#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijx s THR 5 N 0.00 4.57 0.04 3.15 2.01 -1.26 -4.59 115.64 119.56 3ijx s THR 5 Ca 0.00 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 3ijx s THR 5 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 3ijx s THR 5 CO 0.00 -0.15 1.25 -0.69 -0.69 0.00 0.00 174.62 174.34 3ijx s VAL 6 N 3.17 3.95 -0.28 3.82 1.01 0.45 -4.85 120.40 127.66 3ijx s VAL 6 Ca 0.47 1.37 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 3ijx s VAL 6 Cb -0.17 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3ijx s VAL 6 CO 0.09 0.07 0.86 -0.69 0.00 0.00 0.00 175.10 175.43 3ijx s VAL 7 N 1.47 4.76 -0.32 2.92 1.01 -1.26 -0.73 120.40 128.24 3ijx s VAL 7 Ca 0.60 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 3ijx s VAL 7 Cb -0.30 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3ijx s VAL 7 CO 0.28 -0.23 0.20 -0.69 0.00 0.00 0.00 175.10 174.66 3ijx s VAL 8 N 3.04 5.03 0.05 2.92 1.01 0.00 -1.69 120.40 130.76 3ijx s VAL 8 Ca 0.36 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 3ijx s VAL 8 Cb -0.14 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3ijx s VAL 8 CO 0.11 0.04 0.59 0.28 0.00 0.00 0.00 175.10 176.13 3ijx s THR 9 N 1.69 4.79 0.07 3.92 -1.32 -0.26 -0.81 115.64 123.71 3ijx s THR 9 Ca 0.06 1.26 -0.02 0.00 -1.21 0.00 0.00 61.69 61.78 3ijx s THR 9 Cb -0.17 -3.93 0.01 0.00 -1.51 0.00 0.00 72.50 66.90 3ijx s THR 9 CO 0.09 0.50 0.12 1.07 -2.21 0.00 0.00 174.62 174.19 3ijx n THR 10 N 2.13 0.00 -4.02 5.08 5.66 -0.91 -2.50 114.28 119.72 3ijx n THR 10 Ca -0.09 -0.22 -0.08 0.00 -3.05 0.00 0.00 64.05 60.62 3ijx n THR 10 Cb 0.51 0.18 -0.09 0.00 -1.55 0.00 0.00 70.33 69.37 3ijx n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3ijx s ILE 11 N -2.73 0.19 -0.39 1.09 2.07 -1.26 -1.49 121.20 118.67 3ijx s ILE 11 Ca 0.04 -1.56 -0.22 0.00 -1.41 0.00 0.00 60.65 57.49 3ijx s ILE 11 Cb -0.01 -1.36 0.01 0.00 0.13 0.00 0.00 42.46 41.24 3ijx s ILE 11 CO 0.03 -0.86 0.75 -0.76 -1.91 0.00 0.00 174.94 172.18 3ijx s LEU 12 N -2.76 4.21 -0.30 8.50 1.43 -1.26 -4.29 118.68 124.21 3ijx s LEU 12 Ca 0.04 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3ijx s LEU 12 Cb 0.06 -2.95 0.19 0.00 0.03 0.00 0.00 46.19 43.52 3ijx s LEU 12 CO -0.09 -0.76 0.80 -0.70 0.23 0.00 0.00 176.35 175.83 3ijx s GLU 13 N 3.07 0.38 0.32 1.70 2.56 -0.73 -4.98 118.70 121.02 3ijx s GLU 13 Ca 0.29 0.54 -0.27 0.00 0.00 0.00 0.00 54.97 55.53 3ijx s GLU 13 Cb -0.13 0.28 -0.09 0.00 2.00 0.00 0.00 34.13 36.19 3ijx s GLU 13 CO 0.18 -0.55 1.03 -1.12 -0.56 0.00 0.00 175.26 174.24 3ijx s SER 14 N 2.90 7.20 -0.26 -1.70 0.01 -1.26 0.15 113.70 120.74 3ijx s SER 14 Ca 0.14 2.07 0.05 0.00 1.31 0.00 0.00 55.95 59.52 3ijx s SER 14 Cb -0.10 -2.60 0.49 0.00 0.21 0.00 0.00 66.02 64.02 3ijx s SER 14 CO -0.20 -0.18 1.53 -0.81 0.41 0.00 0.00 173.24 173.99 3ijx n PRO 15 N 0.76 2.47 0.11 12.44 -0.04 -1.26 -4.93 135.00 144.55 3ijx n PRO 15 Ca 0.01 -2.08 -0.11 0.00 -0.04 0.00 0.00 63.50 61.28 3ijx n PRO 15 Cb 0.47 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 3ijx n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ijx h TYR 16 N 1.38 -0.32 -3.13 0.54 0.05 0.11 -0.39 116.97 115.21 3ijx h TYR 16 Ca 0.29 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.72 3ijx h TYR 16 Cb 2.01 0.11 -0.37 0.00 1.01 0.00 0.00 36.73 39.49 3ijx h TYR 16 CO 0.97 0.05 -0.68 0.08 -1.05 0.00 0.00 178.16 177.53 3ijx s VAL 17 N -3.87 -0.20 0.09 -2.88 1.01 -0.72 -0.91 120.40 112.92 3ijx s VAL 17 Ca -0.13 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3ijx s VAL 17 Cb 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3ijx s VAL 17 CO 0.47 0.10 -0.11 -0.04 0.00 0.00 0.00 175.10 175.52 3ijx s MET 18 N 2.24 0.84 -0.47 2.72 -1.94 0.70 -1.77 119.30 121.63 3ijx s MET 18 Ca 0.04 -1.10 -0.22 0.00 -1.71 0.00 0.00 55.69 52.69 3ijx s MET 18 Cb -0.13 -0.63 0.03 0.00 2.01 0.00 0.00 34.83 36.12 3ijx s MET 18 CO -0.05 0.11 0.77 1.41 -0.01 0.00 0.00 175.02 177.25 3ijx s MET 19 N -2.49 3.34 0.31 2.03 1.75 -1.26 -1.21 119.30 121.77 3ijx s MET 19 Ca 0.03 -0.25 -0.27 0.00 -1.25 0.00 0.00 55.69 53.95 3ijx s MET 19 Cb -0.05 -3.97 -0.14 0.00 2.84 0.00 0.00 34.83 33.51 3ijx s MET 19 CO 0.01 -1.17 0.96 1.63 -0.65 0.00 0.00 175.02 175.80 3ijx n LYS 20 N 6.71 1.24 -1.71 4.11 5.02 -0.55 -4.75 118.16 128.23 3ijx n LYS 20 Ca 0.01 0.44 -0.65 0.00 -2.02 0.00 0.00 58.31 56.08 3ijx n LYS 20 Cb 0.48 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 3ijx n LYS 20 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ijx n LYS 21 N 0.67 0.22 -1.53 1.97 3.00 -1.26 -1.68 118.16 119.55 3ijx n LYS 21 Ca 0.10 0.08 -0.11 0.00 -0.00 0.00 0.00 58.31 58.38 3ijx n LYS 21 Cb 0.33 -1.62 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 3ijx n LYS 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ijx n ASN 22 N 4.56 -4.10 -0.97 3.14 5.03 -1.26 -4.90 115.26 116.77 3ijx n ASN 22 Ca 0.32 0.20 0.08 0.00 0.87 0.00 0.00 54.58 56.05 3ijx n ASN 22 Cb -0.02 -2.73 0.23 0.00 -1.02 0.00 0.00 39.78 36.24 3ijx n ASN 22 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ijx n HIS 23 N -3.01 0.70 -0.16 3.10 8.25 -0.68 -4.65 115.22 118.77 3ijx n HIS 23 Ca -0.11 -0.49 0.13 0.00 -0.26 0.00 0.00 57.72 56.98 3ijx n HIS 23 Cb 0.41 -0.01 0.46 0.00 1.12 0.00 0.00 29.99 31.97 3ijx n HIS 23 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ijx h GLU 24 N 3.09 0.48 -0.03 -0.41 3.07 -1.91 -1.36 114.58 117.52 3ijx h GLU 24 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3ijx h GLU 24 Cb 0.85 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3ijx h GLU 24 CO 0.00 0.32 -0.01 -1.33 -1.40 0.00 0.00 179.01 176.59 3ijx n MET 25 N -4.49 2.11 -1.54 2.33 2.81 -1.26 -4.93 117.12 112.15 3ijx n MET 25 Ca 0.13 -1.63 -0.24 0.00 -1.81 0.00 0.00 57.70 54.16 3ijx n MET 25 Cb 0.43 -1.47 0.17 0.00 -0.71 0.00 0.00 33.22 31.64 3ijx n MET 25 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ijx n LEU 26 N 0.98 0.00 -4.26 4.03 4.32 -0.51 -5.08 117.00 116.47 3ijx n LEU 26 Ca 0.15 -1.18 -0.26 0.00 -0.02 0.00 0.00 56.01 54.70 3ijx n LEU 26 Cb 0.52 -0.83 -0.14 0.00 -1.62 0.00 0.00 43.42 41.35 3ijx n LEU 26 CO 0.16 -1.27 -0.53 -1.83 -1.22 0.00 0.00 177.39 172.70 3ijx s GLU 27 N -5.36 1.50 1.57 3.23 -1.05 -1.26 -4.97 118.70 112.37 3ijx s GLU 27 Ca 0.61 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 3ijx s GLU 27 Cb -0.02 -1.59 0.00 0.00 -0.44 0.00 