68 -1.22 2.04 -0.02 -0.21 117.51 118.72 3gjx h ILE 133 Ca 0.12 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.75 3gjx h ILE 133 Cb 0.49 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3gjx h ILE 133 CO -0.00 0.39 0.44 0.25 0.00 0.00 0.00 178.15 179.23 3gjx h LEU 134 N 0.24 0.74 -1.04 1.44 5.85 -0.76 -0.93 115.31 120.85 3gjx h LEU 134 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gjx h LEU 134 Cb 0.66 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3gjx h LEU 134 CO 0.04 0.53 0.65 0.58 -0.34 0.00 0.00 178.44 179.90 3gjx h VAL 135 N 0.88 1.22 -0.21 1.05 2.07 -0.94 0.49 116.25 120.81 3gjx h VAL 135 Ca 0.26 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gjx h VAL 135 Cb -0.05 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.51 3gjx h VAL 135 CO -0.08 0.24 0.07 1.56 0.02 0.00 0.00 177.57 179.38 3gjx h GLN 136 N 1.29 0.17 0.24 1.57 1.08 -0.22 0.25 115.11 119.48 3gjx h GLN 136 Ca 0.37 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 3gjx h GLN 136 Cb -0.09 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3gjx h GLN 136 CO -0.09 0.11 -0.11 0.82 -0.95 0.00 0.00 178.83 178.60 3gjx h ILE 137 N 0.17 0.79 -0.96 2.54 2.04 -0.18 -2.19 117.51 119.72 3gjx h ILE 137 Ca 0.09 -0.09 0.25 0.00 1.00 0.00 0.00 64.86 66.11 3gjx h ILE 137 Cb 0.06 0.84 -0.13 0.00 -0.74 0.00 0.00 36.82 36.85 3gjx h ILE 137 CO -0.10 0.02 0.50 -0.07 0.00 0.00 0.00 178.15 178.50 3gjx h LEU 138 N -0.36 0.49 -1.55 1.44 3.38 0.20 0.27 115.31 119.18 3gjx h LEU 138 Ca -0.03 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3gjx h LEU 138 Cb 0.28 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3gjx h LEU 138 CO 0.05 0.02 -0.21 0.11 0.09 0.00 0.00 178.44 178.50 3gjx h LYS 139 N 0.46 0.03 0.00 1.13 1.57 0.11 0.70 116.57 120.57 3gjx h LYS 139 Ca 0.62 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3gjx h LYS 139 Cb 1.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3gjx h LYS 139 CO -0.52 0.23 -0.66 1.04 -0.57 0.00 0.00 179.45 178.98 3gjx n GLN 140 N -4.28 0.01 -0.10 3.15 1.13 0.85 -4.59 117.38 113.55 3gjx n GLN 140 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3gjx n GLN 140 Cb 0.27 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3gjx n GLN 140 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3gjx n GLU 141 N -1.52 0.00 0.14 -1.09 1.02 -0.68 -5.02 120.64 113.49 3gjx n GLU 141 Ca 0.05 -0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 3gjx n GLU 141 Cb 0.34 -0.12 -0.07 0.00 -0.02 0.00 0.00 31.44 31.57 3gjx n GLU 141 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gjx h TRP 142 N 0.00 -0.99 0.06 -0.32 7.01 0.21 -2.81 115.95 119.11 3gjx h TRP 142 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3gjx h TRP 142 Cb 1.02 0.41 0.00 0.00 -2.10 0.00 0.00 29.16 28.49 3gjx h TRP 142 CO -0.04 -0.47 -0.03 -1.35 -2.79 0.00 0.00 178.44 173.76 3gjx h PRO 143 N -0.62 -0.08 -0.15 2.65 0.11 -1.83 -3.18 132.00 128.90 3gjx h PRO 143 Ca 0.02 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.17 3gjx h PRO 143 Cb 0.63 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 3gjx h PRO 143 CO -0.18 0.20 -0.45 1.57 -0.21 0.00 0.00 178.00 178.92 3gjx h LYS 144 N -1.00 -0.49 -0.14 1.05 2.10 -1.97 -3.08 116.57 113.05 3gjx h LYS 144 Ca -0.01 0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 3gjx h LYS 144 Cb 0.32 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 3gjx h LYS 144 CO 0.01 -0.33 -0.22 1.58 -2.00 0.00 0.00 179.45 178.50 3gjx n HIS 145 N -5.44 0.44 -2.72 0.07 -0.00 -1.07 -4.58 115.22 101.92 3gjx n HIS 145 Ca -0.04 -1.37 -0.05 0.00 0.46 0.00 0.00 57.72 56.71 3gjx n HIS 145 Cb 0.37 -0.31 0.06 0.00 -0.12 0.00 0.00 29.99 29.98 3gjx n HIS 145 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 3gjx n TRP 146 N -1.12 0.32 0.02 1.57 -0.00 -1.17 -4.99 117.44 112.07 3gjx n TRP 146 Ca 0.23 -2.34 0.03 0.00 -0.00 0.00 0.00 57.50 55.41 3gjx n TRP 146 Cb 0.81 0.16 0.39 0.00 -0.00 0.00 0.00 31.31 32.67 3gjx n TRP 146 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3gjx h PRO 147 N 2.52 0.49 0.00 5.87 0.11 -1.68 -2.28 132.00 137.04 3gjx h PRO 147 Ca -0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gjx h PRO 147 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gjx h PRO 147 CO 0.24 0.41 -0.39 0.25 -0.21 0.00 0.00 178.00 178.31 3gjx n THR 148 N -4.39 0.35 -0.39 -1.15 -2.24 -1.26 -4.54 114.28 100.65 3gjx n THR 148 Ca 0.02 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 3gjx n THR 148 Cb 0.14 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 3gjx n THR 148 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3gjx n PHE 149 N -2.03 -0.39 -0.20 4.78 7.35 -0.86 -0.80 117.46 125.32 3gjx n PHE 149 Ca 0.04 1.18 -0.09 0.00 -0.76 0.00 0.00 57.45 57.82 3gjx n PHE 149 Cb 0.42 -0.59 0.02 0.00 0.35 0.00 0.00 39.48 39.67 3gjx n PHE 149 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3gjx h ILE 150 N 0.00 1.26 0.09 -2.13 6.09 -1.82 -1.27 117.51 119.73 3gjx h ILE 150 Ca 0.16 -1.02 0.02 0.00 -1.37 0.00 0.00 64.86 62.65 3gjx h ILE 150 Cb 0.40 0.82 -0.03 0.00 0.47 0.00 0.00 36.82 38.47 3gjx h ILE 150 CO -0.89 0.37 -0.19 0.28 -3.07 0.00 0.00 178.15 174.65 3gjx h SER 151 N 0.84 -0.55 -0.31 2.19 0.02 -1.66 -3.08 113.55 111.00 3gjx h SER 151 Ca 0.17 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 3gjx h SER 151 Cb 0.45 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.12 3gjx h SER 151 CO 0.02 -0.27 -0.34 0.44 -1.14 0.00 0.00 176.83 175.53 3gjx h ASP 152 N -0.36 -1.11 -0.55 3.07 3.32 -0.16 -1.93 116.42 118.71 3gjx h ASP 152 Ca 0.03 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3gjx h ASP 152 Cb 0.39 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3gjx h ASP 152 CO -0.12 -0.34 0.11 0.16 -1.72 0.00 0.00 179.24 177.33 3gjx h ILE 153 N -0.31 1.25 -0.92 0.35 3.07 -1.29 0.21 117.51 119.87 3gjx h ILE 153 Ca 0.14 -0.92 0.08 0.00 1.55 0.00 0.00 64.86 65.71 3gjx h ILE 153 Cb 0.55 0.78 -0.07 0.00 -0.27 0.00 0.00 36.82 37.81 3gjx h ILE 153 CO -0.48 0.34 0.57 0.58 -1.05 0.00 0.00 178.15 178.11 3gjx h VAL 154 N 0.80 1.01 0.33 0.16 2.07 -1.41 0.43 116.25 119.64 3gjx h VAL 154 Ca 0.17 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3gjx h VAL 154 Cb 0.38 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3gjx h VAL 154 CO 0.01 0.18 -0.16 1.23 0.02 0.00 0.00 177.57 178.85 3gjx h GLY 155 N 1.00 -0.46 0.57 2.17 0.00 -0.45 -2.52 103.07 103.38 3gjx h GLY 155 Ca 0.42 0.17 0.11 0.00 0.00 0.00 0.00 47.33 48.03 3gjx h GLY 155 CO -0.20 -0.17 0.62 0.00 0.00 0.00 0.00 176.54 176.79 3gjx h ALA 156 N 0.14 1.56 0.00 3.60 0.00 0.31 -0.18 119.26 124.68 3gjx h ALA 156 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gjx h ALA 156 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gjx h ALA 156 CO 0.07 0.23 -0.10 0.77 0.00 0.00 0.00 179.25 180.22 3gjx h SER 157 N 0.97 0.00 0.97 0.00 0.02 0.06 -1.53 113.55 114.05 3gjx h SER 157 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3gjx h SER 157 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3gjx h SER 157 CO -0.23 0.10 -0.12 0.54 -1.14 0.00 0.00 176.83 175.98 3gjx n ARG 158 N -4.35 0.05 -0.10 3.45 1.74 -0.10 -4.10 116.66 113.25 3gjx n ARG 158 Ca -0.03 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 3gjx n ARG 158 Cb 0.18 -1.55 -0.07 0.00 -1.02 0.00 0.00 32.46 30.00 3gjx n ARG 158 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3gjx n THR 159 N -1.64 1.50 -4.37 0.55 -1.04 -0.64 -4.94 114.28 103.70 3gjx n THR 159 Ca 0.06 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.70 3gjx n THR 159 Cb 0.36 -2.15 -0.14 0.00 -1.82 0.00 0.00 70.33 66.57 3gjx n THR 159 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3gjx s SER 160 N -6.55 4.06 0.22 8.00 0.15 -0.81 -4.99 113.70 113.78 3gjx s SER 160 Ca -0.29 -0.38 -0.09 0.00 0.70 0.00 0.00 55.95 55.90 3gjx s SER 160 Cb 0.07 -1.65 0.21 0.00 -1.71 0.00 0.00 66.02 62.94 3gjx s SER 160 CO 0.44 0.08 1.88 -0.08 1.20 0.00 0.00 173.24 176.75 3gjx h GLU 161 N 7.36 1.00 -0.62 5.44 4.81 -1.87 0.21 114.58 130.91 3gjx h GLU 161 Ca -0.34 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 3gjx h GLU 161 Cb 1.18 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3gjx h GLU 161 CO 0.59 0.66 0.37 0.77 -0.73 0.00 0.00 179.01 180.67 3gjx h SER 162 N 1.03 0.76 0.17 1.04 0.02 -1.94 0.21 113.55 114.84 3gjx h SER 162 Ca 0.31 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3gjx h SER 162 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3gjx h SER 162 CO -0.09 0.61 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.69 3gjx h LEU 163 N 0.85 0.36 -0.39 5.07 3.38 -1.70 -2.78 115.31 120.09 3gjx h LEU 163 Ca 0.22 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3gjx h LEU 163 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gjx h LEU 163 CO -0.04 0.75 -0.00 0.00 0.09 0.00 0.00 178.44 179.24 3gjx h GLN 165 N 0.52 -0.61 -0.42 0.00 5.75 -0.43 -1.88 115.11 118.03 3gjx h GLN 165 Ca 0.11 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3gjx h GLN 165 Cb 0.47 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3gjx h GLN 165 CO 0.02 -0.40 0.13 -0.97 -2.65 0.00 0.00 178.83 174.96 3gjx h ASN 166 N -0.63 0.56 -0.62 -0.69 -0.00 -1.53 -2.77 115.58 109.90 3gjx h ASN 166 Ca -0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 56.30 56.20 3gjx h ASN 166 Cb 0.64 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.79 3gjx h ASN 166 CO -0.25 0.54 0.27 0.78 -0.00 0.00 0.00 177.43 178.76 3gjx h ASN 167 N 0.60 0.84 -0.27 1.15 2.35 -1.13 -0.16 115.58 118.97 3gjx h ASN 167 Ca 0.14 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3gjx h ASN 167 Cb 0.18 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gjx h ASN 167 CO -0.01 0.76 0.19 0.24 -1.65 0.00 0.00 177.43 176.96 3gjx h MET 168 N 0.86 0.12 -0.16 0.81 2.86 -1.06 0.19 114.93 118.55 3gjx h MET 168 Ca 0.21 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3gjx h MET 168 Cb 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3gjx h MET 168 CO -0.02 0.08 -0.23 0.28 1.06 0.00 0.00 176.91 178.07 3gjx h VAL 169 N 0.12 1.35 -0.51 -2.22 2.07 -1.13 -2.90 116.25 113.04 3gjx h VAL 169 Ca 0.12 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3gjx h VAL 169 Cb 0.33 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3gjx h VAL 169 CO -0.01 0.43 0.23 0.40 0.02 0.00 0.00 177.57 178.64 3gjx h ILE 170 N 0.08 1.20 0.00 4.57 2.04 0.59 -2.15 117.51 123.84 3gjx h ILE 170 Ca 0.02 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3gjx h ILE 170 Cb 0.80 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3gjx h ILE 170 CO 0.05 0.23 -0.12 -0.07 0.00 0.00 0.00 178.15 178.25 3gjx h LEU 171 N 0.67 0.00 -0.02 1.44 3.38 -0.76 -0.32 115.31 119.71 3gjx h LEU 171 Ca 0.17 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 3gjx h LEU 171 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gjx h LEU 171 CO -0.02 0.12 -1.05 0.50 0.09 0.00 0.00 178.44 178.08 3gjx h LYS 172 N 0.00 0.65 -0.14 1.13 3.64 -1.23 -2.36 116.57 118.25 3gjx h LYS 172 Ca -0.00 -0.72 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 3gjx h LYS 172 Cb 0.26 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3gjx h LYS 172 CO 0.02 1.30 0.05 -0.07 -2.27 0.00 0.00 179.45 178.48 3gjx h LEU 173 N 0.36 0.21 -0.31 5.20 3.38 -0.80 -2.09 115.31 121.26 3gjx h LEU 173 Ca -0.13 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3gjx h LEU 173 Cb 1.70 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 3gjx h LEU 173 CO 0.20 0.33 -0.10 0.25 0.09 0.00 0.00 178.44 179.21 3gjx h LEU 174 N 0.07 -0.36 -1.18 1.67 5.85 -1.13 -0.93 115.31 119.29 3gjx h LEU 174 Ca 0.05 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3gjx h LEU 174 Cb 0.20 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3gjx h LEU 174 CO -0.00 -0.13 0.58 0.28 -0.34 0.00 0.00 178.44 178.83 3gjx h SER 175 N -0.04 0.82 -0.31 1.25 0.02 -1.32 -0.44 113.55 113.54 3gjx h SER 175 Ca 0.15 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 3gjx h SER 175 Cb 0.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3gjx h SER 175 CO -0.34 0.48 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.24 3gjx h GLU 176 N 0.91 0.71 0.00 3.45 5.08 -0.58 -0.47 114.58 123.68 3gjx h GLU 176 Ca 0.42 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3gjx h GLU 176 Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3gjx h GLU 176 CO -0.18 0.98 -0.63 0.93 -1.00 0.00 0.00 179.01 179.10 3gjx h GLU 177 N 0.47 0.00 0.01 2.33 4.39 -0.68 0.85 114.58 121.94 3gjx h GLU 177 Ca 0.05 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.45 3gjx h GLU 177 Cb 0.82 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 3gjx h GLU 177 CO 0.07 0.63 -1.78 0.28 -1.16 0.00 0.00 179.01 177.05 3gjx n VAL 178 N -3.69 1.61 -0.00 3.13 0.31 -0.22 -2.10 118.33 117.37 3gjx n VAL 178 Ca -0.01 -0.79 -0.01 0.00 -0.01 0.00 0.00 64.34 63.52 3gjx n VAL 178 Cb 0.65 -1.06 -0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3gjx n VAL 178 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gjx n PHE 179 N -3.06 0.00 -0.33 3.52 3.72 -0.19 -4.46 117.46 116.66 3gjx n PHE 179 Ca -0.19 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.22 3gjx n PHE 179 Cb 1.06 -0.07 0.15 0.00 -0.94 0.00 0.00 39.48 39.68 3gjx n PHE 179 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gjx h ASP 180 N -0.14 0.90 0.00 4.37 3.32 -1.38 -3.29 116.42 120.21 3gjx h ASP 180 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gjx h ASP 180 Cb 0.14 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3gjx h ASP 180 CO 0.00 0.58 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 3gjx n PHE 181 N -4.58 0.00 -0.30 4.55 3.72 0.29 -4.75 117.46 116.39 3gjx n PHE 181 Ca 0.13 -0.27 0.06 0.00 -0.05 0.00 0.00 57.45 57.32 3gjx n PHE 181 Cb 0.17 -0.03 0.21 0.00 -0.94 0.00 0.00 39.48 38.89 3gjx n PHE 181 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gjx h SER 182 N 0.00 0.62 -2.34 4.37 4.64 -1.49 -3.37 113.55 115.97 3gjx h SER 182 Ca 0.00 0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.85 3gjx h SER 182 Cb 0.29 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3gjx h SER 182 CO 0.00 0.30 1.25 -0.44 -0.87 0.00 0.00 176.83 177.08 3gjx s SER 183 N -5.51 6.35 0.00 4.97 0.01 -1.26 -0.70 113.70 117.56 3gjx s SER 183 Ca -0.12 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.70 3gjx s SER 183 Cb 0.21 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3gjx s SER 183 CO 0.78 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.89 3gjx n GLY 184 N 4.66 3.10 0.01 3.44 0.00 -1.26 -4.79 105.19 110.34 3gjx n GLY 184 Ca 0.21 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3gjx n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gjx n GLN 185 N 0.00 0.13 -4.18 1.61 10.64 -0.77 -4.76 117.38 120.05 3gjx n GLN 185 Ca 0.00 -0.02 -0.16 0.00 -1.83 0.00 0.00 57.00 54.99 3gjx n GLN 185 Cb 0.00 -1.52 -0.14 0.00 -0.86 0.00 0.00 30.24 27.72 3gjx n GLN 185 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3gjx s ILE 186 N -3.09 0.46 0.57 -0.39 1.01 0.12 -5.00 121.20 114.88 3gjx s ILE 186 Ca 0.06 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 3gjx s ILE 186 Cb 0.16 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 3gjx s ILE 186 CO 0.83 0.08 1.16 0.28 0.00 0.00 0.00 174.94 177.29 3gjx s THR 187 N -0.25 2.93 0.26 2.92 -1.32 -1.26 -4.69 115.64 114.25 3gjx s THR 187 Ca 0.01 0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 61.05 3gjx s THR 187 Cb -0.03 -3.22 0.25 0.00 -1.51 0.00 0.00 72.50 67.99 3gjx s THR 187 CO -0.00 -0.13 1.82 1.56 -2.21 0.00 0.00 174.62 175.65 3gjx h GLN 188 N 1.01 0.85 -0.00 7.08 4.20 -1.94 -1.56 115.11 124.75 3gjx h GLN 188 Ca -0.50 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.00 3gjx h GLN 188 Cb 1.28 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 3gjx h GLN 188 CO 0.56 0.56 -0.77 -0.39 -0.67 0.00 0.00 178.83 178.13 3gjx h VAL 189 N 0.88 1.54 -0.14 -0.54 -1.51 -1.96 -2.01 116.25 112.51 3gjx h VAL 189 Ca 0.45 -2.60 -0.12 0.00 -1.23 0.00 0.00 66.70 63.21 3gjx h VAL 189 Cb 0.45 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 3gjx h VAL 189 CO -0.27 0.74 -0.37 0.50 -1.23 0.00 0.00 177.57 176.95 3gjx h LYS 190 N 0.01 0.50 0.04 5.19 3.64 -1.71 -2.58 116.57 121.66 3gjx h LYS 190 Ca -0.01 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3gjx h LYS 190 Cb 1.36 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3gjx h LYS 190 CO 0.10 0.96 -0.20 0.00 -2.27 0.00 0.00 179.45 178.05 3gjx h ALA 191 N 0.54 -0.28 -0.83 5.00 0.00 -1.34 0.12 119.26 122.46 3gjx h ALA 191 Ca -0.01 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 3gjx h ALA 191 Cb 0.98 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 3gjx h ALA 191 CO 0.08 -0.70 0.29 -0.22 0.00 0.00 0.00 179.25 178.69 3gjx h LYS 192 N -0.34 0.33 -0.25 0.00 1.63 -1.36 1.13 116.57 117.71 3gjx h LYS 192 Ca 0.05 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 3gjx h LYS 192 Cb 0.39 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3gjx h LYS 192 CO -0.16 0.22 -0.25 1.25 -3.45 0.00 0.00 179.45 177.06 3gjx h HIS 193 N 0.34 0.73 -0.20 1.91 2.76 -1.02 -1.64 115.15 118.03 3gjx h HIS 193 Ca 0.49 -0.22 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 3gjx h HIS 193 Cb 0.90 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 3gjx h HIS 193 CO -0.20 0.93 -0.26 -0.07 -1.30 0.00 0.00 177.93 177.03 3gjx h LEU 194 N 0.32 0.37 0.32 0.26 4.07 0.08 -1.49 115.31 119.24 3gjx h LEU 194 Ca 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 3gjx h LEU 194 Cb 0.81 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3gjx h LEU 194 CO 0.06 0.64 -0.15 0.50 -1.08 0.00 0.00 178.44 178.41 3gjx h LYS 195 N 0.33 -0.41 0.00 1.13 3.11 0.15 -2.09 116.57 118.80 3gjx h LYS 195 Ca 0.05 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 3gjx h LYS 195 Cb 0.64 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 3gjx h LYS 195 CO 0.05 -0.27 0.00 -0.40 -2.81 0.00 0.00 179.45 176.01 3gjx n ASP 196 N -3.14 0.00 -0.04 4.20 3.85 -0.64 -2.21 116.55 118.57 3gjx n ASP 196 Ca -0.05 -0.68 -0.15 0.00 -0.71 0.00 0.00 54.79 53.19 3gjx n ASP 196 Cb 0.17 -0.03 -0.13 0.00 -1.35 0.00 0.00 41.12 39.78 3gjx n ASP 196 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3gjx h SER 197 N 0.00 0.10 0.87 -1.12 0.02 -1.10 -2.89 113.55 109.43 3gjx h SER 197 Ca 0.00 -0.96 -0.05 0.00 -0.84 0.00 0.00 61.79 59.94 3gjx h SER 197 Cb 0.02 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3gjx h SER 197 CO 0.00 1.05 -0.24 -0.03 -1.14 0.00 0.00 176.83 176.47 3gjx h MET 198 N -0.83 0.00 -0.19 3.45 4.05 -0.94 -1.90 114.93 118.58 3gjx h MET 198 Ca -0.03 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.22 3gjx h MET 198 Cb 1.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 3gjx h MET 198 CO 0.03 0.24 -0.59 0.00 0.23 0.00 0.00 176.91 176.82 3gjx h ASN 200 N 0.46 0.00 -0.16 0.00 -0.73 -1.11 -3.03 115.58 111.01 3gjx h ASN 200 Ca -0.00 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 3gjx h ASN 200 Cb 1.16 0.00 -0.33 0.00 0.27 0.00 0.00 38.32 39.42 3gjx h ASN 200 CO 0.11 0.08 -0.94 -1.84 -0.37 0.00 0.00 177.43 174.47 3gjx n GLU 201 N -3.43 0.99 0.09 6.67 0.28 -1.21 -4.85 120.64 119.19 3gjx n GLU 201 Ca -0.01 -2.77 -0.18 0.00 -0.16 0.00 0.00 57.16 54.03 3gjx n GLU 201 Cb 0.23 -0.86 -0.11 0.00 1.43 0.00 0.00 31.44 32.14 3gjx n GLU 201 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3gjx h PHE 202 N 1.48 0.77 -1.00 -1.84 3.57 -1.37 -3.29 116.94 115.26 3gjx h PHE 202 Ca -0.12 -0.49 0.23 0.00 3.53 0.00 0.00 57.97 61.12 3gjx h PHE 202 Cb 1.56 -0.06 -0.19 0.00 2.79 0.00 0.00 35.95 40.05 3gjx h PHE 202 CO 0.41 1.34 -0.14 0.66 -2.23 0.00 0.00 178.31 178.36 3gjx h SER 203 N 0.21 -0.75 -0.98 0.41 4.64 -1.89 0.41 113.55 115.60 3gjx h SER 203 Ca -0.15 0.29 0.19 0.00 -0.47 0.00 0.00 61.79 61.66 3gjx h SER 203 Cb 1.85 0.57 -0.10 0.00 -0.31 0.00 0.00 62.40 64.41 3gjx h SER 203 CO 0.21 -0.34 0.61 1.56 -0.87 0.00 0.00 176.83 178.00 3gjx h GLN 204 N 0.00 0.66 0.00 4.77 4.20 -1.96 -1.96 115.11 120.83 3gjx h GLN 204 Ca 0.53 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 59.10 3gjx h GLN 204 Cb 0.94 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 3gjx h GLN 204 CO -0.99 0.44 -1.29 0.44 -0.67 0.00 0.00 178.83 176.76 3gjx n ILE 205 N -4.69 0.94 0.12 2.54 -5.35 0.13 -3.14 119.36 109.91 3gjx n ILE 205 Ca 0.22 -0.63 0.03 0.00 -0.27 0.00 0.00 62.75 62.09 3gjx n ILE 205 Cb 0.60 -0.56 0.39 0.00 -1.74 0.00 0.00 39.64 38.34 3gjx n ILE 205 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3gjx h PHE 206 N 0.00 0.24 -0.11 4.28 3.57 -0.49 -0.39 116.94 124.03 3gjx h PHE 206 Ca -0.10 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 3gjx h PHE 206 Cb 1.35 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 3gjx h PHE 206 CO 0.00 0.36 -0.18 1.96 -2.23 0.00 0.00 178.31 178.22 3gjx h GLN 207 N 0.22 0.32 -0.53 1.11 4.20 -1.44 0.47 115.11 119.46 3gjx h GLN 207 Ca 0.05 -0.20 0.09 0.00 0.06 0.00 0.00 58.65 58.65 3gjx h GLN 207 Cb 0.36 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 3gjx h GLN 207 CO 0.02 0.78 0.15 1.25 -0.67 0.00 0.00 178.83 180.36 3gjx h LEU 208 N -0.10 0.09 0.35 1.46 6.46 -1.43 0.64 115.31 122.78 3gjx h LEU 208 Ca 0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3gjx h LEU 208 Cb 0.75 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3gjx h LEU 208 CO 0.04 0.07 -0.26 0.00 -0.62 0.00 0.00 178.44 177.68 3gjx h GLN 210 N -0.60 0.11 -0.42 0.00 4.15 -0.30 0.47 115.11 118.51 3gjx h GLN 210 Ca -0.03 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.45 3gjx h GLN 210 Cb 0.52 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 3gjx h GLN 210 CO 0.00 0.07 0.09 0.35 -1.93 0.00 0.00 178.83 177.41 3gjx h PHE 211 N 0.11 0.15 0.72 3.99 3.57 0.41 -0.17 116.94 125.73 3gjx h PHE 211 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3gjx h PHE 211 Cb 0.15 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.89 3gjx h PHE 211 CO -0.19 0.02 -0.35 0.28 -2.23 0.00 0.00 178.31 175.85 3gjx h VAL 212 N 0.23 0.29 -0.76 1.41 2.07 0.15 -1.68 116.25 117.97 3gjx h VAL 212 Ca 0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 3gjx h VAL 212 Cb 0.25 0.29 -0.13 0.00 -1.52 0.00 0.00 31.29 30.18 3gjx h VAL 212 CO -0.26 0.00 -0.01 0.24 0.02 0.00 0.00 177.57 177.56 3gjx h MET 213 N -0.97 0.09 0.01 1.57 2.86 0.35 0.57 114.93 119.41 3gjx h MET 213 Ca -0.10 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3gjx h MET 213 Cb 0.74 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3gjx h MET 213 CO 0.16 0.06 -0.00 1.05 1.06 0.00 0.00 176.91 179.24 3gjx h GLU 214 N 0.09 -0.01 -0.00 1.72 4.11 -0.96 -3.31 114.58 116.22 3gjx h GLU 214 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3gjx h GLU 214 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3gjx h GLU 214 CO -0.68 0.83 -0.05 0.09 0.07 0.00 0.00 179.01 179.27 3gjx n ASN 215 N -4.67 0.53 -3.71 3.06 3.02 -0.64 -4.97 115.26 107.88 3gjx n ASN 215 Ca -0.09 -0.86 -0.34 0.00 -0.03 0.00 0.00 54.58 53.26 3gjx n ASN 215 Cb 0.41 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 3gjx n ASN 215 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gjx n SER 216 N -0.75 -4.59 0.00 6.41 3.41 0.20 -4.92 113.62 113.38 3gjx n SER 216 Ca 0.18 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3gjx n SER 216 Cb 0.24 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3gjx n SER 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gjx n GLN 217 N 1.89 0.00 -2.56 4.33 6.02 -1.26 -5.06 117.38 120.73 3gjx n GLN 217 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 3gjx n GLN 217 Cb 0.47 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.70 3gjx n GLN 217 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3gjx s ASN 218 N 0.00 6.18 0.19 1.08 3.04 -1.26 -4.91 114.94 119.26 3gjx s ASN 218 Ca 0.00 -0.53 -0.12 0.00 0.04 0.00 0.00 52.86 52.26 3gjx s ASN 218 Cb 0.00 -2.55 0.16 0.00 -1.54 0.00 0.00 41.25 37.32 3gjx s ASN 218 CO 0.00 -1.81 1.81 0.00 -3.04 0.00 0.00 177.10 174.06 3gjx h ALA 219 N 10.00 0.75 -0.21 1.71 0.00 -1.99 0.19 119.26 129.71 3gjx h ALA 219 Ca -0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3gjx h ALA 219 Cb 1.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3gjx h ALA 219 CO 1.28 0.02 0.01 -1.35 0.00 0.00 0.00 179.25 179.21 3gjx h PRO 220 N 0.63 0.08 -0.94 0.00 0.11 -2.00 -1.39 132.00 128.49 3gjx h PRO 220 Ca 0.25 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.36 3gjx h PRO 220 Cb 0.10 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 3gjx h PRO 220 CO -0.14 0.05 0.61 1.25 -0.21 0.00 0.00 178.00 179.57 3gjx h LEU 221 N 0.08 1.08 -0.54 2.35 5.85 -1.76 -2.16 115.31 120.21 3gjx h LEU 221 Ca 0.10 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3gjx h LEU 221 Cb 0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3gjx h LEU 221 CO -0.16 0.79 0.21 0.58 -0.34 0.00 0.00 178.44 179.52 3gjx h VAL 222 N 1.27 1.22 -0.32 1.05 2.07 -0.35 -0.38 116.25 120.81 3gjx h VAL 222 Ca 0.34 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3gjx h VAL 222 Cb -0.14 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3gjx h VAL 222 CO -0.07 0.26 -0.15 -0.74 0.02 0.00 0.00 177.57 176.89 3gjx h HIS 223 N 0.73 0.61 0.10 1.57 -0.00 -1.09 0.13 115.15 117.21 3gjx h HIS 223 Ca 0.18 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3gjx h HIS 223 Cb 0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3gjx h HIS 223 CO 0.01 0.68 -0.05 0.00 -0.00 0.00 0.00 177.93 178.57 3gjx h ALA 224 N 1.33 -0.13 -0.99 5.26 0.00 -1.05 0.45 119.26 124.13 3gjx h ALA 224 Ca 0.09 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.96 3gjx h ALA 224 Cb 0.55 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3gjx h ALA 224 CO 0.04 -0.39 0.62 1.15 0.00 0.00 0.00 179.25 180.66 3gjx h THR 225 N -0.50 0.84 -0.66 0.00 2.02 -0.97 0.85 112.91 114.48 3gjx h THR 225 Ca -0.01 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 3gjx h THR 225 Cb 0.42 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3gjx h THR 225 CO 0.02 0.16 0.11 0.25 0.37 0.00 0.00 175.52 176.43 3gjx h LEU 226 N 0.87 1.05 -0.26 2.58 5.85 -0.40 -0.23 115.31 124.77 3gjx h LEU 226 Ca 0.51 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 3gjx h LEU 226 Cb 0.66 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gjx h LEU 226 CO -0.29 1.05 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.11 3gjx h GLU 227 N 1.02 0.00 0.00 1.25 4.39 0.25 -2.37 114.58 119.12 3gjx h GLU 227 Ca 0.20 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 3gjx h GLU 227 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3gjx h GLU 227 CO 0.01 0.43 -0.57 0.00 -1.16 0.00 0.00 179.01 177.71 3gjx h THR 228 N 0.00 1.06 -0.20 1.13 1.03 0.79 -3.20 112.91 113.52 3gjx h THR 228 Ca -0.00 -2.28 -0.16 0.00 -0.01 0.00 0.00 66.41 63.96 3gjx h THR 228 Cb 1.23 2.37 -0.01 0.00 -1.07 0.00 0.00 68.15 70.67 3gjx h THR 228 CO 0.06 0.56 -0.52 0.25 -0.01 0.00 0.00 175.52 175.86 3gjx h LEU 229 N 0.00 0.61 -2.05 0.00 6.46 -0.64 -2.78 115.31 116.91 3gjx h LEU 229 Ca -0.01 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3gjx h LEU 229 Cb 1.33 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 3gjx h LEU 229 CO 0.07 1.02 -0.02 0.25 -0.62 0.00 0.00 178.44 179.14 3gjx h LEU 230 N 0.43 0.00 0.00 2.25 5.85 -1.43 -1.84 115.31 120.57 3gjx h LEU 230 Ca 0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 3gjx h LEU 230 Cb 1.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3gjx h LEU 230 CO 0.10 0.02 -1.25 0.03 -0.34 0.00 0.00 178.44 177.00 3gjx h ARG 231 N 0.00 0.00 -0.21 1.25 2.47 -1.61 -3.34 114.38 112.95 3gjx h ARG 231 Ca -0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 3gjx h ARG 231 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3gjx h ARG 231 CO 0.00 0.35 -0.54 0.74 0.56 0.00 0.00 179.97 181.09 3gjx h PHE 232 N 0.00 0.94 0.00 3.04 0.04 -1.16 -3.11 116.94 116.70 3gjx h PHE 232 Ca -0.13 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3gjx h PHE 232 Cb 1.57 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.55 3gjx h PHE 232 CO 0.00 1.17 0.50 -0.07 -0.60 0.00 0.00 178.31 179.31 3gjx h LEU 233 N 0.45 0.00 -1.87 1.54 3.38 -1.47 0.61 115.31 117.96 3gjx h LEU 233 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gjx h LEU 233 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gjx h LEU 233 CO 0.12 0.00 -0.10 0.78 0.09 0.00 0.00 178.44 179.33 3gjx h ASN 234 N 0.00 0.00 0.00 -0.43 2.35 -1.71 -3.41 115.58 112.38 3gjx h ASN 234 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gjx h ASN 234 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3gjx h ASN 234 CO 0.00 0.10 0.00 -2.67 -1.65 0.00 0.00 177.43 173.21 3gjx n TRP 235 N -3.43 0.00 -1.80 1.19 4.27 0.11 -5.11 117.44 112.66 3gjx n TRP 235 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.18 3gjx n TRP 235 Cb 0.25 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.18 3gjx n TRP 235 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 3gjx s ILE 236 N -0.54 2.16 0.22 -1.67 -4.36 -0.60 -4.85 121.20 111.56 3gjx s ILE 236 Ca 0.00 0.13 -0.28 0.00 -0.26 0.00 0.00 60.65 60.24 3gjx s ILE 236 Cb 0.00 -3.08 -0.17 0.00 1.25 0.00 0.00 42.46 40.46 3gjx s ILE 236 CO 0.00 0.02 0.56 -2.65 0.24 0.00 0.00 174.94 173.10 3gjx n PRO 237 N 2.76 0.14 0.02 0.37 -0.02 -1.26 -4.78 135.00 132.23 3gjx n PRO 237 Ca 0.10 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 3gjx n PRO 237 Cb 0.37 -1.09 0.33 0.00 -0.02 0.00 0.00 33.50 33.09 3gjx n PRO 237 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gjx n LEU 238 N 1.92 0.09 -0.23 2.45 4.77 -1.26 -1.83 117.00 122.90 3gjx n LEU 238 Ca 0.17 0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 56.61 3gjx n LEU 238 Cb 0.26 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3gjx n LEU 238 CO 0.56 -0.29 1.13 1.23 -1.33 0.00 0.00 177.39 178.69 3gjx h GLY 239 N 2.45 0.94 2.00 -0.72 0.00 -1.96 -0.49 103.07 105.29 3gjx h GLY 239 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3gjx h GLY 239 CO 0.00 0.37 -0.01 -0.97 0.00 0.00 0.00 176.54 175.93 3gjx h TYR 240 N 0.89 0.00 0.00 5.60 0.05 -1.68 -1.47 116.97 120.36 3gjx h TYR 240 Ca 0.24 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.73 3gjx h TYR 240 Cb -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 3gjx h TYR 240 CO -0.02 0.01 -1.59 -0.89 -1.05 0.00 0.00 178.16 174.62 3gjx n ILE 241 N -3.78 1.53 0.28 -2.88 5.41 -0.86 -4.36 119.36 114.70 3gjx n ILE 241 Ca -0.03 -0.11 0.11 0.00 1.00 0.00 0.00 62.75 63.72 3gjx n ILE 241 Cb 0.09 -2.01 0.20 0.00 -0.71 0.00 0.00 39.64 37.21 3gjx n ILE 241 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3gjx n PHE 242 N -4.39 0.47 -1.82 1.39 3.72 -0.25 -4.31 117.46 112.27 3gjx n PHE 242 Ca -0.37 -0.25 0.05 0.00 -0.05 0.00 0.00 57.45 56.83 3gjx n PHE 242 Cb 0.72 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.37 3gjx n PHE 242 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3gjx n GLU 243 N 1.40 0.80 -3.65 -1.08 1.02 -0.55 -4.93 120.64 113.64 3gjx n GLU 243 Ca 0.18 -2.39 -0.17 0.00 -0.02 0.00 0.00 57.16 54.77 3gjx n GLU 243 Cb 0.58 -0.94 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 3gjx n GLU 243 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gjx n THR 244 N -0.52 0.00 1.36 2.62 -2.24 -1.26 -4.94 114.28 109.29 3gjx n THR 244 Ca 0.11 -1.68 0.04 0.00 -2.27 0.00 0.00 64.05 60.25 3gjx n THR 244 Cb 0.81 0.68 0.12 0.00 -2.10 0.00 0.00 70.33 69.84 3gjx n THR 244 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gjx n LYS 245 N -0.58 1.47 0.35 -0.78 5.02 -1.26 -4.46 118.16 117.92 3gjx n LYS 245 Ca -0.01 -0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 55.37 3gjx n LYS 245 Cb 0.43 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 3gjx n LYS 245 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3gjx h LEU 246 N 1.21 -0.82 -1.57 -0.35 5.85 -1.86 0.42 115.31 118.18 3gjx h LEU 246 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3gjx h LEU 246 Cb 0.28 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3gjx h LEU 246 CO 0.00 -0.55 0.39 0.40 -0.34 0.00 0.00 178.44 178.34 3gjx h ILE 247 N -0.89 0.97 0.09 4.05 2.04 -1.78 -1.09 117.51 120.91 3gjx h ILE 247 Ca -0.08 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3gjx h ILE 247 Cb 0.70 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3gjx h ILE 247 CO 0.11 0.10 -0.04 0.28 0.00 0.00 0.00 178.15 178.59 3gjx h SER 248 N 0.52 -0.10 -0.91 1.72 0.02 -1.74 -2.72 113.55 110.33 3gjx h SER 248 Ca 0.25 -0.48 0.16 0.00 -0.84 0.00 0.00 61.79 60.89 3gjx h SER 248 Cb 0.33 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 3gjx h SER 248 CO -0.07 0.49 0.50 0.74 -1.14 0.00 0.00 176.83 177.35 3gjx h THR 249 N -0.76 0.72 0.73 -2.27 2.02 0.14 0.91 112.91 114.39 3gjx h THR 249 Ca -0.01 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3gjx h THR 249 Cb 0.58 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3gjx h THR 249 CO 0.02 0.12 -0.35 -0.07 0.37 0.00 0.00 175.52 175.61 3gjx h LEU 250 N 0.68 -0.83 -1.03 2.58 3.38 -1.25 0.82 115.31 119.66 3gjx h LEU 250 Ca 0.51 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 3gjx h LEU 250 Cb 0.74 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3gjx h LEU 250 CO -0.37 -0.59 0.32 0.40 0.09 0.00 0.00 178.44 178.29 3gjx h ILE 251 N -1.01 1.23 0.15 1.22 2.04 -1.13 -1.85 117.51 118.17 3gjx h ILE 251 Ca -0.10 -0.67 -0.32 0.00 1.00 0.00 0.00 64.86 64.77 3gjx h ILE 251 Cb 0.76 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3gjx h ILE 251 CO 0.17 0.28 -1.61 1.88 0.00 0.00 0.00 178.15 178.86 3gjx h TYR 252 N 1.00 0.58 0.06 1.37 0.05 -0.90 -3.37 116.97 115.76 3gjx h TYR 252 Ca 0.24 -0.43 -0.19 0.00 0.05 0.00 0.00 58.73 58.41 3gjx h TYR 252 Cb 0.13 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3gjx h TYR 252 CO 0.01 1.63 -0.96 0.87 -1.05 0.00 0.00 178.16 178.67 3gjx h LYS 253 N -0.08 0.12 0.00 4.88 1.79 -0.85 -3.44 116.57 118.99 3gjx h LYS 253 Ca -0.33 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 3gjx h LYS 253 Cb 1.94 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 3gjx h LYS 253 CO 0.12 1.10 -0.96 1.19 -1.08 0.00 0.00 179.45 179.82 3gjx n PHE 254 N -4.25 0.00 0.10 -1.35 3.72 -0.87 -4.62 117.46 110.19 3gjx n PHE 254 Ca -0.22 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.13 3gjx n PHE 254 Cb 0.73 -0.08 0.12 0.00 -0.94 0.00 0.00 39.48 39.31 3gjx n PHE 254 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3gjx h LEU 255 N 0.00 0.20 0.00 4.37 5.85 -1.52 -3.19 115.31 121.02 3gjx h LEU 255 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3gjx h LEU 255 Cb 0.