0.00 34.13 32.09 3ijx s GLU 27 CO 0.43 0.41 0.00 0.41 0.95 0.00 0.00 175.26 177.46 3ijx n GLY 28 N 1.97 -1.48 0.30 -3.83 0.00 -1.26 -4.10 105.19 96.79 3ijx n GLY 28 Ca -0.17 -1.26 0.16 0.00 0.00 0.00 0.00 46.02 44.75 3ijx n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ijx h ASN 29 N 0.00 0.00 -0.01 1.61 2.35 -1.93 -2.49 115.58 115.10 3ijx h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ijx h ASN 29 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ijx h ASN 29 CO 0.00 0.00 0.03 -0.08 -1.65 0.00 0.00 177.43 175.73 3ijx h GLU 30 N 0.00 0.00 0.00 0.81 4.57 -2.01 -2.51 114.58 115.44 3ijx h GLU 30 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ijx h GLU 30 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3ijx h GLU 30 CO -0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 3ijx n ARG 31 N -3.53 0.09 -4.34 1.92 1.74 -0.94 -4.79 116.66 106.81 3ijx n ARG 31 Ca -0.03 0.28 -0.28 0.00 -0.77 0.00 0.00 57.85 57.06 3ijx n ARG 31 Cb 0.10 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.78 3ijx n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ijx s TYR 32 N -3.12 2.48 0.11 -1.55 2.02 -0.95 -1.48 117.35 114.86 3ijx s TYR 32 Ca 0.07 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3ijx s TYR 32 Cb 0.11 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 3ijx s TYR 32 CO 0.37 0.46 -0.07 -1.83 -1.57 0.00 0.00 175.55 172.90 3ijx s GLU 33 N -2.51 0.89 0.00 -0.62 -1.05 -0.35 -4.88 118.70 110.17 3ijx s GLU 33 Ca 0.21 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 3ijx s GLU 33 Cb -0.09 -0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.31 3ijx s GLU 33 CO 0.11 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.73 3ijx n GLY 34 N -0.08 0.99 0.25 -3.83 0.00 -1.26 -0.21 105.19 101.05 3ijx n GLY 34 Ca -0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 3ijx n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ijx h TYR 35 N 0.00 -0.56 -0.44 1.61 5.03 -0.35 -2.17 116.97 120.09 3ijx h TYR 35 Ca 0.00 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 3ijx h TYR 35 Cb 0.00 0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 3ijx h TYR 35 CO 0.00 -0.30 -0.09 0.00 -1.32 0.00 0.00 178.16 176.44 3ijx h VAL 37 N 0.70 1.16 0.03 0.00 2.07 -1.49 0.28 116.25 119.00 3ijx h VAL 37 Ca 0.12 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3ijx h VAL 37 Cb 0.56 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3ijx h VAL 37 CO 0.03 0.17 -0.01 0.44 0.02 0.00 0.00 177.57 178.22 3ijx h ASP 38 N 0.72 -0.03 -0.77 0.57 3.32 -1.08 -2.94 116.42 116.20 3ijx h ASP 38 Ca 0.18 -0.67 0.18 0.00 0.02 0.00 0.00 57.03 56.74 3ijx h ASP 38 Cb 0.02 0.01 -0.13 0.00 0.22 0.00 0.00 39.33 39.45 3ijx h ASP 38 CO -0.03 0.70 0.09 0.25 -1.72 0.00 0.00 179.24 178.53 3ijx h LEU 39 N -0.82 -0.20 -0.90 1.55 5.85 -0.81 -1.82 115.31 118.16 3ijx h LEU 39 Ca -0.00 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ijx h LEU 39 Cb 0.70 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3ijx h LEU 39 CO 0.01 -0.14 0.55 0.00 -0.34 0.00 0.00 178.44 178.51 3ijx h ALA 40 N 1.70 1.15 -0.64 1.25 0.00 -0.44 0.56 119.26 122.83 3ijx h ALA 40 Ca 0.44 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3ijx h ALA 40 Cb 0.79 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ijx h ALA 40 CO -0.63 0.60 0.41 0.00 0.00 0.00 0.00 179.25 179.64 3ijx h ALA 41 N 1.30 0.82 -0.19 0.00 0.00 -1.17 0.26 119.26 120.29 3ijx h ALA 41 Ca 0.32 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ijx h ALA 41 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ijx h ALA 41 CO -0.06 0.21 -0.12 0.93 0.00 0.00 0.00 179.25 180.20 3ijx h GLU 42 N 0.83 0.42 -0.25 0.00 4.39 -0.73 -1.16 114.58 118.08 3ijx h GLU 42 Ca 0.24 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3ijx h GLU 42 Cb -0.05 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 3ijx h GLU 42 CO -0.07 0.74 -0.08 0.82 -1.16 0.00 0.00 179.01 179.26 3ijx h ILE 43 N 0.09 0.71 -0.69 3.13 1.08 -0.74 -0.74 117.51 120.35 3ijx h ILE 43 Ca 0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3ijx h ILE 43 Cb 0.63 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3ijx h ILE 43 CO 0.03 0.00 0.23 0.00 -0.69 0.00 0.00 178.15 177.72 3ijx h ALA 44 N 1.21 1.10 0.13 1.87 0.00 -0.94 -0.71 119.26 121.93 3ijx h ALA 44 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ijx h ALA 44 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ijx h ALA 44 CO -0.27 0.62 -0.06 1.57 0.00 0.00 0.00 179.25 181.10 3ijx h LYS 45 N 1.01 -0.17 -0.39 0.00 5.09 -0.74 0.26 116.57 121.63 3ijx h LYS 45 Ca 0.23 0.01 -0.13 0.00 0.09 0.00 0.00 60.65 60.84 3ijx h LYS 45 Cb 0.27 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 3ijx h LYS 45 CO -0.01 -0.11 -0.29 0.45 -2.09 0.00 0.00 179.45 177.40 3ijx h HIS 46 N -0.18 0.98 -0.00 0.07 -0.00 -0.95 -2.77 115.15 112.31 3ijx h HIS 46 Ca -0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3ijx h HIS 46 Cb 0.14 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3ijx h HIS 46 CO -0.07 1.03 -0.17 0.00 -0.00 0.00 0.00 177.93 178.72 3ijx n GLY 48 N 1.48 -1.17 3.64 0.00 0.00 0.81 -5.05 105.19 104.91 3ijx n GLY 48 Ca 0.07 0.71 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 3ijx n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ijx s PHE 49 N -2.72 0.10 -0.18 1.61 -0.12 -0.55 -5.03 117.98 111.09 3ijx s PHE 49 Ca 0.10 -0.49 -0.07 0.00 -0.05 0.00 0.00 56.93 56.42 3ijx s PHE 49 Cb -0.03 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 3ijx s PHE 49 CO 0.66 -1.04 0.05 -1.59 -0.05 0.00 0.00 175.22 173.25 3ijx s LYS 50 N -3.96 3.91 0.26 1.99 0.00 -1.26 -4.67 119.74 116.01 3ijx s LYS 50 Ca 0.16 -0.38 0.11 0.00 0.00 0.00 0.00 55.97 55.87 3ijx s LYS 50 Cb -0.02 -3.18 -0.05 0.00 0.00 0.00 0.00 37.83 34.58 3ijx s LYS 50 CO 0.06 0.23 -0.17 1.52 0.00 0.00 0.00 175.35 176.99 3ijx s TYR 51 N 0.46 2.37 -0.17 1.78 1.13 -1.26 -0.41 117.35 121.24 3ijx s TYR 51 Ca 0.02 -0.31 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 3ijx s TYR 51 Cb -0.13 -1.05 0.02 0.00 -1.10 0.00 0.00 41.96 39.70 3ijx s TYR 51 CO 0.01 0.67 -0.19 0.21 -2.51 0.00 0.00 175.55 173.74 3ijx s LYS 52 N -3.41 2.85 -0.03 -3.49 2.20 0.09 -4.87 119.74 113.08 3ijx s LYS 52 Ca 0.29 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3ijx s LYS 52 Cb -0.06 -2.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3ijx s LYS 52 CO 0.15 -0.21 1.38 -0.51 -0.36 0.00 0.00 175.35 175.80 3ijx s LEU 53 N 1.33 4.30 0.03 5.43 1.43 -1.26 -0.82 118.68 129.11 3ijx s LEU 53 Ca 0.05 2.03 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 3ijx s LEU 53 Cb -0.13 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3ijx s LEU 53 CO -0.12 -0.72 -0.12 0.42 0.23 0.00 0.00 176.35 176.04 3ijx s THR 54 N 2.64 0.90 0.02 5.49 -4.23 0.01 -4.82 115.64 115.65 3ijx s THR 54 Ca 0.62 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 3ijx s THR 54 Cb -0.29 -0.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 3ijx s THR 54 CO 0.25 -0.03 0.58 -0.63 -0.54 0.00 0.00 174.62 174.25 3ijx s ILE 55 N -0.79 4.87 0.09 2.99 -1.09 -1.26 -2.15 121.20 123.85 3ijx s ILE 55 Ca -0.00 1.22 -0.31 0.00 -2.23 0.00 0.00 60.65 59.33 3ijx s ILE 55 Cb -0.07 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 3ijx s ILE 55 CO 0.01 0.46 1.82 0.54 -1.23 0.00 0.00 174.94 176.54 3ijx s VAL 56 N -0.47 2.78 0.23 2.92 0.11 -0.56 -4.89 120.40 120.52 3ijx s VAL 56 Ca 0.30 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 3ijx s VAL 56 Cb -0.18 -3.10 0.18 0.00 -1.53 0.00 0.00 36.38 31.75 3ijx s VAL 56 CO 0.17 -0.00 1.80 1.23 -3.33 0.00 0.00 175.10 174.97 3ijx h GLY 57 N 9.16 1.13 0.26 6.54 0.00 -1.95 -1.94 103.07 116.27 3ijx h GLY 57 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3ijx h GLY 57 CO 0.94 0.12 -0.26 2.09 0.00 0.00 0.00 176.54 179.44 3ijx n ASP 58 N -4.79 1.01 -0.81 0.19 3.85 -1.26 -4.95 116.55 109.80 3ijx n ASP 58 Ca 0.11 -0.88 -0.11 0.00 -0.71 0.00 0.00 54.79 53.21 3ijx n ASP 58 Cb 0.24 0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 40.10 3ijx n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ijx n GLY 59 N 1.34 1.10 4.00 6.12 0.00 -0.73 -5.00 105.19 112.03 3ijx n GLY 59 Ca 0.12 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3ijx n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijx s LYS 60 N -2.73 2.30 -0.17 1.61 1.02 -1.26 -5.01 119.74 115.50 3ijx s LYS 60 Ca 0.00 -1.17 -0.14 0.00 0.02 0.00 0.00 55.97 54.68 3ijx s LYS 60 Cb 0.00 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 3ijx s LYS 60 CO 0.00 -0.87 -0.27 0.66 -0.92 0.00 0.00 175.35 173.96 3ijx n TYR 61 N -2.36 0.42 0.00 3.18 4.02 -1.26 -3.04 117.16 118.12 3ijx n TYR 61 Ca 0.12 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3ijx n TYR 61 Cb 0.60 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3ijx n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ijx n GLY 62 N 1.52 -0.43 3.27 2.72 0.00 -1.24 -0.55 105.19 110.47 3ijx n GLY 62 Ca -0.12 0.73 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 3ijx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijx s ALA 63 N 0.00 1.64 -0.26 4.61 0.00 -1.25 -4.75 121.76 121.75 3ijx s ALA 63 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 3ijx s ALA 63 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3ijx s ALA 63 CO 0.00 0.17 0.19 0.50 0.00 0.00 0.00 175.76 176.62 3ijx s ARG 64 N -2.58 4.01 0.20 0.00 6.06 -1.26 -1.38 118.95 123.99 3ijx s ARG 64 Ca 0.10 -0.27 -0.32 0.00 -2.50 0.00 0.00 55.73 52.75 3ijx s ARG 64 Cb -0.06 -3.61 -0.11 0.00 0.06 0.00 0.00 34.95 31.23 3ijx s ARG 64 CO 0.04 -0.09 1.63 0.34 -2.50 0.00 0.00 175.30 174.72 3ijx s ASP 65 N 1.47 6.48 0.25 -2.12 2.15 -0.42 -4.86 116.67 119.62 3ijx s ASP 65 Ca 0.08 2.75 -0.04 0.00 0.43 0.00 0.00 52.55 55.77 3ijx s ASP 65 Cb -0.15 -2.60 0.30 0.00 -0.30 0.00 0.00 42.92 40.17 3ijx s ASP 65 CO 0.08 -0.89 1.82 0.00 -0.17 0.00 0.00 175.17 176.01 3ijx h ALA 66 N 6.58 1.16 -0.29 3.66 0.00 -1.97 0.25 119.26 128.66 3ijx h ALA 66 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ijx h ALA 66 Cb 1.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ijx h ALA 66 CO 0.92 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 180.52 3ijx n ASP 67 N -4.29 0.00 -0.33 0.00 9.92 -1.26 -4.24 116.55 116.36 3ijx n ASP 67 Ca 0.06 0.83 0.12 0.00 -0.53 0.00 0.00 54.79 55.27 3ijx n ASP 67 Cb 0.19 -0.45 0.26 0.00 -0.64 0.00 0.00 41.12 40.48 3ijx n ASP 67 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ijx n THR 68 N -1.86 0.00 -2.55 -3.53 -2.24 -1.25 -4.94 114.28 97.92 3ijx n THR 68 Ca 0.00 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 3ijx n THR 68 Cb 0.00 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3ijx n THR 68 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ijx n LYS 69 N -0.45 -2.48 -3.97 -0.78 4.76 0.08 -4.99 118.16 110.34 3ijx n LYS 69 Ca 0.11 0.96 -0.35 0.00 -2.87 0.00 0.00 58.31 56.16 3ijx n LYS 69 Cb 0.38 -5.63 -0.11 0.00 -1.84 0.00 0.00 35.03 27.83 3ijx n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijx s ILE 70 N -3.05 4.57 -0.03 -0.18 -1.09 -1.25 -4.75 121.20 115.42 3ijx s ILE 70 Ca 0.08 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 3ijx s ILE 70 Cb -0.04 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 3ijx s ILE 70 CO 0.10 0.42 1.19 0.26 -1.23 0.00 0.00 174.94 175.68 3ijx s TRP 71 N 0.79 3.27 0.65 3.97 0.52 -1.26 -1.30 118.94 125.58 3ijx s TRP 71 Ca 0.03 1.26 0.04 0.00 0.02 0.00 0.00 56.10 57.45 3ijx s TRP 71 Cb -0.14 -3.41 0.11 0.00 -1.15 0.00 0.00 33.47 28.88 3ijx s TRP 71 CO 0.02 -1.25 0.89 0.54 0.02 0.00 0.00 176.95 177.18 3ijx s ASN 72 N 1.36 4.71 0.14 2.95 2.20 -0.48 -4.25 114.94 121.57 3ijx s ASN 72 Ca 0.56 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 3ijx s ASN 72 Cb -0.26 0.09 0.00 0.00 -2.00 0.00 0.00 41.25 39.09 3ijx s ASN 72 CO 0.24 -1.60 0.00 0.61 -2.94 0.00 0.00 177.10 173.41 3ijx n GLY 73 N -2.55 -1.46 0.35 0.45 0.00 -1.26 -1.45 105.19 99.27 3ijx n GLY 73 Ca 0.15 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.93 3ijx n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ijx h MET 74 N 0.00 0.82 -0.05 1.61 2.86 -0.74 -0.93 114.93 118.49 3ijx h MET 74 Ca 0.00 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3ijx h MET 74 Cb 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3ijx h MET 74 CO 0.00 0.54 -0.00 0.28 1.06 0.00 0.00 176.91 178.79 3ijx h VAL 75 N 0.84 0.96 -0.45 -2.22 2.07 -1.43 -2.79 116.25 113.23 3ijx h VAL 75 Ca 0.31 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.92 3ijx h VAL 75 Cb 0.17 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3ijx h VAL 75 CO -0.10 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.54 3ijx h GLY 76 N 0.01 0.18 0.45 2.17 0.00 -0.06 -0.87 103.07 104.95 3ijx h GLY 76 Ca 0.03 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.78 3ijx h GLY 76 CO -0.05 -0.20 0.56 0.83 0.00 0.00 0.00 176.54 177.68 3ijx h GLU 77 N -0.09 0.31 0.01 4.80 4.39 -0.98 -2.19 114.58 120.83 3ijx h GLU 77 Ca 0.22 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3ijx h GLU 77 Cb 0.42 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ijx h GLU 77 CO -0.51 0.21 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.48 3ijx h LEU 78 N 0.32 -0.01 -1.20 1.33 3.38 -1.03 0.29 115.31 118.39 3ijx h LEU 78 Ca 0.42 -0.84 0.11 0.00 0.09 0.00 0.00 57.88 57.65 3ijx h LEU 78 Cb 1.