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3gjx h LEU 255 CO 0.00 0.78 -0.36 -0.46 -0.34 0.00 0.00 178.44 178.07 3gjx n ASN 256 N -3.83 0.47 -4.75 1.25 0.23 -1.26 -4.50 115.26 102.86 3gjx n ASN 256 Ca -0.02 0.12 -0.37 0.00 -0.53 0.00 0.00 54.58 53.78 3gjx n ASN 256 Cb 0.64 -0.07 -0.06 0.00 -2.08 0.00 0.00 39.78 38.20 3gjx n ASN 256 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3gjx s VAL 257 N -3.06 5.19 0.15 3.53 -7.23 -1.21 -5.00 120.40 112.78 3gjx s VAL 257 Ca 0.10 0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 60.79 3gjx s VAL 257 Cb 0.16 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 3gjx s VAL 257 CO 0.65 0.40 1.57 -0.65 -0.31 0.00 0.00 175.10 176.76 3gjx h PRO 258 N 6.24 -0.31 0.00 4.82 0.11 -1.87 0.83 132.00 141.83 3gjx h PRO 258 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gjx h PRO 258 Cb 1.18 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gjx h PRO 258 CO 0.72 -0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 3gjx n MET 259 N -5.41 0.43 0.00 1.05 0.00 -1.26 -1.78 117.12 110.16 3gjx n MET 259 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.75 3gjx n MET 259 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.07 3gjx n MET 259 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3gjx n PHE 260 N -1.13 0.00 -0.31 3.17 3.72 -1.00 -4.81 117.46 117.10 3gjx n PHE 260 Ca 0.12 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.66 3gjx n PHE 260 Cb 0.10 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 38.96 3gjx n PHE 260 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3gjx h ARG 261 N 0.00 0.37 0.07 -1.08 2.43 -0.01 -1.79 114.38 114.37 3gjx h ARG 261 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gjx h ARG 261 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3gjx h ARG 261 CO 0.00 0.25 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.77 3gjx h ASN 262 N 0.39 -0.08 -1.00 -3.80 2.35 -1.87 -2.81 115.58 108.76 3gjx h ASN 262 Ca 0.58 -0.33 0.15 0.00 -0.55 0.00 0.00 56.30 56.15 3gjx h ASN 262 Cb 1.12 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.42 3gjx h ASN 262 CO -0.54 0.56 0.62 0.58 -1.65 0.00 0.00 177.43 176.99 3gjx h VAL 263 N -0.99 0.84 0.67 2.81 2.07 -1.90 -1.56 116.25 118.19 3gjx h VAL 263 Ca -0.01 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3gjx h VAL 263 Cb 0.40 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3gjx h VAL 263 CO 0.02 0.16 -0.41 -1.28 0.02 0.00 0.00 177.57 176.08 3gjx h SER 264 N 0.90 -1.04 -0.89 0.57 0.87 -1.41 -1.88 113.55 110.67 3gjx h SER 264 Ca 0.52 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 61.24 3gjx h SER 264 Cb 0.64 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 3gjx h SER 264 CO -0.31 -0.64 0.54 0.25 -0.53 0.00 0.00 176.83 176.14 3gjx h LEU 265 N -1.02 0.80 -1.23 2.23 5.85 -1.20 -1.39 115.31 119.35 3gjx h LEU 265 Ca -0.08 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3gjx h LEU 265 Cb 0.83 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3gjx h LEU 265 CO 0.08 0.47 0.52 0.11 -0.34 0.00 0.00 178.44 179.28 3gjx h LYS 266 N 0.91 1.02 0.16 1.25 1.57 -1.02 0.14 116.57 120.60 3gjx h LYS 266 Ca 0.42 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 3gjx h LYS 266 Cb 0.34 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gjx h LYS 266 CO -0.23 0.67 -0.08 0.00 -0.57 0.00 0.00 179.45 179.24 3gjx h LEU 268 N -0.40 0.47 -0.64 0.00 3.38 -0.59 0.21 115.31 117.73 3gjx h LEU 268 Ca -0.02 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 268 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gjx h LEU 268 CO 0.04 0.20 -0.43 0.74 0.09 0.00 0.00 178.44 179.07 3gjx h THR 269 N 0.47 1.30 -0.18 0.22 2.02 -0.42 0.26 112.91 116.59 3gjx h THR 269 Ca 0.47 -1.62 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3gjx h THR 269 Cb 1.07 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3gjx h THR 269 CO -0.20 0.51 -0.09 -0.33 0.37 0.00 0.00 175.52 175.79 3gjx h GLU 270 N 0.46 0.37 -0.89 6.66 4.39 -0.29 -1.21 114.58 124.07 3gjx h GLU 270 Ca 0.03 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3gjx h GLU 270 Cb 0.94 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 3gjx h GLU 270 CO 0.08 0.68 0.56 0.82 -1.16 0.00 0.00 179.01 179.99 3gjx h ILE 271 N 0.05 1.24 0.00 3.13 2.04 -1.11 -2.18 117.51 120.69 3gjx h ILE 271 Ca 0.04 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3gjx h ILE 271 Cb 0.57 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3gjx h ILE 271 CO 0.03 0.24 -0.17 0.00 0.00 0.00 0.00 178.15 178.25 3gjx h ALA 272 N 1.39 1.35 0.00 1.87 0.00 -0.25 -2.53 119.26 121.09 3gjx h ALA 272 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gjx h ALA 272 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gjx h ALA 272 CO -0.06 0.21 0.00 0.78 0.00 0.00 0.00 179.25 180.18 3gjx h GLY 273 N 0.91 0.00 -1.15 0.00 0.00 -0.55 -3.43 103.07 98.87 3gjx h GLY 273 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3gjx h GLY 273 CO 0.02 0.00 0.17 0.14 0.00 0.00 0.00 176.54 176.87 3gjx s VAL 274 N -3.52 2.31 -0.17 4.60 1.01 -0.96 -4.99 120.40 118.69 3gjx s VAL 274 Ca 0.03 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3gjx s VAL 274 Cb 0.08 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3gjx s VAL 274 CO 0.56 -0.13 0.59 -0.94 0.00 0.00 0.00 175.10 175.19 3gjx s SER 275 N -2.93 6.70 0.45 3.32 1.04 -1.26 -4.93 113.70 116.09 3gjx s SER 275 Ca 0.66 0.85 0.27 0.00 0.48 0.00 0.00 55.95 58.21 3gjx s SER 275 Cb -0.21 -2.34 1.48 0.00 0.10 0.00 0.00 66.02 65.05 3gjx s SER 275 CO 0.60 -0.19 1.81 1.62 0.98 0.00 0.00 173.24 178.06 3gjx h VAL 276 N 5.04 0.00 0.00 5.02 3.04 -1.94 -3.39 116.25 124.02 3gjx h VAL 276 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3gjx h VAL 276 Cb 1.16 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3gjx h VAL 276 CO 0.76 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 176.12 3gjx n SER 277 N -2.51 0.00 -0.10 3.17 7.64 -1.26 -1.35 113.62 119.22 3gjx n SER 277 Ca -0.02 0.36 0.14 0.00 1.01 0.00 0.00 58.87 60.37 3gjx n SER 277 Cb 0.13 -0.14 0.62 0.00 -1.01 0.00 0.00 64.21 63.81 3gjx n SER 277 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gjx n GLN 278 N -1.82 0.62 -2.60 1.43 3.00 -1.26 -4.19 117.38 112.56 3gjx n GLN 278 Ca 0.00 -0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 56.69 3gjx n GLN 278 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.78 3gjx n GLN 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3gjx n TYR 279 N -1.02 1.75 -0.22 1.08 4.01 -0.46 -4.87 117.16 117.44 3gjx n TYR 279 Ca 0.14 -2.49 0.01 0.00 -0.16 0.00 0.00 57.90 55.40 3gjx n TYR 279 Cb 0.28 -0.28 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3gjx n TYR 279 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gjx h GLU 280 N 2.66 0.04 0.00 -0.72 4.39 -1.67 -2.01 114.58 117.27 3gjx h GLU 280 Ca 0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3gjx h GLU 280 Cb 1.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3gjx h GLU 280 CO 0.46 0.03 0.00 0.39 -1.16 0.00 0.00 179.01 178.73 3gjx n GLU 281 N -5.39 0.00 -0.28 2.33 -0.58 -1.26 -1.82 120.64 113.64 3gjx n GLU 281 Ca 0.09 0.59 -0.07 0.00 -0.42 0.00 0.00 57.16 57.35 3gjx n GLU 281 Cb 0.36 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 3gjx n GLU 281 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3gjx h GLN 282 N 0.00 -0.14 -0.54 3.49 7.50 -1.86 -0.15 115.11 123.41 3gjx h GLN 282 Ca 0.00 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.27 3gjx h GLN 282 Cb 0.00 0.03 -0.10 0.00 0.05 0.00 0.00 27.48 27.47 3gjx h GLN 282 CO 0.00 -0.10 -0.07 0.74 -1.50 0.00 0.00 178.83 177.90 3gjx h PHE 283 N -0.15 -0.17 -0.69 2.96 0.04 -1.32 1.14 116.94 118.75 3gjx h PHE 283 Ca 0.21 0.04 0.05 0.00 2.80 0.00 0.00 57.97 61.07 3gjx h PHE 283 Cb 0.55 0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.80 3gjx h PHE 283 CO -0.80 -0.19 0.41 1.49 -0.60 0.00 0.00 178.31 178.63 3gjx h GLU 284 N 0.05 0.76 -0.02 1.51 4.81 -0.30 0.96 114.58 122.35 3gjx h GLU 284 Ca 0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3gjx h GLU 284 Cb 0.41 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3gjx h GLU 284 CO -0.51 0.50 0.00 1.15 -0.73 0.00 0.00 179.01 179.43 3gjx h THR 285 N 0.78 1.19 -0.64 0.32 2.02 0.46 0.73 112.91 117.77 3gjx h THR 285 Ca 0.29 -0.56 0.13 0.00 0.77 0.00 0.00 66.41 67.04 3gjx h THR 285 Cb 0.11 1.54 -0.12 0.00 -1.74 0.00 0.00 68.15 67.93 3gjx h THR 285 CO -0.15 0.15 -0.22 0.25 0.37 0.00 0.00 175.52 175.92 3gjx h LEU 286 N -0.20 -0.78 -0.31 2.58 5.85 0.17 -0.06 115.31 122.55 3gjx h LEU 286 Ca 0.00 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3gjx h LEU 286 Cb 0.24 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3gjx h LEU 286 CO 0.00 -0.25 0.14 0.15 -0.34 0.00 0.00 178.44 178.14 3gjx h PHE 287 N -0.05 0.47 0.50 1.25 3.57 -0.56 -1.42 116.94 120.70 3gjx h PHE 287 Ca 0.29 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3gjx h PHE 287 Cb 0.51 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3gjx h PHE 287 CO -0.57 0.44 -0.35 1.15 -2.23 0.00 0.00 178.31 176.75 3gjx h THR 288 N 0.36 0.28 -0.58 4.41 2.02 0.02 -2.31 112.91 117.11 3gjx h THR 288 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3gjx h THR 288 Cb 0.16 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3gjx h THR 288 CO -0.01 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.19 3gjx h LEU 289 N -0.82 0.65 -0.17 2.58 4.07 -1.04 -2.79 115.31 117.79 3gjx h LEU 289 Ca -0.05 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.93 3gjx h LEU 289 Cb 0.69 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 3gjx h LEU 289 CO 0.03 0.47 -0.05 0.74 -1.08 0.00 0.00 178.44 178.55 3gjx h THR 290 N 0.77 0.82 -0.35 0.22 2.02 -1.15 -1.74 112.91 113.50 3gjx h THR 290 Ca 0.22 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.46 3gjx h THR 290 Cb -0.07 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3gjx h THR 290 CO -0.06 0.00 0.03 0.24 0.37 0.00 0.00 175.52 176.10 3gjx h MET 291 N -0.01 0.13 0.33 6.66 2.86 -1.21 0.22 114.93 123.92 3gjx h MET 291 Ca 0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3gjx h MET 291 Cb 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3gjx h MET 291 CO -0.18 0.09 -0.42 0.52 1.06 0.00 0.00 176.91 177.98 3gjx h MET 292 N 0.14 -0.77 -0.31 1.72 2.07 -1.21 0.42 114.93 117.00 3gjx h MET 292 Ca 0.17 0.05 0.06 0.00 -2.07 0.00 0.00 59.70 57.91 3gjx h MET 292 Cb 0.22 0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 3gjx h MET 292 CO -0.26 -0.51 0.21 1.96 1.07 0.00 0.00 176.91 179.38 3gjx h GLN 293 N -0.80 0.14 -0.03 1.72 1.08 -1.04 -2.25 115.11 113.93 3gjx h GLN 293 Ca -0.02 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3gjx h GLN 293 Cb 0.74 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 3gjx h GLN 293 CO -0.12 0.09 -0.13 1.25 -0.95 0.00 0.00 178.83 178.98 3gjx h LEU 294 N 0.14 0.16 -2.11 1.46 5.85 0.29 -2.57 115.31 118.53 3gjx h LEU 294 Ca 0.14 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3gjx h LEU 294 Cb 0.38 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3gjx h LEU 294 CO -0.02 0.78 0.30 0.11 -0.34 0.00 0.00 178.44 179.28 3gjx h LYS 295 N -0.44 0.00 0.06 1.25 1.57 0.43 0.18 116.57 119.62 3gjx h LYS 295 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 3gjx h LYS 295 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3gjx h LYS 295 CO 0.03 0.00 -1.85 1.04 -0.57 0.00 0.00 179.45 178.09 3gjx n GLN 296 N -3.02 0.70 -0.06 3.15 6.02 -1.10 -4.09 117.38 118.97 3gjx n GLN 296 Ca -0.01 0.28 -0.14 0.00 -0.01 0.00 0.00 57.00 57.12 3gjx n GLN 296 Cb 0.37 -1.75 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 3gjx n GLN 296 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3gjx h MET 297 N 0.04 0.57 -4.26 -1.09 2.86 -0.37 -3.41 114.93 109.27 3gjx h MET 297 Ca -0.36 -0.36 -0.61 0.00 -2.06 0.00 0.00 59.70 56.31 3gjx h MET 297 Cb 2.03 0.04 -0.39 0.00 0.06 0.00 0.00 31.60 33.34 3gjx h MET 297 CO 0.08 0.97 -0.77 -0.51 1.06 0.00 0.00 176.91 177.75 3gjx s LEU 298 N -8.84 2.92 0.21 1.22 1.43 0.37 -5.10 118.68 110.90 3gjx s LEU 298 Ca -0.13 -1.46 -0.32 0.00 -1.03 0.00 0.00 54.13 51.19 3gjx s LEU 298 Cb 0.07 -1.20 -0.14 0.00 0.03 0.00 0.00 46.19 44.95 3gjx s LEU 298 CO 0.82 -0.30 1.47 -2.65 0.23 0.00 0.00 176.35 175.92 3gjx n PRO 299 N 4.63 2.09 0.00 1.29 -0.02 -1.26 -4.46 135.00 137.27 3gjx n PRO 299 Ca -0.07 0.75 0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3gjx n PRO 299 Cb 0.43 -2.45 0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3gjx n PRO 299 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gjx n LEU 300 N 2.57 0.00 -0.00 2.45 4.32 -1.26 -0.76 117.00 124.32 3gjx n LEU 300 Ca 0.13 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.17 3gjx n LEU 300 Cb 0.31 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.05 3gjx n LEU 300 CO 0.63 0.00 -0.22 -0.46 -1.22 0.00 0.00 177.39 176.12 3gjx n ASN 301 N -0.66 1.27 -4.75 -1.43 6.94 -1.26 -5.02 115.26 110.36 3gjx n ASN 301 Ca 0.02 -0.47 -0.42 0.00 -0.02 0.00 0.00 54.58 53.70 3gjx n ASN 301 Cb 0.01 1.14 -0.02 0.00 -2.36 0.00 0.00 39.78 38.56 3gjx n ASN 301 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3gjx n THR 302 N -1.42 0.92 -2.49 5.53 -2.24 0.06 -4.91 114.28 109.74 3gjx n THR 302 Ca 0.01 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 3gjx n THR 302 Cb 0.17 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.38 3gjx n THR 302 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gjx s ASN 303 N 0.58 6.15 0.15 3.42 3.84 -1.26 -4.87 114.94 122.94 3gjx s ASN 303 Ca 0.65 -0.75 -0.17 0.00 0.21 0.00 0.00 52.86 52.80 3gjx s ASN 303 Cb -0.49 -2.56 -0.00 0.00 -0.55 0.00 0.00 41.25 37.65 3gjx s ASN 303 CO 0.47 -1.82 1.80 0.40 -2.79 0.00 0.00 177.10 175.16 3gjx h ILE 304 N 6.43 1.10 -0.87 -5.21 1.08 -1.91 0.63 117.51 118.76 3gjx h ILE 304 Ca -0.09 -0.19 0.23 0.00 -0.39 0.00 0.00 64.86 64.41 3gjx h ILE 304 Cb 1.04 0.57 -0.15 0.00 -3.07 0.00 0.00 36.82 35.21 3gjx h ILE 304 CO 1.32 0.10 0.11 -0.09 -0.69 0.00 0.00 178.15 178.90 3gjx h ARG 305 N 0.50 0.11 0.03 2.37 2.43 -1.84 0.84 114.38 118.81 3gjx h ARG 305 Ca 0.13 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gjx h ARG 305 Cb -0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3gjx h ARG 305 CO -0.03 0.07 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.42 3gjx h LEU 306 N 0.12 -0.03 -0.68 3.80 3.38 -1.70 0.39 115.31 120.58 3gjx h LEU 306 Ca 0.52 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3gjx h LEU 306 Cb 1.04 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.69 3gjx h LEU 306 CO -0.74 0.54 0.15 0.00 0.09 0.00 0.00 178.44 178.48 3gjx h ALA 307 N 0.32 0.84 0.15 1.53 0.00 0.58 0.17 119.26 122.84 3gjx h ALA 307 Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gjx h ALA 307 Cb 0.57 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gjx h ALA 307 CO 0.01 -0.32 -0.07 -0.92 0.00 0.00 0.00 179.25 177.94 3gjx h TYR 308 N 0.26 -0.18 -0.66 0.00 3.20 0.63 0.46 116.97 120.68 3gjx h TYR 308 Ca 0.37 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.35 3gjx h TYR 308 Cb 0.60 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 3gjx h TYR 308 CO -0.26 0.10 0.24 1.03 -1.64 0.00 0.00 178.16 177.62 3gjx h SER 309 N -0.46 0.21 -0.70 -2.11 0.87 0.29 -0.34 113.55 111.31 3gjx h SER 309 Ca -0.02 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gjx h SER 309 Cb 0.36 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3gjx h SER 309 CO 0.03 0.11 0.00 0.59 -0.53 0.00 0.00 176.83 177.03 3gjx n ASN 310 N -5.01 4.34 -4.13 6.23 3.02 0.47 -4.98 115.26 115.20 3gjx n ASN 310 Ca 0.11 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 52.16 3gjx n ASN 310 Cb 0.33 -0.53 0.19 0.00 -0.61 0.00 0.00 39.78 39.16 3gjx n ASN 310 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gjx s GLY 311 N -0.96 1.71 0.00 7.41 0.00 0.16 -5.01 107.32 110.63 3gjx s GLY 311 Ca 0.50 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3gjx s GLY 311 CO 0.30 -0.29 0.00 1.17 0.00 0.00 0.00 173.10 174.27 3gjx n LYS 312 N -4.01 3.73 -0.46 2.90 3.00 -1.26 -4.94 118.16 117.11 3gjx n LYS 312 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.42 3gjx n LYS 312 Cb 0.59 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.76 3gjx n LYS 312 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3gjx n ASP 313 N 0.00 3.20 0.00 3.14 -0.08 -1.26 -2.79 116.55 118.77 3gjx n ASP 313 Ca 0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 54.79 50.74 3gjx n ASP 313 Cb 0.00 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.85 3gjx n ASP 313 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3gjx n ASP 314 N 0.06 0.91 0.12 1.67 5.68 -1.26 -4.71 116.55 119.01 3gjx n ASP 314 Ca 0.18 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.52 3gjx n ASP 314 Cb 0.82 0.07 0.02 0.00 -1.14 0.00 0.00 41.12 40.89 3gjx n ASP 314 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3gjx h GLU 315 N 0.00 0.00 -0.13 0.11 4.81 -1.96 -2.80 114.58 114.61 3gjx h GLU 315 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 3gjx h GLU 315 Cb 0.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gjx h GLU 315 CO 0.00 0.29 -0.77 1.96 -0.73 0.00 0.00 179.01 179.76 3gjx h GLN 316 N 0.00 0.75 0.00 1.92 4.20 -1.83 -1.78 115.11 118.36 3gjx h GLN 316 Ca -0.04 -0.63 -0.08 0.00 0.06 0.00 0.00 58.65 57.96 3gjx h GLN 316 Cb 1.31 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 3gjx h GLN 316 CO 0.04 1.24 -0.36 -0.91 -0.67 0.00 0.00 178.83 178.17 3gjx h ASN 317 N 0.46 0.00 -0.10 1.46 2.35 -1.82 -2.15 115.58 115.78 3gjx h ASN 317 Ca -0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3gjx h ASN 317 Cb 1.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.78 3gjx h ASN 317 CO 0.16 0.36 -0.15 0.15 -1.65 0.00 0.00 177.43 176.30 3gjx h PHE 318 N 0.00 0.34 0.13 1.19 3.57 -1.40 -1.15 116.94 119.62 3gjx h PHE 318 Ca -0.00 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.40 3gjx h PHE 318 Cb 0.81 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3gjx h PHE 318 CO 0.00 0.74 -0.27 0.82 -2.23 0.00 0.00 178.31 177.37 3gjx h ILE 319 N -0.16 0.40 -0.10 1.41 2.04 -1.22 0.44 117.51 120.33 3gjx h ILE 319 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3gjx h ILE 319 Cb 0.71 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3gjx h ILE 319 CO 0.03 0.00 -0.27 -0.61 0.00 0.00 0.00 178.15 177.31 3gjx h GLN 320 N -0.50 -0.34 -0.81 2.37 4.15 -1.43 -0.28 115.11 118.27 3gjx h GLN 320 Ca 0.03 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.57 3gjx h GLN 320 Cb 0.52 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 3gjx h GLN 320 CO -0.15 -0.23 0.53 -0.91 -1.93 0.00 0.00 178.83 176.14 3gjx h ASN 321 N -0.36 0.66 -0.88 -0.69 -0.26 -0.88 0.14 115.58 113.32 3gjx h ASN 321 Ca 0.09 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3gjx h ASN 321 Cb 0.49 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.59 3gjx h ASN 321 CO -0.30 0.38 0.52 0.25 -1.06 0.00 0.00 177.43 177.22 3gjx h LEU 322 N 0.72 1.06 -1.30 1.61 5.85 0.12 0.67 115.31 124.05 3gjx h LEU 322 Ca 0.38 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 3gjx h LEU 322 Cb 0.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3gjx h LEU 322 CO -0.15 0.82 -0.32 -1.28 -0.34 0.00 0.00 178.44 177.18 3gjx h SER 323 N 1.21 0.00 0.53 1.25 0.87 0.87 -1.05 113.55 117.23 3gjx h SER 323 Ca 0.31 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.58 3gjx h SER 323 Cb -0.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3gjx h SER 323 CO -0.06 0.32 -1.36 -0.07 -0.53 0.00 0.00 176.83 175.13 3gjx h LEU 324 N 0.00 0.47 0.39 2.23 3.38 -0.46 -2.70 115.31 118.61 3gjx h LEU 324 Ca -0.00 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 3gjx h LEU 324 Cb 0.67 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3gjx h LEU 324 CO 0.04 1.43 -0.18 0.15 0.09 0.00 0.00 178.44 179.96 3gjx h PHE 325 N 0.08 -0.48 -0.17 1.13 3.57 -0.61 -2.59 116.94 117.88 3gjx h PHE 325 Ca -0.18 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.36 3gjx h PHE 325 Cb 2.01 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 40.85 3gjx h PHE 325 CO 0.07 -0.16 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.72 3gjx h LEU 326 N -0.80 -0.63 -0.33 0.59 3.38 -1.32 -1.76 115.31 114.43 3gjx h LEU 326 Ca -0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gjx h LEU 326 Cb 0.53 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3gjx h LEU 326 CO 0.09 -0.25 0.22 0.00 0.09 0.00 0.00 178.44 178.59 3gjx h THR 328 N 0.44 1.23 0.03 0.00 2.02 -1.27 -0.45 112.91 114.91 3gjx h THR 328 Ca 0.12 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 3gjx h THR 328 Cb -0.05 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3gjx h THR 328 CO -0.03 0.30 -0.41 0.15 0.37 0.00 0.00 175.52 175.90 3gjx h PHE 329 N 0.89 0.36 0.00 3.16 3.57 -1.10 -1.66 116.94 122.15 3gjx h PHE 329 Ca 0.20 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3gjx h PHE 329 Cb 0.25 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3gjx h PHE 329 CO 0.02 1.07 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.05 3gjx h LEU 330 N -0.46 0.00 0.13 0.59 3.38 -1.12 0.20 115.31 118.04 3gjx h LEU 330 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gjx h LEU 330 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gjx h LEU 330 CO 0.08 0.05 -0.06 0.50 0.09 0.00 0.00 178.44 179.10 3gjx h LYS 331 N 0.00 -0.17 0.25 1.13 3.64 -1.00 -2.46 116.57 117.96 3gjx h LYS 331 Ca -0.00 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 3gjx h LYS 331 Cb 0.09 0.04 0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3gjx h LYS 331 CO 0.01 0.28 -1.52 1.49 -2.27 0.00 0.00 179.45 177.44 3gjx h GLU 332 N -0.73 0.52 -0.20 1.90 4.57 -0.93 -3.35 114.58 116.36 3gjx h GLU 332 Ca -0.02 -0.90 0.00 0.00 -1.18 0.00 0.00 59.36 57.26 3gjx h GLU 332 Cb 0.53 0.33 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3gjx h GLU 332 CO 0.03 1.43 0.00 0.72 -1.18 0.00 0.00 179.01 180.01 3gjx n HIS 333 N -3.70 0.70 0.08 0.92 -0.00 0.66 -4.79 115.22 109.09 3gjx n HIS 333 Ca -0.18 -0.88 -0.14 0.00 -0.00 0.00 0.00 57.72 56.52 3gjx n HIS 333 Cb 1.10 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.99 30.76 3gjx n HIS 333 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3gjx h GLY 334 N 1.39 -0.86 2.00 -1.41 0.00 -1.45 -1.81 103.07 100.93 3gjx h GLY 334 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3gjx h GLY 334 CO 0.16 -0.25 0.00 0.06 0.00 0.00 0.00 176.54 176.51 3gjx h GLN 335 N -0.62 0.00 0.00 4.80 3.07 -1.87 -0.91 115.11 119.57 3gjx h GLN 335 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.66 3gjx h GLN 335 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.22 3gjx h GLN 335 CO -0.30 0.00 -0.54 1.25 0.09 0.00 0.00 178.83 179.33 3gjx h LEU 336 N 0.00 0.00 0.00 0.06 5.85 -1.70 -0.85 115.31 118.67 3gjx h LEU 336 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3gjx h LEU 336 Cb 0.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3gjx h LEU 336 CO 0.00 0.54 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.96 3gjx h LEU 337 N 0.00 0.00 0.02 2.25 3.38 -0.97 -3.30 115.31 116.69 3gjx h LEU 337 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gjx h LEU 337 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3gjx h LEU 337 CO 0.07 0.55 -0.01 -0.33 0.09 0.00 0.00 178.44 178.81 3gjx h GLU 338 N 0.00 -0.02 0.00 1.13 5.08 -1.23 -3.35 114.58 116.18 3gjx h GLU 338 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3gjx h GLU 338 Cb 1.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 3gjx h GLU 338 CO 0.07 0.69 -0.13 1.57 -1.00 0.00 0.00 179.01 180.21 3gjx h LYS 339 N -0.78 0.00 -5.57 2.33 2.10 -1.29 -3.41 116.57 109.96 3gjx h LYS 339 Ca -0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.05 3gjx h LYS 339 Cb 0.72 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.96 3gjx h LYS 339 CO 0.00 0.13 -0.31 0.50 -2.00 0.00 0.00 179.45 177.77 3gjx s ARG 340 N -3.99 4.19 0.18 0.07 3.52 -1.24 -4.99 118.95 116.69 3gjx s ARG 340 Ca -0.02 0.14 0.16 0.00 -0.13 0.00 0.00 55.73 55.88 3gjx s ARG 340 Cb 0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 3gjx s ARG 340 CO 0.58 0.30 1.18 1.25 -0.81 0.00 0.00 175.30 177.80 3gjx h LEU 341 N 6.40 0.00 0.00 -0.88 6.46 -1.86 -3.28 115.31 122.15 3gjx h LEU 341 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 3gjx h LEU 341 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 3gjx h LEU 341 CO 0.73 0.53 0.00 -0.46 -0.62 0.00 0.00 178.44 178.62 3gjx n ASN 342 N -3.07 0.00 -0.11 1.25 6.94 -1.26 -3.12 115.26 115.89 3gjx n ASN 342 Ca -0.03 -0.48 0.02 0.00 -0.02 0.00 0.00 54.58 54.07 3gjx n ASN 342 Cb 0.78 -0.13 0.01 0.00 -2.36 0.00 0.00 39.78 38.07 3gjx n ASN 342 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gjx n LEU 343 N -1.13 0.97 0.27 -4.53 4.77 -1.23 -4.69 117.00 111.43 3gjx n LEU 343 Ca 0.16 -0.85 0.16 0.00 -0.03 0.00 0.00 56.01 55.45 3gjx n LEU 343 Cb 0.14 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.87 3gjx n LEU 343 CO 0.17 0.21 0.96 0.03 -1.33 0.00 0.00 177.39 177.43 3gjx h ARG 344 N 0.53 0.00 0.12 3.23 3.08 -1.65 -2.59 114.38 117.11 3gjx h ARG 344 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gjx h ARG 344 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3gjx h ARG 344 CO 0.00 0.03 -0.06 1.49 -1.07 0.00 0.00 179.97 180.37 3gjx h GLU 345 N 0.00 -0.16 0.00 0.04 4.81 -1.83 -2.62 114.58 114.81 3gjx h GLU 345 Ca -0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gjx h GLU 345 Cb 0.56 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 3gjx h GLU 345 CO 0.00 0.29 -0.02 0.00 -0.73 0.00 0.00 179.01 178.55 3gjx h ALA 346 N 0.03 1.27 -0.23 2.92 0.00 -1.87 -0.89 119.26 120.50 3gjx h ALA 346 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3gjx h ALA 346 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gjx h ALA 346 CO 0.03 0.03 -0.59 1.25 0.00 0.00 0.00 179.25 179.97 3gjx h LEU 347 N 0.00 0.91 -0.84 0.00 5.85 -1.39 -1.58 115.31 118.26 3gjx h LEU 347 Ca -0.00 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.04 3gjx h LEU 347 Cb 0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3gjx h LEU 347 CO 0.00 1.31 -0.36 0.24 -0.34 0.00 0.00 178.44 179.29 3gjx h MET 348 N 0.54 0.43 -0.48 1.25 2.86 -0.84 -1.17 114.93 117.52 3gjx h MET 348 Ca -0.01 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3gjx h MET 348 Cb 1.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 3gjx h MET 348 CO 0.13 0.74 0.09 0.93 1.06 0.00 0.00 176.91 179.85 3gjx h GLU 349 N 0.36 0.78 -0.55 1.72 5.08 -1.16 -1.78 114.58 119.03 3gjx h GLU 349 Ca 0.04 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 3gjx h GLU 349 Cb 0.81 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3gjx h GLU 349 CO 0.07 0.79 -0.07 0.00 -1.00 0.00 0.00 179.01 178.79 3gjx h ALA 350 N 0.96 0.75 -0.02 3.43 0.00 -1.12 -1.36 119.26 121.91 3gjx h ALA 350 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3gjx h ALA 350 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gjx h ALA 350 CO 0.01 0.64 -0.35 -0.07 0.00 0.00 0.00 179.25 179.48 3gjx h LEU 351 N 0.90 0.03 -0.26 0.00 3.38 -1.19 -0.77 115.31 117.40 3gjx h LEU 351 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3gjx h LEU 351 Cb 0.63 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3gjx h LEU 351 CO 0.04 0.38 -0.15 -0.74 0.09 0.00 0.00 178.44 178.07 3gjx h HIS 352 N 0.03 0.66 -0.20 1.13 2.76 -0.89 -2.36 115.15 116.28 3gjx h HIS 352 Ca 0.00 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.03 3gjx h HIS 352 Cb 0.63 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 3gjx h HIS 352 CO 0.00 0.83 0.03 1.88 -1.30 0.00 0.00 177.93 179.37 3gjx h TYR 353 N 0.30 0.05 -1.04 5.26 0.05 -0.91 -0.91 116.97 119.77 3gjx h TYR 353 Ca 0.06 0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.11 3gjx h TYR 353 Cb 0.67 0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.31 3gjx h TYR 353 CO 0.06 0.01 0.65 0.52 -1.05 0.00 0.00 178.16 178.35 3gjx h MET 354 N 0.10 0.43 -0.05 4.88 2.86 -1.05 0.11 114.93 122.21 3gjx h MET 354 Ca 0.09 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 3gjx h MET 354 Cb 0.09 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 31.67 3gjx h MET 354 CO -0.13 0.28 -0.95 -0.07 1.06 0.00 0.00 176.91 177.11 3gjx h LEU 355 N 0.44 0.89 0.29 1.22 3.38 -0.71 -1.34 115.31 119.48 3gjx h LEU 355 Ca 0.62 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gjx h LEU 355 Cb 1.45 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gjx h LEU 355 CO -0.35 1.47 -0.14 -0.07 0.09 0.00 0.00 178.44 179.44 3gjx h LEU 356 N 0.43 -0.33 -2.61 1.67 3.38 -0.34 -3.09 115.31 114.41 3gjx h LEU 356 Ca -0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gjx h LEU 356 Cb 1.60 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 3gjx h LEU 356 CO 0.19 0.01 -0.01 1.62 0.09 0.00 0.00 178.44 180.34 3gjx h VAL 357 N -0.69 0.31 0.00 1.22 3.04 -0.87 0.19 116.25 119.46 3gjx h VAL 357 Ca -0.04 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3gjx h VAL 357 Cb 0.48 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3gjx h VAL 357 CO 0.06 0.01 0.00 -1.20 -1.01 0.00 0.00 177.57 175.43 3gjx n SER 358 N -3.51 0.00 0.01 3.17 7.64 -0.51 -2.48 113.62 117.94 3gjx n SER 358 Ca -0.03 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.13 3gjx n SER 358 Cb 0.09 -0.37 0.04 0.00 -1.01 0.00 0.00 64.21 62.97 3gjx n SER 358 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gjx n GLU 359 N -1.37 0.09 -1.65 1.43 -0.58 0.68 -4.92 120.64 114.32 3gjx n GLU 359 Ca 0.09 -0.01 -0.47 0.00 -0.42 0.00 0.00 57.16 56.35 3gjx n GLU 359 Cb 0.21 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.51 3gjx n GLU 359 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gjx n VAL 360 N -1.64 0.09 -1.93 2.62 0.31 -1.03 -4.71 118.33 112.04 3gjx n VAL 360 Ca 0.04 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 3gjx n VAL 360 Cb 0.36 -1.36 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3gjx n VAL 360 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gjx n GLU 361 N 3.08 4.28 -3.69 5.55 1.02 -1.26 -4.74 120.64 124.88 3gjx n GLU 361 Ca 0.17 -3.33 -0.23 0.00 -0.02 0.00 0.00 57.16 53.75 3gjx n GLU 361 Cb 0.27 -2.55 -0.17 0.00 -0.02 0.00 0.00 31.44 28.96 3gjx n GLU 361 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gjx s GLU 362 N -1.36 0.26 0.26 3.49 2.56 -1.26 -5.07 118.70 117.58 3gjx s GLU 362 Ca 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 54.97 55.56 3gjx s GLU 362 Cb 0.22 -1.22 0.50 0.00 2.00 0.00 0.00 34.13 35.63 3gjx s GLU 362 CO -0.12 -0.46 1.78 1.15 -0.56 0.00 0.00 175.26 177.06 3gjx h THR 363 N 6.42 0.79 0.00 -1.70 2.02 -1.99 -1.94 112.91 116.50 3gjx h THR 363 Ca -0.15 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 3gjx h THR 363 Cb 1.13 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3gjx h THR 363 CO 0.24 0.13 -0.44 -0.33 0.37 0.00 0.00 175.52 175.49 3gjx h GLU 364 N 0.70 0.00 -0.12 6.66 4.39 -1.98 -0.98 114.58 123.25 3gjx h GLU 364 Ca 0.45 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.92 3gjx h GLU 364 Cb 0.57 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3gjx h GLU 364 CO -0.32 0.44 -0.84 0.82 -1.16 0.00 0.00 179.01 177.95 3gjx h ILE 365 N 0.00 1.28 -0.46 3.13 2.04 -1.77 -3.11 117.51 118.63 3gjx h ILE 365 Ca -0.00 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 63.72 3gjx h ILE 365 Cb 0.98 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3gjx h ILE 365 CO 0.06 0.64 -0.07 0.15 0.00 0.00 0.00 178.15 178.93 3gjx h PHE 366 N 0.50 0.89 0.00 1.37 3.04 -1.06 -2.38 116.94 119.30 3gjx h PHE 366 Ca -0.07 -0.15 -0.06 0.00 3.98 0.00 0.00 57.97 61.67 3gjx h PHE 366 Cb 1.47 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 3gjx h PHE 366 CO 0.09 0.85 -0.28 0.87 -2.02 0.00 0.00 178.31 177.82 3gjx h LYS 367 N 0.74 0.00 -0.02 1.11 1.57 -1.22 0.19 116.57 118.94 3gjx h LYS 367 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gjx h LYS 367 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3gjx h LYS 367 CO 0.03 0.28 -0.02 0.82 -0.57 0.00 0.00 179.45 180.00 3gjx h ILE 368 N 0.00 1.36 -0.44 1.86 2.04 -1.38 -1.77 117.51 119.18 3gjx h ILE 368 Ca -0.00 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3gjx h ILE 368 Cb 0.51 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3gjx h ILE 368 CO 0.04 0.29 0.24 0.00 0.00 0.00 0.00 178.15 178.72 3gjx h LEU 370 N 0.58 0.44 -0.84 0.00 5.85 -0.62 -0.51 115.31 120.20 3gjx h LEU 370 Ca 0.16 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3gjx h LEU 370 Cb 0.05 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3gjx h LEU 370 CO -0.03 0.27 0.38 -0.08 -0.34 0.00 0.00 178.44 178.65 3gjx h GLU 371 N 0.49 1.22 -0.07 1.25 4.81 -0.78 -1.50 114.58 120.00 3gjx h GLU 371 Ca 0.28 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3gjx h GLU 371 Cb 0.45 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3gjx h GLU 371 CO -0.08 0.95 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.14 3gjx h TYR 372 N 1.20 0.22 -0.84 0.92 3.20 -1.07 -2.49 116.97 118.11 3gjx h TYR 372 Ca 0.28 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3gjx h TYR 372 Cb 0.15 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3gjx h TYR 372 CO 0.02 0.66 0.52 -1.49 -1.64 0.00 0.00 178.16 176.23 3gjx h TRP 373 N -0.28 0.97 -0.67 -3.82 -0.00 -1.15 0.22 115.95 111.22 3gjx h TRP 373 Ca 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.91 3gjx h TRP 373 Cb 0.63 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.45 3gjx h TRP 373 CO 0.10 0.51 0.34 -0.97 -0.00 0.00 0.00 178.44 178.42 3gjx h ASN 374 N 0.97 0.84 0.13 -3.49 -0.73 -1.33 -1.08 115.58 110.89 3gjx h ASN 374 Ca 0.36 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 3gjx h ASN 374 Cb 0.13 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.51 3gjx h ASN 374 CO -0.16 0.70 -0.06 -0.74 -0.37 0.00 0.00 177.43 176.80 3gjx h HIS 375 N 0.94 -0.16 0.07 0.67 2.76 -0.39 -0.33 115.15 118.71 3gjx h HIS 375 Ca 0.23 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3gjx h HIS 375 Cb 0.06 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 3gjx h HIS 375 CO 0.01 0.17 -0.25 1.25 -1.30 0.00 0.00 177.93 177.81 3gjx h LEU 376 N -0.50 -0.72 -0.34 0.26 5.85 -0.55 -0.07 115.31 119.24 3gjx h LEU 376 Ca -0.02 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gjx h LEU 376 Cb 0.40 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3gjx h LEU 376 CO 0.03 -0.33 0.15 0.00 -0.34 0.00 0.00 178.44 177.94 3gjx h ALA 377 N 0.35 0.40 -0.73 1.25 0.00 -1.23 0.66 119.26 119.97 3gjx h ALA 377 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gjx h ALA 377 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3gjx h ALA 377 CO -0.17 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.32 3gjx h ALA 378 N 1.19 1.52 -0.39 0.00 0.00 -0.82 0.14 119.26 120.90 3gjx h ALA 378 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3gjx h ALA 378 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3gjx h ALA 378 CO -0.12 0.43 -0.20 0.93 0.00 0.00 0.00 179.25 180.29 3gjx h GLU 379 N 0.95 0.83 0.00 0.00 4.39 0.04 -1.05 114.58 119.74 3gjx h GLU 379 Ca 0.28 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 3gjx h GLU 379 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3gjx h GLU 379 CO -0.07 1.00 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.25 3gjx h LEU 380 N 0.64 0.00 -0.33 1.33 3.38 -0.54 -2.18 115.31 117.62 3gjx h LEU 380 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 380 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3gjx h LEU 380 CO 0.06 0.46 -0.84 0.22 0.09 0.00 0.00 178.44 178.43 3gjx h TYR 381 N 0.00 0.35 -0.02 1.13 3.20 -0.60 -2.08 116.97 118.95 3gjx h TYR 381 Ca -0.00 -0.18 -0.14 0.00 3.14 0.00 0.00 58.73 61.55 3gjx h TYR 381 Cb 1.17 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3gjx h TYR 381 CO 0.00 0.97 -0.63 0.00 -1.64 0.00 0.00 178.16 176.86 3gjx h ARG 382 N 0.14 0.07 -0.36 1.82 3.08 -1.00 -2.71 114.38 115.42 3gjx h ARG 382 Ca -0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3gjx h ARG 382 Cb 1.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 3gjx h ARG 382 CO 0.13 0.68 0.08 1.49 -1.07 0.00 0.00 179.97 181.28 3gjx h GLU 383 N 0.05 0.58 -1.42 0.04 4.81 -1.33 -3.45 114.58 113.86 3gjx h GLU 383 Ca -0.01 -0.14 0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3gjx h GLU 383 Cb 1.13 -0.07 -0.24 0.00 0.63 0.00 0.00 28.75 30.19 3gjx h GLU 383 CO 0.09 0.63 0.19 0.45 -0.73 0.00 0.00 179.01 179.63 3gjx s SER 384 N -5.95 -0.69 -0.26 1.04 0.15 -0.79 -5.05 113.70 102.15 3gjx s SER 384 Ca -0.13 1.00 0.09 0.00 0.70 0.00 0.00 55.95 57.61 3gjx s SER 384 Cb 0.09 1.63 0.66 0.00 -1.71 0.00 0.00 66.02 66.69 3gjx s SER 384 CO 0.76 -0.15 1.64 -0.81 1.20 0.00 0.00 173.24 175.88 3gjx n PRO 385 N 4.65 3.64 -4.39 5.44 -0.04 -1.04 -4.20 135.00 139.06 3gjx n PRO 385 Ca -0.13 -2.65 -0.24 0.00 -0.04 0.00 0.00 63.50 60.44 3gjx n PRO 385 Cb 0.54 -2.11 -0.09 0.00 -0.04 0.00 0.00 33.50 31.80 3gjx n PRO 385 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gjx s PHE 386 N -2.60 2.47 0.34 0.54 2.99 -1.26 -4.60 117.98 115.87 3gjx s PHE 386 Ca 0.47 -0.29 -0.21 0.00 0.00 0.00 0.00 56.93 56.91 3gjx s PHE 386 Cb 0.37 -1.09 -0.10 0.00 0.00 0.00 0.00 43.02 42.20 3gjx s PHE 386 CO 0.12 0.67 0.86 0.45 -0.00 0.00 0.00 175.22 177.33 3gjx s SER 387 N -3.59 7.04 1.04 1.36 0.15 -1.14 -4.50 113.70 114.06 3gjx s SER 387 Ca 0.31 1.60 -0.15 0.00 0.70 0.00 0.00 55.95 58.40 3gjx s SER 387 Cb -0.05 -2.50 0.21 0.00 -1.71 0.00 0.00 66.02 61.97 3gjx s SER 387 CO 0.17 -0.18 1.15 0.42 1.20 0.00 0.00 173.24 176.00 3gjx s THR 388 N -1.86 1.87 0.33 6.45 -4.23 -1.26 -4.94 115.64 112.00 3gjx s THR 388 Ca 0.54 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.78 3gjx s THR 388 Cb -0.13 -2.64 -0.13 0.00 1.34 0.00 0.00 72.50 70.93 3gjx s THR 388 CO 0.18 0.00 1.02 -0.24 -0.54 0.00 0.00 174.62 175.04 3gjx n SER 389 N -4.19 1.36 0.02 3.99 2.88 -1.26 -4.90 113.62 111.51 3gjx n SER 389 Ca 0.10 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.58 3gjx n SER 389 Cb 0.59 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 62.64 3gjx n SER 389 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gjx h ALA 390 N 1.89 0.19 -1.36 -1.46 0.00 -2.06 -3.46 119.26 113.00 3gjx h ALA 390 Ca -0.41 -0.66 -0.61 0.00 0.00 0.00 0.00 54.91 53.23 3gjx h ALA 390 Cb 1.34 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 3gjx h ALA 390 CO 0.59 0.68 -0.57 -1.54 0.00 0.00 0.00 179.25 178.41 3gjx s SER 391 N -7.22 3.57 0.98 0.00 1.04 -1.26 -5.14 113.70 105.66 3gjx s SER 391 Ca -0.10 -1.48 -0.12 0.00 0.48 0.00 0.00 55.95 54.73 3gjx s SER 391 Cb 0.07 0.00 0.18 0.00 0.10 0.00 0.00 66.02 66.38 3gjx s SER 391 CO 0.92 -0.64 1.09 -2.84 0.98 0.00 0.00 173.24 172.75 3gjx s PRO 392 N -3.79 0.58 0.57 4.02 0.02 -1.26 -5.04 135.00 130.10 3gjx s PRO 392 Ca 0.26 0.57 0.08 0.00 0.02 0.00 0.00 61.00 61.93 3gjx s PRO 392 Cb 0.07 -1.75 0.08 0.00 0.02 0.00 0.00 34.50 32.92 3gjx s PRO 392 CO 0.13 -2.64 0.79 -0.48 -0.33 0.00 0.00 177.00 174.46 3gjx s LEU 393 N -6.42 3.18 0.00 -5.54 0.05 -1.26 -4.93 118.68 103.77 3gjx s LEU 393 Ca 0.65 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 54.14 3gjx s LEU 393 Cb -0.18 -1.88 0.00 0.00 -2.05 0.00 0.00 46.19 42.07 3gjx s LEU 393 CO 0.57 -1.32 0.76 0.18 -0.55 0.00 0.00 176.35 175.99 3gjx n LEU 394 N -2.27 0.00 0.00 1.48 4.77 -1.26 -4.39 117.00 115.33 3gjx n LEU 394 Ca 0.14 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 3gjx n LEU 394 Cb 0.61 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3gjx n LEU 394 CO 0.40 -0.28 -0.03 -0.24 -1.33 0.00 0.00 177.39 175.91 3gjx n SER 395 N -1.26 0.40 -2.21 -1.43 2.88 -1.26 -5.06 113.62 105.68 3gjx n SER 395 Ca 0.00 -1.46 -0.30 0.00 -1.33 0.00 0.00 58.87 55.78 3gjx n SER 395 Cb 0.16 0.29 0.10 0.00 -0.75 0.00 0.00 64.21 64.01 3gjx n SER 395 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gjx n GLY 396 N 0.73 5.63 0.00 0.46 0.00 -1.26 -4.73 105.19 106.01 3gjx n GLY 396 Ca 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.97 3gjx n GLY 396 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gjx n SER 397 N -0.95 0.00 -0.92 1.61 2.88 -1.26 -4.74 113.62 110.24 3gjx n SER 397 Ca 0.58 -0.18 -0.11 0.00 -1.33 0.00 0.00 58.87 57.84 3gjx n SER 397 Cb 0.91 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.33 3gjx n SER 397 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gjx n GLN 398 N -0.84 -0.78 -2.15 -1.46 1.13 -1.26 -4.39 117.38 107.63 3gjx n GLN 398 Ca 0.02 0.81 -0.00 0.00 -1.94 0.00 0.00 57.00 55.90 3gjx n GLN 398 Cb 0.01 -4.81 -0.00 0.00 0.11 0.00 0.00 30.24 25.55 3gjx n GLN 398 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3gjx n HIS 399 N -2.95 -1.43 0.19 1.08 8.25 -1.26 -4.62 115.22 114.49 3gjx n HIS 399 Ca -0.11 0.85 0.01 0.00 -0.26 0.00 0.00 57.72 58.21 3gjx n HIS 399 Cb 0.41 -1.84 0.08 0.00 1.12 0.00 0.00 29.99 29.75 3gjx n HIS 399 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3gjx n PHE 400 N 1.97 0.00 -0.28 4.41 1.16 -1.26 -3.11 117.46 120.35 3gjx n PHE 400 Ca -0.01 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.65 3gjx n PHE 400 Cb 0.01 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.18 3gjx n PHE 400 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 3gjx h ASP 401 N 0.00 0.79 -2.96 5.98 5.19 -1.96 -3.43 116.42 120.03 3gjx h ASP 401 Ca 0.00 0.02 -0.57 0.00 -0.62 0.00 0.00 57.03 55.87 3gjx h ASP 401 Cb 0.00 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 3gjx h ASP 401 CO 0.00 0.46 1.04 -0.51 -3.12 0.00 0.00 179.24 177.11 3gjx s ILE 402 N -5.80 3.93 0.44 0.35 2.07 -1.18 -4.97 121.20 116.03 3gjx s ILE 402 Ca -0.11 1.05 -0.24 0.00 -1.41 0.00 0.00 60.65 59.94 3gjx s ILE 402 Cb 0.21 -3.94 -0.10 0.00 0.13 0.00 0.00 42.46 38.76 3gjx s ILE 402 CO 0.79 -0.39 1.15 -2.65 -1.91 0.00 0.00 174.94 171.94 3gjx n PRO 403 N 7.47 1.61 -0.25 3.50 -0.02 -1.26 -4.83 135.00 141.22 3gjx n PRO 403 Ca 0.17 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3gjx n PRO 403 Cb 0.46 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 3gjx n PRO 403 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gjx h PRO 404 N 1.73 0.69 -0.04 0.52 0.11 -1.96 -2.56 132.00 130.50 3gjx h PRO 404 Ca -0.47 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.35 3gjx h PRO 404 Cb 1.32 -0.16 0.02 0.00 0.11 0.00 0.00 31.00 32.29 3gjx h PRO 404 CO 0.58 0.46 -0.97 0.00 -0.21 0.00 0.00 178.00 177.86 3gjx h ARG 405 N 0.71 0.70 0.00 1.05 3.08 -2.01 -3.21 114.38 114.70 3gjx h ARG 405 Ca 0.33 -0.70 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 3gjx h ARG 405 Cb 0.25 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3gjx h ARG 405 CO -0.21 1.29 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.70 3gjx h ARG 406 N 0.42 0.00 -0.48 0.04 2.43 -1.87 -2.83 114.38 112.09 3gjx h ARG 406 Ca -0.10 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3gjx h ARG 406 Cb 1.61 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.12 3gjx h ARG 406 CO 0.19 0.18 0.25 0.37 -1.51 0.00 0.00 179.97 179.45 3gjx h GLN 407 N 0.00 0.48 0.00 0.20 5.75 -1.46 -1.50 115.11 118.57 3gjx h GLN 407 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3gjx h GLN 407 Cb 0.33 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3gjx h GLN 407 CO 0.02 0.31 0.00 -0.07 -2.65 0.00 0.00 178.83 176.45 3gjx h LEU 408 N 0.49 0.00 -0.67 -2.39 3.38 -1.64 -2.85 115.31 111.63 3gjx h LEU 408 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gjx h LEU 408 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gjx h LEU 408 CO -0.14 0.00 -0.31 -1.22 0.09 0.00 0.00 178.44 176.86 3gjx n TYR 409 N -2.79 0.00 -0.21 1.13 4.01 -0.62 -4.79 117.16 113.89 3gjx n TYR 409 Ca -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3gjx n TYR 409 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3gjx n TYR 409 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3gjx n LEU 410 N -0.39 -0.37 0.07 7.72 4.77 -0.88 -0.53 117.00 127.38 3gjx n LEU 410 Ca 0.05 0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 56.96 3gjx n LEU 410 Cb 0.25 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3gjx n LEU 410 CO 0.17 -0.84 0.01 0.71 -1.33 0.00 0.00 177.39 176.11 3gjx h THR 411 N 0.00 0.83 -0.24 -5.08 1.35 -1.86 -3.01 112.91 104.89 3gjx h THR 411 Ca 0.18 -2.34 -0.20 0.00 -0.55 0.00 0.00 66.41 63.50 3gjx h THR 411 Cb 0.31 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3gjx h THR 411 CO -0.53 0.47 -0.64 0.58 -0.25 0.00 0.00 175.52 175.15 3gjx h VAL 412 N 0.00 1.27 -0.86 6.82 2.07 -1.24 -2.96 116.25 121.37 3gjx h VAL 412 Ca -0.10 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.69 3gjx h VAL 412 Cb 1.58 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 3gjx h VAL 412 CO 0.07 0.59 0.56 -0.07 0.02 0.00 0.00 177.57 178.73 3gjx h LEU 413 N 0.62 0.76 -0.74 2.57 3.38 -0.77 0.57 115.31 121.70 3gjx h LEU 413 Ca -0.01 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3gjx h LEU 413 Cb 1.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3gjx h LEU 413 CO 0.14 0.45 -0.00 0.28 0.09 0.00 0.00 178.44 179.40 3gjx h SER 414 N 0.84 0.94 0.43 -0.43 0.02 -1.47 -0.92 113.55 112.96 3gjx h SER 414 Ca 0.39 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3gjx h SER 414 Cb 0.41 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3gjx h SER 414 CO -0.16 0.99 -0.70 0.11 -1.14 0.00 0.00 176.83 175.93 3gjx h LYS 415 N 0.88 0.23 -0.26 3.45 1.57 -1.09 -2.27 116.57 119.08 3gjx h LYS 415 Ca 0.16 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3gjx h LYS 415 Cb 0.52 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3gjx h LYS 415 CO 0.03 0.84 0.06 0.28 -0.57 0.00 0.00 179.45 180.08 3gjx h VAL 416 N 0.16 1.22 -0.61 0.50 2.07 -0.73 -0.38 116.25 118.48 3gjx h VAL 416 Ca -0.02 -0.73 0.12 0.00 0.82 0.00 0.00 66.70 66.88 3gjx h VAL 416 Cb 1.25 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 3gjx h VAL 416 CO 0.11 0.24 0.12 0.03 0.02 0.00 0.00 177.57 178.09 3gjx h ARG 417 N 0.25 0.25 -0.19 1.57 3.08 -1.12 0.15 114.38 118.37 3gjx h ARG 417 Ca 0.08 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3gjx h ARG 417 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3gjx h ARG 417 CO 0.00 0.16 -0.00 1.25 -1.07 0.00 0.00 179.97 180.31 3gjx h LEU 418 N 0.25 0.25 -0.21 3.04 5.85 -1.13 -1.30 115.31 122.06 3gjx h LEU 418 Ca 0.32 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 3gjx h LEU 418 Cb 0.48 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3gjx h LEU 418 CO -0.41 0.30 -0.16 0.25 -0.34 0.00 0.00 178.44 178.08 3gjx h LEU 419 N 0.27 0.51 -0.84 2.25 5.85 0.79 -1.81 115.31 122.33 3gjx h LEU 419 Ca 0.06 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3gjx h LEU 419 Cb 0.19 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3gjx h LEU 419 CO 0.00 0.85 0.34 0.24 -0.34 0.00 0.00 178.44 179.54 3gjx h MET 420 N 0.17 1.19 -0.19 1.25 2.86 -0.19 -1.74 114.93 118.28 3gjx h MET 420 Ca 0.04 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 3gjx h MET 420 Cb 0.69 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3gjx h MET 420 CO 0.04 0.94 -0.27 0.28 1.06 0.00 0.00 176.91 178.96 3gjx h VAL 421 N 1.16 1.34 0.00 -2.22 2.07 -1.31 -2.37 116.25 114.91 3gjx h VAL 421 Ca 0.27 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3gjx h VAL 421 Cb 0.18 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3gjx h VAL 421 CO -0.03 0.45 -0.47 0.28 0.02 0.00 0.00 177.57 177.83 3gjx h SER 422 N 0.19 0.00 0.00 0.57 0.02 -1.10 -3.26 113.55 109.97 3gjx h SER 422 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gjx h SER 422 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3gjx h SER 422 CO 0.06 0.47 -0.07 0.54 -1.14 0.00 0.00 176.83 176.69 3gjx n ARG 423 N -3.81 1.34 -1.55 3.45 5.12 -0.67 -4.97 116.66 115.57 3gjx n ARG 423 Ca -0.01 -2.09 -0.49 0.00 -1.93 0.00 0.00 57.85 53.33 3gjx n ARG 423 Cb 0.51 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.54 3gjx n ARG 423 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3gjx n MET 424 N -1.01 0.94 -1.70 5.56 0.00 -0.89 -4.90 117.12 115.10 3gjx n MET 424 Ca 0.10 0.33 -0.31 0.00 -0.00 0.00 0.00 57.70 57.83 3gjx n MET 424 Cb 0.58 -1.76 0.05 0.00 0.00 0.00 0.00 33.22 32.08 3gjx n MET 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gjx s ALA 425 N -0.34 2.72 0.01 -5.12 0.00 -1.26 -4.86 121.76 112.92 3gjx s ALA 425 Ca 0.73 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 3gjx s ALA 425 Cb -0.89 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.05 3gjx s ALA 425 CO 0.54 -1.20 1.78 0.15 0.00 0.00 0.00 175.76 177.02 3gjx s LYS 426 N -5.17 4.17 0.44 0.00 3.01 -1.26 -4.89 119.74 116.03 3gjx s LYS 426 Ca 0.58 2.40 0.30 0.00 -1.01 0.00 0.00 55.97 58.24 3gjx s LYS 426 Cb -0.13 -3.96 1.35 0.00 -1.01 0.00 0.00 37.83 34.08 3gjx s LYS 426 CO 0.54 -0.87 1.90 -1.00 0.51 0.00 0.00 175.35 176.44 3gjx h PRO 427 N 9.66 0.00 -3.91 -1.68 0.13 -1.94 -3.44 132.00 130.82 3gjx h PRO 427 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.42 3gjx h PRO 427 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 3gjx h PRO 427 CO 0.94 0.00 -0.73 -1.21 -0.23 0.00 0.00 178.00 176.77 3gjx s GLU 428 N -3.59 0.15 -0.64 0.86 2.02 -1.26 -5.01 118.70 111.23 3gjx s GLU 428 Ca 0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 3gjx s GLU 428 Cb 0.09 -0.16 0.16 0.00 0.10 0.00 0.00 34.13 34.32 3gjx s GLU 428 CO 0.43 0.03 0.44 -2.00 0.02 0.00 0.00 175.26 174.18 3gjx s GLU 429 N 0.04 2.50 -0.12 1.61 2.56 -1.26 -5.07 118.70 118.96 3gjx s GLU 429 Ca -0.00 -2.69 -0.08 0.00 0.00 0.00 0.00 54.97 52.20 3gjx s GLU 429 Cb -0.02 -3.64 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 3gjx s GLU 429 CO -0.00 -1.18 0.16 0.54 -0.56 0.00 0.00 175.26 174.22 3gjx s VAL 430 N -0.35 5.46 -0.03 3.70 0.11 -1.26 -0.75 120.40 127.28 3gjx s VAL 430 Ca 0.19 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 3gjx s VAL 430 Cb -0.19 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 3gjx s VAL 430 CO -0.04 0.59 0.02 -0.22 -3.33 0.00 0.00 175.10 172.12 3gjx s LEU 431 N -0.84 1.04 0.01 2.54 2.96 0.68 -4.98 118.68 120.10 3gjx s LEU 431 Ca 0.15 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 3gjx s LEU 431 Cb -0.12 -0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 3gjx s LEU 431 CO 0.04 -0.13 1.31 -0.69 -1.32 0.00 0.00 176.35 175.56 3gjx s VAL 432 N 1.14 3.86 -0.05 1.68 1.01 -1.26 -0.04 120.40 126.74 3gjx s VAL 432 Ca -0.08 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 3gjx s VAL 432 Cb -0.13 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3gjx s VAL 432 CO -0.02 0.03 0.00 -0.69 0.00 0.00 0.00 175.10 174.42 3gjx s VAL 433 N 1.91 0.29 -0.03 2.92 1.01 -0.34 -4.91 120.40 121.25 3gjx s VAL 433 Ca 0.61 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 3gjx s VAL 433 Cb -0.30 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3gjx s VAL 433 CO 0.26 0.22 1.11 -1.61 0.00 0.00 0.00 175.10 175.08 3gjx s GLU 434 N 1.58 4.42 0.00 2.72 8.01 -1.25 -2.64 118.70 131.54 3gjx s GLU 434 Ca -0.01 1.58 0.00 0.00 0.01 0.00 0.00 54.97 56.54 3gjx s GLU 434 Cb -0.13 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 3gjx s GLU 434 CO -0.03 -0.30 0.00 0.27 0.01 0.00 0.00 175.26 175.21 3gjx n ASN 435 N 4.66 0.00 -0.18 -0.19 0.23 0.64 -4.88 115.26 115.55 3gjx n ASN 435 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 3gjx n ASN 435 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3gjx n ASN 435 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gjx n ASP 436 N 0.00 0.18 -3.66 0.53 10.43 -1.26 -4.71 116.55 118.06 3gjx n ASP 436 Ca 0.00 -1.02 -0.11 0.00 2.57 0.00 0.00 54.79 56.24 3gjx n ASP 436 Cb 0.00 -0.09 -0.04 0.00 1.84 0.00 0.00 41.12 42.83 3gjx n ASP 436 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3gjx s GLN 437 N -1.65 1.73 0.54 -1.24 -0.21 -1.26 -5.01 119.66 112.56 3gjx s GLN 437 Ca 0.00 -1.43 0.22 0.00 0.02 0.00 0.00 55.36 54.17 3gjx s GLN 437 Cb 0.00 0.48 0.75 0.00 1.00 0.00 0.00 33.01 35.23 3gjx s GLN 437 CO 0.00 -0.73 1.13 0.41 -2.12 0.00 0.00 175.29 173.98 3gjx n GLY 438 N -0.45 -0.66 3.68 3.09 0.00 -1.26 -4.67 105.19 104.92 3gjx n GLY 438 Ca -0.01 0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.85 3gjx n GLY 438 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gjx n GLU 439 N -2.97 2.32 -2.30 1.61 1.02 -1.26 -4.80 120.64 114.26 3gjx n GLU 439 Ca 0.19 0.84 -0.26 0.00 -0.02 0.00 0.00 57.16 57.91 3gjx n GLU 439 Cb 1.33 -2.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 3gjx n GLU 439 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3gjx n VAL 440 N 4.29 2.46 -0.52 2.62 0.24 -1.26 -0.26 118.33 125.90 3gjx n VAL 440 Ca 0.19 -4.66 -0.30 0.00 -2.04 0.00 0.00 64.34 57.53 3gjx n VAL 440 Cb 0.31 -1.22 0.27 0.00 -1.47 0.00 0.00 33.84 31.73 3gjx n VAL 440 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3gjx s VAL 441 N -5.20 1.51 -0.05 3.34 -7.23 -1.08 -4.43 120.40 107.25 3gjx s VAL 441 Ca 0.49 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.50 3gjx s VAL 441 Cb 0.41 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 3gjx s VAL 441 CO -0.11 0.00 0.43 -0.13 -0.31 0.00 0.00 175.10 174.98 3gjx s ARG 442 N -4.92 4.11 -0.08 4.82 0.52 -1.26 -1.20 118.95 120.94 3gjx s ARG 442 Ca 0.69 0.41 0.03 0.00 -0.52 0.00 0.00 55.73 56.34 3gjx s ARG 442 Cb -0.17 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 3gjx s ARG 442 CO 0.60 0.46 -0.17 -2.00 0.02 0.00 0.00 175.30 174.20 3gjx s GLU 443 N -0.34 2.87 -0.15 3.54 2.56 0.94 -4.92 118.70 123.21 3gjx s GLU 443 Ca 0.24 -0.76 -0.10 0.00 0.00 0.00 0.00 54.97 54.35 3gjx s GLU 443 Cb -0.16 -2.41 -0.05 0.00 2.00 0.00 0.00 34.13 33.52 3gjx s GLU 443 CO 0.12 0.38 0.20 -0.06 -0.56 0.00 0.00 175.26 175.34 3gjx s PHE 444 N -0.12 3.51 0.24 5.30 0.08 -1.26 -0.23 117.98 125.50 3gjx s PHE 444 Ca -0.03 0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.41 3gjx s PHE 444 Cb -0.14 -2.14 -0.08 0.00 -0.57 0.00 0.00 43.02 40.09 3gjx s PHE 444 CO 0.04 0.45 0.62 -1.64 -0.10 0.00 0.00 175.22 174.59 3gjx s MET 445 N -0.19 3.93 -0.20 0.44 -1.94 0.07 -5.00 119.30 116.41 3gjx s MET 445 Ca 0.14 0.48 -0.07 0.00 -1.71 0.00 0.00 55.69 54.53 3gjx s MET 445 Cb -0.12 -2.65 -0.10 0.00 2.01 0.00 0.00 34.83 33.97 3gjx s MET 445 CO 0.03 0.30 -0.23 1.17 -0.01 0.00 0.00 175.02 176.27 3gjx n LYS 446 N 0.02 0.44 -2.49 2.03 4.81 -1.26 -4.62 118.16 117.09 3gjx n LYS 446 Ca 0.00 0.17 -0.10 0.00 -0.87 0.00 0.00 58.31 57.50 3gjx n LYS 446 Cb 0.52 -1.26 0.04 0.00 0.02 0.00 0.00 35.03 34.35 3gjx n LYS 446 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gjx n ASP 447 N -3.66 3.01 -4.87 3.14 8.00 -1.26 -4.95 116.55 115.97 3gjx n ASP 447 Ca -0.38 -2.77 -0.31 0.00 0.71 0.00 0.00 54.79 52.04 3gjx n ASP 447 Cb 0.80 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 3gjx n ASP 447 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gjx s THR 448 N -4.15 4.70 0.32 -3.53 -4.23 -1.26 -4.86 115.64 102.63 3gjx s THR 448 Ca 0.37 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.79 3gjx s THR 448 Cb 0.36 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.70 3gjx s THR 448 CO -0.01 -0.89 1.79 -0.78 -0.54 0.00 0.00 174.62 174.19 3gjx h ASP 449 N 0.33 0.74 -0.40 3.99 -0.00 -1.99 -0.11 116.42 118.98 3gjx h ASP 449 Ca -0.46 0.09 -0.01 0.00 -0.00 0.00 0.00 57.03 56.65 3gjx h ASP 449 Cb 1.19 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 40.46 3gjx h ASP 449 CO 0.62 0.27 0.20 0.77 -0.00 0.00 0.00 179.24 181.10 3gjx h SER 450 N 0.72 0.51 -0.16 2.28 4.64 -1.98 -0.90 113.55 118.66 3gjx h SER 450 Ca 0.56 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.71 3gjx h SER 450 Cb 0.93 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 3gjx h SER 450 CO -0.35 0.47 -0.10 0.40 -0.87 0.00 0.00 176.83 176.39 3gjx h ILE 451 N 0.51 1.22 -0.54 0.95 2.04 -1.42 -2.49 117.51 117.78 3gjx h ILE 451 Ca 0.14 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 3gjx h ILE 451 Cb 0.09 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3gjx h ILE 451 CO -0.02 0.32 -0.06 -1.13 0.00 0.00 0.00 178.15 177.26 3gjx h ASN 452 N 0.47 0.96 -0.59 1.72 -0.00 -0.65 -0.74 115.58 116.75 3gjx h ASN 452 Ca 0.09 -0.29 0.05 0.00 -0.00 0.00 0.00 56.30 56.15 3gjx h ASN 452 Cb 0.46 -0.26 -0.05 0.00 -0.00 0.00 0.00 38.32 38.47 3gjx h ASN 452 CO 0.02 1.05 0.32 0.25 -0.00 0.00 0.00 177.43 179.07 3gjx h LEU 453 N 0.88 0.48 -0.00 0.34 5.85 -0.84 -1.68 115.31 120.34 3gjx h LEU 453 Ca 0.15 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gjx h LEU 453 Cb 0.60 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3gjx h LEU 453 CO 0.04 0.32 0.00 0.22 -0.34 0.00 0.00 178.44 178.68 3gjx h TYR 454 N 0.61 0.00 -0.73 1.25 3.20 -0.97 -1.18 116.97 119.15 3gjx h TYR 454 Ca 0.26 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.23 3gjx h TYR 454 Cb 0.14 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 3gjx h TYR 454 CO -0.09 0.12 0.36 0.87 -1.64 0.00 0.00 178.16 177.79 3gjx h LYS 455 N -0.12 0.58 -0.08 1.82 1.79 -0.98 -0.29 116.57 119.30 3gjx h LYS 455 Ca 0.00 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 3gjx h LYS 455 Cb 0.12 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3gjx h LYS 455 CO -0.00 0.39 -0.47 -0.91 -1.08 0.00 0.00 179.45 177.38 3gjx h ASN 456 N 0.60 0.20 -0.02 0.86 -0.26 -1.06 0.16 115.58 116.06 3gjx h ASN 456 Ca 0.37 -0.09 -0.15 0.00 -0.56 0.00 0.00 56.30 55.86 3gjx h ASN 456 Cb 0.42 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3gjx h ASN 456 CO -0.29 0.64 -0.59 0.24 -1.06 0.00 0.00 177.43 176.37 3gjx h MET 457 N 0.15 0.43 -0.19 0.81 2.86 -0.83 -2.26 114.93 115.90 3gjx h MET 457 Ca 0.01 -0.44 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 3gjx h MET 457 Cb 0.89 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.63 3gjx h MET 457 CO 0.07 1.10 -0.08 -0.09 1.06 0.00 0.00 176.91 178.97 3gjx h ARG 458 N -0.06 -0.05 -0.40 1.72 2.43 -0.88 0.06 114.38 117.20 3gjx h ARG 458 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3gjx h ARG 458 Cb 1.29 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3gjx h ARG 458 CO 0.12 -0.03 0.25 1.49 -1.51 0.00 0.00 179.97 180.28 3gjx h GLU 459 N -0.05 0.54 -0.06 0.20 4.81 -0.71 0.49 114.58 119.80 3gjx h GLU 459 Ca 0.10 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3gjx h GLU 459 Cb 0.21 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3gjx h GLU 459 CO -0.23 0.39 -0.28 1.15 -0.73 0.00 0.00 179.01 179.31 3gjx h THR 460 N 0.53 0.36 -0.49 0.32 2.02 -1.13 -0.74 112.91 113.77 3gjx h THR 460 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3gjx h THR 460 Cb -0.02 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3gjx h THR 460 CO -0.03 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.36 3gjx h LEU 461 N -0.40 0.61 -0.18 2.58 5.85 -0.28 -2.20 115.31 121.29 3gjx h LEU 461 Ca 0.08 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3gjx h LEU 461 Cb 0.51 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3gjx h LEU 461 CO -0.28 0.51 -0.11 0.58 -0.34 0.00 0.00 178.44 178.80 3gjx h VAL 462 N 0.69 1.32 -0.11 1.05 2.07 0.43 -1.86 116.25 119.83 3gjx h VAL 462 Ca 0.17 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3gjx h VAL 462 Cb 0.05 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3gjx h VAL 462 CO -0.03 0.36 -0.19 1.88 0.02 0.00 0.00 177.57 179.61 3gjx h TYR 463 N 0.07 -0.49 0.00 1.57 0.05 -0.87 -2.36 116.97 114.95 3gjx h TYR 463 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3gjx h TYR 463 Cb 0.60 0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3gjx h TYR 463 CO 0.07 -0.26 0.00 -0.07 -1.05 0.00 0.00 178.16 176.84 3gjx h LEU 464 N -0.25 0.00 0.00 3.88 3.38 -1.26 -0.42 115.31 120.64 3gjx h LEU 464 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3gjx h LEU 464 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3gjx h LEU 464 CO -0.26 0.00 -1.03 0.74 0.09 0.00 0.00 178.44 177.98 3gjx h THR 465 N 0.00 0.48 -0.08 0.22 2.02 -0.82 -2.35 112.91 112.38 3gjx h THR 465 Ca 0.00 -1.83 -0.17 0.00 0.77 0.00 0.00 66.41 65.18 3gjx h THR 465 Cb 0.19 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3gjx h THR 465 CO 0.00 0.27 -0.69 0.45 0.37 0.00 0.00 175.52 175.92 3gjx h HIS 466 N 0.00 0.49 0.00 3.16 3.86 -0.78 -0.70 115.15 121.19 3gjx h HIS 466 Ca -0.08 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 58.81 3gjx h HIS 466 Cb 1.40 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.78 3gjx h HIS 466 CO 0.00 0.94 -0.65 -0.07 0.86 0.00 0.00 177.93 179.01 3gjx h LEU 467 N 0.26 0.00 -5.00 2.43 3.38 -1.46 -3.02 115.31 111.91 3gjx h LEU 467 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 467 Cb 1.25 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 3gjx h LEU 467 CO 0.12 0.44 -0.35 -0.67 0.09 0.00 0.00 178.44 178.07 3gjx n ASP 468 N -3.12 -2.68 0.15 -0.43 4.64 -0.89 -4.34 116.55 109.88 3gjx n ASP 468 Ca -0.00 -2.19 0.01 0.00 -1.38 0.00 0.00 54.79 51.23 3gjx n ASP 468 Cb 0.73 1.37 0.32 0.00 -1.04 0.00 0.00 41.12 42.50 3gjx n ASP 468 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 3gjx h TYR 469 N 4.64 0.11 -0.70 -0.67 -0.00 -1.32 -2.64 116.97 116.38 3gjx h TYR 469 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3gjx h TYR 469 Cb 1.13 -0.03 -0.03 0.00 0.00 0.00 0.00 36.73 37.80 3gjx h TYR 469 CO 0.03 0.44 0.46 0.28 -0.00 0.00 0.00 178.16 179.37 3gjx h VAL 470 N 0.08 1.18 -0.15 -0.90 2.07 -1.95 0.20 116.25 116.78 3gjx h VAL 470 Ca 0.01 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 3gjx h VAL 470 Cb 0.67 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3gjx h VAL 470 CO 0.05 0.18 -0.52 -0.78 0.02 0.00 0.00 177.57 176.52 3gjx h ASP 471 N 0.96 0.46 -0.40 0.57 3.58 -1.87 -1.51 116.42 118.21 3gjx h ASP 471 Ca 0.26 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 3gjx h ASP 471 Cb -0.10 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3gjx h ASP 471 CO -0.05 0.90 -0.21 0.74 -2.88 0.00 0.00 179.24 177.73 3gjx h THR 472 N 0.33 1.27 0.00 2.25 2.02 -1.10 -1.32 112.91 116.35 3gjx h THR 472 Ca 0.01 -1.35 -0.14 0.00 0.77 0.00 0.00 66.41 65.70 3gjx h THR 472 Cb 1.02 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3gjx h THR 472 CO 0.09 0.46 -0.65 -0.08 0.37 0.00 0.00 175.52 175.71 3gjx h GLU 473 N 0.78 0.00 0.14 6.66 4.81 -0.89 -1.19 114.58 124.89 3gjx h GLU 473 Ca 0.11 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.03 3gjx h GLU 473 Cb 0.76 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.17 3gjx h GLU 473 CO 0.06 0.65 -1.28 0.82 -0.73 0.00 0.00 179.01 178.53 3gjx h ILE 474 N 0.00 1.29 -0.38 2.32 2.04 -1.20 -1.18 117.51 120.40 3gjx h ILE 474 Ca -0.01 -2.52 -0.02 0.00 1.00 0.00 0.00 64.86 63.32 3gjx h ILE 474 Cb 1.32 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 40.13 3gjx h ILE 474 CO 0.08 0.76 0.18 0.40 0.00 0.00 0.00 178.15 179.58 3gjx h ILE 475 N 0.25 1.17 -0.02 -0.67 2.04 -1.27 -1.71 117.51 117.31 3gjx h ILE 475 Ca -0.20 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 3gjx h ILE 475 Cb 1.95 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3gjx h ILE 475 CO 0.24 0.19 -0.43 0.24 0.00 0.00 0.00 178.15 178.39 3gjx h MET 476 N 0.48 0.05 -0.09 2.37 2.86 -1.23 -2.30 114.93 117.08 3gjx h MET 476 Ca 0.13 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3gjx h MET 476 Cb 0.13 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.80 3gjx h MET 476 CO -0.02 0.48 -0.41 1.15 1.06 0.00 0.00 176.91 179.17 3gjx h THR 477 N 0.04 1.39 -0.28 2.22 2.02 -1.15 -1.93 112.91 115.23 3gjx h THR 477 Ca 0.00 -1.77 0.01 0.00 0.77 0.00 0.00 66.41 65.43 3gjx h THR 477 Cb 0.79 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 3gjx h THR 477 CO 0.06 0.52 0.15 0.50 0.37 0.00 0.00 175.52 177.12 3gjx h LYS 478 N -0.01 0.30 -0.60 6.66 