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 3ijx h LEU 78 CO -0.12 0.89 0.58 0.58 0.09 0.00 0.00 178.44 180.46 3ijx h VAL 79 N -0.95 0.93 -0.51 1.22 2.07 -0.76 -2.51 116.25 115.74 3ijx h VAL 79 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ijx h VAL 79 Cb 0.85 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3ijx h VAL 79 CO 0.00 0.16 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 3ijx n TYR 80 N -4.55 1.63 -1.78 1.57 4.01 -0.87 -4.95 117.16 112.23 3ijx n TYR 80 Ca 0.16 -0.73 -0.13 0.00 -0.16 0.00 0.00 57.90 57.04 3ijx n TYR 80 Cb 0.35 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 3ijx n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ijx n GLY 81 N 0.46 0.69 0.04 2.72 0.00 -0.95 -4.89 105.19 103.26 3ijx n GLY 81 Ca 0.25 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3ijx n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijx n LYS 82 N -2.46 0.13 -3.78 1.61 4.76 0.87 -4.94 118.16 114.35 3ijx n LYS 82 Ca -0.14 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.26 3ijx n LYS 82 Cb 0.52 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 3ijx n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ijx s ALA 83 N -3.07 -0.58 -0.19 7.82 0.00 -0.42 -4.97 121.76 120.37 3ijx s ALA 83 Ca 0.10 -0.40 0.13 0.00 0.00 0.00 0.00 51.96 51.79 3ijx s ALA 83 Cb 0.16 0.74 -0.18 0.00 0.00 0.00 0.00 23.12 23.83 3ijx s ALA 83 CO 0.65 -0.66 0.36 -0.25 0.00 0.00 0.00 175.76 175.86 3ijx n ASP 84 N -0.22 1.59 -3.60 0.00 8.00 -0.68 -4.54 116.55 117.10 3ijx n ASP 84 Ca -0.12 -0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.08 3ijx n ASP 84 Cb 0.63 1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 43.11 3ijx n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ijx s ILE 85 N -2.71 0.00 -0.15 0.53 2.07 -1.15 -4.43 121.20 115.36 3ijx s ILE 85 Ca -0.02 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.22 3ijx s ILE 85 Cb 0.09 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.71 3ijx s ILE 85 CO 0.54 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.48 3ijx s ALA 86 N -1.32 1.62 -0.41 1.50 0.00 0.01 -1.10 121.76 122.06 3ijx s ALA 86 Ca 0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3ijx s ALA 86 Cb -0.01 -1.06 0.10 0.00 0.00 0.00 0.00 23.12 22.15 3ijx s ALA 86 CO -0.03 -0.56 0.21 0.42 0.00 0.00 0.00 175.76 175.80 3ijx s ILE 87 N 1.58 3.59 0.08 0.00 1.01 -1.04 -2.13 121.20 124.30 3ijx s ILE 87 Ca 0.03 -1.79 -0.26 0.00 0.00 0.00 0.00 60.65 58.62 3ijx s ILE 87 Cb -0.14 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 39.07 3ijx s ILE 87 CO -0.09 -0.59 0.89 0.00 0.00 0.00 0.00 174.94 175.15 3ijx s ALA 88 N 1.25 -1.72 -0.78 9.38 0.00 -1.26 -4.64 121.76 123.99 3ijx s ALA 88 Ca 0.05 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3ijx s ALA 88 Cb -0.23 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 3ijx s ALA 88 CO -0.02 -0.85 2.01 -0.35 0.00 0.00 0.00 175.76 176.55 3ijx n PRO 89 N -0.36 1.84 -3.03 0.00 -0.04 -1.26 -4.65 135.00 127.50 3ijx n PRO 89 Ca -0.08 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 61.65 3ijx n PRO 89 Cb 0.61 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 3ijx n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ijx s LEU 90 N 0.08 4.10 -0.20 1.53 2.96 -1.26 -4.99 118.68 120.89 3ijx s LEU 90 Ca 0.36 0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 54.63 3ijx s LEU 90 Cb 0.10 -2.95 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 3ijx s LEU 90 CO -0.03 -0.49 1.17 -0.89 -1.32 0.00 0.00 176.35 174.78 3ijx s THR 91 N 2.71 4.45 -0.26 3.68 2.01 -1.26 -1.83 115.64 125.13 3ijx s THR 91 Ca 0.29 1.75 -0.32 0.00 0.31 0.00 0.00 61.69 63.72 3ijx s THR 91 Cb -0.15 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 3ijx s THR 91 CO 0.10 -0.17 2.17 -0.38 -0.69 0.00 0.00 174.62 175.66 3ijx n ILE 92 N 5.39 0.30 -4.22 1.82 5.41 -0.97 -4.93 119.36 122.15 3ijx n ILE 92 Ca 0.13 -0.33 -0.12 0.00 1.00 0.00 0.00 62.75 63.42 3ijx n ILE 92 Cb 0.45 -2.07 -0.10 0.00 -0.71 0.00 0.00 39.64 37.21 3ijx n ILE 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3ijx s THR 93 N 7.43 0.72 0.21 1.39 -4.23 -1.26 -4.74 115.64 115.15 3ijx s THR 93 Ca 1.04 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3ijx s THR 93 Cb -0.61 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.22 3ijx s THR 93 CO 0.43 -0.64 1.51 0.25 -0.54 0.00 0.00 174.62 175.64 3ijx h LEU 94 N 2.80 0.41 -0.87 4.79 5.85 -1.99 -1.21 115.31 125.09 3ijx h LEU 94 Ca -0.36 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.00 3ijx h LEU 94 Cb 1.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3ijx h LEU 94 CO 0.63 0.93 -0.48 -0.37 -0.34 0.00 0.00 178.44 178.81 3ijx h VAL 95 N 0.26 1.34 0.15 1.05 -1.51 -1.99 -3.12 116.25 112.43 3ijx h VAL 95 Ca -0.01 -1.69 -0.01 0.00 -1.23 0.00 0.00 66.70 63.76 3ijx h VAL 95 Cb 1.16 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 3ijx h VAL 95 CO 0.10 0.50 -0.07 0.03 -1.23 0.00 0.00 177.57 176.90 3ijx h ARG 96 N 0.16 -0.19 0.00 5.19 3.08 -1.85 -3.14 114.38 117.64 3ijx h ARG 96 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3ijx h ARG 96 Cb 0.91 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3ijx h ARG 96 CO 0.07 0.18 0.22 1.49 -1.07 0.00 0.00 179.97 180.87 3ijx h GLU 97 N -0.61 0.00 -0.25 0.04 4.57 -1.26 0.50 114.58 117.57 3ijx h GLU 97 Ca -0.02 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.97 3ijx h GLU 97 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3ijx h GLU 97 CO 0.03 0.00 -0.57 0.93 -1.18 0.00 0.00 179.01 178.22 3ijx h GLU 98 N 0.00 0.83 -0.01 1.92 5.08 -1.48 -3.35 114.58 117.57 3ijx h GLU 98 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3ijx h GLU 98 Cb 0.