3.64 -1.24 -1.25 116.57 124.07 3gjx h LYS 478 Ca -0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3gjx h LYS 478 Cb 1.05 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 3gjx h LYS 478 CO 0.08 0.20 0.24 0.87 -2.27 0.00 0.00 179.45 178.58 3gjx h LYS 479 N 0.31 0.88 -0.12 1.90 1.57 -1.43 -0.85 116.57 118.83 3gjx h LYS 479 Ca 0.11 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3gjx h LYS 479 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3gjx h LYS 479 CO -0.06 0.72 0.06 1.25 -0.57 0.00 0.00 179.45 180.84 3gjx h LEU 480 N 0.86 0.09 -1.11 2.94 5.85 -0.91 -2.67 115.31 120.37 3gjx h LEU 480 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3gjx h LEU 480 Cb 0.17 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3gjx h LEU 480 CO -0.02 0.07 0.54 1.56 -0.34 0.00 0.00 178.44 180.26 3gjx h GLN 481 N 0.13 1.15 0.00 1.25 1.08 -0.61 0.62 115.11 118.74 3gjx h GLN 481 Ca 0.05 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3gjx h GLN 481 Cb 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 3gjx h GLN 481 CO -0.03 0.78 0.00 0.09 -0.95 0.00 0.00 178.83 178.72 3gjx n ASN 482 N -4.38 0.48 -0.10 1.46 3.02 -0.38 -0.59 115.26 114.77 3gjx n ASN 482 Ca 0.10 0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 55.13 3gjx n ASN 482 Cb 0.04 -0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 38.34 3gjx n ASN 482 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3gjx h GLN 483 N 0.00 0.00 -0.55 3.52 1.08 -0.58 2.49 115.11 121.07 3gjx h GLN 483 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3gjx h GLN 483 Cb 0.13 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3gjx h GLN 483 CO 0.00 0.95 0.28 0.28 -0.95 0.00 0.00 178.83 179.39 3gjx h VAL 484 N -1.00 1.19 0.00 -0.54 2.07 -0.56 -3.39 116.25 114.02 3gjx h VAL 484 Ca -0.26 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3gjx h VAL 484 Cb 1.19 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3gjx h VAL 484 CO -0.16 0.21 -0.21 -0.46 0.02 0.00 0.00 177.57 176.98 3gjx n ASN 485 N -4.59 0.23 0.00 0.57 0.23 0.25 -4.81 115.26 107.13 3gjx n ASN 485 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 3gjx n ASN 485 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 3gjx n ASN 485 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gjx n GLY 486 N 1.84 0.00 3.03 4.83 0.00 -0.66 -4.74 105.19 109.48 3gjx n GLY 486 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3gjx n GLY 486 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gjx n THR 487 N -0.49 -0.40 -0.71 2.61 -1.04 -0.54 -4.69 114.28 109.02 3gjx n THR 487 Ca 0.00 -0.03 0.03 0.00 -2.04 0.00 0.00 64.05 62.01 3gjx n THR 487 Cb 0.00 -0.35 0.34 0.00 -1.82 0.00 0.00 70.33 68.50 3gjx n THR 487 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gjx n GLU 488 N -1.01 4.18 -1.78 -2.82 2.13 0.83 -5.00 120.64 117.17 3gjx n GLU 488 Ca -0.03 -2.77 -0.37 0.00 0.66 0.00 0.00 57.16 54.65 3gjx n GLU 488 Cb 0.09 -2.17 0.06 0.00 0.27 0.00 0.00 31.44 29.69 3gjx n GLU 488 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3gjx s TRP 489 N -2.60 2.13 0.00 4.31 -0.11 -1.22 -4.82 118.94 116.63 3gjx s TRP 489 Ca 0.49 1.50 0.00 0.00 1.22 0.00 0.00 56.10 59.30 3gjx s TRP 489 Cb 0.38 -3.64 0.00 0.00 -1.50 0.00 0.00 33.47 28.70 3gjx s TRP 489 CO 0.14 -2.77 0.00 -1.13 -4.62 0.00 0.00 176.95 168.56 3gjx n SER 490 N -1.90 0.00 0.05 5.86 3.41 -1.26 -4.96 113.62 114.83 3gjx n SER 490 Ca 0.15 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.57 3gjx n SER 490 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 3gjx n SER 490 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3gjx h TRP 491 N 0.00 0.96 -0.99 7.33 6.55 -1.98 -1.77 115.95 126.05 3gjx h TRP 491 Ca 0.00 -0.53 0.02 0.00 0.95 0.00 0.00 58.89 59.32 3gjx h TRP 491 Cb 0.00 -0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 28.15 3gjx h TRP 491 CO 0.00 1.37 0.65 -0.22 -1.05 0.00 0.00 178.44 179.19 3gjx h LYS 492 N 0.35 1.28 0.10 0.49 3.64 -1.99 0.22 116.57 120.66 3gjx h LYS 492 Ca -0.13 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 58.91 3gjx h LYS 492 Cb 1.71 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3gjx h LYS 492 CO 0.20 0.85 -1.22 -0.91 -2.27 0.00 0.00 179.45 176.10 3gjx h ASN 493 N 1.32 0.34 0.38 4.20 2.35 -1.89 -2.45 115.58 119.84 3gjx h ASN 493 Ca 0.37 -0.37 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 3gjx h ASN 493 Cb -0.12 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3gjx h ASN 493 CO -0.09 1.29 -0.70 0.25 -1.65 0.00 0.00 177.43 176.53 3gjx h LEU 494 N 0.06 0.33 -0.03 1.61 5.85 -1.08 -1.60 115.31 120.44 3gjx h LEU 494 Ca -0.12 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3gjx h LEU 494 Cb 1.94 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 3gjx h LEU 494 CO 0.19 0.92 0.01 0.78 -0.34 0.00 0.00 178.44 180.00 3gjx h ASN 495 N 0.19 0.04 -0.68 1.25 2.35 -0.99 -2.36 115.58 115.39 3gjx h ASN 495 Ca -0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 3gjx h ASN 495 Cb 1.25 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 3gjx h ASN 495 CO 0.11 0.18 0.35 0.74 -1.65 0.00 0.00 177.43 177.17 3gjx h THR 496 N -0.10 1.22 -0.81 2.81 2.02 -1.33 -0.18 112.91 116.53 3gjx h THR 496 Ca 0.01 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3gjx h THR 496 Cb 0.15 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3gjx h THR 496 CO -0.00 0.25 0.39 0.25 0.37 0.00 0.00 175.52 176.78 3gjx h LEU 497 N 0.98 1.07 0.00 2.58 5.85 -1.21 -2.39 115.31 122.19 3gjx h LEU 497 Ca 0.24 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 3gjx h LEU 497 Cb 0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3gjx h LEU 497 CO -0.04 0.91 -0.76 0.00 -0.34 0.00 0.00 178.44 178.22 3gjx h TRP 499 N 0.00 0.37 -0.06 0.00 6.55 -1.00 -1.17 115.95 120.64 3gjx h TRP 499 Ca -0.03 -0.09 0.03 0.00 0.95 0.00 0.00 58.89 59.75 3gjx h TRP 499 Cb 1.53 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 29.72 3gjx h TRP 499 CO 0.00 0.64 -0.10 0.00 -1.05 0.00 0.00 178.44 177.92 3gjx h ALA 500 N 0.68 -0.07 -0.59 1.49 0.00 -1.40 -0.08 119.26 119.30 3gjx h ALA 500 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gjx h ALA 500 Cb 0.53 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3gjx h ALA 500 CO 0.02 -0.58 0.39 0.82 0.00 0.00 0.00 179.25 179.91 3gjx h ILE 501 N -0.15 0.94 0.00 0.00 2.04 -0.96 -0.54 117.51 118.84 3gjx h ILE 501 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3gjx h ILE 501 Cb 0.23 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3gjx h ILE 501 CO -0.15 0.09 -0.36 1.23 0.00 0.00 0.00 178.15 178.96 3gjx h GLY 502 N 0.48 0.00 2.00 5.37 0.00 -0.76 -3.33 103.07 106.83 3gjx h GLY 502 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3gjx h GLY 502 CO -0.08 0.00 -0.35 1.48 0.00 0.00 0.00 176.54 177.59 3gjx h SER 503 N 0.00 0.00 -0.67 0.19 4.64 0.67 -3.18 113.55 115.20 3gjx h SER 503 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gjx h SER 503 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3gjx h SER 503 CO 0.00 0.35 0.00 2.30 -0.87 0.00 0.00 176.83 178.61 3gjx n ILE 504 N -3.43 0.90 -1.69 0.95 -5.35 -1.20 -4.92 119.36 104.61 3gjx n ILE 504 Ca 0.00 -0.90 -0.59 0.00 -0.27 0.00 0.00 62.75 60.99 3gjx n ILE 504 Cb 0.52 0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 38.80 3gjx n ILE 504 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3gjx n SER 505 N 1.47 2.15 0.00 7.28 2.88 -1.20 -0.74 113.62 125.45 3gjx n SER 505 Ca 0.22 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 3gjx n SER 505 Cb 0.57 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 3gjx n SER 505 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gjx n GLY 506 N 4.39 0.68 0.12 0.46 0.00 -1.26 -4.92 105.19 104.66 3gjx n GLY 506 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 3gjx n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx n ALA 507 N -0.91 3.65 -2.65 4.61 0.00 0.08 -4.90 120.51 120.39 3gjx n ALA 507 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 3gjx n ALA 507 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 3gjx n ALA 507 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gjx s MET 508 N -2.80 2.34 0.47 0.00 -1.94 -1.26 -4.55 119.30 111.55 3gjx s MET 508 Ca 0.15 -1.25 -0.24 0.00 -1.71 0.00 0.00 55.69 52.64 3gjx s MET 508 Cb 0.18 -2.26 -0.07 0.00 2.01 0.00 0.00 34.83 34.68 3gjx s MET 508 CO 0.67 0.41 1.33 -1.01 -0.01 0.00 0.00 175.02 176.41 3gjx s HIS 509 N -1.97 2.57 0.38 -0.03 3.76 -1.26 -4.78 115.29 113.96 3gjx s HIS 509 Ca 0.29 1.38 0.14 0.00 -0.15 0.00 0.00 55.06 56.72 3gjx s HIS 509 Cb -0.08 -3.73 0.97 0.00 1.11 0.00 0.00 32.58 30.85 3gjx s HIS 509 CO 0.19 -2.47 1.84 1.49 -0.85 0.00 0.00 174.74 174.94 3gjx h GLU 510 N 2.10 0.51 -0.22 1.40 4.81 -1.98 0.16 114.58 121.36 3gjx h GLU 510 Ca -0.50 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 58.58 3gjx h GLU 510 Cb 1.27 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3gjx h GLU 510 CO 0.60 0.34 -0.30 1.49 -0.73 0.00 0.00 179.01 180.41 3gjx h GLU 511 N 0.53 0.59 -0.61 1.92 4.81 -2.00 -1.02 114.58 118.79 3gjx h GLU 511 Ca 0.49 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3gjx h GLU 511 Cb 1.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3gjx h GLU 511 CO -0.22 0.95 0.19 -0.44 -0.73 0.00 0.00 179.01 178.75 3gjx h ASP 512 N 0.27 0.87 -0.48 1.04 3.32 -1.66 -2.96 116.42 116.83 3gjx h ASP 512 Ca 0.02 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 56.97 3gjx h ASP 512 Cb 0.88 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3gjx h ASP 512 CO 0.07 0.82 0.23 -0.08 -1.72 0.00 0.00 179.24 178.56 3gjx h GLU 513 N 0.90 0.43 0.45 3.56 4.81 -0.44 -1.57 114.58 122.73 3gjx h GLU 513 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3gjx h GLU 513 Cb 0.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3gjx h GLU 513 CO -0.01 0.29 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.01 3gjx h LYS 514 N 0.45 -0.74 -0.70 1.92 3.64 -1.03 0.21 116.57 120.32 3gjx h LYS 514 Ca 0.21 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 3gjx h LYS 514 Cb 0.15 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3gjx h LYS 514 CO -0.17 -0.49 0.46 0.00 -2.27 0.00 0.00 179.45 176.99 3gjx h ARG 515 N -0.76 0.64 -0.03 1.90 3.08 -1.40 -0.65 114.38 117.15 3gjx h ARG 515 Ca -0.05 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3gjx h ARG 515 Cb 0.65 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3gjx h ARG 515 CO 0.01 0.43 -0.50 0.35 -1.07 0.00 0.00 179.97 179.19 3gjx h PHE 516 N 0.66 0.57 -0.04 3.04 3.57 -0.94 -2.90 116.94 120.91 3gjx h PHE 516 Ca 0.31 -0.29 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 3gjx h PHE 516 Cb 0.36 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3gjx h PHE 516 CO -0.00 1.08 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.67 3gjx h LEU 517 N -0.11 0.08 -0.92 0.59 3.38 -0.64 -0.70 115.31 117.00 3gjx h LEU 517 Ca -0.05 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3gjx h LEU 517 Cb 1.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3gjx h LEU 517 CO 0.10 0.50 -0.44 0.58 0.09 0.00 0.00 178.44 179.27 3gjx h VAL 518 N 0.07 1.32 0.04 1.22 2.07 -1.13 -2.40 116.25 117.43 3gjx h VAL 518 Ca 0.00 -1.59 -0.24 0.00 0.82 0.00 0.00 66.70 65.69 3gjx h VAL 518 Cb 0.78 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 3gjx h VAL 518 CO 0.06 0.47 -1.03 0.74 0.02 0.00 0.00 177.57 177.83 3gjx h THR 519 N 0.18 1.41 -0.22 2.57 2.02 -1.25 -2.72 112.91 114.89 3gjx h THR 519 Ca 0.01 -2.56 -0.11 0.00 0.77 0.00 0.00 66.41 64.52 3gjx h THR 519 Cb 0.85 2.55 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 3gjx h THR 519 CO 0.07 0.76 -0.29 0.58 0.37 0.00 0.00 175.52 177.01 3gjx h VAL 520 N 0.21 1.32 0.00 3.16 2.07 -0.98 -3.20 116.25 118.83 3gjx h VAL 520 Ca -0.10 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 65.78 3gjx h VAL 520 Cb 1.69 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 3gjx h VAL 520 CO 0.18 0.46 -1.49 2.30 0.02 0.00 0.00 177.57 179.03 3gjx n ILE 521 N -4.33 1.10 -0.13 4.57 -5.35 -0.92 -2.14 119.36 112.16 3gjx n ILE 521 Ca -0.05 -0.68 0.02 0.00 -0.27 0.00 0.00 62.75 61.76 3gjx n ILE 521 Cb 0.46 -0.65 0.31 0.00 -1.74 0.00 0.00 39.64 38.02 3gjx n ILE 521 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3gjx h LYS 522 N 0.00 0.81 0.00 6.28 3.64 -1.60 0.28 116.57 125.98 3gjx h LYS 522 Ca -0.17 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 3gjx h LYS 522 Cb 1.56 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3gjx h LYS 522 CO 0.04 0.56 -1.26 -0.25 -2.27 0.00 0.00 179.45 176.27 3gjx n ASP 523 N -4.43 0.76 -0.11 4.20 9.92 -1.21 -2.13 116.55 123.56 3gjx n ASP 523 Ca 0.06 0.31 -0.12 0.00 -0.53 0.00 0.00 54.79 54.51 3gjx n ASP 523 Cb 0.06 0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 3gjx n ASP 523 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3gjx h LEU 524 N 0.00 0.74 -0.63 0.64 3.38 -1.24 0.48 115.31 118.68 3gjx h LEU 524 Ca -0.07 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.53 3gjx h LEU 524 Cb 1.22 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3gjx h LEU 524 CO 0.02 1.01 0.35 -0.07 0.09 0.00 0.00 178.44 179.84 3gjx h LEU 525 N 0.47 0.52 -0.59 1.67 4.07 -1.02 0.18 115.31 120.61 3gjx h LEU 525 Ca 0.06 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 3gjx h LEU 525 Cb 0.76 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3gjx h LEU 525 CO 0.06 0.34 -0.17 1.23 -1.08 0.00 0.00 178.44 178.82 3gjx h GLY 526 N 0.65 1.03 1.35 0.83 0.00 -1.29 -2.41 103.07 103.23 3gjx h GLY 526 Ca 0.28 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3gjx h GLY 526 CO -0.17 0.79 0.10 -2.00 0.00 0.00 0.00 176.54 175.26 3gjx h LEU 527 N 0.83 0.76 -0.19 3.11 5.85 -0.37 -2.70 115.31 122.61 3gjx h LEU 527 Ca 0.12 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3gjx h LEU 527 Cb 0.72 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gjx h LEU 527 CO 0.06 0.77 0.09 0.00 -0.34 0.00 0.00 178.44 179.02 3gjx h GLU 529 N 0.18 0.00 0.13 0.00 4.39 -1.46 -3.26 114.58 114.55 3gjx h GLU 529 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3gjx h GLU 529 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3gjx h GLU 529 CO -0.01 0.09 -0.06 0.37 -1.16 0.00 0.00 179.01 178.24 3gjx h GLN 530 N 0.00 -0.16 -6.79 2.33 4.15 -0.82 -3.45 115.11 110.37 3gjx h GLN 530 Ca -0.00 0.01 -0.52 0.00 0.77 0.00 0.00 58.65 58.91 3gjx h GLN 530 Cb 0.17 0.04 0.06 0.00 0.21 0.00 0.00 27.48 27.96 3gjx h GLN 530 CO 0.01 0.30 0.71 0.15 -1.93 0.00 0.00 178.83 178.07 3gjx s LYS 531 N -3.19 4.31 0.31 1.69 -0.14 -0.26 -5.02 119.74 117.44 3gjx s LYS 531 Ca -0.13 2.25 0.02 0.00 -1.36 0.00 0.00 55.97 56.75 3gjx s LYS 531 Cb 0.00 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 3gjx s LYS 531 CO 0.47 -0.32 0.48 1.03 -0.76 0.00 0.00 175.35 176.25 3gjx s ARG 532 N -0.85 3.45 0.00 1.68 0.52 -1.26 -4.72 118.95 117.77 3gjx s ARG 532 Ca 0.55 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 3gjx s ARG 532 Cb -0.41 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3gjx s ARG 532 CO 0.46 0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.43 3gjx n GLY 533 N -1.66 -1.69 0.43 -3.53 0.00 -1.26 -4.44 105.19 93.04 3gjx n GLY 533 Ca -0.06 -0.95 0.27 0.00 0.00 0.00 0.00 46.02 45.28 3gjx n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gjx h LYS 534 N 0.00 0.29 -0.31 1.61 1.57 -1.97 0.91 116.57 118.67 3gjx h LYS 534 Ca 0.00 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3gjx h LYS 534 Cb 0.00 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 3gjx h LYS 534 CO 0.00 0.19 -0.25 -0.44 -0.57 0.00 0.00 179.45 178.38 3gjx h ASP 535 N 0.29 -0.82 -0.19 0.86 5.19 -1.99 0.45 116.42 120.22 3gjx h ASP 535 Ca 0.64 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 57.18 3gjx h ASP 535 Cb 1.79 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 41.68 3gjx h ASP 535 CO -0.29 -0.28 0.05 0.78 -3.12 0.00 0.00 179.24 176.38 3gjx h ASN 536 N -0.23 0.29 0.19 6.45 2.35 -1.07 -2.61 115.58 120.95 3gjx h ASN 536 Ca 0.16 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3gjx h ASN 536 Cb 0.47 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3gjx h ASN 536 CO -0.44 0.45 -0.25 0.11 -1.65 0.00 0.00 177.43 175.65 3gjx h LYS 537 N 0.12 0.11 -0.18 0.81 1.57 -1.00 -0.67 116.57 117.34 3gjx h LYS 537 Ca 0.06 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3gjx h LYS 537 Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3gjx h LYS 537 CO 0.00 0.36 -0.21 0.00 -0.57 0.00 0.00 179.45 179.03 3gjx h ALA 538 N 1.64 0.26 0.61 3.86 0.00 -0.07 0.20 119.26 125.77 3gjx h ALA 538 Ca 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3gjx h ALA 538 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gjx h ALA 538 CO 0.04 0.21 -0.32 0.82 0.00 0.00 0.00 179.25 180.00 3gjx h ILE 539 N 0.10 0.35 -0.36 0.00 1.08 -1.22 -0.90 117.51 116.56 3gjx h ILE 539 Ca 0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3gjx h ILE 539 Cb 0.77 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 3gjx h ILE 539 CO 0.05 0.00 0.04 0.40 -0.69 0.00 0.00 178.15 177.95 3gjx h ILE 540 N -0.85 0.78 -0.80 -0.67 2.04 -1.13 -2.29 117.51 114.59 3gjx h ILE 540 Ca -0.08 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3gjx h ILE 540 Cb 0.67 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3gjx h ILE 540 CO 0.12 0.03 0.50 0.00 0.00 0.00 0.00 178.15 178.80 3gjx h ALA 541 N 1.29 1.08 -0.75 1.87 0.00 -0.53 -2.38 119.26 119.84 3gjx h ALA 541 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gjx h ALA 541 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3gjx h ALA 541 CO -0.25 0.26 0.28 0.77 0.00 0.00 0.00 179.25 180.31 3gjx h SER 542 N 0.94 1.05 -0.04 0.00 0.02 -0.63 -2.21 113.55 112.68 3gjx h SER 542 Ca 0.34 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3gjx h SER 542 Cb 0.11 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3gjx h SER 542 CO -0.15 0.94 0.01 0.78 -1.14 0.00 0.00 176.83 177.27 3gjx h ASN 543 N 1.10 0.06 -0.73 3.07 2.35 -1.00 0.42 115.58 120.85 3gjx h ASN 543 Ca 0.25 -0.24 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3gjx h ASN 543 Cb 0.24 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.50 3gjx h ASN 543 CO -0.02 0.29 0.25 0.40 -1.65 0.00 0.00 177.43 176.70 3gjx h ILE 544 N -0.17 0.61 -0.48 2.81 2.04 -1.43 0.11 117.51 120.99 3gjx h ILE 544 Ca 0.01 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gjx h ILE 544 Cb 0.25 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3gjx h ILE 544 CO 0.00 0.07 0.16 0.24 0.00 0.00 0.00 178.15 178.62 3gjx h MET 545 N 0.37 0.75 -0.19 2.37 2.86 -0.75 -0.72 114.93 119.62 3gjx h MET 545 Ca 0.41 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 3gjx h MET 545 Cb 0.64 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3gjx h MET 545 CO -0.44 0.70 0.11 -0.92 1.06 0.00 0.00 176.91 177.42 3gjx h TYR 546 N 0.65 0.21 0.50 -0.22 3.20 0.68 -1.69 116.97 120.30 3gjx h TYR 546 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3gjx h TYR 546 Cb 0.26 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3gjx h TYR 546 CO 0.01 0.13 -0.45 0.82 -1.64 0.00 0.00 178.16 177.03 3gjx h ILE 547 N 0.23 0.10 -0.84 1.81 2.04 -0.61 -2.11 117.51 118.13 3gjx h ILE 547 Ca 0.07 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.13 3gjx h ILE 547 Cb -0.01 0.10 -0.12 0.00 -0.74 0.00 0.00 36.82 36.05 3gjx h ILE 547 CO -0.03 0.00 0.29 0.58 0.00 0.00 0.00 178.15 178.98 3gjx h VAL 548 N -0.95 0.46 -0.06 1.67 2.07 -1.10 0.13 116.25 118.47 3gjx h VAL 548 Ca -0.06 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3gjx h VAL 548 Cb 0.82 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3gjx h VAL 548 CO -0.04 0.06 0.05 1.23 0.02 0.00 0.00 177.57 178.89 3gjx h GLY 549 N 0.32 0.00 1.24 2.17 0.00 -0.66 -1.50 103.07 104.64 3gjx h GLY 549 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3gjx h GLY 549 CO -0.55 0.00 -0.28 -1.06 0.00 0.00 0.00 176.54 174.65 3gjx n GLN 550 N -4.27 0.15 -2.96 4.80 1.13 0.45 -4.32 117.38 112.36 3gjx n GLN 550 Ca -0.01 -0.06 -0.27 0.00 -1.94 0.00 0.00 57.00 54.71 3gjx n GLN 550 Cb 0.15 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 3gjx n GLN 550 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gjx n TYR 551 N -1.37 4.03 -0.32 1.08 4.01 -0.56 -4.83 117.16 119.20 3gjx n TYR 551 Ca 0.08 -4.00 0.01 0.00 -0.16 0.00 0.00 57.90 53.83 3gjx n TYR 551 Cb 0.33 -0.49 0.19 0.00 -0.31 0.00 0.00 39.34 39.06 3gjx n TYR 551 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gjx h PRO 552 N 3.01 1.11 -0.52 -0.72 0.11 -1.75 -2.54 132.00 130.70 3gjx h PRO 552 Ca 0.13 -0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.25 3gjx h PRO 552 Cb 0.51 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.30 3gjx h PRO 552 CO 0.82 0.74 0.17 -0.09 -0.21 0.00 0.00 178.00 179.43 3gjx h ARG 553 N 1.15 0.33 -0.05 1.05 2.43 -1.94 0.94 114.38 118.29 3gjx h ARG 553 Ca 0.37 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 3gjx h ARG 553 Cb 0.04 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 3gjx h ARG 553 CO -0.12 0.22 -0.46 0.35 -1.51 0.00 0.00 179.97 178.45 3gjx h PHE 554 N 0.34 -1.32 -0.46 2.20 3.57 -1.90 -2.36 116.94 117.02 3gjx h PHE 554 Ca 0.25 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3gjx h PHE 554 Cb 0.29 0.59 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3gjx h PHE 554 CO -0.18 -0.52 0.17 -0.07 -2.23 0.00 0.00 178.31 175.49 3gjx h LEU 555 N -0.58 0.18 -1.51 0.59 3.38 -0.69 -2.38 115.31 114.32 3gjx h LEU 555 Ca 0.05 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3gjx h LEU 555 Cb 0.67 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3gjx h LEU 555 CO -0.36 0.14 0.46 0.03 0.09 0.00 0.00 178.44 178.79 3gjx h ARG 556 N 0.35 0.54 0.00 1.13 3.08 0.10 -1.10 114.38 118.47 3gjx h ARG 556 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3gjx h ARG 556 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gjx h ARG 556 CO -0.21 0.36 -0.35 0.00 -1.07 0.00 0.00 179.97 178.69 3gjx n ALA 557 N -2.49 2.88 -3.57 0.04 0.00 -0.90 -4.55 120.51 111.92 3gjx n ALA 557 Ca 0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 3gjx n ALA 557 Cb 0.35 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 3gjx n ALA 557 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gjx n HIS 558 N -1.81 1.84 -0.17 0.00 8.25 -0.42 -5.00 115.22 117.91 3gjx n HIS 558 Ca 0.05 -3.93 -0.03 0.00 -0.26 0.00 0.00 57.72 53.55 3gjx n HIS 558 Cb 0.38 -0.36 0.04 0.00 1.12 0.00 0.00 29.99 31.17 3gjx n HIS 558 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3gjx h TRP 559 N 4.98 -0.34 -0.73 4.41 2.91 -1.80 -0.12 115.95 125.26 3gjx h TRP 559 Ca 0.18 0.05 0.13 0.00 1.13 0.00 0.00 58.89 60.38 3gjx h TRP 559 Cb 0.79 0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 29.62 3gjx h TRP 559 CO 0.55 -0.25 0.49 -0.22 -1.03 0.00 0.00 178.44 177.98 3gjx h LYS 560 N -0.03 0.45 0.06 2.65 3.64 -1.92 0.27 116.57 121.69 3gjx h LYS 560 Ca 0.25 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.41 3gjx h LYS 560 Cb 0.41 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3gjx h LYS 560 CO -0.55 0.30 -0.78 0.35 -2.27 0.00 0.00 179.45 176.50 3gjx h PHE 561 N 0.46 0.68 0.09 1.91 3.04 -1.43 -2.94 116.94 118.74 3gjx h PHE 561 Ca 0.35 -0.41 0.01 0.00 3.98 0.00 0.00 57.97 61.90 3gjx h PHE 561 Cb 0.73 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.13 3gjx h PHE 561 CO -0.00 1.26 -0.49 1.25 -2.02 0.00 0.00 178.31 178.31 3gjx h LEU 562 N -0.10 -1.48 -1.00 0.59 5.85 -0.23 -1.02 115.31 117.91 3gjx h LEU 562 Ca -0.11 0.16 0.23 0.00 0.84 0.00 0.00 57.88 58.99 3gjx h LEU 562 Cb 1.52 0.55 -0.12 0.00 0.37 0.00 0.00 40.66 42.98 3gjx h LEU 562 CO 0.15 -0.51 0.60 0.50 -0.34 0.00 0.00 178.44 178.84 3gjx h LYS 563 N -0.68 0.61 -0.38 1.25 3.64 -0.61 -0.88 116.57 119.51 3gjx h LYS 563 Ca -0.00 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 3gjx h LYS 563 Cb 0.69 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3gjx h LYS 563 CO -0.28 0.40 -0.32 1.15 -2.27 0.00 0.00 179.45 178.13 3gjx h THR 564 N 0.63 1.28 -0.59 1.00 2.02 -1.23 -0.95 112.91 115.06 3gjx h THR 564 Ca 0.63 -1.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 3gjx h THR 564 Cb 1.14 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3gjx h THR 564 CO -0.45 0.49 -0.04 0.58 0.37 0.00 0.00 175.52 176.47 3gjx h VAL 565 N 0.72 1.27 0.07 3.16 2.07 0.08 -1.27 116.25 122.33 3gjx h VAL 565 Ca 0.08 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3gjx h VAL 565 Cb 0.88 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3gjx h VAL 565 CO 0.08 0.43 -0.03 0.58 0.02 0.00 0.00 177.57 178.65 3gjx h VAL 566 N 0.96 1.20 -0.96 2.57 2.07 -1.06 0.22 116.25 121.26 3gjx h VAL 566 Ca 0.16 -1.02 0.17 0.00 0.82 0.00 0.00 66.70 66.83 3gjx h VAL 566 Cb 0.61 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 3gjx h VAL 566 CO 0.04 0.25 0.60 0.78 0.02 0.00 0.00 177.57 179.26 3gjx h ASN 567 N -0.56 0.69 0.44 0.57 2.35 -1.25 0.90 115.58 118.73 3gjx h ASN 567 Ca -0.01 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3gjx h ASN 567 Cb 0.48 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3gjx h ASN 567 CO 0.02 0.30 -0.61 0.50 -1.65 0.00 0.00 177.43 175.98 3gjx h LYS 568 N 0.70 0.16 -0.45 0.81 1.63 -0.84 -1.75 116.57 116.84 3gjx h LYS 568 Ca 0.51 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 60.09 3gjx h LYS 568 Cb 0.86 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 3gjx h LYS 568 CO -0.27 0.72 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.25 3gjx h LEU 569 N 0.12 0.82 -0.81 5.20 3.38 0.11 -2.44 115.31 121.69 3gjx h LEU 569 Ca -0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3gjx h LEU 569 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3gjx h LEU 569 CO 0.09 0.96 0.23 -0.26 0.09 0.00 0.00 178.44 179.55 3gjx h PHE 570 N 0.74 1.15 0.30 1.13 0.04 -0.50 -2.87 116.94 116.94 3gjx h PHE 570 Ca 0.12 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gjx h PHE 570 Cb 0.64 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3gjx h PHE 570 CO 0.03 0.91 -0.26 1.49 -0.60 0.00 0.00 178.31 179.89 3gjx h GLU 571 N 1.07 -0.56 0.00 1.51 4.81 -1.06 -2.48 114.58 117.88 3gjx h GLU 571 Ca 0.23 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3gjx h GLU 571 Cb 0.30 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3gjx h GLU 571 CO -0.01 -0.37 0.00 1.19 -0.73 0.00 0.00 179.01 179.09 3gjx n PHE 572 N -5.38 0.00 1.12 0.92 3.72 -0.94 -1.17 117.46 115.73 3gjx n PHE 572 Ca -0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.44 3gjx n PHE 572 Cb 0.29 -0.32 0.64 0.00 -0.94 0.00 0.00 39.48 39.14 3gjx n PHE 572 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3gjx n MET 573 N -1.32 0.20 0.00 -1.08 2.81 -0.93 -1.89 117.12 114.91 3gjx n MET 573 Ca 0.02 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.02 3gjx n MET 573 Cb 0.03 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.07 3gjx n MET 573 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3gjx n HIS 574 N -1.39 0.00 -2.09 2.03 8.25 -0.31 -4.33 115.22 117.38 3gjx n HIS 574 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3gjx n HIS 574 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3gjx n HIS 574 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3gjx s GLU 575 N -1.59 4.28 0.22 -0.41 2.56 -0.79 -4.93 118.70 118.04 3gjx s GLU 575 Ca 0.15 2.17 0.23 0.00 0.00 0.00 0.00 54.97 57.52 3gjx s GLU 575 Cb 0.13 -3.22 0.06 0.00 2.00 0.00 0.00 34.13 33.10 3gjx s GLU 575 CO 0.30 -0.50 1.12 1.79 -0.56 0.00 0.00 175.26 177.41 3gjx h THR 576 N 4.17 0.00 -2.69 -1.70 1.35 -1.94 -3.40 112.91 108.71 3gjx h THR 576 Ca -0.42 -0.94 -0.52 0.00 -0.55 0.00 0.00 66.41 63.97 3gjx h THR 576 Cb 1.21 1.49 0.05 0.00 -1.73 0.00 0.00 68.15 69.17 3gjx h THR 576 CO 0.88 0.00 0.99 -2.28 -0.25 0.00 0.00 175.52 174.86 3gjx s HIS 577 N -3.33 2.87 -0.17 4.73 5.04 -1.26 -4.81 115.29 118.36 3gjx s HIS 577 Ca 0.01 0.38 -0.41 0.00 -1.54 0.00 0.00 55.06 53.49 3gjx s HIS 577 Cb 0.10 -4.09 -0.18 0.00 0.04 0.00 0.00 32.58 28.44 3gjx s HIS 577 CO 0.77 -4.15 1.40 -0.40 -2.34 0.00 0.00 174.74 170.03 3gjx n ASP 578 N 4.15 1.17 0.00 9.88 3.85 -1.26 -2.18 116.55 132.16 3gjx n ASP 578 Ca 0.16 1.14 0.00 0.00 -0.71 0.00 0.00 54.79 55.38 3gjx n ASP 578 Cb 0.36 -1.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.12 3gjx n ASP 578 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gjx n GLY 579 N 2.92 2.74 0.24 6.12 0.00 -1.26 -4.89 105.19 111.05 3gjx n GLY 579 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3gjx n GLY 579 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gjx h VAL 580 N 0.00 0.72 -0.86 1.61 2.07 -1.78 -0.58 116.25 117.43 3gjx h VAL 580 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3gjx h VAL 580 Cb 0.00 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3gjx h VAL 580 CO 0.00 0.07 0.56 1.56 0.02 0.00 0.00 177.57 179.77 3gjx h GLN 581 N 0.36 1.15 -0.67 1.57 4.20 -1.77 0.42 115.11 120.38 3gjx h GLN 581 Ca 0.32 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 3gjx h GLN 581 Cb 0.43 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3gjx h GLN 581 CO -0.34 0.78 0.24 -0.44 -0.67 0.00 0.00 178.83 178.39 3gjx h ASP 582 N 1.18 0.94 0.14 1.46 3.32 -1.74 -1.61 116.42 120.11 3gjx h ASP 582 Ca 0.31 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3gjx h ASP 582 Cb -0.11 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.20 3gjx h ASP 582 CO -0.06 0.88 -0.07 -0.03 -1.72 0.00 0.00 179.24 178.23 3gjx h MET 583 N 0.95 -0.18 -0.68 3.56 1.85 -0.09 -1.32 114.93 119.03 3gjx h MET 583 Ca 0.22 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.39 3gjx h MET 583 Cb 0.25 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.26 3gjx h MET 583 CO -0.01 -0.11 0.36 0.00 -0.40 0.00 0.00 176.91 176.75 3gjx h ALA 584 N 0.65 0.91 -0.26 0.39 0.00 0.00 -1.07 119.26 119.88 3gjx h ALA 584 Ca -0.02 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3gjx h ALA 584 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gjx h ALA 584 CO 0.03 0.01 -0.24 0.00 0.00 0.00 0.00 179.25 179.05 3gjx h ASP 586 N 0.35 0.46 -0.86 0.00 3.32 -0.84 -1.59 116.42 117.25 3gjx h ASP 586 Ca 0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3gjx h ASP 586 Cb 0.80 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3gjx h ASP 586 CO 0.06 0.33 0.42 0.74 -1.72 0.00 0.00 179.24 179.07 3gjx h THR 587 N 0.54 1.26 -0.37 0.35 2.02 -1.26 -2.75 112.91 112.70 3gjx h THR 587 Ca 0.15 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3gjx h THR 587 Cb -0.06 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 3gjx h THR 587 CO -0.04 0.31 0.24 0.15 0.37 0.00 0.00 175.52 176.55 3gjx h PHE 588 N 1.22 0.47 0.17 3.16 3.57 -0.55 -1.55 116.94 123.43 3gjx h PHE 588 Ca 0.30 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.50 3gjx h PHE 588 Cb 0.11 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.70 3gjx h PHE 588 CO 0.01 0.30 -1.44 0.97 -2.23 0.00 0.00 178.31 175.93 3gjx h ILE 589 N 0.51 1.30 -0.06 1.41 2.10 -1.06 -1.08 117.51 120.62 3gjx h ILE 589 Ca 0.14 -2.84 0.04 0.00 1.08 0.00 0.00 64.86 63.28 3gjx h ILE 589 Cb -0.04 2.92 -0.06 0.00 -1.09 0.00 0.00 36.82 38.55 3gjx h ILE 589 CO -0.03 0.85 -0.31 0.11 -1.08 0.00 0.00 178.15 177.69 3gjx h LYS 590 N 0.10 -0.41 -0.43 2.19 1.57 -1.23 -1.46 116.57 116.89 3gjx h LYS 590 Ca -0.22 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3gjx h LYS 590 Cb 2.06 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 34.43 3gjx h LYS 590 CO 0.21 -0.27 0.25 0.82 -0.57 0.00 0.00 179.45 179.89 3gjx h ILE 591 N -0.43 1.03 -0.82 1.86 2.04 -1.29 -1.21 117.51 118.69 3gjx h ILE 591 Ca 0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3gjx h ILE 591 Cb 0.54 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3gjx h ILE 591 CO -0.30 0.09 0.39 0.00 0.00 0.00 0.00 178.15 178.32 3gjx h ALA 592 N 1.20 1.06 -0.41 1.87 0.00 -1.03 0.15 119.26 122.11 3gjx h ALA 592 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gjx h ALA 592 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gjx h ALA 592 CO -0.09 0.64 0.00 1.04 0.00 0.00 0.00 179.25 180.83 3gjx n GLN 593 N -4.32 0.00 0.05 0.00 6.02 -0.57 -1.58 117.38 116.99 3gjx n GLN 593 Ca 0.08 0.43 0.21 0.00 -0.01 0.00 0.00 57.00 57.71 3gjx n GLN 593 Cb 0.15 -1.42 0.74 0.00 1.02 0.00 0.00 30.24 30.73 3gjx n GLN 593 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3gjx h LYS 594 N 0.00 0.00 0.00 -1.09 1.79 -1.24 -2.74 116.57 113.29 3gjx h LYS 594 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gjx h LYS 594 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3gjx h LYS 594 CO 0.00 0.00 -0.16 0.00 -1.08 0.00 0.00 179.45 178.21 3gjx h ARG 596 N 0.26 0.09 -0.17 0.00 0.11 -0.97 -1.51 114.38 112.19 3gjx h ARG 596 Ca -0.00 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 3gjx h ARG 596 Cb 1.03 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 3gjx h ARG 596 CO 0.00 0.06 -0.47 -0.09 0.10 0.00 0.00 179.97 179.57 3gjx h ARG 597 N 0.09 0.44 0.00 0.08 9.65 -1.88 -2.97 114.38 119.80 3gjx h ARG 597 Ca 0.75 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 59.38 3gjx h ARG 597 Cb 1.83 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 3gjx h ARG 597 CO -0.75 0.82 0.00 0.72 2.80 0.00 0.00 179.97 183.56 3gjx n HIS 598 N -3.99 0.00 0.31 2.20 8.25 -0.57 -1.71 115.22 119.72 3gjx n HIS 598 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 3gjx n HIS 598 Cb 0.54 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 3gjx n HIS 598 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gjx n PHE 599 N -1.23 0.00 -0.05 4.41 3.72 -1.12 -4.51 117.46 118.69 3gjx n PHE 599 Ca 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3gjx n PHE 599 Cb 0.05 -0.