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ijx h GLU 98 CO 0.00 1.19 -0.61 1.33 -1.00 0.00 0.00 179.01 179.92 3ijx n VAL 99 N -4.03 0.00 -4.13 3.13 0.24 0.07 -4.99 118.33 108.62 3ijx n VAL 99 Ca -0.05 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3ijx n VAL 99 Cb 0.64 1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 34.11 3ijx n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3ijx s ILE 100 N -2.50 0.00 -0.15 1.34 -4.36 -0.62 -4.35 121.20 110.55 3ijx s ILE 100 Ca 0.14 -1.72 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3ijx s ILE 100 Cb 0.16 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 3ijx s ILE 100 CO 0.62 0.00 -0.08 -1.81 0.24 0.00 0.00 174.94 173.91 3ijx s ASP 101 N -3.22 4.40 -0.08 4.36 1.01 -0.06 -4.36 116.67 118.72 3ijx s ASP 101 Ca 0.33 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 3ijx s ASP 101 Cb 0.01 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 3ijx s ASP 101 CO 0.19 0.14 0.10 -0.36 0.21 0.00 0.00 175.17 175.45 3ijx s PHE 102 N 0.51 3.44 1.02 4.23 0.08 -1.26 -1.09 117.98 124.91 3ijx s PHE 102 Ca -0.06 0.38 -0.15 0.00 0.12 0.00 0.00 56.93 57.22 3ijx s PHE 102 Cb -0.15 -1.86 0.20 0.00 -0.57 0.00 0.00 43.02 40.64 3ijx s PHE 102 CO 0.03 0.63 1.16 -1.54 -0.10 0.00 0.00 175.22 175.40 3ijx s SER 103 N -1.19 2.55 0.66 1.36 1.04 0.45 -4.97 113.70 113.60 3ijx s SER 103 Ca 0.17 0.77 -0.18 0.00 0.48 0.00 0.00 55.95 57.19 3ijx s SER 103 Cb -0.12 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 3ijx s SER 103 CO 0.07 -3.13 1.28 -0.54 0.98 0.00 0.00 173.24 171.89 3ijx s LYS 104 N -5.38 2.52 -0.08 4.02 -0.14 -1.26 -4.53 119.74 114.88 3ijx s LYS 104 Ca 0.68 2.00 -0.37 0.00 -1.36 0.00 0.00 55.97 56.92 3ijx s LYS 104 Cb -0.12 -1.85 -0.15 0.00 -1.68 0.00 0.00 37.83 34.03 3ijx s LYS 104 CO 0.55 -1.61 1.61 -2.30 -0.76 0.00 0.00 175.35 172.84 3ijx n PRO 105 N -2.00 1.43 0.07 -1.68 -0.02 -1.26 -4.57 135.00 126.97 3ijx n PRO 105 Ca 0.15 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3ijx n PRO 105 Cb 0.49 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3ijx n PRO 105 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3ijx n PHE 106 N 4.40 0.93 -3.79 6.00 1.16 0.23 -4.93 117.46 121.45 3ijx n PHE 106 Ca 0.22 0.29 -0.13 0.00 -1.87 0.00 0.00 57.45 55.96 3ijx n PHE 106 Cb 0.19 -1.00 -0.09 0.00 -1.61 0.00 0.00 39.48 36.97 3ijx n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3ijx s MET 107 N -3.18 0.56 0.07 3.97 0.00 -1.24 -5.01 119.30 114.47 3ijx s MET 107 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 55.69 55.57 3ijx s MET 107 Cb 0.09 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.13 3ijx s MET 107 CO 0.80 -0.14 0.06 0.45 0.00 0.00 0.00 175.02 176.20 3ijx s SER 108 N -1.06 5.44 0.29 1.11 0.15 -1.26 -0.84 113.70 117.54 3ijx s SER 108 Ca -0.11 -0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3ijx s SER 108 Cb -0.05 -1.44 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3ijx s SER 108 CO 0.03 0.18 0.48 0.00 1.20 0.00 0.00 173.24 175.14 3ijx n LEU 109 N 0.56 0.00 -3.66 3.45 -0.00 0.22 -4.82 117.00 112.75 3ijx n LEU 109 Ca -0.09 -2.13 -0.11 0.00 -0.00 0.00 0.00 56.01 53.68 3ijx n LEU 109 Cb 0.52 2.42 -0.05 0.00 -0.00 0.00 0.00 43.42 46.31 3ijx n LEU 109 CO 0.43 -0.58 0.14 -0.83 -0.00 0.00 0.00 177.39 176.54 3ijx s GLY 110 N -2.65 -0.25 0.40 1.47 0.00 -1.26 -0.71 107.32 104.31 3ijx s GLY 110 Ca 0.18 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 3ijx s GLY 110 CO 0.13 -0.21 1.27 -0.42 0.00 0.00 0.00 173.10 173.86 3ijx s ILE 111 N -3.33 2.76 0.29 0.90 1.01 -1.26 -1.49 121.20 120.08 3ijx s ILE 111 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3ijx s ILE 111 Cb 0.01 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3ijx s ILE 111 CO -0.08 0.10 0.48 -0.94 0.00 0.00 0.00 174.94 174.49 3ijx s SER 112 N -0.82 0.27 -0.07 3.58 1.04 0.89 0.14 113.70 118.74 3ijx s SER 112 Ca 0.56 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3ijx s SER 112 Cb -0.36 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3ijx s SER 112 CO 0.47 -1.22 -0.15 -0.63 0.98 0.00 0.00 173.24 172.69 3ijx s ILE 113 N -3.57 2.97 -0.13 -1.02 1.01 -1.26 -0.86 121.20 118.35 3ijx s ILE 113 Ca 0.26 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3ijx s ILE 113 Cb -0.00 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3ijx s ILE 113 CO 0.13 0.57 -0.21 -0.32 0.00 0.00 0.00 174.94 175.12 3ijx s MET 114 N -0.45 3.10 0.31 2.79 -2.45 -0.56 -2.15 119.30 119.88 3ijx s MET 114 Ca 0.06 -0.83 0.09 0.00 -1.25 0.00 0.00 55.69 53.75 3ijx s MET 114 Cb -0.12 -2.44 -0.06 0.00 1.25 0.00 0.00 34.83 33.46 3ijx s MET 114 CO 0.02 0.08 -0.10 0.96 1.05 0.00 0.00 175.02 177.03 3ijx s ILE 115 N 0.61 2.03 -0.02 10.11 -4.36 -0.27 -1.81 121.20 127.49 3ijx s ILE 115 Ca -0.11 -2.20 -0.28 0.00 -0.26 0.00 0.00 60.65 57.80 3ijx s ILE 115 Cb -0.16 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 3ijx s ILE 115 CO 0.03 -0.28 0.89 -0.75 0.24 0.00 0.00 174.94 175.07 3ijx s LYS 116 N -3.64 4.52 0.19 0.37 2.20 -1.26 -0.18 119.74 121.93 3ijx s LYS 116 Ca 0.31 1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 3ijx s LYS 116 Cb 0.02 -3.46 -0.17 0.00 -1.51 0.00 0.00 37.83 32.71 3ijx s LYS 116 CO 0.14 -0.01 0.66 1.63 -0.36 0.00 0.00 175.35 177.40 3ijx n LYS 117 N 3.86 0.19 -0.70 4.03 5.02 -0.41 -2.23 118.16 127.92 3ijx n LYS 117 Ca 0.04 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3ijx n LYS 117 Cb 0.51 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3ijx n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijx n GLY 118 N 1.86 0.84 3.72 0.72 0.00 -1.26 -5.01 105.19 106.06 3ijx n GLY 118 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ijx n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijx s THR 119 N -3.32 3.90 -0.20 2.61 2.01 -0.95 -4.90 115.64 114.80 3ijx s THR 119 Ca 0.00 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.36 3ijx s THR 119 Cb 0.00 -3.90 -0.15 0.00 0.01 0.00 0.00 72.50 68.46 3ijx s THR 119 CO 0.00 0.13 2.45 -2.65 -0.69 0.00 0.00 174.62 173.86 3ijx n PRO 120 N 3.66 1.48 -4.63 4.92 -0.02 -1.26 -4.80 135.00 134.35 3ijx n PRO 120 Ca 0.08 -0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 60.50 3ijx n PRO 120 Cb 0.46 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.83 3ijx n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ijx s ILE 121 N 2.01 1.16 0.00 4.25 -1.09 -1.26 -5.02 121.20 121.25 3ijx s ILE 121 Ca 0.43 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3ijx s ILE 121 Cb 