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.30 3gjx n PHE 599 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3gjx n VAL 600 N -1.69 0.62 -3.79 -4.37 0.31 -0.69 -0.99 118.33 107.73 3gjx n VAL 600 Ca -0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 3gjx n VAL 600 Cb 0.30 -0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3gjx n VAL 600 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gjx s GLN 601 N -2.58 3.65 0.06 5.55 -0.21 -0.74 -4.77 119.66 120.63 3gjx s GLN 601 Ca -0.06 -0.05 -0.30 0.00 0.02 0.00 0.00 55.36 54.96 3gjx s GLN 601 Cb 0.06 -3.24 -0.09 0.00 1.00 0.00 0.00 33.01 30.74 3gjx s GLN 601 CO 0.59 0.67 1.93 0.08 -2.12 0.00 0.00 175.29 176.44 3gjx s VAL 602 N -0.77 2.89 0.55 1.09 1.01 -1.26 -4.70 120.40 119.21 3gjx s VAL 602 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 3gjx s VAL 602 Cb -0.13 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.26 3gjx s VAL 602 CO 0.04 -0.00 0.79 -1.10 0.00 0.00 0.00 175.10 174.83 3gjx s GLN 603 N 3.99 2.66 0.03 2.72 -1.52 -1.26 -5.01 119.66 121.26 3gjx s GLN 603 Ca 0.86 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 53.38 3gjx s GLN 603 Cb -0.44 -2.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 3gjx s GLN 603 CO 0.40 -0.67 1.25 0.08 -0.25 0.00 0.00 175.29 176.11 3gjx s VAL 604 N -2.79 3.97 0.00 1.09 1.01 -1.26 -2.06 120.40 120.36 3gjx s VAL 604 Ca 0.55 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.91 3gjx s VAL 604 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3gjx s VAL 604 CO 0.39 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3gjx n GLY 605 N 3.36 0.84 3.22 4.51 0.00 -1.26 -4.94 105.19 110.91 3gjx n GLY 605 Ca 0.10 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3gjx n GLY 605 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gjx s GLU 606 N -0.67 0.95 -0.06 1.61 2.56 -0.88 -5.05 118.70 117.16 3gjx s GLU 606 Ca 0.00 -1.11 0.13 0.00 0.00 0.00 0.00 54.97 53.99 3gjx s GLU 606 Cb 0.00 -0.92 -0.20 0.00 2.00 0.00 0.00 34.13 35.02 3gjx s GLU 606 CO 0.00 0.19 0.21 1.33 -0.56 0.00 0.00 175.26 176.43 3gjx n VAL 607 N 0.90 0.32 -4.12 3.70 0.24 -1.26 -4.69 118.33 113.42 3gjx n VAL 607 Ca -0.18 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 3gjx n VAL 607 Cb 0.55 -0.12 -0.13 0.00 -1.47 0.00 0.00 33.84 32.67 3gjx n VAL 607 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gjx s MET 608 N -2.73 0.47 0.17 7.34 -1.94 -1.26 -5.01 119.30 116.34 3gjx s MET 608 Ca -0.06 -0.44 -0.33 0.00 -1.71 0.00 0.00 55.69 53.15 3gjx s MET 608 Cb 0.07 -0.36 -0.14 0.00 2.01 0.00 0.00 34.83 36.42 3gjx s MET 608 CO 0.56 0.08 1.53 -2.30 -0.01 0.00 0.00 175.02 174.88 3gjx n PRO 609 N 2.30 2.07 -0.00 2.03 -0.02 -1.26 -4.80 135.00 135.32 3gjx n PRO 609 Ca -0.17 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.22 3gjx n PRO 609 Cb 0.57 -2.48 0.62 0.00 -0.02 0.00 0.00 33.50 32.18 3gjx n PRO 609 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3gjx h PHE 610 N 5.48 0.15 -0.74 6.00 3.57 -1.81 -1.57 116.94 128.03 3gjx h PHE 610 Ca -0.45 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.21 3gjx h PHE 610 Cb 1.26 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.85 3gjx h PHE 610 CO 0.61 0.07 0.22 0.97 -2.23 0.00 0.00 178.31 177.95 3gjx h ILE 611 N 0.14 0.57 -0.43 1.41 6.09 -1.39 -1.66 117.51 122.23 3gjx h ILE 611 Ca 0.24 -0.11 0.09 0.00 -1.37 0.00 0.00 64.86 63.70 3gjx h ILE 611 Cb 0.76 0.21 -0.08 0.00 0.47 0.00 0.00 36.82 38.17 3gjx h ILE 611 CO -0.03 0.06 -0.12 0.44 -3.07 0.00 0.00 178.15 175.43 3gjx h ASP 612 N 0.33 -0.44 -0.68 2.19 5.19 -1.55 0.02 116.42 121.48 3gjx h ASP 612 Ca 0.41 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.96 3gjx h ASP 612 Cb 0.68 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 3gjx h ASP 612 CO -0.47 -0.15 0.45 -0.33 -3.12 0.00 0.00 179.24 175.62 3gjx h GLU 613 N -0.02 0.89 -0.25 3.56 5.08 -1.43 -1.94 114.58 120.48 3gjx h GLU 613 Ca 0.21 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3gjx h GLU 613 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3gjx h GLU 613 CO -0.45 0.59 -0.02 0.82 -1.00 0.00 0.00 179.01 178.95 3gjx h ILE 614 N 0.92 1.27 0.00 3.13 2.04 -0.74 -3.15 117.51 120.97 3gjx h ILE 614 Ca 0.25 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3gjx h ILE 614 Cb -0.10 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3gjx h ILE 614 CO -0.05 0.30 -0.26 -0.07 0.00 0.00 0.00 178.15 178.07 3gjx h LEU 615 N 0.21 0.00 -0.02 1.44 3.38 -0.63 -2.24 115.31 117.46 3gjx h LEU 615 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gjx h LEU 615 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gjx h LEU 615 CO 0.02 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.39 3gjx n ASN 616 N -3.98 0.02 -0.44 -0.43 3.02 -0.77 -3.70 115.26 108.99 3gjx n ASN 616 Ca -0.02 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 3gjx n ASN 616 Cb 0.33 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 3gjx n ASN 616 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gjx n ASN 617 N -0.85 0.00 -0.25 6.41 3.02 -0.88 -4.90 115.26 117.81 3gjx n ASN 617 Ca 0.17 -1.73 0.05 0.00 -0.03 0.00 0.00 54.58 53.05 3gjx n ASN 617 Cb 0.08 -0.15 0.18 0.00 -0.61 0.00 0.00 39.78 39.29 3gjx n ASN 617 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3gjx h ILE 618 N 6.23 0.58 0.17 2.41 2.04 -1.54 -1.67 117.51 125.73 3gjx h ILE 618 Ca 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3gjx h ILE 618 Cb 1.29 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3gjx h ILE 618 CO 0.00 0.06 -0.08 -1.13 0.00 0.00 0.00 178.15 177.00 3gjx h ASN 619 N 0.34 -0.19 -0.60 1.72 -0.73 -1.90 -1.03 115.58 113.19 3gjx h ASN 619 Ca 0.41 -0.12 0.16 0.00 1.87 0.00 0.00 56.30 58.62 3gjx h ASN 619 Cb 0.67 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 3gjx h ASN 619 CO -0.46 0.00 0.42 0.71 -0.37 0.00 0.00 177.43 177.74 3gjx h THR 620 N -0.38 0.75 0.17 -3.57 1.35 -1.81 -1.16 112.91 108.25 3gjx h THR 620 Ca -0.02 -0.04 -0.25 0.00 -0.55 0.00 0.00 66.41 65.55 3gjx h THR 620 Cb 0.30 0.62 0.02 0.00 -1.73 0.00 0.00 68.15 67.36 3gjx h THR 620 CO 0.04 0.02 -1.11 0.40 -0.25 0.00 0.00 175.52 174.62 3gjx h ILE 621 N 0.11 1.37 -0.01 6.82 2.04 -0.73 -3.35 117.51 123.76 3gjx h ILE 621 Ca 0.29 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3gjx h ILE 621 Cb 0.99 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 3gjx h ILE 621 CO -0.03 0.75 -0.37 2.30 0.00 0.00 0.00 178.15 180.79 3gjx n ILE 622 N -3.97 0.00 0.00 -0.67 -5.35 -0.44 -4.59 119.36 104.34 3gjx n ILE 622 Ca -0.17 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3gjx n ILE 622 Cb 0.92 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 3gjx n ILE 622 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gjx n ASP 624 N -3.34 1.09 -4.77 0.00 9.92 -1.26 -4.98 116.55 113.22 3gjx n ASP 624 Ca 0.00 -1.05 -0.37 0.00 -0.53 0.00 0.00 54.79 52.84 3gjx n ASP 624 Cb 0.00 0.91 -0.01 0.00 -0.64 0.00 0.00 41.12 41.38 3gjx n ASP 624 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3gjx s LEU 625 N -2.81 4.01 0.72 0.64 1.43 0.92 -5.03 118.68 118.57 3gjx s LEU 625 Ca 0.09 2.34 -0.11 0.00 -1.03 0.00 0.00 54.13 55.42 3gjx s LEU 625 Cb 0.15 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 42.17 3gjx s LEU 625 CO 0.75 -0.94 1.08 -1.10 0.23 0.00 0.00 176.35 176.36 3gjx s GLN 626 N -2.68 2.72 0.27 1.70 -0.21 -1.26 -4.80 119.66 115.40 3gjx s GLN 626 Ca 0.64 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.74 3gjx s GLN 626 Cb -0.30 -1.98 0.61 0.00 1.00 0.00 0.00 33.01 32.34 3gjx s GLN 626 CO 0.36 -1.19 1.71 -1.35 -2.12 0.00 0.00 175.29 172.70 3gjx h PRO 627 N -0.78 0.41 -0.42 2.91 0.11 -1.99 -0.87 132.00 131.37 3gjx h PRO 627 Ca -0.45 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3gjx h PRO 627 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gjx h PRO 627 CO 0.60 0.27 -0.31 1.96 -0.21 0.00 0.00 178.00 180.31 3gjx h GLN 628 N 0.42 0.95 -0.44 1.05 1.08 -2.00 -2.38 115.11 113.78 3gjx h GLN 628 Ca 0.50 -0.45 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 3gjx h GLN 628 Cb 0.88 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 3gjx h GLN 628 CO -0.48 1.12 -0.05 1.96 -0.95 0.00 0.00 178.83 180.43 3gjx h GLN 629 N 0.79 0.74 -0.99 1.46 4.20 -1.68 -2.13 115.11 117.50 3gjx h GLN 629 Ca 0.08 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.60 3gjx h GLN 629 Cb 0.89 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 3gjx h GLN 629 CO 0.08 0.79 0.66 0.28 -0.67 0.00 0.00 178.83 179.96 3gjx h VAL 630 N 0.69 1.23 0.17 -0.54 2.07 -0.98 -0.30 116.25 118.59 3gjx h VAL 630 Ca 0.13 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3gjx h VAL 630 Cb 0.49 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3gjx h VAL 630 CO 0.03 0.24 -0.08 0.45 0.02 0.00 0.00 177.57 178.22 3gjx h HIS 631 N 1.32 -0.21 -0.70 1.57 3.86 -0.88 -0.88 115.15 119.23 3gjx h HIS 631 Ca 0.37 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.73 3gjx h HIS 631 Cb -0.11 0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.32 3gjx h HIS 631 CO -0.00 0.00 0.13 1.15 0.86 0.00 0.00 177.93 180.08 3gjx h THR 632 N -0.40 0.52 -0.64 2.45 2.02 -1.33 -0.28 112.91 115.25 3gjx h THR 632 Ca -0.02 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.10 3gjx h THR 632 Cb 0.31 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3gjx h THR 632 CO 0.04 0.04 0.40 0.15 0.37 0.00 0.00 175.52 176.52 3gjx h PHE 633 N 0.24 0.74 -0.60 3.16 3.57 -0.72 -0.34 116.94 122.99 3gjx h PHE 633 Ca 0.39 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.84 3gjx h PHE 633 Cb 0.64 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3gjx h PHE 633 CO -0.28 0.43 0.09 1.88 -2.23 0.00 0.00 178.31 178.19 3gjx h TYR 634 N 0.78 1.02 -0.32 0.41 0.05 -0.17 -2.18 116.97 116.57 3gjx h TYR 634 Ca 0.25 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 3gjx h TYR 634 Cb 0.01 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 3gjx h TYR 634 CO -0.05 0.88 0.12 1.49 -1.05 0.00 0.00 178.16 179.55 3gjx h GLU 635 N 0.91 0.49 -0.27 4.88 4.81 -0.72 -2.58 114.58 122.11 3gjx h GLU 635 Ca 0.18 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3gjx h GLU 635 Cb 0.41 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 3gjx h GLU 635 CO 0.01 0.50 -0.22 0.00 -0.73 0.00 0.00 179.01 178.57 3gjx h ALA 636 N 0.97 -0.07 0.00 2.92 0.00 -0.77 -0.85 119.26 121.45 3gjx h ALA 636 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gjx h ALA 636 Cb 0.20 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gjx h ALA 636 CO -0.01 -0.64 -0.10 0.28 0.00 0.00 0.00 179.25 178.78 3gjx h VAL 637 N -0.21 0.64 -0.20 0.00 2.07 -1.32 -2.54 116.25 114.68 3gjx h VAL 637 Ca 0.15 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 3gjx h VAL 637 Cb 0.44 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3gjx h VAL 637 CO -0.39 0.10 -0.51 1.23 0.02 0.00 0.00 177.57 178.02 3gjx h GLY 638 N 0.63 0.61 1.47 2.17 0.00 -0.76 -1.71 103.07 105.49 3gjx h GLY 638 Ca -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.66 3gjx h GLY 638 CO 0.01 0.61 0.34 -0.97 0.00 0.00 0.00 176.54 176.53 3gjx h TYR 639 N 0.44 0.62 0.79 5.60 0.05 -0.98 -0.78 116.97 122.69 3gjx h TYR 639 Ca 0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 3gjx h TYR 639 Cb 1.04 -0.21 0.01 0.00 1.01 0.00 0.00 36.73 38.58 3gjx h TYR 639 CO 0.04 0.38 -0.38 0.52 -1.05 0.00 0.00 178.16 177.68 3gjx h MET 640 N 0.66 -1.02 -0.30 4.88 2.86 -1.45 -3.28 114.93 117.28 3gjx h MET 640 Ca 0.19 0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 3gjx h MET 640 Cb -0.03 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3gjx h MET 640 CO -0.04 -0.66 0.20 0.82 1.06 0.00 0.00 176.91 178.29 3gjx h ILE 641 N -1.22 0.93 0.00 -1.22 2.04 -1.05 0.21 117.51 117.20 3gjx h ILE 641 Ca -0.11 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3gjx h ILE 641 Cb 0.82 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3gjx h ILE 641 CO 0.18 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3gjx n GLY 642 N -1.55 -0.88 0.23 5.37 0.00 -0.32 -2.84 105.19 105.20 3gjx n GLY 642 Ca 0.03 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3gjx n GLY 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx n ALA 643 N -1.13 3.93 -2.77 4.61 0.00 0.06 -4.78 120.51 120.43 3gjx n ALA 643 Ca 0.15 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 3gjx n ALA 643 Cb 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 3gjx n ALA 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gjx s GLN 644 N -2.72 3.17 0.00 0.00 2.00 -1.13 -4.88 119.66 116.10 3gjx s GLN 644 Ca 0.15 -0.77 0.24 0.00 -2.00 0.00 0.00 55.36 52.98 3gjx s GLN 644 Cb 0.17 -4.11 0.28 0.00 0.80 0.00 0.00 33.01 30.16 3gjx s GLN 644 CO 0.68 -1.34 1.26 0.25 -0.50 0.00 0.00 175.29 175.64 3gjx n THR 645 N 5.77 0.00 -2.35 -0.34 -2.24 -1.26 -4.56 114.28 109.30 3gjx n THR 645 Ca -0.05 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3gjx n THR 645 Cb 0.46 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 3gjx n THR 645 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gjx s ASP 646 N -3.02 6.20 0.32 3.42 -1.08 -1.26 -4.91 116.67 116.35 3gjx s ASP 646 Ca 0.10 0.60 0.03 0.00 -0.52 0.00 0.00 52.55 52.76 3gjx s ASP 646 Cb 0.17 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.70 3gjx s ASP 646 CO 0.75 -1.59 1.93 -0.61 0.52 0.00 0.00 175.17 176.17 3gjx h GLN 647 N 11.05 0.89 0.81 4.34 4.15 -1.99 -0.57 115.11 133.80 3gjx h GLN 647 Ca -0.27 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 3gjx h GLN 647 Cb 1.10 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 28.60 3gjx h GLN 647 CO 1.13 0.59 -0.39 1.15 -1.93 0.00 0.00 178.83 179.38 3gjx h THR 648 N 0.92 0.17 -0.92 2.39 2.02 -1.97 -1.44 112.91 114.08 3gjx h THR 648 Ca 0.36 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.57 3gjx h THR 648 Cb 0.24 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 3gjx h THR 648 CO -0.13 0.00 0.57 0.58 0.37 0.00 0.00 175.52 176.91 3gjx h VAL 649 N -1.14 0.99 -0.72 3.16 2.07 -1.86 -2.17 116.25 116.59 3gjx h VAL 649 Ca -0.11 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3gjx h VAL 649 Cb 0.84 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3gjx h VAL 649 CO 0.18 0.18 0.24 -0.61 0.02 0.00 0.00 177.57 177.58 3gjx h GLN 650 N 0.99 1.09 -0.38 1.57 4.15 -1.05 -0.35 115.11 121.13 3gjx h GLN 650 Ca 0.42 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 3gjx h GLN 650 Cb 0.29 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3gjx h GLN 650 CO -0.21 0.92 -0.25 0.93 -1.93 0.00 0.00 178.83 178.28 3gjx h GLU 651 N 1.06 0.84 -0.79 1.69 5.08 -0.66 -0.19 114.58 121.60 3gjx h GLU 651 Ca 0.23 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3gjx h GLU 651 Cb 0.27 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3gjx h GLU 651 CO -0.01 1.04 0.50 1.25 -1.00 0.00 0.00 179.01 180.78 3gjx h HIS 652 N 0.65 0.92 -0.73 4.33 2.76 -1.15 -2.05 115.15 119.89 3gjx h HIS 652 Ca 0.08 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3gjx h HIS 652 Cb 0.82 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 3gjx h HIS 652 CO 0.06 0.51 0.48 -0.07 -1.30 0.00 0.00 177.93 177.61 3gjx h LEU 653 N 0.95 0.83 -0.73 0.26 4.07 -0.42 -2.85 115.31 117.42 3gjx h LEU 653 Ca 0.33 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 58.13 3gjx h LEU 653 Cb 0.06 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 3gjx h LEU 653 CO -0.13 0.60 -0.54 0.40 -1.08 0.00 0.00 178.44 177.70 3gjx h ILE 654 N 0.98 1.36 -0.22 1.22 2.04 -0.44 -1.35 117.51 121.10 3gjx h ILE 654 Ca 0.27 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 3gjx h ILE 654 Cb -0.11 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3gjx h ILE 654 CO -0.06 0.54 0.03 -0.33 0.00 0.00 0.00 178.15 178.33 3gjx h GLU 655 N 0.21 0.37 -0.60 2.37 5.08 -1.27 -2.59 114.58 118.15 3gjx h GLU 655 Ca 0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3gjx h GLU 655 Cb 1.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3gjx h GLU 655 CO 0.08 0.53 0.28 -0.22 -1.00 0.00 0.00 179.01 178.68 3gjx h LYS 656 N 0.16 0.86 -0.46 2.33 3.11 -1.38 -2.81 116.57 118.39 3gjx h LYS 656 Ca 0.07 -0.13 0.04 0.00 -2.81 0.00 0.00 60.65 57.81 3gjx h LYS 656 Cb 0.34 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 3gjx h LYS 656 CO 0.01 0.70 0.31 -0.92 -2.81 0.00 0.00 179.45 176.74 3gjx h TYR 657 N 0.82 0.47 -0.41 1.91 3.20 -1.15 -2.42 116.97 119.39 3gjx h TYR 657 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3gjx h TYR 657 Cb 0.13 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3gjx h TYR 657 CO 0.00 0.27 0.00 -1.33 -1.64 0.00 0.00 178.16 175.46 3gjx n MET 658 N -4.48 3.15 -0.09 1.82 2.81 -0.99 -4.61 117.12 114.74 3gjx n MET 658 Ca 0.05 -2.55 -0.12 0.00 -1.81 0.00 0.00 57.70 53.27 3gjx n MET 658 Cb 0.17 -1.64 -0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3gjx n MET 658 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3gjx h LEU 659 N 2.57 0.92 0.70 4.03 6.46 -1.17 0.16 115.31 128.98 3gjx h LEU 659 Ca 0.00 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 3gjx h LEU 659 Cb 1.17 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.85 3gjx h LEU 659 CO 0.14 1.22 -0.34 -0.07 -0.62 0.00 0.00 178.44 178.77 3gjx h LEU 660 N 0.69 -0.80 -0.54 2.25 4.07 -1.81 -1.88 115.31 117.28 3gjx h LEU 660 Ca 0.05 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.11 3gjx h LEU 660 Cb 1.01 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.89 3gjx h LEU 660 CO 0.10 -0.42 0.19 -0.65 -1.08 0.00 0.00 178.44 176.59 3gjx h PRO 661 N -1.25 0.36 -0.93 1.13 0.11 -1.88 -1.63 132.00 127.91 3gjx h PRO 661 Ca -0.10 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.15 3gjx h PRO 661 Cb 0.72 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.68 3gjx h PRO 661 CO 0.16 0.24 0.59 -0.91 -0.21 0.00 0.00 178.00 177.87 3gjx h ASN 662 N 0.37 0.68 0.21 -2.05 2.35 -1.00 -1.06 115.58 115.09 3gjx h ASN 662 Ca 0.27 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3gjx h ASN 662 Cb 0.31 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3gjx h ASN 662 CO -0.27 0.32 -0.10 1.56 -1.65 0.00 0.00 177.43 177.28 3gjx h GLN 663 N 0.71 -0.28 0.54 0.81 4.20 -0.43 0.52 115.11 121.18 3gjx h GLN 663 Ca 0.48 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.19 3gjx h GLN 663 Cb 0.78 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 3gjx h GLN 663 CO -0.24 -0.15 -0.31 0.28 -0.67 0.00 0.00 178.83 177.74 3gjx h VAL 664 N -0.33 0.37 -0.94 -0.54 2.07 -1.33 -1.66 116.25 113.89 3gjx h VAL 664 Ca -0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 3gjx h VAL 664 Cb 0.25 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 3gjx h VAL 664 CO 0.05 0.00 0.50 -0.25 0.02 0.00 0.00 177.57 177.89 3gjx h TRP 665 N -0.79 0.86 -0.47 1.57 2.91 -0.96 0.26 115.95 119.32 3gjx h TRP 665 Ca -0.07 0.04 -0.13 0.00 1.13 0.00 0.00 58.89 59.86 3gjx h TRP 665 Cb 0.64 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 3gjx h TRP 665 CO -0.08 0.09 -0.23 -0.44 -1.03 0.00 0.00 178.44 176.75 3gjx h ASP 666 N 0.57 1.00 -0.50 2.65 5.19 0.18 -1.03 116.42 124.47 3gjx h ASP 666 Ca 0.57 -0.39 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 3gjx h ASP 666 Cb 0.98 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 3gjx h ASP 666 CO -0.45 1.18 0.19 -1.28 -3.12 0.00 0.00 179.24 175.76 3gjx h SER 667 N 0.84 0.71 -0.63 6.45 0.87 0.38 -1.33 113.55 120.82 3gjx h SER 667 Ca 0.10 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.40 3gjx h SER 667 Cb 0.81 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3gjx h SER 667 CO 0.07 0.69 0.07 0.40 -0.53 0.00 0.00 176.83 177.54 3gjx h ILE 668 N 0.68 1.26 -0.59 2.23 2.04 -0.77 -2.64 117.51 119.72 3gjx h ILE 668 Ca 0.17 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3gjx h ILE 668 Cb 0.22 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3gjx h ILE 668 CO -0.01 0.39 0.19 0.40 0.00 0.00 0.00 178.15 179.12 3gjx h ILE 669 N 0.98 1.22 -0.37 -0.67 1.08 -0.87 -1.48 117.51 117.41 3gjx h ILE 669 Ca 0.19 -0.76 -0.04 0.00 -0.39 0.00 0.00 64.86 63.86 3gjx h ILE 669 Cb 0.47 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3gjx h ILE 669 CO 0.02 0.29 0.07 1.56 -0.69 0.00 0.00 178.15 179.40 3gjx h GLN 670 N 0.86 0.60 0.00 2.37 4.20 -1.04 -2.02 115.11 120.08 3gjx h GLN 670 Ca 0.20 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3gjx h GLN 670 Cb 0.24 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3gjx h GLN 670 CO -0.01 0.66 -0.21 1.96 -0.67 0.00 0.00 178.83 180.56 3gjx h GLN 671 N 0.45 0.00 0.00 1.46 7.50 -1.23 -2.33 115.11 120.96 3gjx h GLN 671 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 3gjx h GLN 671 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.87 3gjx h GLN 671 CO 0.01 0.21 -0.16 0.00 -1.50 0.00 0.00 178.83 177.39 3gjx h ALA 672 N 1.79 0.92 -0.32 3.87 0.00 -0.97 -2.82 119.26 121.73 3gjx h ALA 672 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3gjx h ALA 672 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3gjx h ALA 672 CO 0.03 0.00 -0.27 1.15 0.00 0.00 0.00 179.25 180.15 3gjx h THR 673 N 0.00 1.28 -0.01 0.00 2.02 -0.79 -3.14 112.91 112.26 3gjx h THR 673 Ca 0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3gjx h THR 673 Cb 0.99 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3gjx h THR 673 CO 0.00 0.45 -0.40 0.29 0.37 0.00 0.00 175.52 176.22 3gjx n LYS 674 N -4.09 0.95 -2.93 6.66 5.02 -1.20 -4.86 118.16 117.71 3gjx n LYS 674 Ca -0.00 -0.70 0.03 0.00 -2.02 0.00 0.00 58.31 55.62 3gjx n LYS 674 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3gjx n LYS 674 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3gjx s ASN 675 N -2.53 -0.36 0.00 4.39 2.47 -1.07 -5.01 114.94 112.83 3gjx s ASN 675 Ca 0.20 -0.09 0.06 0.00 0.42 0.00 0.00 52.86 53.46 3gjx s ASN 675 Cb 0.18 0.77 0.31 0.00 -1.45 0.00 0.00 41.25 41.07 3gjx s ASN 675 CO 0.57 -0.05 0.97 1.33 -3.72 0.00 0.00 177.10 176.20 3gjx n VAL 676 N 4.28 0.68 0.11 -5.21 0.24 -1.24 -2.70 118.33 114.48 3gjx n VAL 676 Ca 0.07 0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 62.53 3gjx n VAL 676 Cb 0.61 -1.07 0.23 0.00 -1.47 0.00 0.00 33.84 32.13 3gjx n VAL 676 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gjx h ASP 677 N 0.00 0.19 0.07 -1.34 5.19 -1.91 -2.94 116.42 115.67 3gjx h ASP 677 Ca 0.00 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3gjx h ASP 677 Cb 0.04 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 3gjx h ASP 677 CO 0.00 0.61 -0.04 0.16 -3.12 0.00 0.00 179.24 176.85 3gjx h ILE 678 N 0.15 0.82 0.00 0.35 -0.00 -1.83 0.32 117.51 117.31 3gjx h ILE 678 Ca 0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 3gjx h ILE 678 Cb 0.85 1.09 0.00 0.00 -0.00 0.00 0.00 36.82 38.76 3gjx h ILE 678 CO 0.07 0.04 0.00 0.18 -0.00 0.00 0.00 178.15 178.44 3gjx n LEU 679 N -4.18 0.06 0.00 0.16 4.77 -1.11 0.15 117.00 116.85 3gjx n LEU 679 Ca -0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3gjx n LEU 679 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3gjx n LEU 679 CO 0.32 0.02 -0.03 1.17 -1.33 0.00 0.00 177.39 177.53 3gjx n LYS 680 N -0.27 3.00 -2.06 3.23 4.81 0.11 -4.85 118.16 122.13 3gjx n LYS 680 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3gjx n LYS 680 Cb 0.02 -0.28 -0.03 0.00 0.02 0.00 0.00 35.03 34.76 3gjx n LYS 680 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3gjx s ASP 681 N -0.48 6.71 0.18 3.14 2.15 0.12 -4.93 116.67 123.57 3gjx s ASP 681 Ca 0.00 2.30 -0.13 0.00 0.43 0.00 0.00 52.55 55.14 3gjx s ASP 681 Cb 0.00 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.23 3gjx s ASP 681 CO 0.00 -0.83 1.73 -0.65 -0.17 0.00 0.00 175.17 175.25 3gjx h PRO 682 N 8.31 0.26 -0.55 4.34 0.11 -1.95 -1.51 132.00 140.99 3gjx h PRO 682 Ca -0.40 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3gjx h PRO 682 Cb 1.19 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3gjx h PRO 682 CO 0.92 0.17 0.16 1.49 -0.21 0.00 0.00 178.00 180.54 3gjx h GLU 683 N 0.26 0.87 -0.43 1.05 4.57 -1.94 -0.43 114.58 118.53 3gjx h GLU 683 Ca 0.23 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 3gjx h GLU 683 Cb 0.28 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3gjx h GLU 683 CO -0.28 0.80 -0.27 1.79 -1.18 0.00 0.00 179.01 179.86 3gjx h THR 684 N 0.78 1.27 -0.16 0.32 1.35 -1.75 0.10 112.91 114.82 3gjx h THR 684 Ca 0.18 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.48 3gjx h THR 684 Cb 0.30 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3gjx h THR 684 CO -0.00 0.49 -0.43 -0.37 -0.25 0.00 0.00 175.52 174.95 3gjx h VAL 685 N 0.78 1.31 -0.44 6.82 -1.51 -1.16 0.29 116.25 122.34 3gjx h VAL 685 Ca 0.09 -1.59 0.08 0.00 -1.23 0.00 0.00 66.70 64.05 3gjx h VAL 685 Cb 0.84 1.66 -0.06 0.00 -2.13 0.00 0.00 31.29 31.59 3gjx h VAL 685 CO 0.07 0.49 0.05 0.50 -1.23 0.00 0.00 177.57 177.45 3gjx h LYS 686 N 0.32 0.17 -0.21 5.19 3.11 -0.62 -1.82 116.57 122.71 3gjx h LYS 686 Ca 0.03 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3gjx h LYS 686 Cb 0.89 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 3gjx h LYS 686 CO 0.07 0.11 0.08 1.96 -2.81 0.00 0.00 179.45 178.87 3gjx h GLN 687 N 0.17 0.32 -0.83 1.90 4.20 -0.11 -2.87 115.11 117.89 3gjx h GLN 687 Ca 0.22 -0.06 0.20 0.00 0.06 0.00 0.00 58.65 59.07 3gjx h GLN 687 Cb 0.29 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 3gjx h GLN 687 CO -0.32 0.37 0.57 -0.07 -0.67 0.00 0.00 178.83 178.71 3gjx h LEU 688 N 0.19 0.28 0.02 1.46 3.38 -0.03 0.64 115.31 121.25 3gjx h LEU 688 Ca 0.07 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3gjx h LEU 688 Cb 0.18 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gjx h LEU 688 CO -0.01 0.12 -1.13 1.23 0.09 0.00 0.00 178.44 178.74 3gjx h GLY 689 N 0.28 0.61 1.67 0.83 0.00 -1.13 -2.01 103.07 103.33 3gjx h GLY 689 Ca 0.42 -1.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 3gjx h GLY 689 CO -0.11 1.06 -0.52 0.23 0.00 0.00 0.00 176.54 177.20 3gjx h SER 690 N 0.26 0.39 -0.56 0.19 0.87 -1.13 0.91 113.55 114.48 3gjx h SER 690 Ca -0.14 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 3gjx h SER 690 Cb 1.80 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 3gjx h SER 690 CO 0.21 0.84 0.10 0.40 -0.53 0.00 0.00 176.83 177.85 3gjx h ILE 691 N 0.28 1.25 0.00 2.23 2.04 -0.89 -1.90 117.51 120.52 3gjx h ILE 691 Ca 0.01 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.79 3gjx h ILE 691 Cb 1.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3gjx h ILE 691 CO 0.09 0.34 -0.67 -0.07 0.00 0.00 0.00 178.15 177.84 3gjx h LEU 692 N 0.81 0.00 -0.65 1.44 3.38 -0.99 -2.01 115.31 117.29 3gjx h LEU 692 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3gjx h LEU 692 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3gjx h LEU 692 CO 0.01 0.67 -0.04 0.11 0.09 0.00 0.00 178.44 179.27 3gjx h LYS 693 N 0.00 1.01 -0.52 1.13 1.57 -0.72 -1.63 116.57 117.41 3gjx h LYS 693 Ca -0.01 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3gjx h LYS 693 Cb 1.24 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 3gjx h LYS 693 CO 0.09 1.02 0.27 1.15 -0.57 0.00 0.00 179.45 181.41 3gjx h THR 694 N 0.92 0.97 -0.63 -0.16 2.02 -1.09 -2.68 112.91 112.27 3gjx h THR 694 Ca 0.16 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3gjx h THR 694 Cb 0.59 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3gjx h THR 694 CO 0.04 0.10 0.12 0.78 0.37 0.00 0.00 175.52 176.92 3gjx h ASN 695 N 0.53 0.98 -0.42 4.18 2.35 -0.98 -1.43 115.58 120.80 3gjx h ASN 695 Ca 0.23 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gjx h ASN 695 Cb 0.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3gjx h ASN 695 CO -0.15 0.98 0.26 0.58 -1.65 0.00 0.00 177.43 177.46 3gjx h VAL 696 N 0.94 1.07 0.19 2.81 2.07 -1.20 0.19 116.25 122.33 3gjx h VAL 696 Ca 0.19 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3gjx h VAL 696 Cb 0.41 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3gjx h VAL 696 CO 0.01 0.10 -0.14 0.03 0.02 0.00 0.00 177.57 177.59 3gjx h ARG 697 N 0.54 -0.33 -0.80 1.57 2.47 -1.32 0.21 114.38 116.73 3gjx h ARG 697 Ca 0.16 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.02 3gjx h ARG 697 Cb -0.03 0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.29 3gjx h ARG 697 CO -0.06 -0.22 0.42 0.00 0.56 0.00 0.00 179.97 180.67 3gjx h ALA 698 N 0.45 1.15 -0.19 0.04 0.00 -1.05 -1.54 119.26 118.13 3gjx h ALA 698 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3gjx h ALA 698 Cb 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gjx h ALA 698 CO -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 179.25 179.06 3gjx h LYS 700 N 0.13 0.44 0.13 0.00 3.64 -0.14 -2.29 116.57 118.48 3gjx h LYS 700 Ca 0.03 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 3gjx h LYS 700 Cb 0.69 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3gjx h LYS 700 CO 0.04 0.29 -1.27 0.00 -2.27 0.00 0.00 179.45 176.25 3gjx h ALA 701 N 1.74 0.08 0.11 5.00 0.00 -0.88 -3.39 119.26 121.92 3gjx h ALA 701 Ca 0.20 -0.97 -0.29 0.00 0.00 0.00 0.00 54.91 53.85 3gjx h ALA 701 Cb 0.22 0.36 0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gjx h ALA 701 CO -0.05 0.70 -1.21 0.28 0.00 0.00 0.00 179.25 178.97 3gjx h VAL 702 N -0.28 1.33 0.00 0.00 2.07 -0.98 -3.39 116.25 114.99 3gjx h VAL 702 Ca -0.26 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3gjx h VAL 702 Cb 1.77 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 3gjx h VAL 702 CO 0.10 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.07 3gjx n GLY 703 N 1.34 -1.62 0.32 2.17 0.00 -0.87 -4.47 105.19 102.06 3gjx n GLY 703 Ca -0.12 -1.44 0.21 0.00 0.00 0.00 0.00 46.02 44.67 3gjx n GLY 703 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gjx n HIS 704 N 0.00 0.82 0.15 1.61 -0.00 -1.24 -0.42 115.22 116.14 3gjx n HIS 704 Ca 0.00 1.15 0.08 0.00 0.46 0.00 0.00 57.72 59.42 3gjx n HIS 704 Cb 0.00 -1.35 0.45 0.00 -0.12 0.00 0.00 29.99 28.97 3gjx n HIS 704 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3gjx n PRO 705 N -5.34 0.11 0.33 1.57 -0.02 -1.26 -0.75 135.00 129.63 3gjx n PRO 705 Ca 0.28 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.57 3gjx n PRO 705 Cb 0.94 -1.99 1.11 0.00 -0.02 0.00 0.00 33.50 33.55 3gjx n PRO 705 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3gjx h PHE 706 N 0.00 0.00 -1.40 6.00 3.04 -1.03 -3.10 116.94 120.45 3gjx h PHE 706 Ca 0.00 0.00 0.43 0.00 3.98 0.00 0.00 57.97 62.38 3gjx h PHE 706 Cb 0.25 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.66 3gjx h PHE 706 CO 0.00 0.00 0.94 -0.24 -2.02 0.00 0.00 178.31 176.99 3gjx h VAL 707 N 0.00 0.17 -0.65 1.41 3.04 -1.16 0.33 116.25 119.41 3gjx h VAL 707 Ca -0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 3gjx h VAL 707 Cb 0.10 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.42 3gjx h VAL 707 CO 0.00 0.02 0.29 0.16 -1.01 0.00 0.00 177.57 177.03 3gjx h ILE 708 N 0.09 1.23 0.09 3.17 3.07 -1.81 0.06 117.51 123.40 3gjx h ILE 708 Ca 0.79 -0.67 -0.00 0.00 1.55 0.00 0.00 64.86 66.53 3gjx h ILE 708 Cb 2.65 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 3gjx h ILE 708 CO -0.28 0.27 -0.04 -0.61 -1.05 0.00 0.00 178.15 176.44 3gjx h GLN 709 N 0.90 -0.11 -0.79 0.16 5.75 -0.60 -3.13 115.11 117.28 3gjx h GLN 709 Ca 0.22 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3gjx h GLN 709 Cb 0.15 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3gjx h GLN 709 CO -0.02 0.40 0.52 1.25 -2.65 0.00 0.00 178.83 178.33 3gjx h LEU 710 N -0.74 0.92 -2.38 -2.39 5.85 -1.50 -0.69 115.31 114.37 3gjx h LEU 710 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3gjx h LEU 710 Cb 0.57 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3gjx h LEU 710 CO 0.02 0.67 0.05 1.23 -0.34 0.00 0.00 178.44 180.07 3gjx h GLY 711 N 1.08 0.00 1.41 3.75 0.00 -1.08 0.50 103.07 108.73 3gjx h GLY 711 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.33 3gjx h GLY 711 CO -0.06 0.00 -1.40 -0.09 0.00 0.00 0.00 176.54 174.98 3gjx h ARG 712 N 0.00 0.24 -0.01 4.80 2.43 -1.07 -3.36 114.38 117.41 3gjx h ARG 712 Ca 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3gjx h ARG 712 Cb 0.11 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3gjx h ARG 712 CO 0.00 1.13 -0.09 0.44 -1.51 0.00 0.00 179.97 179.94 3gjx n ILE 713 N -3.47 0.00 0.14 1.20 -5.35 -0.62 -4.82 119.36 106.44 3gjx n ILE 713 Ca -0.13 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 61.77 3gjx n ILE 713 Cb 1.03 1.24 -0.08 0.00 -1.74 0.00 0.00 39.64 40.09 3gjx n ILE 713 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3gjx h TYR 714 N 2.22 -1.15 -0.56 4.28 3.20 -0.19 0.12 116.97 124.89 3gjx h TYR 714 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3gjx h TYR 714 Cb 0.52 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3gjx h TYR 714 CO 0.00 -0.48 0.22 -0.07 -1.64 0.00 0.00 178.16 176.19 3gjx h LEU 715 N -0.65 0.78 -0.55 2.82 3.38 -1.86 -1.53 115.31 117.70 3gjx h LEU 715 Ca -0.02 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3gjx h LEU 715 Cb 0.62 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3gjx h LEU 715 CO -0.16 0.74 0.15 0.44 0.09 0.00 0.00 178.44 179.70 3gjx h ASP 716 N 0.77 0.82 -0.62 -0.43 3.45 -1.87 -0.96 116.42 117.59 3gjx h ASP 716 Ca 0.19 -0.22 0.08 0.00 0.43 0.00 0.00 57.03 57.51 3gjx h ASP 716 Cb 0.21 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 38.69 3gjx h ASP 716 CO -0.01 0.83 0.27 -0.03 -1.57 0.00 0.00 179.24 178.73 3gjx h MET 717 N 0.78 0.47 -0.43 3.56 4.05 -0.46 -0.95 114.93 121.95 3gjx h MET 717 Ca 0.17 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 3gjx h MET 717 Cb 0.32 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3gjx h MET 717 CO -0.00 0.31 -0.15 -0.07 0.23 0.00 0.00 176.91 177.23 3gjx h LEU 718 N 0.49 0.81 -0.72 3.39 3.38 -0.99 0.15 115.31 121.83 3gjx h LEU 718 Ca 0.30 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3gjx h LEU 718 Cb 0.32 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3gjx h LEU 718 CO -0.26 0.97 0.43 0.78 0.09 0.00 0.00 178.44 180.44 3gjx h ASN 719 N 0.73 0.66 -0.11 -0.43 2.35 -0.53 -1.13 115.58 117.11 3gjx h ASN 719 Ca 0.11 0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.68 3gjx h ASN 719 Cb 0.65 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3gjx h ASN 719 CO 0.05 0.44 -0.68 -0.37 -1.65 0.00 0.00 177.43 175.21 3gjx h VAL 720 N 0.80 1.29 -0.59 2.81 -1.51 -0.99 -1.51 116.25 116.55 3gjx h VAL 720 Ca 0.31 -1.91 0.12 0.00 -1.23 0.00 0.00 66.70 64.00 3gjx h VAL 720 Cb 0.13 1.87 -0.10 0.00 -2.13 0.00 0.00 31.29 31.06 3gjx h VAL 720 CO -0.16 0.60 -0.03 0.22 -1.23 0.00 0.00 177.57 176.97 3gjx h TYR 721 N 0.53 -0.10 -0.01 5.19 3.20 -0.69 0.86 116.97 125.95 3gjx h TYR 721 Ca -0.02 0.05 -0.16 0.00 3.14 0.00 0.00 58.73 61.74 3gjx h TYR 721 Cb 1.29 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 3gjx h TYR 721 CO 0.07 -0.18 -0.71 -0.22 -1.64 0.00 0.00 178.16 175.48 3gjx h LYS 722 N 0.09 0.07 -0.07 1.82 3.64 -1.08 -0.73 116.57 120.31 3gjx h LYS 722 Ca 0.30 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3gjx h LYS 722 Cb 0.49 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3gjx h LYS 722 CO -0.53 0.76 0.02 0.00 -2.27 0.00 0.00 179.45 177.42 3gjx h LEU 724 N -0.08 0.85 -1.23 0.00 4.07 -0.72 -2.01 115.31 116.20 3gjx h LEU 724 Ca 0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 3gjx h LEU 724 Cb 0.22 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3gjx h LEU 724 CO -0.00 0.72 0.08 -1.28 -1.08 0.00 0.00 178.44 176.88 3gjx h SER 725 N 0.93 0.57 -0.13 -0.43 0.87 -1.09 -1.47 113.55 112.80 3gjx h SER 725 Ca 0.24 -0.09 -0.20 0.00 -1.23 0.00 0.00 61.79 60.51 3gjx h SER 725 Cb 0.06 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3gjx h SER 725 CO -0.04 0.58 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.85 3gjx h GLU 726 N 0.59 0.75 0.25 2.24 5.08 -1.10 -2.46 114.58 119.94 3gjx h GLU 726 Ca 0.13 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3gjx h GLU 726 Cb 0.26 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3gjx h GLU 726 CO -0.00 1.16 -0.42 -0.91 -1.00 0.00 0.00 179.01 177.85 3gjx h ASN 727 N 0.54 -1.19 -0.24 1.42 -0.26 -0.87 0.67 115.58 115.65 3gjx h ASN 727 Ca -0.02 0.12 0.06 0.00 -0.56 0.00 0.00 56.30 55.90 3gjx h ASN 727 Cb 1.27 0.42 -0.07 0.00 -1.06 0.00 0.00 38.32 38.88 3gjx h ASN 727 CO 0.14 -0.52 -0.26 0.40 -1.06 0.00 0.00 177.43 176.13 3gjx h ILE 728 N -0.74 0.37 0.14 2.81 2.04 -1.29 -0.28 117.51 120.56 3gjx h ILE 728 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gjx h ILE 728 Cb 0.71 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3gjx h ILE 728 CO -0.16 0.00 -0.09 -1.28 0.00 0.00 0.00 178.15 176.62 3gjx h SER 729 N -0.26 -0.21 -0.78 1.72 0.87 -1.31 -0.49 113.55 113.09 3gjx h SER 729 Ca 0.14 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.83 3gjx h SER 729 Cb 0.47 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.41 3gjx h SER 729 CO -0.40 -0.14 0.38 0.00 -0.53 0.00 0.00 176.83 176.15 3gjx h ALA 730 N 0.64 1.13 -0.67 6.23 0.00 -0.63 0.13 119.26 126.09 3gjx h ALA 730 Ca -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3gjx h ALA 730 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gjx h ALA 730 CO 0.01 -0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.36 3gjx h ALA 731 N 1.51 1.06 -0.22 0.00 0.00 -0.55 0.06 119.26 121.12 3gjx h ALA 731 Ca 0.41 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3gjx h ALA 731 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gjx h ALA 731 CO -0.34 0.63 -0.28 0.82 0.00 0.00 0.00 179.25 180.08 3gjx h ILE 732 N 1.00 1.33 -0.70 0.00 1.08 -0.16 -2.11 117.51 117.95 3gjx h ILE 732 Ca 0.22 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 3gjx h ILE 732 Cb 0.32 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 3gjx h ILE 732 CO -0.00 0.46 0.41 -0.61 -0.69 0.00 0.00 178.15 177.71 3gjx h GLN 733 N 0.25 0.95 -0.26 2.37 4.15 -0.57 1.01 115.11 123.01 3gjx h GLN 733 Ca 0.03 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 3gjx h GLN 733 Cb 0.85 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3gjx h GLN 733 CO 0.07 0.68 -0.21 0.00 -1.93 0.00 0.00 178.83 177.44 3gjx h ALA 734 N 1.49 0.38 0.00 3.38 0.00 -0.85 -3.40 119.26 120.26 3gjx h ALA 734 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gjx h ALA 734 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gjx h ALA 734 CO -0.05 0.32 -0.22 0.09 0.00 0.00 0.00 179.25 179.40 3gjx n ASN 735 N -4.37 0.56 -0.35 0.00 3.02 -0.81 -5.10 115.26 108.21 3gjx n ASN 735 Ca -0.04 -1.85 0.04 0.00 -0.03 0.00 0.00 54.58 52.70 3gjx n ASN 735 Cb 0.41 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3gjx n ASN 735 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gjx n GLY 736 N -0.26 -2.82 0.17 7.41 0.00 0.35 -4.42 105.19 105.62 3gjx n GLY 736 Ca 0.02 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.84 3gjx n GLY 736 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gjx n GLU 737 N -2.54 -0.03 -0.34 1.61 4.71 -1.26 -1.36 120.64 121.43 3gjx n GLU 737 Ca -0.02 0.75 0.34 0.00 -0.01 0.00 0.00 57.16 58.22 3gjx n GLU 737 Cb 0.16 -1.30 0.72 0.00 -1.01 0.00 0.00 31.44 30.01 3gjx n GLU 737 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 3gjx h MET 738 N 0.00 0.05 0.00 3.49 4.05 -1.94 0.20 114.93 120.78 3gjx h MET 738 Ca 0.42 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 3gjx h MET 738 Cb 1.07 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 3gjx h MET 738 CO -0.43 0.04 0.04 0.28 0.23 0.00 0.00 176.91 177.07 3gjx n VAL 739 N -4.25 1.53 0.06 -5.77 0.31 -0.46 -1.50 118.33 108.25 3gjx n VAL 739 Ca 0.27 0.59 -0.07 0.00 -0.01 0.00 0.00 64.34 65.11 3gjx n VAL 739 Cb 1.23 -1.59 -0.12 0.00 -0.91 0.00 0.00 33.84 32.46 3gjx n VAL 739 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gjx h THR 740 N 0.00 1.69 -1.65 2.52 1.03 -0.83 -3.35 112.91 112.31 3gjx h THR 740 Ca 0.00 -3.39 -0.73 0.00 -0.01 0.00 0.00 66.41 62.27 3gjx h THR 740 Cb 0.09 2.83 -0.15 0.00 -1.07 0.00 0.00 68.15 69.85 3gjx h THR 740 CO 0.00 0.96 1.76 0.29 -0.01 0.00 0.00 175.52 178.52 3gjx n LYS 741 N -3.34 3.39 -3.64 0.00 5.02 -0.56 -4.32 118.16 114.70 3gjx n LYS 741 Ca -0.00 -3.61 -0.03 0.00 -2.02 0.00 0.00 58.31 52.65 3gjx n LYS 741 Cb 0.94 -3.08 -0.06 0.00 -0.02 0.00 0.00 35.03 32.81 3gjx n LYS 741 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3gjx s GLN 742 N 1.66 0.07 0.00 1.97 -2.07 -1.26 -5.09 119.66 114.94 3gjx s GLN 742 Ca 0.44 0.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.03 3gjx s GLN 742 Cb 0.03 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 3gjx s GLN 742 CO 0.01 -0.02 0.52 -2.30 -1.32 0.00 0.00 175.29 172.18 3gjx n PRO 743 N 1.13 0.00 -0.23 9.60 -0.02 -1.26 -1.92 135.00 142.30 3gjx n PRO 743 Ca -0.06 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3gjx n PRO 743 Cb 0.58 -0.91 0.07 0.00 -0.02 0.00 0.00 33.50 33.22 3gjx n PRO 743 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gjx h LEU 744 N 0.00 -0.72 0.40 2.45 5.85 -1.97 0.35 115.31 121.67 3gjx h LEU 744 Ca 0.00 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3gjx h LEU 744 Cb 0.00 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3gjx h LEU 744 CO 0.00 -0.24 -0.19 0.40 -0.34 0.00 0.00 178.44 178.07 3gjx h ILE 745 N -0.02 0.61 -0.79 4.05 1.08 -1.81 0.67 117.51 121.30 3gjx h ILE 745 Ca 0.32 -0.05 0.17 0.00 -0.39 0.00 0.00 64.86 64.92 3gjx h ILE 745 Cb 0.52 0.63 -0.11 0.00 -3.07 0.00 0.00 36.82 34.79 3gjx h ILE 745 CO -0.71 0.01 0.26 0.03 -0.69 0.00 0.00 178.15 177.04 3gjx h ARG 746 N -0.56 0.33 0.00 2.37 -0.00 -0.39 0.29 114.38 116.41 3gjx h ARG 746 Ca -0.06 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.31 3gjx h ARG 746 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 3gjx h ARG 746 CO 0.09 0.22 -0.46 0.66 0.00 0.00 0.00 179.97 180.48 3gjx h SER 747 N 0.34 0.00 -0.26 7.04 4.64 -0.06 -2.42 113.55 122.83 3gjx h SER 747 Ca 0.46 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.70 3gjx h SER 747 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3gjx h SER 747 CO -0.50 0.46 -0.13 0.24 -0.87 0.00 0.00 176.83 176.03 3gjx h MET 748 N 0.00 0.55 -1.02 4.77 2.86 0.18 -2.80 114.93 119.47 3gjx h MET 748 Ca -0.00 -0.24 0.25 0.00 -2.06 0.00 0.00 59.70 57.65 3gjx h MET 748 Cb 0.86 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.39 3gjx h MET 748 CO 0.06 0.80 0.63 0.00 1.06 0.00 0.00 176.91 179.46 3gjx h ARG 749 N 0.28 0.49 -0.25 1.72 -0.00 -0.27 -2.42 114.38 113.93 3gjx h ARG 749 Ca 0.06 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.47 3gjx h ARG 749 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.49 3gjx h ARG 749 CO 0.04 0.32 -0.01 1.15 0.00 0.00 0.00 179.97 181.47 3gjx h THR 750 N 0.50 1.26 -0.93 2.04 2.02 -1.19 0.23 112.91 116.84 3gjx h THR 750 Ca 0.62 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3gjx h THR 750 Cb 1.35 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 3gjx h THR 750 CO -0.39 0.29 0.61 0.58 0.37 0.00 0.00 175.52 176.98 3gjx h VAL 751 N 0.23 1.15 0.25 3.16 2.07 -1.27 0.03 116.25 121.86 3gjx h VAL 751 Ca 0.07 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3gjx h VAL 751 Cb 0.43 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3gjx h VAL 751 CO 0.01 0.21 -0.12 0.11 0.02 0.00 0.00 177.57 177.81 3gjx h LYS 752 N 1.16 -0.33 -0.78 1.57 1.57 -1.05 -1.21 116.57 117.52 3gjx h LYS 752 Ca 0.38 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.26 3gjx h LYS 752 Cb 0.02 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3gjx h LYS 752 CO -0.13 -0.04 0.51 0.00 -0.57 0.00 0.00 179.45 179.22 3gjx h ARG 753 N -0.62 0.75 0.01 3.15 3.08 -0.36 -1.90 114.38 118.49 3gjx h ARG 753 Ca -0.03 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 3gjx h ARG 753 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3gjx h ARG 753 CO 0.06 0.49 -0.96 0.93 -1.07 0.00 0.00 179.97 179.42 3gjx h GLU 754 N 0.77 0.05 -0.60 0.04 4.39 -0.96 -2.34 114.58 115.93 3gjx h GLU 754 Ca 0.35 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 3gjx h GLU 754 Cb 0.34 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3gjx h GLU 754 CO -0.13 0.97 0.30 1.15 -1.16 0.00 0.00 179.01 180.14 3gjx h THR 755 N 0.02 1.21 -0.15 1.13 2.02 -0.52 -1.18 112.91 115.44 3gjx h THR 755 Ca -0.03 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 3gjx h THR 755 Cb 1.67 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3gjx h THR 755 CO 0.13 0.24 -0.58 -0.07 0.37 0.00 0.00 175.52 175.61 3gjx h LEU 756 N 0.82 0.54 -0.62 2.58 3.38 -1.34 -1.76 115.31 118.92 3gjx h LEU 756 Ca 0.21 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3gjx h LEU 756 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gjx h LEU 756 CO -0.03 1.00 -0.14 0.11 0.09 0.00 0.00 178.44 179.48 3gjx h LYS 757 N 0.37 0.95 0.14 1.13 1.57 -1.33 -0.26 116.57 119.14 3gjx h LYS 757 Ca 0.00 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3gjx h LYS 757 Cb 1.12 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gjx h LYS 757 CO 0.10 1.02 -0.07 1.25 -0.57 0.00 0.00 179.45 181.19 3gjx h LEU 758 N 0.84 -0.16 0.04 2.94 5.85 -1.11 0.30 115.31 124.01 3gjx h LEU 758 Ca 0.13 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3gjx h LEU 758 Cb 0.68 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3gjx h LEU 758 CO 0.05 0.05 -0.17 0.40 -0.34 0.00 0.00 178.44 178.43 3gjx h ILE 759 N -0.38 0.00 -0.42 4.05 2.04 -1.21 -0.11 117.51 121.49 3gjx h ILE 759 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3gjx h ILE 759 Cb 0.30 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3gjx h ILE 759 CO 0.03 0.00 0.24 0.77 0.00 0.00 0.00 178.15 179.20 3gjx h SER 760 N -0.24 0.49 -0.97 1.72 4.64 -1.12 -2.17 113.55 115.90 3gjx h SER 760 Ca -0.00 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3gjx h SER 760 Cb 0.24 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3gjx h SER 760 CO -0.09 0.39 0.64 1.23 -0.87 0.00 0.00 176.83 178.12 3gjx h GLY 761 N 0.62 1.42 0.34 -0.77 0.00 -0.11 -1.36 103.07 103.22 3gjx h GLY 761 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3gjx h GLY 761 CO -0.03 0.42 -0.33 -0.25 0.00 0.00 0.00 176.54 176.35 3gjx h TRP 762 N 1.23 0.24 -0.04 5.60 7.01 -0.46 -3.32 115.95 126.22 3gjx h TRP 762 Ca 0.39 -0.17 0.03 0.00 2.11 0.00 0.00 58.89 61.25 3gjx h TRP 762 Cb 0.00 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 3gjx h TRP 762 CO -0.01 1.09 -0.15 0.28 -2.79 0.00 0.00 178.44 176.86 3gjx h VAL 763 N -0.67 0.61 -0.63 2.65 2.07 -1.39 0.61 116.25 119.50 3gjx h VAL 763 Ca -0.05 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 3gjx h VAL 763 Cb 1.22 0.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.49 3gjx h VAL 763 CO 0.06 0.00 0.32 -1.20 0.02 0.00 0.00 177.57 176.77 3gjx n SER 764 N -5.29 0.20 -0.44 0.57 7.64 -0.52 -0.58 113.62 115.21 3gjx n SER 764 Ca -0.04 1.05 0.05 0.00 1.01 0.00 0.00 58.87 60.93 3gjx n SER 764 Cb 0.21 -0.50 0.06 0.00 -1.01 0.00 0.00 64.21 62.97 3gjx n SER 764 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gjx n ARG 765 N -4.45 0.98 -1.39 1.43 1.74 0.00 -5.01 116.66 109.96 3gjx n ARG 765 Ca 0.23 -1.31 -0.29 0.00 -0.77 0.00 0.00 57.85 55.71 3gjx n ARG 765 Cb 0.79 -1.20 0.13 0.00 -1.02 0.00 0.00 32.46 31.16 3gjx n ARG 765 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gjx s SER 766 N -0.87 3.63 -0.35 0.55 1.04 0.25 -3.63 113.70 114.33 3gjx s SER 766 Ca 0.14 1.24 0.15 0.00 0.48 0.00 0.00 55.95 57.96 3gjx s SER 766 Cb 0.09 -1.91 0.44 0.00 0.10 0.00 0.00 66.02 64.73 3gjx s SER 766 CO 0.13 -2.51 1.08 -0.46 0.98 0.00 0.00 173.24 172.46 3gjx n ASN 767 N -3.77 0.39 -2.94 7.02 0.23 -1.26 -4.95 115.26 109.98 3gjx n ASN 767 Ca 0.07 -2.63 -0.10 0.00 -0.53 0.00 0.00 54.58 51.38 3gjx n ASN 767 Cb 0.57 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 3gjx n ASN 767 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gjx s ASP 768 N -2.52 -0.66 0.10 0.53 -1.08 -1.26 -5.06 116.67 106.72 3gjx s ASP 768 Ca 0.25 -2.07 -0.26 0.00 -0.52 0.00 0.00 52.55 49.96 3gjx s ASP 768 Cb 0.44 1.26 -0.11 0.00 -1.46 0.00 0.00 42.92 43.06 3gjx s ASP 768 CO -0.00 -0.09 1.67 -0.65 0.52 0.00 0.00 175.17 176.63 3gjx h PRO 769 N 5.23 -0.32 -0.44 4.34 0.11 -1.96 -0.33 132.00 138.64 3gjx h PRO 769 Ca 0.12 0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.34 3gjx h PRO 769 Cb 1.06 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3gjx h PRO 769 CO 0.11 -0.22 0.30 0.37 -0.21 0.00 0.00 178.00 178.35 3gjx h GLN 770 N -0.34 0.19 -0.08 1.05 5.75 -1.96 0.18 115.11 119.90 3gjx h GLN 770 Ca 0.01 -0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.31 3gjx h GLN 770 Cb 0.34 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3gjx h GLN 770 CO -0.07 0.13 -0.76 1.98 -2.65 0.00 0.00 178.83 177.45 3gjx h MET 771 N 0.20 0.46 -0.34 1.69 4.05 -1.62 -2.47 114.93 116.90 3gjx h MET 771 Ca 0.20 -0.39 -0.16 0.00 -0.28 0.00 0.00 59.70 59.07 3gjx h MET 771 Cb 0.54 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3gjx h MET 771 CO -0.03 1.03 -0.40 0.28 0.23 0.00 0.00 176.91 178.01 3gjx h VAL 772 N 0.31 1.28 0.00 -5.77 2.07 0.66 -2.44 116.25 112.36 3gjx h VAL 772 Ca -0.04 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 3gjx h VAL 772 Cb 1.36 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3gjx h VAL 772 CO 0.14 0.52 -0.35 0.00 0.02 0.00 0.00 177.57 177.90 3gjx h ALA 773 N 0.73 1.28 0.00 1.67 0.00 -0.75 -1.25 119.26 120.94 3gjx h ALA 773 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gjx h ALA 773 Cb 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gjx h ALA 773 CO 0.10 0.43 -1.60 0.39 0.00 0.00 0.00 179.25 178.57 3gjx n GLU 774 N -3.91 0.63 -0.02 0.00 1.02 -0.93 -4.31 120.64 113.12 3gjx n GLU 774 Ca -0.02 -0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.02 3gjx n GLU 774 Cb 0.41 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3gjx n GLU 774 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gjx n ASN 775 N -2.41 2.59 -0.02 1.62 3.02 -0.93 -4.78 115.26 114.35 3gjx n ASN 775 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.62 3gjx n ASN 775 Cb 0.56 -0.08 -0.17 0.00 -0.61 0.00 0.00 39.78 39.48 3gjx n ASN 775 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gjx n PHE 776 N -2.79 0.00 -0.03 3.10 3.01 -0.54 -4.56 117.46 115.64 3gjx n PHE 776 Ca -0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.20 3gjx n PHE 776 Cb 0.56 -0.54 -0.13 0.00 -0.01 0.00 0.00 39.48 39.36 3gjx n PHE 776 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3gjx h VAL 777 N 0.00 1.37 -0.40 -4.37 2.07 -1.56 -3.36 116.25 110.00 3gjx h VAL 777 Ca -0.05 -2.37 0.06 0.00 0.82 0.00 0.00 66.70 65.16 3gjx h VAL 777 Cb 1.12 2.95 -0.05 0.00 -1.52 0.00 0.00 31.29 33.78 3gjx h VAL 777 CO 0.00 0.60 0.07 -0.65 0.02 0.00 0.00 177.57 177.61 3gjx h PRO 778 N -0.68 0.19 -0.32 1.57 0.11 -1.81 -0.93 132.00 130.13 3gjx h PRO 778 Ca -0.18 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3gjx h PRO 778 Cb 1.39 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 3gjx h PRO 778 CO 0.01 0.12 0.26 -1.35 -0.21 0.00 0.00 178.00 176.83 3gjx h PRO 779 N 0.19 0.00 -0.76 1.05 0.11 -1.81 -1.20 132.00 129.59 3gjx h PRO 779 Ca 0.19 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.38 3gjx h PRO 779 Cb 0.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.28 3gjx h PRO 779 CO -0.26 0.00 0.43 -0.07 -0.21 0.00 0.00 178.00 177.89 3gjx h LEU 780 N 0.00 0.62 -0.12 2.35 3.38 -1.30 -2.85 115.31 117.38 3gjx h LEU 780 Ca 0.15 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3gjx h LEU 780 Cb 0.66 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3gjx h LEU 780 CO -0.00 0.38 -0.51 0.25 0.09 0.00 0.00 178.44 178.64 3gjx h LEU 781 N 0.75 -1.62 0.85 1.67 6.46 -1.22 0.43 115.31 122.62 3gjx h LEU 781 Ca 0.35 0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 58.27 3gjx h LEU 781 Cb 0.27 0.64 0.01 0.00 -0.73 0.00 0.00 40.66 40.85 3gjx h LEU 781 CO -0.22 -0.48 -0.41 -0.78 -0.62 0.00 0.00 178.44 175.94 3gjx h ASP 782 N -0.57 -0.96 0.59 1.25 3.58 -1.68 -0.43 116.42 118.21 3gjx h ASP 782 Ca 0.04 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 3gjx h ASP 782 Cb 0.68 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3gjx h ASP 782 CO -0.42 -0.65 -0.44 0.00 -2.88 0.00 0.00 179.24 174.85 3gjx h ALA 783 N -1.39 1.13 0.00 -0.78 0.00 -1.39 -3.19 119.26 113.63 3gjx h ALA 783 Ca -0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3gjx h ALA 783 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3gjx h ALA 783 CO 0.19 0.55 -1.32 0.28 0.00 0.00 0.00 179.25 178.95 3gjx n VAL 784 N -3.80 0.31 0.01 0.00 0.31 0.15 -4.38 118.33 110.93 3gjx n VAL 784 Ca -0.01 -0.08 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 3gjx n VAL 784 Cb 0.50 -1.55 -0.11 0.00 -0.91 0.00 0.00 33.84 31.77 3gjx n VAL 784 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3gjx h LEU 785 N -0.20 0.60 -0.67 7.52 3.38 -1.28 -1.75 115.31 122.91 3gjx h LEU 785 Ca -0.14 -0.77 -0.14 0.00 0.09 0.00 0.00 57.88 56.91 3gjx h LEU 785 Cb 1.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3gjx h LEU 785 CO -0.09 1.29 -0.64 0.40 0.09 0.00 0.00 178.44 179.49 3gjx h ILE 786 N -0.03 1.44 -0.05 1.22 2.04 -1.14 -1.80 117.51 119.19 3gjx h ILE 786 Ca -0.09 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.62 3gjx h ILE 786 Cb 1.41 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3gjx h ILE 786 CO 0.14 0.62 0.03 -0.78 0.00 0.00 0.00 178.15 178.16 3gjx h ASP 787 N 0.07 0.06 -0.58 1.72 3.58 -1.62 -0.44 116.42 119.20 3gjx h ASP 787 Ca -0.01 -0.04 0.11 0.00 0.42 0.00 0.00 57.03 57.51 3gjx h ASP 787 Cb 1.15 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.10 3gjx h ASP 787 CO 0.09 0.08 0.09 0.22 -2.88 0.00 0.00 179.24 176.84 3gjx h TYR 788 N 0.03 0.13 -0.58 0.28 3.20 -1.11 0.15 116.97 119.07 3gjx h TYR 788 Ca 0.02 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3gjx h TYR 788 Cb 0.03 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3gjx h TYR 788 CO -0.06 -0.06 0.16 0.37 -1.64 0.00 0.00 178.16 176.93 3gjx h GLN 789 N 0.22 0.88 0.00 1.82 4.15 -1.19 -3.06 115.11 117.92 3gjx h GLN 789 Ca 0.30 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3gjx h GLN 789 Cb 0.46 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3gjx h GLN 789 CO -0.42 0.77 -0.51 0.00 -1.93 0.00 0.00 178.83 176.75 3gjx h ARG 790 N 0.85 0.00 -7.10 1.69 3.08 -0.21 -3.46 114.38 109.23 3gjx h ARG 790 Ca 0.19 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.69 3gjx h ARG 790 Cb 0.28 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.46 3gjx h ARG 790 CO -0.01 0.13 0.51 -0.80 -1.07 0.00 0.00 179.97 178.74 3gjx s ASN 791 N -6.00 4.91 0.59 7.04 0.01 0.44 -4.98 114.94 116.95 3gjx s ASN 791 Ca 0.03 2.54 -0.19 0.00 -0.71 0.00 0.00 52.86 54.54 3gjx s ASN 791 Cb 0.07 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 3gjx s ASN 791 CO 0.73 -1.79 1.25 0.68 -1.51 0.00 0.00 177.10 176.45 3gjx s VAL 792 N -1.46 2.44 0.19 1.60 -7.23 -1.26 -4.81 120.40 109.87 3gjx s VAL 792 Ca 0.79 0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 61.03 3gjx s VAL 792 Cb -0.35 -3.12 0.12 0.00 0.56 0.00 0.00 36.38 33.59 3gjx s VAL 792 CO 0.38 -0.05 1.57 -0.65 -0.31 0.00 0.00 175.10 176.03 3gjx h PRO 793 N 0.97 -0.11 0.00 4.82 0.11 -1.93 0.93 132.00 136.79 3gjx h PRO 793 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gjx h PRO 793 Cb 1.30 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3gjx h PRO 793 CO 0.55 -0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 3gjx n ALA 794 N -3.26 1.56 0.00 -0.75 0.00 -1.26 -1.52 120.51 115.27 3gjx n ALA 794 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gjx n ALA 794 Cb 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3gjx n ALA 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gjx n ALA 795 N -0.84 1.92 -2.16 0.00 0.00 0.31 -4.98 120.51 114.77 3gjx n ALA 795 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3gjx n ALA 795 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3gjx n ALA 795 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gjx s ARG 796 N -1.07 4.23 -0.35 0.00 0.52 -0.58 -4.89 118.95 116.81 3gjx s ARG 796 Ca 0.00 2.02 -0.29 0.00 -0.52 0.00 0.00 55.73 56.94 3gjx s ARG 796 Cb 0.00 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.70 3gjx s ARG 796 CO 0.00 -0.72 1.30 -2.00 0.02 0.00 0.00 175.30 173.90 3gjx s GLU 797 N 3.28 3.82 0.51 3.54 2.56 -1.26 -4.89 118.70 126.25 3gjx s GLU 797 Ca 0.66 1.08 0.22 0.00 0.00 0.00 0.00 54.97 56.94 3gjx s GLU 797 Cb -0.31 -3.91 1.37 0.00 2.00 0.00 0.00 34.13 33.28 3gjx s GLU 797 CO 0.26 -1.25 2.09 -1.35 -0.56 0.00 0.00 175.26 174.45 3gjx h PRO 798 N 9.56 0.00 0.00 4.30 0.11 -1.92 -1.50 132.00 142.55 3gjx h PRO 798 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gjx h PRO 798 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gjx h PRO 798 CO 1.06 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 179.34 3gjx n GLU 799 N -4.00 0.84 0.05 1.05 -0.58 -1.26 -1.74 120.64 114.99 3gjx n GLU 799 Ca -0.02 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.53 3gjx n GLU 799 Cb 0.19 -1.13 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 3gjx n GLU 799 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gjx h VAL 800 N 0.00 1.30 -0.28 2.62 2.07 -1.67 -2.67 116.25 117.62 3gjx h VAL 800 Ca 0.00 -2.28 -0.11 0.00 0.82 0.00 0.00 66.70 65.13 3gjx h VAL 800 Cb 0.00 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3gjx h VAL 800 CO 0.00 0.70 -0.27 -0.07 0.02 0.00 0.00 177.57 177.95 3gjx h LEU 801 N 0.37 0.72 -0.68 2.57 3.38 -1.53 -1.67 115.31 118.47 3gjx h LEU 801 Ca -0.12 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.25 3gjx h LEU 801 Cb 1.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3gjx h LEU 801 CO 0.20 1.04 -0.41 0.77 0.09 0.00 0.00 178.44 180.13 3gjx h SER 802 N 0.42 0.57 -0.60 -0.43 4.64 -1.69 -0.19 113.55 116.28 3gjx h SER 802 Ca 0.05 -0.26 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3gjx h SER 802 Cb 0.83 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3gjx h SER 802 CO 0.07 0.92 0.36 0.74 -0.87 0.00 0.00 176.83 178.05 3gjx h THR 803 N 0.44 1.06 -0.40 2.95 2.02 -1.36 -1.15 112.91 116.47 3gjx h THR 803 Ca 0.04 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 3gjx h THR 803 Cb 0.91 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3gjx h THR 803 CO 0.08 0.13 -0.30 0.24 0.37 0.00 0.00 175.52 176.03 3gjx h MET 804 N 0.71 0.92 -0.54 6.66 2.07 -1.02 -2.49 114.93 121.24 3gjx h MET 804 Ca 0.24 -0.45 0.10 0.00 -2.07 0.00 0.00 59.70 57.52 3gjx h MET 804 Cb 0.04 -0.00 -0.08 0.00 -1.87 0.00 0.00 31.60 29.69 3gjx h MET 804 CO -0.11 1.10 0.10 0.00 1.07 0.00 0.00 176.91 179.08 3gjx h ALA 805 N 0.80 0.61 -0.52 6.32 0.00 -0.77 0.20 119.26 125.89 3gjx h ALA 805 Ca 0.08 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3gjx h ALA 805 Cb 0.89 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3gjx h ALA 805 CO 0.08 -0.32 0.25 0.82 0.00 0.00 0.00 179.25 180.08 3gjx h ILE 806 N 0.23 1.20 -0.76 0.00 2.04 -1.08 -0.52 117.51 118.62 3gjx h ILE 806 Ca 0.28 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3gjx h ILE 806 Cb 0.40 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3gjx h ILE 806 CO -0.37 0.22 0.35 0.40 0.00 0.00 0.00 178.15 178.75 3gjx h ILE 807 N 0.69 1.24 -0.25 -0.67 2.04 -0.89 -2.66 117.51 117.01 3gjx h ILE 807 Ca 0.18 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 65.16 3gjx h ILE 807 Cb 0.12 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3gjx h ILE 807 CO -0.02 0.29 -0.54 0.58 0.00 0.00 0.00 178.15 178.46 3gjx h VAL 808 N 1.08 1.29 0.00 1.67 2.07 -0.66 -0.69 116.25 121.01 3gjx h VAL 808 Ca 0.26 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3gjx h VAL 808 Cb 0.13 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3gjx h VAL 808 CO -0.03 0.56 -0.01 0.78 0.02 0.00 0.00 177.57 178.89 3gjx h ASN 809 N 0.57 0.00 0.00 0.57 2.35 -0.77 -2.24 115.58 116.06 3gjx h ASN 809 Ca 0.01 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.42 3gjx h ASN 809 Cb 1.12 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 3gjx h ASN 809 CO 0.11 0.01 -2.31 1.17 -1.65 0.00 0.00 177.43 174.76 3gjx n LYS 810 N -3.15 0.76 0.00 0.81 3.00 -1.04 -4.62 118.16 113.92 3gjx n LYS 810 Ca -0.02 0.08 0.11 0.00 -0.00 0.00 0.00 58.31 58.47 3gjx n LYS 810 Cb 0.12 -1.47 -0.14 0.00 0.00 0.00 0.00 35.03 33.54 3gjx n LYS 810 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3gjx n LEU 811 N -2.98 0.19 0.00 3.14 4.77 -0.29 -5.01 117.00 116.82 3gjx n LEU 811 Ca -0.37 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3gjx n LEU 811 Cb 1.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3gjx n LEU 811 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3gjx n GLY 812 N 1.28 2.64 0.40 -0.72 0.00 -0.85 -0.75 105.19 107.18 3gjx n GLY 812 Ca -0.03 0.11 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3gjx n GLY 812 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gjx h GLY 813 N 0.00 0.00 2.00 -0.02 0.00 -1.91 0.38 103.07 103.52 3gjx h GLY 813 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gjx h GLY 813 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 3gjx n HIS 814 N -3.27 0.44 -0.04 5.60 -0.00 0.07 -3.13 115.22 114.89 3gjx n HIS 814 Ca 0.07 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 3gjx n HIS 814 Cb 0.78 -0.74 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 3gjx n HIS 814 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3gjx n ILE 815 N -1.88 0.00 -0.28 1.59 3.06 0.11 -4.72 119.36 117.24 3gjx n ILE 815 Ca 0.04 -0.47 0.09 0.00 -2.50 0.00 0.00 62.75 59.91 3gjx n ILE 815 Cb 0.28 1.04 0.24 0.00 0.54 0.00 0.00 39.64 41.74 3gjx n ILE 815 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 3gjx h THR 816 N 0.04 0.51 -0.17 9.51 2.02 -1.47 -0.16 112.91 123.20 3gjx h THR 816 Ca 0.00 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3gjx h THR 816 Cb 0.02 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3gjx h THR 816 CO 0.00 0.06 0.12 0.00 0.37 0.00 0.00 175.52 176.07 3gjx h ALA 817 N 1.65 1.96 -0.01 6.16 0.00 -1.85 -2.70 119.26 124.47 3gjx h ALA 817 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3gjx h ALA 817 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gjx h ALA 817 CO -0.51 0.02 -0.16 -0.85 0.00 0.00 0.00 179.25 177.75 3gjx n GLU 818 N -4.51 1.38 -0.36 0.00 0.00 -0.10 -4.35 120.64 112.70 3gjx n GLU 818 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 57.16 56.30 3gjx n GLU 818 Cb 0.13 -1.48 0.23 0.00 0.00 0.00 0.00 31.44 30.32 3gjx n GLU 818 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3gjx h ILE 819 N 2.25 0.94 -0.27 3.84 1.08 -1.16 -2.04 117.51 122.16 3gjx h ILE 819 Ca 0.00 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 3gjx h ILE 819 Cb 0.61 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3gjx h ILE 819 CO 0.00 0.18 0.17 -0.65 -0.69 0.00 0.00 178.15 177.16 3gjx h PRO 820 N 1.01 0.33 -0.61 2.37 0.11 -1.79 0.28 132.00 133.69 3gjx h PRO 820 Ca 0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 3gjx h PRO 820 Cb 0.44 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3gjx h PRO 820 CO -0.25 0.22 0.34 0.37 -0.21 0.00 0.00 178.00 178.46 3gjx h GLN 821 N 0.34 0.86 0.45 1.05 -0.00 -1.68 -1.10 115.11 115.03 3gjx h GLN 821 Ca 0.10 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3gjx h GLN 821 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.29 3gjx h GLN 821 CO -0.03 0.65 -0.22 0.82 0.00 0.00 0.00 178.83 180.05 3gjx h ILE 822 N 0.83 0.56 -0.19 2.39 2.04 -1.27 -2.31 117.51 119.56 3gjx h ILE 822 Ca 0.22 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.09 3gjx h ILE 822 Cb 0.04 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3gjx h ILE 822 CO -0.04 0.01 0.14 -0.26 0.00 0.00 0.00 178.15 178.01 3gjx h PHE 823 N -0.63 0.00 -0.07 1.37 -1.00 -0.86 0.88 116.94 116.63 3gjx h PHE 823 Ca -0.06 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.62 3gjx h PHE 823 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3gjx h PHE 823 CO -0.04 0.00 -0.41 0.22 -1.61 0.00 0.00 178.31 176.47 3gjx h ASP 824 N 0.00 0.15 0.04 2.17 3.58 -0.68 -0.68 116.42 121.00 3gjx h ASP 824 Ca 0.09 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gjx h ASP 824 Cb 0.37 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3gjx h ASP 824 CO -0.00 0.55 -0.02 0.00 -2.88 0.00 0.00 179.24 176.88 3gjx h ALA 825 N 1.46 -0.06 0.00 -0.78 0.00 -0.32 -3.42 119.26 116.15 3gjx h ALA 825 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gjx h ALA 825 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gjx h ALA 825 CO 0.06 -0.19 -0.35 1.33 0.00 0.00 0.00 179.25 180.10 3gjx n VAL 826 N -4.80 0.00 0.00 0.00 0.24 -0.94 -4.42 118.33 108.41 3gjx n VAL 826 Ca -0.09 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3gjx n VAL 826 Cb 0.32 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3gjx n VAL 826 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3gjx n PHE 827 N -1.18 0.00 -0.36 6.34 7.35 -0.26 -1.74 117.46 127.61 3gjx n PHE 827 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3gjx n PHE 827 Cb 0.06 -0.30 0.14 0.00 0.35 0.00 0.00 39.48 39.74 3gjx n PHE 827 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3gjx h GLU 828 N 0.00 1.17 -0.59 -4.13 4.81 -1.88 0.95 114.58 114.91 3gjx h GLU 828 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3gjx h GLU 828 Cb 0.00 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 3gjx h GLU 828 CO 0.00 0.77 0.24 0.00 -0.73 0.00 0.00 179.01 179.29 3gjx h THR 830 N 0.81 1.19 -0.92 0.00 2.02 -0.88 -2.86 112.91 112.28 3gjx h THR 830 Ca 0.20 -0.60 0.16 0.00 0.77 0.00 0.00 66.41 66.94 3gjx h THR 830 Cb 0.19 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 67.85 3gjx h THR 830 CO -0.02 0.18 0.51 0.25 0.37 0.00 0.00 175.52 176.81 3gjx h LEU 831 N 0.02 0.64 -1.64 2.58 5.85 -0.58 -0.54 115.31 121.64 3gjx h LEU 831 Ca 0.04 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3gjx h LEU 831 Cb 0.