0.19 -1.03 0.00 0.00 -1.58 0.00 0.00 42.46 40.04 3ijx s ILE 121 CO -0.01 0.35 0.09 -0.62 -1.23 0.00 0.00 174.94 173.52 3ijx n GLU 122 N 3.45 5.35 -3.51 2.79 4.71 -1.26 -4.94 120.64 127.22 3ijx n GLU 122 Ca -0.20 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.16 56.77 3ijx n GLU 122 Cb 0.53 -0.57 -0.02 0.00 -1.01 0.00 0.00 31.44 30.37 3ijx n GLU 122 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3ijx s SER 123 N -0.79 -0.43 0.40 1.62 1.04 -1.26 -3.61 113.70 110.67 3ijx s SER 123 Ca 0.00 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.43 3ijx s SER 123 Cb 0.00 0.51 0.81 0.00 0.10 0.00 0.00 66.02 67.44 3ijx s SER 123 CO 0.00 -0.84 1.98 0.00 0.98 0.00 0.00 173.24 175.36 3ijx h ALA 124 N 2.00 1.59 0.85 5.32 0.00 -1.94 -1.87 119.26 125.20 3ijx h ALA 124 Ca -0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3ijx h ALA 124 Cb 1.27 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ijx h ALA 124 CO 0.33 0.31 -0.41 1.05 0.00 0.00 0.00 179.25 180.53 3ijx h GLU 125 N 0.38 -1.10 -0.90 0.00 -0.00 -1.95 -2.20 114.58 108.81 3ijx h GLU 125 Ca 0.09 0.07 0.11 0.00 -0.00 0.00 0.00 59.36 59.64 3ijx h GLU 125 Cb 0.18 0.25 -0.13 0.00 -0.00 0.00 0.00 28.75 29.05 3ijx h GLU 125 CO -0.00 -0.73 -0.44 -0.25 -0.00 0.00 0.00 179.01 177.59 3ijx n ASP 126 N -5.07 -0.77 -0.14 3.06 8.00 -1.00 -0.44 116.55 120.19 3ijx n ASP 126 Ca -0.14 1.58 -0.04 0.00 0.71 0.00 0.00 54.79 56.90 3ijx n ASP 126 Cb 0.45 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3ijx n ASP 126 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ijx h LEU 127 N 0.00 -0.66 -2.94 0.64 3.38 -1.31 -0.96 115.31 113.46 3ijx h LEU 127 Ca 0.23 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 3ijx h LEU 127 Cb 0.45 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ijx h LEU 127 CO -0.87 -0.22 -0.00 0.77 0.09 0.00 0.00 178.44 178.21 3ijx h SER 128 N -0.09 0.00 -0.54 -0.43 4.64 -0.09 -2.76 113.55 114.28 3ijx h SER 128 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ijx h SER 128 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3ijx h SER 128 CO -0.52 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.73 3ijx n LYS 129 N -3.12 2.33 -4.07 4.77 5.02 -0.36 -4.94 118.16 117.78 3ijx n LYS 129 Ca -0.03 -1.96 -0.12 0.00 -2.02 0.00 0.00 58.31 54.18 3ijx n LYS 129 Cb 0.07 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3ijx n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3ijx s GLN 130 N -1.33 1.71 0.00 1.97 1.03 -1.04 -5.08 119.66 116.92 3ijx s GLN 130 Ca 0.36 -1.57 0.00 0.00 0.04 0.00 0.00 55.36 54.19 3ijx s GLN 130 Cb 0.19 0.43 0.00 0.00 0.03 0.00 0.00 33.01 33.67 3ijx s GLN 130 CO 0.24 -0.70 0.00 -2.37 -2.54 0.00 0.00 175.29 169.92 3ijx n THR 131 N -0.47 0.00 -0.14 3.63 5.66 -1.26 -4.84 114.28 116.86 3ijx n THR 131 Ca 0.00 -0.03 -0.06 0.00 -3.05 0.00 0.00 64.05 60.91 3ijx n THR 131 Cb 0.62 0.30 0.10 0.00 -1.55 0.00 0.00 70.33 69.81 3ijx n THR 131 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3ijx h GLU 132 N 0.00 0.89 -4.68 1.09 4.22 -1.98 -3.41 114.58 110.71 3ijx h GLU 132 Ca 0.00 -0.27 -0.68 0.00 0.08 0.00 0.00 59.36 58.49 3ijx h GLU 132 Cb 0.00 -0.09 -0.20 0.00 0.50 0.00 0.00 28.75 28.96 3ijx h GLU 132 CO 0.00 0.90 -0.48 0.42 -2.18 0.00 0.00 179.01 177.67 3ijx s ILE 133 N -4.95 5.16 0.65 2.32 1.01 -1.26 -4.89 121.20 119.24 3ijx s ILE 133 Ca -0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3ijx s ILE 133 Cb 0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3ijx s ILE 133 CO 0.83 -0.06 1.04 0.00 0.00 0.00 0.00 174.94 176.76 3ijx s ALA 134 N 1.69 2.90 -0.20 9.38 0.00 -0.83 -4.85 121.76 129.86 3ijx s ALA 134 Ca 0.06 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 3ijx s ALA 134 Cb -0.18 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.87 3ijx s ALA 134 CO 0.10 -0.91 0.62 1.52 0.00 0.00 0.00 175.76 177.09 3ijx s TYR 135 N -3.06 -0.66 0.00 0.00 1.13 -1.26 -0.84 117.35 112.66 3ijx s TYR 135 Ca 0.57 1.55 0.00 0.00 -1.41 0.00 0.00 57.07 57.78 3ijx s TYR 135 Cb -0.12 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 3ijx s TYR 135 CO 0.53 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.60 3ijx n GLY 136 N 2.41 4.05 3.63 5.49 0.00 -1.16 -4.80 105.19 114.81 3ijx n GLY 136 Ca -0.15 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 3ijx n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ijx s THR 137 N -1.92 0.00 0.25 2.61 -4.23 -1.14 -0.74 115.64 110.47 3ijx s THR 137 Ca 0.00 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 58.85 3ijx s THR 137 Cb 0.00 -2.22 -0.13 0.00 1.34 0.00 0.00 72.50 71.49 3ijx s THR 137 CO 0.00 0.00 1.53 -0.11 -0.54 0.00 0.00 174.62 175.50 3ijx n LEU 138 N -0.41 3.64 -4.85 4.79 7.94 -1.26 -2.57 117.00 124.28 3ijx n LEU 138 Ca -0.02 1.13 -0.32 0.00 -1.11 0.00 0.00 56.01 55.69 3ijx n LEU 138 Cb 0.61 -1.50 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 3ijx n LEU 138 CO 0.22 -0.17 0.57 -0.62 -1.11 0.00 0.00 177.39 176.28 3ijx s ASP 139 N 0.52 6.65 -0.75 1.96 3.68 -0.47 -4.16 116.67 124.10 3ijx s ASP 139 Ca 0.68 1.42 0.00 0.00 2.13 0.00 0.00 52.55 56.78 3ijx s ASP 139 Cb -0.58 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 38.45 3ijx s ASP 139 CO 0.46 -0.46 0.00 -1.20 0.13 0.00 0.00 175.17 174.11 3ijx n SER 140 N -1.23 -3.66 -3.29 -0.34 7.64 -1.26 -4.91 113.62 106.56 3ijx n SER 140 Ca 0.05 0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.88 3ijx n SER 140 Cb 0.54 -2.03 -0.06 0.00 -1.01 0.00 0.00 64.21 61.64 3ijx n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ijx n GLY 141 N -1.88 3.27 0.44 0.23 0.00 -1.26 -3.60 105.19 102.39 3ijx n GLY 141 Ca -0.08 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 3ijx n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ijx h SER 142 N 1.50 -1.70 -0.89 1.61 0.02 -1.91 -2.58 113.55 109.60 3ijx h SER 142 Ca -0.24 0.23 0.16 0.00 -0.84 0.00 0.00 61.79 61.10 3ijx h SER 142 Cb 1.02 0.71 -0.10 0.00 0.14 0.00 0.00 62.40 64.17 3ijx h SER 142 CO 0.38 -0.41 0.47 0.74 -1.14 0.00 0.00 176.83 176.87 3ijx h THR 143 N -0.40 0.71 -0.28 -2.27 2.02 -1.97 0.31 112.91 111.02 3ijx h THR 143 Ca 0.09 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 3ijx h THR 143 Cb 0.61 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3ijx h THR 143 CO -0.57 0.12 -0.19 0.50 0.37 0.00 0.00 175.52 175.74 3ijx h LYS 144 N 0.64 0.63 -0.23 6.66 3.64 -1.70 -2.85 116.57 123.35 3ijx h LYS 144 Ca 0.49 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3ijx h LYS 144 Cb 0.73 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3ijx h LYS 144 CO -0.38 0.89 -0.26 0.93 -2.27 0.00 0.00 179.45 178.37 3ijx h GLU 145 N 0.37 0.44 -0.69 1.90 4.39 -0.72 -1.97 114.58 118.29 3ijx h GLU 145 Ca 0.06 -0.16 0.06 0.00 0.34 0.00 0.00 59.36 59.66 3ijx h GLU 145 Cb 0.74 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 3ijx h GLU 145 CO 0.05 0.66 0.38 0.35 -1.16 0.00 0.00 179.01 179.30 3ijx h PHE 146 N 0.39 0.70 0.00 4.33 3.57 -0.32 -2.43 116.94 123.18 3ijx h PHE 146 Ca 0.06 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 3ijx h PHE 146 Cb 0.66 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3ijx h PHE 146 CO 0.02 0.32 -0.55 0.74 -2.23 0.00 0.00 178.31 176.62 3ijx h PHE 147 N 0.69 0.00 -0.01 0.41 0.04 -1.24 -2.69 116.94 114.14 3ijx h PHE 147 Ca 0.31 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.96 3ijx h PHE 147 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3ijx h PHE 147 CO -0.08 0.55 -0.58 -0.09 -0.60 0.00 0.00 178.31 177.51 3ijx h ARG 148 N 0.00 0.02 -0.01 1.51 2.43 -0.88 -3.29 114.38 114.16 3ijx h ARG 148 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ijx h ARG 148 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3ijx h ARG 148 CO 0.07 0.60 -0.06 0.54 -1.51 0.00 0.00 179.97 179.61 3ijx n ARG 149 N -3.85 0.92 -2.06 0.20 1.74 -1.06 -5.01 116.66 107.53 3ijx n ARG 149 Ca -0.01 -0.86 -0.41 0.00 -0.77 0.00 0.00 57.85 55.80 3ijx n ARG 149 Cb 0.59 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.89 3ijx n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ijx s SER 150 N -0.91 6.65 0.00 0.55 0.15 -1.01 -4.92 113.70 114.22 3ijx s SER 150 Ca 0.09 2.74 0.18 0.00 0.70 0.00 0.00 55.95 59.66 3ijx s SER 150 Cb 0.07 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.80 3ijx s SER 150 CO 0.15 -0.62 1.00 0.29 1.20 0.00 0.00 173.24 175.25 3ijx n LYS 151 N 0.67 1.58 -2.38 5.44 4.76 -1.26 -4.45 118.16 122.51 3ijx n LYS 151 Ca 0.01 -1.23 -0.41 0.00 -2.87 0.00 0.00 58.31 53.81 3ijx n LYS 151 Cb 0.42 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 3ijx n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijx s ILE 152 N -1.79 3.44 0.06 -0.18 1.09 -1.26 -4.87 121.20 117.70 3ijx s ILE 152 Ca 0.18 1.32 -0.15 0.00 -1.10 0.00 0.00 60.65 60.91 3ijx s ILE 152 Cb 0.15 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 3ijx s ILE 152 CO 0.34 0.26 1.25 0.00 -0.10 0.00 0.00 174.94 176.69 3ijx h ALA 153 N 4.48 -0.46 -0.21 9.38 0.00 -1.99 0.40 119.26 130.86 3ijx h ALA 153 Ca -0.46 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3ijx h ALA 153 Cb 1.21 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 3ijx h ALA 153 CO 0.71 -0.59 0.16 0.28 0.00 0.00 0.00 179.25 179.80 3ijx h VAL 154 N -0.14 0.83 0.00 0.00 2.07 -1.97 -1.09 116.25 115.94 3ijx h VAL 154 Ca 0.04 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.37 3ijx h VAL 154 Cb 0.25 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3ijx h VAL 154 CO -0.30 0.00 -1.02 -0.26 0.02 0.00 0.00 177.57 176.01 3ijx h PHE 155 N 0.00 0.00 0.02 1.57 0.04 -1.57 -1.35 116.94 115.65 3ijx h PHE 155 Ca 0.10 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.65 3ijx h PHE 155 Cb 0.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3ijx h PHE 155 CO 0.00 0.80 -1.02 0.22 -0.60 0.00 0.00 178.31 177.70 3ijx h ASP 156 N 0.00 0.07 -0.37 2.17 3.58 -0.59 -0.90 116.42 120.39 3ijx h ASP 156 Ca -0.07 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 3ijx h ASP 156 Cb 1.67 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.68 3ijx h ASP 156 CO 0.09 1.04 -0.06 0.11 -2.88 0.00 0.00 179.24 177.55 3ijx h LYS 157 N 0.01 0.69 -0.49 0.28 6.56 -1.24 0.18 116.57 122.57 3ijx h LYS 157 Ca -0.03 -0.25 -0.05 0.00 -1.06 0.00 0.00 60.65 59.26 3ijx h LYS 157 Cb 1.77 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 33.36 3ijx h LYS 157 CO 0.14 0.83 0.10 0.52 -2.06 0.00 0.00 179.45 178.98 3ijx h MET 158 N 0.49 0.75 0.00 3.15 2.86 -1.28 -2.53 114.93 118.38 3ijx h MET 158 Ca 0.10 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 3ijx h MET 158 Cb 0.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3ijx h MET 158 CO 0.03 0.69 -0.75 2.35 1.06 0.00 0.00 176.91 180.30 3ijx h TRP 159 N 0.72 0.00 -0.22 -0.22 2.91 -0.56 -2.08 115.95 116.50 3ijx h TRP 159 Ca 0.16 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 60.00 3ijx h TRP 159 Cb 0.30 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.95 3ijx h TRP 159 CO 0.02 0.75 -0.57 1.15 -1.03 0.00 0.00 178.44 178.75 3ijx h THR 160 N 0.00 1.30 0.13 2.65 2.02 -0.43 -2.04 112.91 116.54 3ijx h THR 160 Ca -0.01 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 3ijx h THR 160 Cb 1.39 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 3ijx h THR 160 CO 0.10 0.57 -0.07 0.22 0.37 0.00 0.00 175.52 176.71 3ijx h TYR 161 N 0.53 -0.19 -0.70 3.16 3.20 -1.46 -3.20 116.97 118.31 3ijx h TYR 161 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3ijx h TYR 161 Cb 1.15 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.36 3ijx h TYR 161 CO 0.06 -0.11 -0.38 0.52 -1.64 0.00 0.00 178.16 176.61 3ijx h MET 162 N -0.18 -0.13 0.00 1.82 2.86 -1.41 -0.71 114.93 117.18 3ijx h MET 162 Ca -0.02 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ijx h MET 162 Cb 0.14 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3ijx h MET 162 CO 0.02 -0.09 -0.00 0.07 1.06 0.00 0.00 176.91 177.97 3ijx h ARG 163 N -0.13 0.00 0.00 1.72 0.11 -1.47 -2.71 114.38 111.90 3ijx h ARG 163 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 3ijx h ARG 163 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3ijx h ARG 163 CO -0.77 0.00 -0.60 0.45 0.10 0.00 0.00 179.97 179.16 3ijx n SER 164 N -3.19 0.73 -4.77 0.08 2.88 -0.39 -5.02 113.62 103.95 3ijx n SER 164 Ca -0.03 -0.66 -0.39 0.00 -1.33 0.00 0.00 58.87 56.47 3ijx n SER 164 Cb 0.10 1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.58 3ijx n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ijx s ALA 165 N -2.06 3.26 -0.03 -1.46 0.00 -0.52 -5.05 121.76 115.90 3ijx s ALA 165 Ca 0.03 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3ijx s ALA 165 Cb 0.08 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3ijx s ALA 165 CO 0.42 -0.39 0.07 -1.21 0.00 0.00 0.00 175.76 174.65 3ijx s GLU 166 N -2.01 0.04 0.88 0.00 