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3gjx h LEU 831 CO 0.00 0.26 -0.08 0.78 -0.34 0.00 0.00 178.44 179.06 3gjx h ASN 832 N 0.69 0.00 1.77 1.25 2.35 -0.83 -1.46 115.58 119.36 3gjx h ASN 832 Ca 0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.25 3gjx h ASN 832 Cb 0.74 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 3gjx h ASN 832 CO -0.37 0.08 -0.02 0.24 -1.65 0.00 0.00 177.43 175.71 3gjx h MET 833 N 0.00 0.00 0.00 0.81 2.86 -0.92 -3.36 114.93 114.32 3gjx h MET 833 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gjx h MET 833 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3gjx h MET 833 CO 0.01 0.02 -0.00 0.44 1.06 0.00 0.00 176.91 178.44 3gjx n ILE 834 N -3.11 1.05 -0.08 -1.22 -5.35 -0.60 -4.75 119.36 105.31 3gjx n ILE 834 Ca 0.03 -1.09 0.07 0.00 -0.27 0.00 0.00 62.75 61.50 3gjx n ILE 834 Cb 0.49 0.45 0.18 0.00 -1.74 0.00 0.00 39.64 39.01 3gjx n ILE 834 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gjx n ASN 835 N -0.57 3.03 -0.85 7.28 6.94 -0.88 -4.40 115.26 125.82 3gjx n ASN 835 Ca 0.01 -1.93 0.12 0.00 -0.02 0.00 0.00 54.58 52.76 3gjx n ASN 835 Cb 0.29 -0.25 0.08 0.00 -2.36 0.00 0.00 39.78 37.54 3gjx n ASN 835 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gjx n LYS 836 N 0.83 2.05 0.00 -3.83 4.76 -1.26 -5.02 118.16 115.69 3gjx n LYS 836 Ca 0.14 -1.71 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 3gjx n LYS 836 Cb 0.46 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3gjx n LYS 836 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gjx n ASP 837 N 1.04 0.00 -1.16 4.39 5.75 -1.26 -5.05 116.55 120.27 3gjx n ASP 837 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.02 3gjx n ASP 837 Cb 0.56 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.90 3gjx n ASP 837 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3gjx n PHE 838 N -0.24 0.58 -0.07 2.11 3.01 -1.26 -4.60 117.46 116.99 3gjx n PHE 838 Ca 0.00 -0.29 -0.11 0.00 1.01 0.00 0.00 57.45 58.06 3gjx n PHE 838 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 3gjx n PHE 838 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gjx n GLU 839 N 1.45 0.36 -2.65 -1.08 1.02 -1.26 -4.82 120.64 113.65 3gjx n GLU 839 Ca 0.20 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 57.10 3gjx n GLU 839 Cb 0.59 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.70 3gjx n GLU 839 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gjx s GLU 840 N -2.29 4.01 -1.16 3.49 2.12 -1.26 -4.23 118.70 119.38 3gjx s GLU 840 Ca -0.20 1.19 -0.07 0.00 0.36 0.00 0.00 54.97 56.25 3gjx s GLU 840 Cb 0.06 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.28 3gjx s GLU 840 CO 0.33 -0.23 0.84 0.66 -0.54 0.00 0.00 175.26 176.32 3gjx n TYR 841 N -0.90 -2.14 0.01 5.30 4.02 -1.26 -4.82 117.16 117.37 3gjx n TYR 841 Ca 0.08 0.76 -0.10 0.00 -0.01 0.00 0.00 57.90 58.64 3gjx n TYR 841 Cb 0.53 -4.15 -0.03 0.00 -0.02 0.00 0.00 39.34 35.67 3gjx n TYR 841 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3gjx h PRO 842 N -1.60 -0.19 0.00 -0.72 0.11 -1.96 -1.20 132.00 126.44 3gjx h PRO 842 Ca -0.62 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.48 3gjx h PRO 842 Cb 1.34 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 3gjx h PRO 842 CO 0.49 -0.12 -0.08 0.93 -0.21 0.00 0.00 178.00 179.01 3gjx h GLU 843 N -0.19 0.00 -0.05 1.05 5.08 -1.96 -0.38 114.58 118.13 3gjx h GLU 843 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3gjx h GLU 843 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3gjx h GLU 843 CO -0.22 0.08 -0.65 0.45 -1.00 0.00 0.00 179.01 177.67 3gjx h HIS 844 N 0.00 0.26 0.35 4.33 3.86 -1.59 -2.01 115.15 120.35 3gjx h HIS 844 Ca -0.00 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3gjx h HIS 844 Cb 0.16 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gjx h HIS 844 CO 0.00 0.79 -0.17 0.00 0.86 0.00 0.00 177.93 179.42 3gjx h ARG 845 N 0.14 -0.45 -0.37 2.45 3.08 -0.54 0.14 114.38 118.82 3gjx h ARG 845 Ca -0.01 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3gjx h ARG 845 Cb 1.17 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.24 3gjx h ARG 845 CO 0.10 -0.16 -0.43 1.15 -1.07 0.00 0.00 179.97 179.55 3gjx h THR 846 N -1.01 0.11 -0.42 2.04 2.02 -1.44 -2.66 112.91 111.55 3gjx h THR 846 Ca -0.05 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 3gjx h THR 846 Cb 0.50 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3gjx h THR 846 CO 0.08 0.00 -0.23 0.78 0.37 0.00 0.00 175.52 176.52 3gjx h ASN 847 N -0.35 0.92 -0.97 4.18 4.21 -1.39 -1.85 115.58 120.33 3gjx h ASN 847 Ca 0.13 -0.41 0.08 0.00 1.21 0.00 0.00 56.30 57.31 3gjx h ASN 847 Cb 0.59 -0.25 -0.07 0.00 -1.12 0.00 0.00 38.32 37.46 3gjx h ASN 847 CO -0.55 1.13 0.62 0.15 -1.29 0.00 0.00 177.43 177.49 3gjx h PHE 848 N 0.71 1.12 0.00 1.19 3.57 -0.68 -2.16 116.94 120.69 3gjx h PHE 848 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3gjx h PHE 848 Cb 0.80 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3gjx h PHE 848 CO 0.06 0.54 -0.24 0.74 -2.23 0.00 0.00 178.31 177.18 3gjx h PHE 849 N 1.06 0.00 -0.51 0.41 -1.00 -1.23 -2.31 116.94 113.35 3gjx h PHE 849 Ca 0.44 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.10 3gjx h PHE 849 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 3gjx h PHE 849 CO -0.00 0.20 -0.14 -0.07 -1.61 0.00 0.00 178.31 176.69 3gjx h LEU 850 N 0.00 0.99 -0.35 1.54 3.38 -0.78 -1.71 115.31 118.37 3gjx h LEU 850 Ca -0.00 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 3gjx h LEU 850 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3gjx h LEU 850 CO 0.03 1.12 -0.18 0.25 0.09 0.00 0.00 178.44 179.75 3gjx h LEU 851 N 0.87 0.77 -1.40 1.67 5.85 -1.31 -1.74 115.31 120.01 3gjx h LEU 851 Ca 0.13 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3gjx h LEU 851 Cb 0.70 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3gjx h LEU 851 CO 0.05 1.01 -0.05 0.25 -0.34 0.00 0.00 178.44 179.36 3gjx h LEU 852 N 0.53 0.31 -0.56 2.25 5.85 -1.38 0.77 115.31 123.07 3gjx h LEU 852 Ca 0.08 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3gjx h LEU 852 Cb 0.72 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3gjx h LEU 852 CO 0.05 0.41 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.93 3gjx h GLN 853 N 0.32 1.01 -0.34 1.25 4.15 -1.06 -0.28 115.11 120.16 3gjx h GLN 853 Ca 0.07 -0.33 -0.07 0.00 0.77 0.00 0.00 58.65 59.09 3gjx h GLN 853 Cb 0.30 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3gjx h GLN 853 CO 0.01 1.01 -0.04 0.00 -1.93 0.00 0.00 178.83 177.88 3gjx h ALA 854 N 0.96 0.46 0.91 3.38 0.00 -0.35 0.25 119.26 124.87 3gjx h ALA 854 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gjx h ALA 854 Cb 0.57 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gjx h ALA 854 CO 0.03 0.27 -0.44 0.28 0.00 0.00 0.00 179.25 179.39 3gjx h VAL 855 N 0.42 0.00 -0.87 0.00 2.07 -0.87 0.49 116.25 117.48 3gjx h VAL 855 Ca 0.09 -0.03 0.23 0.00 0.82 0.00 0.00 66.70 67.81 3gjx h VAL 855 Cb 0.52 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.15 3gjx h VAL 855 CO 0.03 0.00 0.20 -1.13 0.02 0.00 0.00 177.57 176.69 3gjx h ASN 856 N -1.26 -0.06 0.13 0.57 -1.24 -1.02 0.26 115.58 112.96 3gjx h ASN 856 Ca -0.13 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3gjx h ASN 856 Cb 0.94 0.29 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3gjx h ASN 856 CO 0.21 -0.17 -0.06 0.28 -1.29 0.00 0.00 177.43 176.39 3gjx h SER 857 N 0.18 -0.15 -0.01 1.15 0.02 -0.23 -3.34 113.55 111.17 3gjx h SER 857 Ca 0.54 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3gjx h SER 857 Cb 1.09 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3gjx h SER 857 CO -0.67 0.36 -0.33 1.41 -1.14 0.00 0.00 176.83 176.45 3gjx n HIS 858 N -4.93 0.00 -2.40 3.45 8.25 0.14 -4.63 115.22 115.10 3gjx n HIS 858 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 3gjx n HIS 858 Cb 0.27 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.43 3gjx n HIS 858 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gjx h PHE 860 N 1.40 0.23 0.00 0.00 3.57 -1.64 -0.68 116.94 119.81 3gjx h PHE 860 Ca -0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3gjx h PHE 860 Cb 1.61 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.27 3gjx h PHE 860 CO 0.38 0.08 0.00 -2.30 -2.23 0.00 0.00 178.31 174.24 3gjx n PRO 861 N -4.41 0.11 -0.20 6.41 -0.02 -1.26 -1.74 135.00 133.89 3gjx n PRO 861 Ca 0.14 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3gjx n PRO 861 Cb 0.66 -1.83 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 3gjx n PRO 861 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gjx h ALA 862 N 2.05 0.74 0.00 3.55 0.00 -1.43 -2.63 119.26 121.55 3gjx h ALA 862 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3gjx h ALA 862 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gjx h ALA 862 CO 0.00 0.47 -0.14 0.74 0.00 0.00 0.00 179.25 180.33 3gjx h PHE 863 N 0.82 0.00 -0.12 0.00 0.05 -1.54 0.13 116.94 116.28 3gjx h PHE 863 Ca 0.17 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.96 3gjx h PHE 863 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.33 3gjx h PHE 863 CO 0.03 0.14 0.00 1.28 -0.18 0.00 0.00 178.31 179.57 3gjx n LEU 864 N -4.03 0.93 -0.04 1.54 4.77 -1.01 -3.77 117.00 115.40 3gjx n LEU 864 Ca -0.02 -0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 55.53 3gjx n LEU 864 Cb 0.22 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3gjx n LEU 864 CO 0.33 0.20 -0.79 0.00 -1.33 0.00 0.00 177.39 175.81 3gjx n ALA 865 N -0.13 1.92 -2.60 -1.18 0.00 0.01 -5.04 120.51 113.49 3gjx n ALA 865 Ca 0.13 -0.58 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 3gjx n ALA 865 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 3gjx n ALA 865 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3gjx s ILE 866 N -2.39 5.08 0.48 0.00 -4.36 -1.05 -5.04 121.20 113.92 3gjx s ILE 866 Ca -0.05 -0.22 -0.23 0.00 -0.26 0.00 0.00 60.65 59.89 3gjx s ILE 866 Cb 0.04 -3.79 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 3gjx s ILE 866 CO 0.44 -0.42 1.17 -2.65 0.24 0.00 0.00 174.94 173.72 3gjx n PRO 867 N -1.31 1.56 -0.28 0.37 -0.02 -1.26 -4.62 135.00 129.44 3gjx n PRO 867 Ca -0.03 0.57 0.25 0.00 -2.02 0.00 0.00 63.50 62.26 3gjx n PRO 867 Cb 0.55 -2.31 0.58 0.00 -0.02 0.00 0.00 33.50 32.30 3gjx n PRO 867 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gjx h PRO 868 N 1.53 0.27 -0.37 0.52 0.11 -1.96 0.39 132.00 132.50 3gjx h PRO 868 Ca -0.48 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 3gjx h PRO 868 Cb 1.32 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3gjx h PRO 868 CO 0.57 0.18 -0.38 0.00 -0.21 0.00 0.00 178.00 178.15 3gjx h ALA 869 N 1.57 0.63 0.06 -0.75 0.00 -1.99 -0.49 119.26 118.29 3gjx h ALA 869 Ca 0.54 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gjx h ALA 869 Cb 1.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3gjx h ALA 869 CO -0.18 0.67 -0.03 1.96 0.00 0.00 0.00 179.25 181.68 3gjx h GLN 870 N 0.72 -0.08 -0.84 0.00 4.20 -0.67 -2.40 115.11 116.04 3gjx h GLN 870 Ca 0.06 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.87 3gjx h GLN 870 Cb 0.96 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.69 3gjx h GLN 870 CO 0.09 0.07 0.48 0.35 -0.67 0.00 0.00 178.83 179.16 3gjx h PHE 871 N -0.22 0.87 -0.82 2.96 3.57 -0.76 -0.21 116.94 122.34 3gjx h PHE 871 Ca -0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3gjx h PHE 871 Cb 0.19 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 3gjx h PHE 871 CO -0.03 0.35 0.54 -0.22 -2.23 0.00 0.00 178.31 176.72 3gjx h LYS 872 N 0.80 1.04 -0.32 1.11 3.64 -0.91 -0.18 116.57 121.74 3gjx h LYS 872 Ca 0.40 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 3gjx h LYS 872 Cb 0.37 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3gjx h LYS 872 CO -0.25 0.69 -0.26 1.25 -2.27 0.00 0.00 179.45 178.61 3gjx h LEU 873 N 1.07 0.67 -0.19 5.20 5.85 -0.55 -1.51 115.31 125.85 3gjx h LEU 873 Ca 0.31 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3gjx h LEU 873 Cb -0.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3gjx h LEU 873 CO -0.08 0.90 0.04 0.58 -0.34 0.00 0.00 178.44 179.55 3gjx h VAL 874 N 0.57 0.92 -0.51 1.05 2.07 -0.30 -2.04 116.25 118.01 3gjx h VAL 874 Ca 0.08 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3gjx h VAL 874 Cb 0.74 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3gjx h VAL 874 CO 0.06 0.02 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 3gjx h LEU 875 N 0.12 0.83 -1.06 2.57 6.46 -0.83 -2.23 115.31 121.17 3gjx h LEU 875 Ca 0.08 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 3gjx h LEU 875 Cb 0.08 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 3gjx h LEU 875 CO -0.11 0.90 0.32 0.44 -0.62 0.00 0.00 178.44 179.38 3gjx h ASP 876 N 0.79 0.89 -0.49 1.25 3.32 -1.21 -1.10 116.42 119.88 3gjx h ASP 876 Ca 0.15 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3gjx h ASP 876 Cb 0.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3gjx h ASP 876 CO 0.02 0.76 0.07 0.77 -1.72 0.00 0.00 179.24 179.15 3gjx h SER 877 N 0.98 0.84 -0.13 6.45 4.64 -0.80 0.49 113.55 126.01 3gjx h SER 877 Ca 0.24 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gjx h SER 877 Cb 0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3gjx h SER 877 CO -0.03 0.86 0.08 0.40 -0.87 0.00 0.00 176.83 177.26 3gjx h ILE 878 N 0.83 1.07 -0.60 0.95 2.04 -0.87 0.27 117.51 121.21 3gjx h ILE 878 Ca 0.17 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3gjx h ILE 878 Cb 0.39 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3gjx h ILE 878 CO 0.01 0.07 0.33 0.40 0.00 0.00 0.00 178.15 178.96 3gjx h ILE 879 N 0.14 0.99 -0.04 -0.67 1.08 -1.05 -1.90 117.51 116.05 3gjx h ILE 879 Ca 0.05 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3gjx h ILE 879 Cb 0.04 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3gjx h ILE 879 CO -0.01 0.12 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.27 3gjx h TRP 880 N 0.64 -0.11 -0.17 1.37 2.91 -0.17 -2.01 115.95 118.40 3gjx h TRP 880 Ca 0.26 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.34 3gjx h TRP 880 Cb 0.13 0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 28.77 3gjx h TRP 880 CO -0.08 -0.07 -0.29 0.00 -1.03 0.00 0.00 178.44 176.97 3gjx h ALA 881 N 0.97 -0.28 0.00 2.65 0.00 -0.19 -2.43 119.26 119.99 3gjx h ALA 881 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gjx h ALA 881 Cb 0.11 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gjx h ALA 881 CO -0.08 -0.75 0.00 1.97 0.00 0.00 0.00 179.25 180.39 3gjx n PHE 882 N -5.40 0.00 1.22 0.00 1.16 -0.74 -0.67 117.46 113.03 3gjx n PHE 882 Ca -0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 3gjx n PHE 882 Cb 0.31 -0.33 0.44 0.00 -1.61 0.00 0.00 39.48 38.29 3gjx n PHE 882 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3gjx n LYS 883 N -1.33 0.53 -1.69 3.97 5.02 -0.79 -4.84 118.16 119.02 3gjx n LYS 883 Ca 0.07 -0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 3gjx n LYS 883 Cb 0.15 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3gjx n LYS 883 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gjx s HIS 884 N -2.65 2.25 -0.02 2.13 3.76 0.15 -4.99 115.29 115.92 3gjx s HIS 884 Ca 0.22 1.56 -0.07 0.00 -0.15 0.00 0.00 55.06 56.62 3gjx s HIS 884 Cb 0.19 -3.44 -0.29 0.00 1.11 0.00 0.00 32.58 30.15 3gjx s HIS 884 CO 0.55 -2.35 0.76 1.79 -0.85 0.00 0.00 174.74 174.64 3gjx h THR 885 N 0.19 1.04 -2.33 1.30 1.35 -1.88 -3.42 112.91 109.16 3gjx h THR 885 Ca -0.49 -2.65 -0.57 0.00 -0.55 0.00 0.00 66.41 62.16 3gjx h THR 885 Cb 1.29 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 70.47 3gjx h THR 885 CO 0.52 0.83 1.33 -0.04 -0.25 0.00 0.00 175.52 177.92 3gjx s MET 886 N -2.60 3.50 0.41 4.72 -1.94 -1.26 -4.85 119.30 117.28 3gjx s MET 886 Ca -0.12 1.99 0.19 0.00 -1.71 0.00 0.00 55.69 56.04 3gjx s MET 886 Cb 0.06 -4.24 1.13 0.00 2.01 0.00 0.00 34.83 33.79 3gjx s MET 886 CO 0.86 -1.67 1.78 -0.09 -0.01 0.00 0.00 175.02 175.88 3gjx h ARG 887 N 12.95 0.36 -0.09 2.03 9.65 -1.99 -1.98 114.38 135.31 3gjx h ARG 887 Ca -0.40 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.45 3gjx h ARG 887 Cb 1.21 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3gjx h ARG 887 CO 0.97 0.24 0.03 -2.95 2.80 0.00 0.00 179.97 181.06 3gjx h ASN 888 N 0.37 0.13 0.04 -3.80 -0.00 -1.97 -2.92 115.58 107.43 3gjx h ASN 888 Ca 0.59 -0.20 -0.00 0.00 -0.00 0.00 0.00 56.30 56.69 3gjx h ASN 888 Cb 1.54 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.82 3gjx h ASN 888 CO -0.28 0.29 -0.02 0.58 -0.00 0.00 0.00 177.43 178.00 3gjx h VAL 889 N -0.05 0.99 -0.58 6.14 2.07 -1.70 -2.19 116.25 120.93 3gjx h VAL 889 Ca 0.03 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3gjx h VAL 889 Cb 0.21 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3gjx h VAL 889 CO -0.00 0.03 0.27 0.00 0.02 0.00 0.00 177.57 177.89 3gjx h ALA 890 N 0.84 0.76 0.00 1.67 0.00 -1.53 0.03 119.26 121.02 3gjx h ALA 890 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3gjx h ALA 890 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gjx h ALA 890 CO 0.01 -0.10 -0.40 0.38 0.00 0.00 0.00 179.25 179.14 3gjx h ASP 891 N 0.51 0.00 -0.37 0.00 3.04 -1.49 -0.86 116.42 117.25 3gjx h ASP 891 Ca 0.27 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.99 3gjx h ASP 891 Cb 0.24 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.51 3gjx h ASP 891 CO -0.22 0.40 -0.02 0.74 -2.04 0.00 0.00 179.24 178.11 3gjx h THR 892 N 0.00 1.24 0.00 1.15 2.02 -0.65 -1.71 112.91 114.96 3gjx h THR 892 Ca -0.00 -1.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.06 3gjx h THR 892 Cb 1.09 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3gjx h THR 892 CO 0.05 0.35 -0.50 1.23 0.37 0.00 0.00 175.52 177.02 3gjx h GLY 893 N 0.97 0.00 1.40 2.16 0.00 -0.28 -2.07 103.07 105.24 3gjx h GLY 893 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.21 3gjx h GLY 893 CO 0.02 0.00 -1.08 1.41 0.00 0.00 0.00 176.54 176.89 3gjx h LEU 894 N 0.00 0.70 0.87 3.11 3.38 -0.85 -2.59 115.31 119.94 3gjx h LEU 894 Ca -0.01 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 3gjx h LEU 894 Cb 0.90 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.45 3gjx h LEU 894 CO 0.07 1.41 -0.42 1.56 0.09 0.00 0.00 178.44 181.15 3gjx h GLN 895 N 0.26 -1.13 -0.80 1.13 4.20 -1.28 -0.72 115.11 116.77 3gjx h GLN 895 Ca -0.13 0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.82 3gjx h GLN 895 Cb 1.74 0.26 -0.15 0.00 0.30 0.00 0.00 27.48 29.62 3gjx h GLN 895 CO 0.20 -0.75 -0.20 0.82 -0.67 0.00 0.00 178.83 178.23 3gjx h ILE 896 N -1.25 0.20 -0.60 2.54 2.04 -1.45 0.47 117.51 119.46 3gjx h ILE 896 Ca -0.12 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3gjx h ILE 896 Cb 0.90 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3gjx h ILE 896 CO 0.20 0.00 0.29 0.25 0.00 0.00 0.00 178.15 178.89 3gjx h LEU 897 N 0.00 0.75 0.12 1.44 5.85 -1.41 0.40 115.31 122.46 3gjx h LEU 897 Ca 0.39 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3gjx h LEU 897 Cb 0.59 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3gjx h LEU 897 CO -0.83 0.64 -0.06 0.15 -0.34 0.00 0.00 178.44 178.01 3gjx h PHE 898 N 0.84 -0.15 -0.49 1.25 3.04 0.13 -1.80 116.94 119.76 3gjx h PHE 898 Ca 0.21 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 3gjx h PHE 898 Cb 0.08 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3gjx h PHE 898 CO 0.01 0.21 0.30 1.15 -2.02 0.00 0.00 178.31 177.95 3gjx h THR 899 N -0.52 1.14 -0.24 4.41 2.02 -0.19 -1.72 112.91 117.81 3gjx h THR 899 Ca -0.02 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 3gjx h THR 899 Cb 0.42 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3gjx h THR 899 CO 0.03 0.14 -0.31 0.25 0.37 0.00 0.00 175.52 176.00 3gjx h LEU 900 N 0.67 0.69 -0.55 2.58 6.46 -0.11 0.83 115.31 125.89 3gjx h LEU 900 Ca 0.18 -0.50 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 3gjx h LEU 900 Cb -0.03 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 3gjx h LEU 900 CO -0.03 1.06 0.36 -0.07 -0.62 0.00 0.00 178.44 179.13 3gjx h LEU 901 N 0.35 0.61 -0.80 2.25 3.38 -1.12 0.14 115.31 120.13 3gjx h LEU 901 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gjx h LEU 901 Cb 0.89 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3gjx h LEU 901 CO 0.07 0.44 0.44 1.56 0.09 0.00 0.00 178.44 181.04 3gjx h GLN 902 N 0.73 1.11 -0.79 1.13 4.20 -1.22 -2.27 115.11 118.01 3gjx h GLN 902 Ca 0.20 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3gjx h GLN 902 Cb -0.07 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.46 3gjx h GLN 902 CO -0.05 0.82 0.32 -0.91 -0.67 0.00 0.00 178.83 178.34 3gjx h ASN 903 N 1.11 1.07 -0.74 1.46 2.35 -0.19 -2.65 115.58 117.99 3gjx h ASN 903 Ca 0.28 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3gjx h ASN 903 Cb 0.03 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3gjx h ASN 903 CO -0.04 0.95 0.36 0.58 -1.65 0.00 0.00 177.43 177.62 3gjx h VAL 904 N 1.14 1.24 0.00 2.81 2.07 -0.39 -2.13 116.25 121.00 3gjx h VAL 904 Ca 0.26 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3gjx h VAL 904 Cb 0.20 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3gjx h VAL 904 CO -0.02 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3gjx n ALA 905 N -2.38 1.08 0.12 1.67 0.00 -0.89 0.14 120.51 120.25 3gjx n ALA 905 Ca 0.06 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.76 3gjx n ALA 905 Cb 0.13 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.34 3gjx n ALA 905 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gjx h GLN 906 N 0.00 0.00 -3.64 0.00 1.08 -1.40 -3.40 115.11 107.75 3gjx h GLN 906 Ca 0.00 0.00 -0.80 0.00 -1.45 0.00 0.00 58.65 56.40 3gjx h GLN 906 Cb 0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.18 3gjx h GLN 906 CO 0.00 0.07 0.34 -2.00 -0.95 0.00 0.00 178.83 176.29 3gjx s GLU 907 N -3.25 4.02 0.23 1.46 2.56 0.12 -4.91 118.70 118.93 3gjx s GLU 907 Ca 0.01 -3.00 -0.07 0.00 0.00 0.00 0.00 54.97 51.91 3gjx s GLU 907 Cb 0.08 -4.51 0.40 0.00 2.00 0.00 0.00 34.13 32.10 3gjx s GLU 907 CO 0.76 -1.26 1.70 1.05 -0.56 0.00 0.00 175.26 176.96 3gjx h GLU 908 N 6.99 0.30 0.00 4.30 4.11 -1.79 0.59 114.58 129.08 3gjx h GLU 908 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3gjx h GLU 908 Cb 0.92 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3gjx h GLU 908 CO 0.93 0.20 0.00 0.00 0.07 0.00 0.00 179.01 180.21 3gjx n ALA 909 N -2.60 -0.32 0.24 1.06 0.00 -1.26 -2.86 120.51 114.76 3gjx n ALA 909 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3gjx n ALA 909 Cb 0.40 0.18 0.60 0.00 0.00 0.00 0.00 19.45 20.62 3gjx n ALA 909 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gjx h ALA 910 N -1.65 1.34 -0.39 0.00 0.00 -1.90 -3.27 119.26 113.39 3gjx h ALA 910 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3gjx h ALA 910 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3gjx h ALA 910 CO 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.27 3gjx h ALA 911 N 1.81 0.06 -0.48 0.00 0.00 0.33 0.25 119.26 121.23 3gjx h ALA 911 Ca -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gjx h ALA 911 Cb 0.43 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gjx h ALA 911 CO 0.02 -0.58 0.15 1.96 0.00 0.00 0.00 179.25 180.80 3gjx h GLN 912 N -0.14 0.71 -0.00 0.00 1.08 -1.61 0.12 115.11 115.27 3gjx h GLN 912 Ca 0.19 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 3gjx h GLN 912 Cb 0.44 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3gjx h GLN 912 CO -0.48 0.62 -0.54 0.66 -0.95 0.00 0.00 178.83 178.15 3gjx h SER 913 N 0.70 0.01 0.15 1.46 4.64 -1.37 -0.77 113.55 118.36 3gjx h SER 913 Ca 0.16 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 3gjx h SER 913 Cb 0.21 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3gjx h SER 913 CO -0.01 0.55 -0.74 0.15 -0.87 0.00 0.00 176.83 175.91 3gjx h PHE 914 N 0.01 0.69 -0.17 4.77 3.57 0.99 -2.13 116.94 124.68 3gjx h PHE 914 Ca -0.00 -0.30 -0.21 0.00 3.53 0.00 0.00 57.97 60.98 3gjx h PHE 914 Cb 0.95 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3gjx h PHE 914 CO 0.00 1.08 -0.71 1.88 -2.23 0.00 0.00 178.31 178.33 3gjx h TYR 915 N 0.35 0.96 -0.07 0.41 0.99 -0.65 -0.60 116.97 118.35 3gjx h TYR 915 Ca -0.04 -0.40 0.01 0.00 2.00 0.00 0.00 58.73 60.30 3gjx h TYR 915 Cb 1.33 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 38.89 3gjx h TYR 915 CO 0.06 1.22 -0.01 1.96 -0.00 0.00 0.00 178.16 181.38 3gjx h GLN 916 N 0.51 0.01 0.08 4.88 4.20 -1.15 -2.68 115.11 120.97 3gjx h GLN 916 Ca -0.03 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.42 3gjx h GLN 916 Cb 1.33 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.11 3gjx h GLN 916 CO 0.14 0.01 -1.13 1.15 -0.67 0.00 0.00 178.83 178.33 3gjx h THR 917 N 0.01 1.45 0.00 -0.54 2.02 -1.39 -3.42 112.91 111.05 3gjx h THR 917 Ca 0.03 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.42 3gjx h THR 917 Cb 0.04 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3gjx h THR 917 CO -0.06 0.82 -0.96 -1.22 0.37 0.00 0.00 175.52 174.47 3gjx n TYR 918 N -3.63 0.00 0.05 3.16 4.02 -0.24 -4.78 117.16 115.75 3gjx n TYR 918 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.75 3gjx n TYR 918 Cb 0.95 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.23 3gjx n TYR 918 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3gjx h PHE 919 N 0.00 -0.59 -0.61 -0.72 3.57 -1.54 0.38 116.94 117.43 3gjx h PHE 919 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 3gjx h PHE 919 Cb 0.18 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 3gjx h PHE 919 CO 0.00 -0.23 0.17 0.00 -2.23 0.00 0.00 178.31 176.01 3gjx h ASP 921 N 0.31 -1.39 -1.04 0.00 3.32 -1.67 0.27 116.42 116.21 3gjx h ASP 921 Ca 0.32 0.18 0.27 0.00 0.02 0.00 0.00 57.03 57.82 3gjx h ASP 921 Cb 0.46 0.57 -0.11 0.00 0.22 0.00 0.00 39.33 40.46 3gjx h ASP 921 CO -0.38 -0.31 0.65 0.40 -1.72 0.00 0.00 179.24 177.88 3gjx h ILE 922 N -0.32 0.49 0.30 0.35 2.04 -0.50 -1.11 117.51 118.76 3gjx h ILE 922 Ca 0.05 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3gjx h ILE 922 Cb 0.46 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3gjx h ILE 922 CO -0.43 0.08 -0.15 -0.07 0.00 0.00 0.00 178.15 177.58 3gjx h LEU 923 N 0.44 -0.34 -0.61 1.44 3.38 -0.23 -1.67 115.31 117.71 3gjx h LEU 923 Ca 0.64 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.67 3gjx h LEU 923 Cb 1.49 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 42.24 3gjx h LEU 923 CO -0.39 -0.16 0.10 1.56 0.09 0.00 0.00 178.44 179.63 3gjx h GLN 924 N -0.51 0.21 -0.61 1.13 4.20 0.04 -0.68 115.11 118.90 3gjx h GLN 924 Ca -0.04 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3gjx h GLN 924 Cb 0.38 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3gjx h GLN 924 CO 0.07 0.14 0.16 0.45 -0.67 0.00 0.00 178.83 178.98 3gjx h HIS 925 N 0.22 0.98 -0.33 2.96 3.86 -1.22 -1.14 115.15 120.48 3gjx h HIS 925 Ca 0.32 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.33 3gjx h HIS 925 Cb 0.50 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3gjx h HIS 925 CO -0.28 0.80 -0.22 0.82 0.86 0.00 0.00 177.93 179.91 3gjx h ILE 926 N 0.91 1.29 -0.82 2.45 2.04 -0.64 -3.11 117.51 119.64 3gjx h ILE 926 Ca 0.20 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 3gjx h ILE 926 Cb 0.30 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3gjx h ILE 926 CO -0.00 0.44 0.38 -0.26 0.00 0.00 0.00 178.15 178.71 3gjx h PHE 927 N 0.50 1.19 -0.32 1.37 -1.00 -0.88 0.12 116.94 117.91 3gjx h PHE 927 Ca 0.06 -0.06 0.09 0.00 2.81 0.00 0.00 57.97 60.88 3gjx h PHE 927 Cb 0.78 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 3gjx h PHE 927 CO 0.06 0.87 0.32 1.03 -1.61 0.00 0.00 178.31 178.98 3gjx h SER 928 N 1.16 0.00 0.17 2.17 0.87 -1.17 -1.16 113.55 115.60 3gjx h SER 928 Ca 0.28 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.49 3gjx h SER 928 Cb 0.13 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 3gjx h SER 928 CO -0.03 0.00 -2.10 0.52 -0.53 0.00 0.00 176.83 174.68 3gjx n VAL 929 N -3.89 1.59 0.21 2.23 0.31 -0.58 -3.94 118.33 114.26 3gjx n VAL 929 Ca 0.05 -0.72 -0.15 0.00 -0.01 0.00 0.00 64.34 63.51 3gjx n VAL 929 Cb 0.48 -1.21 -0.07 0.00 -0.91 0.00 0.00 33.84 32.12 3gjx n VAL 929 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3gjx h VAL 930 N 0.02 0.55 0.00 2.52 2.07 0.40 -2.12 116.25 119.68 3gjx h VAL 930 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3gjx h VAL 930 Cb 2.04 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3gjx h VAL 930 CO 0.04 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.98 3gjx n THR 931 N -5.34 0.00 -3.50 2.57 -2.24 -0.77 -4.62 114.28 100.38 3gjx n THR 931 Ca -0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3gjx n THR 931 Cb 0.25 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 3gjx n THR 931 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gjx s ASP 932 N -1.60 6.09 0.00 3.42 -1.08 -0.80 -4.95 116.67 117.75 3gjx s ASP 932 Ca 0.16 -0.59 0.04 0.00 -0.52 0.00 0.00 52.55 51.65 3gjx s ASP 932 Cb 0.07 -2.15 0.25 0.00 -1.46 0.00 0.00 42.92 39.63 3gjx s ASP 932 CO 0.12 -0.32 0.62 0.35 0.52 0.00 0.00 175.17 176.46 3gjx n THR 933 N 5.14 0.00 -0.58 1.71 -2.24 -1.26 -1.60 114.28 115.44 3gjx n THR 933 Ca -0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3gjx n THR 933 Cb 0.49 -0.53 0.33 0.00 -2.10 0.00 0.00 70.33 68.51 3gjx n THR 933 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gjx n SER 934 N -0.70 4.48 -0.14 3.42 7.64 -1.26 -4.41 113.62 122.64 3gjx n SER 934 Ca 0.03 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.52 3gjx n SER 934 Cb 0.01 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3gjx n SER 934 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gjx n HIS 935 N 1.03 0.00 0.10 1.43 8.25 -0.63 -4.84 115.22 120.56 3gjx n HIS 935 Ca 0.24 -0.05 0.06 0.00 -0.26 0.00 0.00 57.72 57.72 3gjx n HIS 935 Cb 0.82 -0.02 0.32 0.00 1.12 0.00 0.00 29.99 32.24 3gjx n HIS 935 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gjx n THR 936 N -0.06 1.27 1.69 1.59 -2.24 -1.26 -0.26 114.28 115.02 3gjx n THR 936 Ca 0.00 0.65 0.15 0.00 -2.27 0.00 0.00 64.05 62.58 3gjx n THR 936 Cb 0.55 -1.65 0.84 0.00 -2.10 0.00 0.00 70.33 67.97 3gjx n THR 936 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx n ALA 937 N -1.62 2.57 -0.19 6.98 0.00 -1.26 -2.85 120.51 124.15 3gjx n ALA 937 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.29 3gjx n ALA 937 Cb 0.09 -1.49 0.08 0.00 0.00 0.00 0.00 19.45 18.12 3gjx n ALA 937 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gjx n GLY 938 N 1.08 3.09 0.16 0.00 0.00 0.64 -4.77 105.19 105.39 3gjx n GLY 938 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3gjx n GLY 938 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gjx h LEU 939 N 0.84 -0.06 -0.86 0.99 5.85 -1.64 0.11 115.31 120.54 3gjx h LEU 939 Ca 0.00 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3gjx h LEU 939 Cb 0.67 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 3gjx h LEU 939 CO 0.01 0.00 0.48 0.74 -0.34 0.00 0.00 178.44 179.33 3gjx h THR 940 N 0.15 0.82 0.12 1.05 2.02 -1.86 -1.67 112.91 113.54 3gjx h THR 940 Ca 0.17 -0.25 -0.27 0.00 0.77 0.00 0.00 66.41 66.83 3gjx h THR 940 Cb 0.22 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3gjx h THR 940 CO -0.26 0.13 -1.25 0.24 0.37 0.00 0.00 175.52 174.76 3gjx h MET 941 N 0.73 0.26 0.15 6.66 2.86 -1.75 -2.35 114.93 121.49 3gjx h MET 941 Ca 0.44 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3gjx h MET 941 Cb 0.53 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3gjx h MET 941 CO -0.31 1.21 -0.27 0.45 1.06 0.00 0.00 176.91 179.05 3gjx h HIS 942 N 0.07 -0.71 -0.54 -0.22 -0.00 -0.34 0.17 115.15 113.58 3gjx h HIS 942 Ca -0.13 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.16 3gjx h HIS 942 Cb 1.97 0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 29.65 3gjx h HIS 942 CO 0.06 -0.37 -0.01 0.00 -0.00 0.00 0.00 177.93 177.61 3gjx h ALA 943 N 0.21 0.96 -0.69 2.45 0.00 -1.43 0.06 119.26 120.83 3gjx h ALA 943 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gjx h ALA 943 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3gjx h ALA 943 CO -0.13 0.63 0.46 1.03 0.00 0.00 0.00 179.25 181.23 3gjx h SER 944 N 0.86 0.76 0.19 0.00 0.87 -1.13 0.74 113.55 115.84 3gjx h SER 944 Ca 0.16 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.42 3gjx h SER 944 Cb 0.52 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3gjx h SER 944 CO 0.03 0.54 -1.27 0.40 -0.53 0.00 0.00 176.83 175.99 3gjx h ILE 945 N 0.89 1.29 -0.07 2.23 2.04 -0.27 -3.13 117.51 120.49 3gjx h ILE 945 Ca 0.26 -2.59 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 3gjx h ILE 945 Cb -0.03 3.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3gjx h ILE 945 CO -0.07 0.77 -0.00 -0.07 0.00 0.00 0.00 178.15 178.78 3gjx h LEU 946 N -0.09 0.13 -0.67 1.44 4.07 -0.86 -1.94 115.31 117.39 3gjx h LEU 946 Ca -0.23 -0.32 0.12 0.00 0.08 0.00 0.00 57.88 57.53 3gjx h LEU 946 Cb 1.93 -0.03 -0.13 0.00 1.08 0.00 0.00 40.66 43.51 3gjx h LEU 946 CO 0.20 0.42 -0.29 0.00 -1.08 0.00 0.00 178.44 177.69 3gjx h ALA 947 N 0.71 0.15 -0.31 1.53 0.00 0.37 -0.19 119.26 121.52 3gjx h ALA 947 Ca 0.02 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gjx h ALA 947 Cb 0.36 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3gjx h ALA 947 CO 0.00 -0.58 0.18 -0.92 0.00 0.00 0.00 179.25 177.93 3gjx h TYR 948 N -0.10 0.43 -0.12 0.00 3.20 -1.48 -0.43 116.97 118.47 3gjx h TYR 948 Ca 0.28 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3gjx h TYR 948 Cb 0.55 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3gjx h TYR 948 CO -0.64 0.34 -0.24 0.52 -1.64 0.00 0.00 178.16 176.51 3gjx h MET 949 N 0.39 0.20 0.09 1.82 2.86 -0.47 0.39 114.93 120.21 3gjx h MET 949 Ca 0.11 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.46 3gjx h MET 949 Cb 0.05 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.72 3gjx h MET 949 CO -0.02 0.43 -0.96 0.74 1.06 0.00 0.00 176.91 178.16 3gjx h PHE 950 N 0.19 0.80 -0.27 -0.22 -1.00 -0.84 -2.68 116.94 112.92 3gjx h PHE 950 Ca 0.03 -0.50 0.08 0.00 2.81 0.00 0.00 57.97 60.39 3gjx h PHE 950 Cb 0.53 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3gjx h PHE 950 CO 0.01 1.35 0.24 -0.97 -1.61 0.00 0.00 178.31 177.32 3gjx h ASN 951 N 0.02 0.00 1.20 2.17 -0.73 -0.84 0.61 115.58 118.01 3gjx h ASN 951 Ca -0.15 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 57.94 3gjx h ASN 951 Cb 1.68 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.26 3gjx h ASN 951 CO 0.18 0.00 -0.38 0.25 -0.37 0.00 0.00 177.43 177.11 3gjx h LEU 952 N 0.00 0.00 -1.66 0.34 6.46 -0.63 -3.06 115.31 116.77 3gjx h LEU 952 Ca 0.13 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3gjx h LEU 952 Cb 0.60 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 3gjx h LEU 952 CO -0.00 0.38 -0.11 0.58 -0.62 0.00 0.00 178.44 178.67 3gjx h VAL 953 N 0.00 0.35 0.00 1.05 2.07 -0.55 0.11 116.25 119.28 3gjx h VAL 953 Ca -0.00 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3gjx h VAL 953 Cb 1.09 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3gjx h VAL 953 CO 0.05 0.11 -0.09 -0.33 0.02 0.00 0.00 177.57 177.32 3gjx h GLU 954 N 0.00 0.00 0.00 1.57 4.39 -1.56 -3.41 114.58 115.57 3gjx h GLU 954 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gjx h GLU 954 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3gjx h GLU 954 CO 0.01 0.09 0.00 -1.91 -1.16 0.00 0.00 179.01 176.04 3gjx n GLU 955 N -3.67 0.00 -0.11 2.33 2.13 -1.18 -5.02 120.64 115.11 3gjx n GLU 955 Ca -0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.71 3gjx n GLU 955 Cb 0.20 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.90 3gjx n GLU 955 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3gjx h GLY 956 N 0.00 0.54 -6.87 8.31 0.00 -1.20 -3.40 103.07 100.45 3gjx h GLY 956 Ca 0.00 -0.26 -0.59 0.00 0.00 0.00 0.00 47.33 46.48 3gjx h GLY 956 CO 0.00 0.25 0.69 1.25 0.00 0.00 0.00 176.54 178.73 3gjx s LYS 957 N -5.75 3.57 0.10 4.80 2.20 -1.25 -4.90 119.74 118.52 3gjx s LYS 957 Ca -0.13 0.25 0.26 0.00 -0.36 0.00 0.00 55.97 55.99 3gjx s LYS 957 Cb 0.10 -3.93 0.99 0.00 -1.51 0.00 0.00 37.83 33.47 3gjx s LYS 957 CO 0.73 -1.30 1.80 0.44 -0.36 0.00 0.00 175.35 176.67 3gjx n ILE 958 N 6.55 0.41 -4.33 5.43 -5.35 -1.26 -4.91 119.36 115.89 3gjx n ILE 958 Ca 0.08 -0.05 -0.16 0.00 -0.27 0.00 0.00 62.75 62.34 3gjx n ILE 958 Cb 0.49 -0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 37.70 3gjx n ILE 958 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gjx n SER 959 N -1.85 2.65 -4.78 7.28 3.41 -1.26 -5.13 113.62 113.95 3gjx n SER 959 Ca 0.06 -2.12 -0.36 0.00 -0.26 0.00 0.00 58.87 56.18 3gjx n SER 959 Cb 0.34 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 3gjx n SER 959 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gjx s THR 960 N -1.89 5.32 -0.18 6.66 2.01 -1.26 -4.86 115.64 121.44 3gjx s THR 960 Ca 0.01 0.46 0.13 0.00 0.31 0.00 0.00 61.69 62.61 3gjx s THR 960 Cb -0.00 -3.57 -0.20 0.00 0.01 0.00 0.00 72.50 68.74 3gjx s THR 960 CO 0.01 0.47 0.02 -0.81 -0.69 0.00 0.00 174.62 173.62 3gjx n PRO 961 N 2.98 1.04 0.09 4.92 -0.05 -1.26 -4.58 135.00 138.14 3gjx n PRO 961 Ca -0.15 0.01 0.11 0.00 -0.05 0.00 0.00 63.50 63.43 3gjx n PRO 961 Cb 0.53 -1.45 -0.01 0.00 -0.05 0.00 0.00 33.50 32.52 3gjx n PRO 961 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 3gjx n LEU 962 N -2.73 0.78 0.00 1.53 7.94 -1.26 -4.99 117.00 118.26 3gjx n LEU 962 Ca -0.30 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3gjx n LEU 962 Cb 1.05 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.93 3gjx n LEU 962 CO 0.35 -0.16 0.00 0.59 -1.11 0.00 0.00 177.39 177.05 3gjx n ASN 963 N -2.60 0.00 -2.59 1.96 3.02 -1.26 -5.09 115.26 108.70 3gjx n ASN 963 Ca -0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3gjx n ASN 963 Cb 0.54 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.72 3gjx n ASN 963 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3gjx n PRO 964 N -2.00 -1.18 0.00 3.52 -0.02 -1.26 -5.06 135.00 128.99 3gjx n PRO 964 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3gjx n PRO 964 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 3gjx n PRO 964 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gjx n GLY 965 N 2.00 0.64 0.16 -1.23 0.00 -1.26 -4.84 105.19 100.67 3gjx n GLY 965 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3gjx n GLY 965 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gjx h ASN 966 N 0.00 0.49 0.00 1.61 2.35 -2.08 -3.19 115.58 114.76 3gjx h ASN 966 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3gjx h ASN 966 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3gjx h ASN 966 CO 0.00 0.75 0.00 -0.81 -1.65 0.00 0.00 177.43 175.72 3gjx n PRO 967 N -4.54 0.70 -2.78 0.81 -0.04 -1.26 -4.68 135.00 123.21 3gjx n PRO 967 Ca -0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 3gjx n PRO 967 Cb 0.31 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3gjx n PRO 967 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gjx s VAL 968 N -0.21 4.34 -0.42 0.52 1.01 -1.21 -4.96 120.40 119.47 3gjx s VAL 968 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3gjx s VAL 968 Cb 0.00 -4.86 0.09 0.00 0.00 0.00 0.00 36.38 31.61 3gjx s VAL 968 CO 0.00 -1.66 0.26 0.20 0.00 0.00 0.00 175.10 173.91 3gjx s ASN 969 N 4.05 5.59 0.58 3.32 0.01 -1.26 -4.95 114.94 122.29 3gjx s ASN 969 Ca 0.35 -1.62 0.29 0.00 -0.71 0.00 0.00 52.86 51.16 3gjx s ASN 969 Cb -0.06 -1.97 1.47 0.00 0.41 0.00 0.00 41.25 41.11 3gjx s ASN 969 CO -0.04 -0.56 1.90 0.78 -1.51 0.00 0.00 177.10 177.67 3gjx h ASN 970 N 8.37 0.00 -0.20 -1.22 2.35 -1.91 0.48 115.58 123.45 3gjx h ASN 970 Ca -0.22 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3gjx h ASN 970 Cb 1.08 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.38 3gjx h ASN 970 CO 0.76 0.00 -0.28 -0.61 -1.65 0.00 0.00 177.43 175.65 3gjx h GLN 971 N 0.00 -0.30 -0.41 0.81 4.15 -1.94 0.24 115.11 117.66 3gjx h GLN 971 Ca 0.24 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.74 3gjx h GLN 971 Cb 1.22 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 3gjx h GLN 971 CO -0.00 -0.20 0.07 0.52 -1.93 0.00 0.00 178.83 177.28 3gjx h MET 972 N -0.31 0.19 -0.05 1.69 2.86 -1.33 0.52 114.93 118.50 3gjx h MET 972 Ca 0.12 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3gjx h MET 972 Cb 0.50 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 3gjx h MET 972 CO -0.38 0.12 -0.39 0.35 1.06 0.00 0.00 176.91 177.67 3gjx h PHE 973 N 0.19 -1.09 -0.44 -0.22 3.04 -0.95 0.93 116.94 118.41 3gjx h PHE 973 Ca 0.20 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 3gjx h PHE 973 Cb 0.25 0.49 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 3gjx h PHE 973 CO -0.21 -0.46 0.13 0.82 -2.02 0.00 0.00 178.31 176.56 3gjx h ILE 974 N -0.51 1.22 -0.86 1.41 2.04 -0.42 0.62 117.51 121.02 3gjx h ILE 974 Ca 0.06 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.31 3gjx h ILE 974 Cb 0.62 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3gjx h ILE 974 CO -0.33 0.27 0.56 -0.61 0.00 0.00 0.00 178.15 178.03 3gjx h GLN 975 N 0.57 0.65 0.01 2.37 -0.00 -0.42 0.31 115.11 118.59 3gjx h GLN 975 Ca 0.14 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 3gjx h GLN 975 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.61 3gjx h GLN 975 CO -0.00 0.43 -0.22 0.22 0.00 0.00 0.00 178.83 179.25 3gjx h ASP 976 N 0.67 0.05 -0.96 -0.69 1.82 -0.34 -2.90 116.42 114.06 3gjx h ASP 976 Ca 0.42 -0.94 0.18 0.00 -0.39 0.00 0.00 57.03 56.29 3gjx h ASP 976 Cb 0.68 -0.02 -0.09 0.00 0.68 0.00 0.00 39.33 40.59 3gjx h ASP 976 CO -0.18 1.09 0.61 0.22 -1.61 0.00 0.00 179.24 179.37 3gjx h TYR 977 N -0.94 0.90 0.07 0.28 3.20 0.85 -1.04 116.97 120.29 3gjx h TYR 977 Ca -0.05 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 3gjx h TYR 977 Cb 1.10 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 39.11 3gjx h TYR 977 CO 0.25 0.25 -0.58 0.28 -1.64 0.00 0.00 178.16 176.72 3gjx h VAL 978 N 0.69 1.53 0.11 1.81 2.07 -0.51 -1.79 116.25 120.16 3gjx h VAL 978 Ca 0.52 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.74 3gjx h VAL 978 Cb 0.89 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 3gjx h VAL 978 CO -0.28 0.65 -0.39 0.00 0.02 0.00 0.00 177.57 177.57 3gjx h ALA 979 N 0.16 -0.67 -0.78 1.67 0.00 -1.28 0.92 119.26 119.28 3gjx h ALA 979 Ca -0.09 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3gjx h ALA 979 Cb 1.39 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 3gjx h ALA 979 CO 0.11 -0.94 0.53 -0.97 0.00 0.00 0.00 179.25 177.98 3gjx h ASN 980 N -0.61 0.30 0.44 0.00 -1.24 -1.29 0.33 115.58 113.51 3gjx h ASN 980 Ca 0.03 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 3gjx h ASN 980 Cb 0.64 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3gjx h ASN 980 CO -0.23 0.14 -0.21 0.25 -1.29 0.00 0.00 177.43 176.09 3gjx h LEU 981 N 0.31 -0.50 -1.87 0.34 5.85 -0.24 -2.62 115.31 116.59 3gjx h LEU 981 Ca 0.39 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 3gjx h LEU 981 Cb 1.05 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3gjx h LEU 981 CO -0.11 -0.23 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.57 3gjx h LEU 982 N -0.75 0.00 0.31 2.25 3.38 0.21 -2.95 115.31 117.76 3gjx h LEU 982 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gjx h LEU 982 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3gjx h LEU 982 CO 0.10 0.12 -0.15 0.50 0.09 0.00 0.00 178.44 179.10 3gjx h LYS 983 N 0.00 -0.40 0.00 1.13 3.64 -0.05 0.77 116.57 121.65 3gjx h LYS 983 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3gjx h LYS 983 Cb 0.36 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gjx h LYS 983 CO 0.02 -0.27 -0.05 0.66 -2.27 0.00 0.00 179.45 177.54 3gjx h SER 984 N -0.53 0.00 0.33 4.20 4.64 -1.52 -2.05 113.55 118.63 3gjx h SER 984 Ca -0.04 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.95 3gjx h SER 984 Cb 0.32 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3gjx h SER 984 CO 0.07 0.05 -1.47 0.00 -0.87 0.00 0.00 176.83 174.61 3gjx h ALA 985 N 1.95 -0.07 -2.46 5.18 0.00 -1.51 -3.40 119.26 118.95 3gjx h ALA 985 Ca -0.00 -0.90 -0.59 0.00 0.00 0.00 0.00 54.91 53.41 3gjx h ALA 985 Cb 0.28 0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.85 3gjx h ALA 985 CO 0.01 0.80 -0.81 1.19 0.00 0.00 0.00 179.25 180.43 3gjx n PHE 986 N -3.66 1.32 0.16 0.00 3.01 0.26 -4.97 117.46 113.58 3gjx n PHE 986 Ca -0.16 -3.82 0.10 0.00 1.01 0.00 0.00 57.45 54.57 3gjx n PHE 986 Cb 1.09 -0.28 0.61 0.00 -0.01 0.00 0.00 39.48 40.88 3gjx n PHE 986 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gjx h PRO 987 N 4.93 0.10 0.00 -1.08 0.13 -1.61 -2.51 132.00 131.95 3gjx h PRO 987 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gjx h PRO 987 Cb 0.81 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3gjx h PRO 987 CO 0.58 0.06 0.00 1.12 -0.23 0.00 0.00 178.00 179.54 3gjx h HIS 988 N 0.10 0.00 -3.32 1.56 2.07 -1.93 -3.42 115.15 110.21 3gjx h HIS 988 Ca 0.08 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.07 3gjx h HIS 988 Cb 0.19 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.17 3gjx h HIS 988 CO -0.00 0.00 0.54 -0.51 -3.07 0.00 0.00 177.93 174.89 3gjx s LEU 989 N -5.81 4.41 0.55 6.12 1.43 -0.95 -4.44 118.68 119.99 3gjx s LEU 989 Ca -0.02 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 3gjx s LEU 989 Cb 0.10 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3gjx s LEU 989 CO 0.43 -0.40 1.07 0.00 0.23 0.00 0.00 176.35 177.67 3gjx s GLN 990 N 0.55 3.46 0.36 1.70 -2.07 -1.26 -4.91 119.66 117.49 3gjx s GLN 990 Ca 0.56 1.37 0.14 0.00 -1.82 0.00 0.00 55.36 55.61 3gjx s GLN 990 Cb -0.30 -2.04 0.97 0.00 -1.09 0.00 0.00 33.01 30.55 3gjx s GLN 990 CO 0.32 -0.72 1.78 -0.44 -1.32 0.00 0.00 175.29 174.91 3gjx h ASP 991 N 0.99 0.57 -0.52 12.60 3.32 -1.95 -1.39 116.42 130.03 3gjx h ASP 991 Ca -0.49 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3gjx h ASP 991 Cb 1.23 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3gjx h ASP 991 CO 0.58 0.16 0.25 0.00 -1.72 0.00 0.00 179.24 178.51 3gjx h ALA 992 N 1.64 0.68 0.15 3.45 0.00 -1.98 0.20 119.26 123.39 3gjx h ALA 992 Ca 0.57 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.38 3gjx h ALA 992 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3gjx h ALA 992 CO -0.32 0.24 -0.27 1.96 0.00 0.00 0.00 179.25 180.86 3gjx h GLN 993 N 0.70 -0.48 0.23 0.00 4.20 -1.63 0.53 115.11 118.66 3gjx h GLN 993 Ca 0.18 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.93 3gjx h GLN 993 Cb 0.11 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3gjx h GLN 993 CO -0.02 -0.32 -0.27 0.28 -0.67 0.00 0.00 178.83 177.82 3gjx h VAL 994 N -0.50 0.42 -0.58 -0.54 2.07 -1.34 -0.29 116.25 115.49 3gjx h VAL 994 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3gjx h VAL 994 Cb 0.51 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3gjx h VAL 994 CO -0.14 0.00 0.39 0.50 0.02 0.00 0.00 177.57 178.34 3gjx h LYS 995 N -0.55 0.59 -0.31 1.57 3.64 -0.53 0.11 116.57 121.09 3gjx h LYS 995 Ca 0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 3gjx h LYS 995 Cb 0.52 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3gjx h LYS 995 CO -0.08 0.39 -0.52 1.25 -2.27 0.00 0.00 179.45 178.22 3gjx h LEU 996 N 0.61 0.98 -0.08 5.20 5.85 -0.45 -2.47 115.31 124.95 3gjx h LEU 996 Ca 0.24 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3gjx h LEU 996 Cb 0.20 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3gjx h LEU 996 CO -0.07 1.31 -0.09 0.15 -0.34 0.00 0.00 178.44 179.40 3gjx h PHE 997 N 0.69 0.24 -0.26 1.25 3.57 0.14 -2.44 116.94 120.13 3gjx h PHE 997 Ca 0.02 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 3gjx h PHE 997 Cb 1.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3gjx h PHE 997 CO 0.07 0.65 -0.19 0.28 -2.23 0.00 0.00 178.31 176.89 3gjx h VAL 998 N -0.25 1.24 -0.51 1.41 2.07 -0.92 -2.13 116.25 117.17 3gjx h VAL 998 Ca 0.01 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3gjx h VAL 998 Cb 0.62 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3gjx h VAL 998 CO 0.02 0.36 0.07 0.00 0.02 0.00 0.00 177.57 178.04 3gjx h THR 999 N 0.42 1.25 0.00 2.57 1.03 -1.45 -2.84 112.91 113.89 3gjx h THR 999 Ca 0.07 -0.97 -0.04 0.00 -0.01 0.00 0.00 66.41 65.46 3gjx h THR 999 Cb 0.57 0.89 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 3gjx h THR 999 CO 0.04 0.35 -0.20 1.23 -0.01 0.00 0.00 175.52 176.92 3gjx h GLY 1000N 0.74 0.00 0.78 2.99 0.00 -0.94 -1.59 103.07 105.04 3gjx h GLY 1000Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.60 3gjx h GLY 1000CO 0.01 0.00 0.52 1.41 0.00 0.00 0.00 176.54 178.48 3gjx h LEU 1001N 0.00 0.60 0.24 3.11 3.38 -1.14 -0.41 115.31 121.09 3gjx h LEU 1001Ca -0.00 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 3gjx h LEU 1001Cb 0.47 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.15 3gjx h LEU 1001CO 0.03 0.34 -1.46 -0.26 0.09 0.00 0.00 178.44 177.18 3gjx h PHE 1002N 0.65 0.97 -0.31 1.13 -1.00 -1.37 -3.10 116.94 113.92 3gjx h PHE 1002Ca 0.37 -0.70 -0.14 0.00 2.81 0.00 0.00 57.97 60.31 3gjx h PHE 1002Cb 0.56 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 3gjx h PHE 1002CO -0.00 1.55 -0.36 0.77 -1.61 0.00 0.00 178.31 178.66 3gjx h SER 1003N 0.15 0.86 -0.06 2.17 0.02 -1.22 -3.12 113.55 112.35 3gjx h SER 1003Ca -0.25 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 3gjx h SER 1003Cb 2.15 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.45 3gjx h SER 1003CO 0.27 1.17 0.00 0.18 -1.14 0.00 0.00 176.83 177.31 3gjx n LEU 1004N -4.16 1.80 0.00 5.07 4.77 -0.20 -4.24 117.00 120.03 3gjx n LEU 1004Ca -0.04 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3gjx n LEU 1004Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3gjx n LEU 1004CO 0.47 0.32 0.32 -0.46 -1.33 0.00 0.00 177.39 176.70 3gjx n ASN 1005N 0.40 0.00 -0.01 -1.43 0.23 -1.17 -0.24 115.26 113.05 3gjx n ASN 1005Ca 0.18 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 3gjx n ASN 1005Cb 0.39 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3gjx n ASN 1005CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 3gjx n GLN 1006N -1.12 2.10 -3.92 -3.83 7.27 -1.26 -4.50 117.38 112.12 3gjx n GLN 1006Ca 0.00 -0.32 -0.30 0.00 0.07 0.00 0.00 57.00 56.46 3gjx n GLN 1006Cb 0.02 -0.81 -0.14 0.00 2.41 0.00 0.00 30.24 31.72 3gjx n GLN 1006CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3gjx s ASP 1007N -0.41 4.35 0.13 1.69 3.68 0.67 -5.01 116.67 121.77 3gjx s ASP 1007Ca 0.00 -3.17 -0.25 0.00 2.13 0.00 0.00 52.55 51.27 3gjx s ASP 1007Cb 0.00 -1.59 -0.03 0.00 -1.45 0.00 0.00 42.92 39.85 3gjx s ASP 1007CO 0.01 -0.20 1.63 -0.29 0.13 0.00 0.00 175.17 176.44 3gjx h ILE 1008N 5.25 0.39 -0.80 4.11 2.10 -1.89 0.11 117.51 126.78 3gjx h ILE 1008Ca -0.03 0.00 0.20 0.00 1.08 0.00 0.00 64.86 66.11 3gjx h ILE 1008Cb 0.86 0.39 -0.05 0.00 -1.09 0.00 0.00 36.82 36.94 3gjx h ILE 1008CO 0.68 0.00 0.55 -0.65 -1.08 0.00 0.00 178.15 177.65 3gjx h PRO 1009N -0.36 0.21 -0.16 2.19 0.11 -1.95 0.83 132.00 132.88 3gjx h PRO 1009Ca 0.09 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 3gjx h PRO 1009Cb 0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3gjx h PRO 1009CO -0.29 0.14 -0.17 0.00 -0.21 0.00 0.00 178.00 177.47 3gjx h ALA 1010N 1.63 0.24 -0.63 -0.75 0.00 -1.43 -2.92 119.26 115.39 3gjx h ALA 1010Ca 0.40 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3gjx h ALA 1010Cb 1.23 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3gjx h ALA 1010CO -0.09 0.14 0.11 0.35 0.00 0.00 0.00 179.25 179.77 3gjx h PHE 1011N 0.04 0.16 0.30 0.00 3.57 0.29 0.22 116.94 121.52 3gjx h PHE 1011Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3gjx h PHE 1011Cb 0.71 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3gjx h PHE 1011CO 0.08 -0.08 -0.30 0.87 -2.23 0.00 0.00 178.31 176.66 3gjx h LYS 1012N 0.23 -0.60 -0.79 1.11 1.57 -0.46 0.09 116.57 117.72 3gjx h LYS 1012Ca 0.34 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.25 3gjx h LYS 1012Cb 0.53 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 3gjx h LYS 1012CO -0.46 -0.40 0.52 0.93 -0.57 0.00 0.00 179.45 179.47 3gjx h GLU 1013N -0.63 0.70 -0.61 3.15 4.39 -1.17 0.13 114.58 120.55 3gjx h GLU 1013Ca -0.01 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3gjx h GLU 1013Cb 0.57 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3gjx h GLU 1013CO -0.06 0.47 0.11 1.25 -1.16 0.00 0.00 179.01 179.61 3gjx h HIS 1014N 0.73 1.08 -0.68 4.33 2.76 -0.12 0.15 115.15 123.38 3gjx h HIS 1014Ca 0.36 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3gjx h HIS 1014Cb 0.44 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3gjx h HIS 1014CO -0.00 0.92 0.29 -0.07 -1.30 0.00 0.00 177.93 177.77 3gjx h LEU 1015N 0.92 0.93 -0.67 0.26 3.38 0.25 -2.74 115.31 117.64 3gjx h LEU 1015Ca 0.19 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gjx h LEU 1015Cb 0.42 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3gjx h LEU 1015CO 0.01 0.83 0.43 -0.09 0.09 0.00 0.00 178.44 179.71 3gjx h ARG 1016N 0.97 0.84 -0.81 1.13 9.65 0.05 -1.79 114.38 124.42 3gjx h ARG 1016Ca 0.23 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.17 3gjx h ARG 1016Cb 0.18 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.49 3gjx h ARG 1016CO -0.02 0.56 0.44 -0.44 2.80 0.00 0.00 179.97 183.31 3gjx h ASP 1017N 0.87 0.61 -0.56 -3.80 5.19 -0.52 -2.03 116.42 116.17 3gjx h ASP 1017Ca 0.26 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.64 3gjx h ASP 1017Cb -0.05 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3gjx h ASP 1017CO -0.07 0.33 0.05 0.15 -3.12 0.00 0.00 179.24 176.57 3gjx h PHE 1018N 0.72 1.06 0.00 4.55 3.57 -1.05 -2.50 116.94 123.29 3gjx h PHE 1018Ca 0.40 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3gjx h PHE 1018Cb 0.43 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3gjx h PHE 1018CO -0.08 0.93 -0.31 1.25 -2.23 0.00 0.00 178.31 177.87 3gjx h LEU 1019N 0.93 0.00 -0.10 0.59 5.85 -0.92 -1.61 115.31 120.04 3gjx h LEU 1019Ca 0.18 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3gjx h LEU 1019Cb 0.47 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3gjx h LEU 1019CO 0.02 0.31 -0.13 0.58 -0.34 0.00 0.00 178.44 178.88 3gjx h VAL 1020N 0.00 1.37 -0.79 1.05 2.07 -1.23 -3.27 116.25 115.46 3gjx h VAL 1020Ca -0.00 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3gjx h VAL 1020Cb 0.62 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 3gjx h VAL 1020CO 0.04 0.38 0.43 1.56 0.02 0.00 0.00 177.57 180.00 3gjx h GLN 1021N -0.15 1.10 0.00 1.57 4.20 -1.04 -2.77 115.11 118.02 3gjx h GLN 1021Ca 0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gjx h GLN 1021Cb 0.67 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gjx h GLN 1021CO 0.03 0.81 -0.01 -0.84 -0.67 0.00 0.00 178.83 178.15 3gjx h ILE 1022N 1.09 0.03 0.00 2.54 3.07 -1.41 -0.52 117.51 122.31 3gjx h ILE 1022Ca 0.28 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 66.08 3gjx h ILE 1022Cb 0.03 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 3gjx h ILE 1022CO -0.05 0.01 0.00 0.29 -1.05 0.00 0.00 178.15 177.36 3gjx n LYS 1023N -3.11 0.20 -4.01 0.16 5.02 -1.05 -4.77 118.16 110.60 3gjx n LYS 1023Ca 0.01 0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 56.28 3gjx n LYS 1023Cb 0.34 -1.79 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 3gjx n LYS 1023CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gjx s GLU 1024N -3.17 2.20 -0.77 1.97 2.02 -0.20 -4.72 118.70 116.03 3gjx s GLU 1024Ca 0.08 -0.74 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 3gjx s GLU 1024Cb 0.11 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 32.05 3gjx s GLU 1024CO 0.49 -0.34 1.41 -0.06 0.02 0.00 0.00 175.26 176.78 3gjx s PHE 1025N 1.42 2.21 0.06 1.61 0.08 -0.83 -4.88 117.98 117.65 3gjx s PHE 1025Ca 0.01 -0.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.81 3gjx s PHE 1025Cb -0.15 -4.54 -0.14 0.00 -0.57 0.00 0.00 43.02 37.62 3gjx s PHE 1025CO -0.09 -2.08 1.55 0.00 -0.10 0.00 0.00 175.22 174.50 3gjx h ALA 1026N 10.76 0.10 0.00 5.36 0.00 -1.86 -3.37 119.26 130.25 3gjx h ALA 1026Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gjx h ALA 1026Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gjx h ALA 1026CO 1.29 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3gjx n GLY 1027N -0.54 0.83 0.43 0.00 0.00 -1.26 -4.13 105.19 100.52 3gjx n GLY 1027Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3gjx n GLY 1027CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gjx n GLU 1028N 0.00 0.00 0.05 1.61 2.13 -1.26 -4.72 120.64 118.45 3gjx n GLU 1028Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 3gjx n GLU 1028Cb 0.00 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.87 3gjx n GLU 1028CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3gjx n ASP 1029N -1.50 0.15 -4.46 4.31 8.00 -1.26 -4.04 116.55 117.75 3gjx n ASP 1029Ca 0.00 0.56 -0.44 0.00 0.71 0.00 0.00 54.79 55.62 3gjx n ASP 1029Cb 0.00 -0.57 -0.00 0.00 -0.02 0.00 0.00 41.12 40.52 3gjx n ASP 1029CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gjx s THR 1030N -3.13 5.03 -0.80 -3.53 -4.23 -1.26 -4.84 115.64 102.89 3gjx s THR 1030Ca -0.01 -2.61 -0.01 0.00 -1.18 0.00 0.00 61.69 57.88 3gjx s THR 1030Cb 0.02 -4.90 0.36 0.00 1.34 0.00 0.00 72.50 69.31 3gjx s THR 1030CO 0.05 -1.61 1.92 -1.20 -0.54 0.00 0.00 174.62 173.25 3gjx n SER 1031N 5.64 7.22 -2.09 3.99 7.64 -1.26 -4.69 113.62 130.08 3gjx n SER 1031Ca 0.36 -3.83 -0.24 0.00 1.01 0.00 0.00 58.87 56.18 3gjx n SER 1031Cb 0.43 -1.00 0.05 0.00 -1.01 0.00 0.00 64.21 62.68 3gjx n SER 1031CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3gjx n ASP 1032N -0.53 6.92 -0.36 6.43 9.92 -1.26 -4.26 116.55 133.42 3gjx n ASP 1032Ca 0.52 -3.33 0.12 0.00 -0.53 0.00 0.00 54.79 51.57 3gjx n ASP 1032Cb 0.28 -1.04 0.19 0.00 -0.64 0.00 0.00 41.12 39.91 3gjx n ASP 1032CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3gjx n LEU 1033N -0.08 1.49 -3.82 0.64 4.77 -1.26 -4.95 117.00 113.79 3gjx n LEU 1033Ca 0.42 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 3gjx n LEU 1033Cb 0.60 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3gjx n LEU 1033CO 0.52 0.28 -0.02 0.49 -1.33 0.00 0.00 177.39 177.34 3gjx n PHE 1034N -0.38 -2.03 0.63 -1.77 3.01 -1.26 -4.78 117.46 110.88 3gjx n PHE 1034Ca 0.11 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.42 3gjx n PHE 1034Cb 0.40 -4.14 0.00 0.00 -0.01 0.00 0.00 39.48 35.73 3gjx n PHE 1034CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gjx n LEU 1035N -4.45 0.37 0.00 4.37 4.77 -1.26 -1.61 117.00 119.19 3gjx n LEU 1035Ca -0.16 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3gjx n LEU 1035Cb 0.62 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3gjx n LEU 1035CO 0.72 0.09 -0.34 1.21 -1.33 0.00 0.00 177.39 177.74 3gjx n GLU 1036N 0.06 1.32 -0.04 3.23 4.07 -1.26 -4.42 120.64 123.60 3gjx n GLU 1036Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3gjx n GLU 1036Cb 0.09 -0.84 0.02 0.00 -0.06 0.00 0.00 31.44 30.65 3gjx n GLU 1036CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gjx h GLU 1037N 0.00 0.71 -0.12 5.31 4.81 -1.67 -2.83 114.58 120.79 3gjx h GLU 1037Ca 0.00 -0.43 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 3gjx h GLU 1037Cb 0.69 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3gjx h GLU 1037CO 0.00 1.05 -0.64 0.00 -0.73 0.00 0.00 179.01 178.70 3gjx h ARG 1038N 0.55 0.45 0.00 1.92 3.08 -1.71 -3.16 114.38 115.51 3gjx h ARG 1038Ca 0.02 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3gjx h ARG 1038Cb 1.09 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 3gjx h ARG 1038CO 0.11 0.94 -0.07 1.49 -1.07 0.00 0.00 179.97 181.37 3gjx h GLU 1039N 0.33 0.00 0.22 0.04 4.81 -1.73 -0.39 114.58 117.86 3gjx h GLU 1039Ca -0.01 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 3gjx h GLU 1039Cb 1.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.59 3gjx h GLU 1039CO 0.11 0.07 -1.58 1.79 -0.73 0.00 0.00 179.01 178.67 3gjx h THR 1040N 0.00 1.15 -0.24 0.32 1.35 -1.48 -2.88 112.91 111.14 3gjx h THR 1040Ca -0.00 -2.65 -0.04 0.00 -0.55 0.00 0.00 66.41 63.16 3gjx h THR 1040Cb 0.27 2.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 3gjx h THR 1040CO 0.01 0.83 -0.04 0.00 -0.25 0.00 0.00 175.52 176.07 3gjx h ALA 1041N 0.17 1.48 -0.26 6.62 0.00 -1.35 0.35 119.26 126.28 3gjx h ALA 1041Ca -0.29 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3gjx h ALA 1041Cb 2.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3gjx h ALA 1041CO 0.23 0.37 -0.23 -0.07 0.00 0.00 0.00 179.25 179.55 3gjx h LEU 1042N 0.35 0.65 -0.63 0.00 3.38 -1.16 -1.42 115.31 116.48 3gjx h LEU 1042Ca 0.08 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 3gjx h LEU 1042Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3gjx h LEU 1042CO 0.01 0.98 -0.50 0.03 0.09 0.00 0.00 178.44 179.04 3gjx h ARG 1043N 0.34 0.00 -0.30 1.13 2.47 -1.25 -0.57 114.38 116.19 3gjx h ARG 1043Ca 0.05 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 3gjx h ARG 1043Cb 0.78 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 3gjx h ARG 1043CO 0.06 0.50 -0.28 0.37 0.56 0.00 0.00 179.97 181.18 3gjx h GLN 1044N 0.00 0.62 0.00 0.04 4.15 -0.23 0.11 115.11 119.79 3gjx h GLN 1044Ca -0.01 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3gjx h GLN 1044Cb 1.11 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3gjx h GLN 1044CO 0.07 0.83 0.00 0.00 -1.93 0.00 0.00 178.83 177.80 3gjx h ALA 1045N 1.16 1.00 0.01 3.38 0.00 -1.03 -2.98 119.26 120.80 3gjx h ALA 1045Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3gjx h ALA 1045Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3gjx h ALA 1045CO 0.06 0.00 -1.19 0.37 0.00 0.00 0.00 179.25 178.49 3gjx h GLN 1046N 0.00 0.02 -0.18 0.00 5.75 -0.36 -3.16 115.11 117.18 3gjx h GLN 1046Ca 0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3gjx h GLN 1046Cb 0.80 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 3gjx h GLN 1046CO 0.00 0.89 -0.17 1.49 -2.65 0.00 0.00 178.83 178.40 3gjx h GLU 1047N 0.00 0.43 -0.36 1.69 4.81 -0.81 -2.68 114.58 117.66 3gjx h GLU 1047Ca -0.09 -0.22 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 3gjx h GLU 1047Cb 1.84 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 3gjx h GLU 1047CO 0.12 0.78 0.35 0.93 -0.73 0.00 0.00 179.01 180.46 3gjx h GLU 1048N 0.09 0.00 0.11 1.92 4.39 -1.61 -3.12 114.58 116.36 3gjx h GLU 1048Ca 0.03 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3gjx h GLU 1048Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 3gjx h GLU 1048CO 0.04 0.00 -0.45 -0.22 -1.16 0.00 0.00 179.01 177.22 3gjx h LYS 1049N 0.00 -0.63 -0.74 2.33 3.64 -1.43 0.37 116.57 120.11 3gjx h LYS 1049Ca 0.17 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3gjx h LYS 1049Cb 0.87 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3gjx h LYS 1049CO -0.00 -0.42 0.26 1.12 -2.27 0.00 0.00 179.45 178.14 3gjx h HIS 1050N -0.65 1.16 -0.04 1.91 2.07 -1.69 -0.73 115.15 117.19 3gjx h HIS 1050Ca -0.01 -0.10 0.01 0.00 -2.85 0.00 0.00 60.37 57.42 3gjx h HIS 1050Cb 0.65 -0.34 -0.00 0.00 2.57 0.00 0.00 27.41 30.29 3gjx h HIS 1050CO -0.43 0.90 0.17 0.87 -3.07 0.00 0.00 177.93 176.38 3gjx h LYS 1051N 1.08 0.00 0.00 5.12 1.57 -1.44 0.66 116.57 123.57 3gjx h LYS 1051Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gjx h LYS 1051Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3gjx h LYS 1051CO -0.01 0.00 -1.12 1.28 -0.57 0.00 0.00 179.45 179.03 3gjx n LEU 1052N -3.15 0.59 0.00 2.94 4.77 0.06 -4.46 117.00 117.75 3gjx n LEU 1052Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gjx n LEU 1052Cb 0.24 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3gjx n LEU 1052CO 0.19 0.01 -0.02 0.00 -1.33 0.00 0.00 177.39 176.24 3gjx n GLN 1053N -2.07 5.32 -2.36 3.23 10.64 -0.05 -5.05 117.38 127.02 3gjx n GLN 1053Ca 0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.83 3gjx n GLN 1053Cb 0.46 -0.42 -0.01 0.00 -0.86 0.00 0.00 30.24 29.41 3gjx n GLN 1053CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3gjx s MET 1054N -0.83 3.56 0.00 2.61 -1.94 0.21 -5.06 119.30 117.85 3gjx s MET 1054Ca 0.00 1.54 0.00 0.00 -1.71 0.00 0.00 55.69 55.52 3gjx s MET 1054Cb 0.00 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.76 3gjx s MET 1054CO 0.00 -0.66 0.00 0.45 -0.01 0.00 0.00 175.02 174.80