0.41 -1.26 -4.02 118.70 112.74 3ijx s GLU 166 Ca 0.52 0.16 -0.11 0.00 -0.41 0.00 0.00 54.97 55.14 3ijx s GLU 166 Cb -0.31 -0.08 0.12 0.00 -1.78 0.00 0.00 34.13 32.09 3ijx s GLU 166 CO 0.40 -0.08 1.11 -2.14 -0.49 0.00 0.00 175.26 174.06 3ijx s PRO 167 N 0.50 1.34 0.32 0.39 0.02 -1.26 -5.07 135.00 131.24 3ijx s PRO 167 Ca -0.04 1.27 -0.26 0.00 0.02 0.00 0.00 61.00 61.99 3ijx s PRO 167 Cb -0.06 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 32.54 3ijx s PRO 167 CO -0.02 -2.31 0.68 0.45 -0.33 0.00 0.00 177.00 175.47 3ijx n SER 168 N -3.99 -0.30 -1.05 2.53 2.88 -1.26 -4.86 113.62 107.58 3ijx n SER 168 Ca 0.10 1.05 0.09 0.00 -1.33 0.00 0.00 58.87 58.78 3ijx n SER 168 Cb 0.53 -1.12 0.24 0.00 -0.75 0.00 0.00 64.21 63.10 3ijx n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3ijx n VAL 169 N -0.28 0.89 -3.74 2.46 0.24 -1.26 -4.95 118.33 111.68 3ijx n VAL 169 Ca 0.12 -0.94 -0.37 0.00 -2.04 0.00 0.00 64.34 61.11 3ijx n VAL 169 Cb 0.33 0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 33.24 3ijx n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3ijx s PHE 170 N -1.06 3.63 0.36 6.34 0.08 -1.26 -2.87 117.98 123.19 3ijx s PHE 170 Ca 0.37 0.68 0.08 0.00 0.12 0.00 0.00 56.93 58.18 3ijx s PHE 170 Cb 0.20 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3ijx s PHE 170 CO 0.26 0.68 0.17 0.14 -0.10 0.00 0.00 175.22 176.37 3ijx s VAL 171 N -0.96 2.85 -0.10 -0.44 -7.23 -1.06 -4.91 120.40 108.55 3ijx s VAL 171 Ca 0.18 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 3ijx s VAL 171 Cb -0.14 -2.98 -0.27 0.00 0.56 0.00 0.00 36.38 33.55 3ijx s VAL 171 CO 0.07 -0.13 0.47 0.08 -0.31 0.00 0.00 175.10 175.27 3ijx h ARG 172 N 1.49 0.28 -4.23 4.82 -0.00 -1.92 -1.24 114.38 113.58 3ijx h ARG 172 Ca -0.43 -0.47 -0.17 0.00 -0.00 0.00 0.00 59.98 58.90 3ijx h ARG 172 Cb 1.25 0.18 -0.18 0.00 -0.00 0.00 0.00 29.97 31.22 3ijx h ARG 172 CO 0.64 1.19 -0.70 0.95 -0.00 0.00 0.00 179.97 182.06 3ijx s THR 173 N -2.57 0.27 0.45 0.08 -4.23 -1.26 -4.69 115.64 103.70 3ijx s THR 173 Ca -0.19 -1.37 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 3ijx s THR 173 Cb 0.06 -0.91 0.37 0.00 1.34 0.00 0.00 72.50 73.36 3ijx s THR 173 CO 0.79 -0.70 1.93 0.74 -0.54 0.00 0.00 174.62 176.84 3ijx h THR 174 N 3.91 0.76 -0.52 3.99 2.02 -1.95 0.27 112.91 121.40 3ijx h THR 174 Ca -0.34 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 3ijx h THR 174 Cb 1.18 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3ijx h THR 174 CO 0.52 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 176.45 3ijx h ALA 175 N 1.66 0.70 0.00 6.16 0.00 -1.96 -1.27 119.26 124.55 3ijx h ALA 175 Ca 0.35 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ijx h ALA 175 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ijx h ALA 175 CO -0.09 0.53 -0.44 1.49 0.00 0.00 0.00 179.25 180.74 3ijx h GLU 176 N 0.80 0.00 0.85 0.00 4.81 -1.41 0.40 114.58 120.02 3ijx h GLU 176 Ca 0.14 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3ijx h GLU 176 Cb 0.55 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.94 3ijx h GLU 176 CO 0.03 0.44 -0.41 0.78 -0.73 0.00 0.00 179.01 179.12 3ijx h GLY 177 N 2.09 -1.19 0.52 1.92 0.00 -1.00 -2.19 103.07 103.21 3ijx h GLY 177 Ca -0.00 0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.87 3ijx h GLY 177 CO 0.06 -0.43 0.59 -2.08 0.00 0.00 0.00 176.54 174.67 3ijx h VAL 178 N -1.29 0.94 -0.61 4.60 2.07 -1.00 -0.64 116.25 120.31 3ijx h VAL 178 Ca -0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ijx h VAL 178 Cb 0.88 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3ijx h VAL 178 CO 0.19 0.18 0.37 0.00 0.02 0.00 0.00 177.57 178.32 3ijx h ALA 179 N 1.50 0.78 -0.81 1.67 0.00 -0.24 -2.35 119.26 119.82 3ijx h ALA 179 Ca 0.46 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3ijx h ALA 179 Cb 0.41 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3ijx h ALA 179 CO -0.25 0.26 0.37 -0.09 0.00 0.00 0.00 179.25 179.54 3ijx h ARG 180 N 0.83 1.18 -0.02 0.00 2.43 -0.49 -2.26 114.38 116.05 3ijx h ARG 180 Ca 0.22 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3ijx h ARG 180 Cb -0.02 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 3ijx h ARG 180 CO -0.04 0.92 -0.20 0.28 -1.51 0.00 0.00 179.97 179.42 3ijx h VAL 181 N 1.15 0.51 -0.57 0.20 2.07 -0.73 -2.46 116.25 116.43 3ijx h VAL 181 Ca 0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 3ijx h VAL 181 Cb 0.15 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3ijx h VAL 181 CO -0.03 0.00 0.28 0.03 0.02 0.00 0.00 177.57 177.87 3ijx h ARG 182 N -0.32 0.51 0.00 1.57 3.08 -1.23 -2.49 114.38 115.50 3ijx h ARG 182 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ijx h ARG 182 Cb 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3ijx h ARG 182 CO -0.20 0.34 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 3ijx n LYS 183 N -4.89 0.21 -0.09 0.04 5.02 -0.87 -3.82 118.16 113.76 3ijx n LYS 183 Ca 0.06 0.26 0.09 0.00 -2.02 0.00 0.00 58.31 56.70 3ijx n LYS 183 Cb 0.17 -1.79 0.34 0.00 -0.02 0.00 0.00 35.03 33.74 3ijx n LYS 183 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ijx n SER 184 N -2.17 1.53 -2.09 4.39 7.64 -0.93 -4.90 113.62 117.09 3ijx n SER 184 Ca 0.05 -1.74 -0.14 0.00 1.01 0.00 0.00 58.87 58.05 3ijx n SER 184 Cb 0.36 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3ijx n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ijx n LYS 185 N 0.25 -1.87 -0.09 1.43 5.02 -1.25 -1.21 118.16 120.44 3ijx n LYS 185 Ca 0.15 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3ijx n LYS 185 Cb 0.29 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3ijx n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijx n GLY 186 N -0.64 0.95 0.86 0.72 0.00 -1.26 -4.97 105.19 100.85 3ijx n GLY 186 Ca -0.15 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ijx n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijx n LYS 187 N -2.09 2.80 -3.58 1.61 4.76 -0.35 -4.88 118.16 116.43 3ijx n LYS 187 Ca 0.00 -2.84 -0.16 0.00 -2.87 0.00 0.00 58.31 52.44 3ijx n LYS 187 Cb 0.00 -1.83 -0.13 0.00 -1.84 0.00 0.00 35.03 31.23 3ijx n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3ijx s TYR 188 N -2.85 -0.34 0.23 2.13 5.04 -1.26 -1.97 117.35 118.33 3ijx s TYR 188 Ca 0.42 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 3ijx s TYR 188 Cb 0.34 -0.20 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 3ijx s TYR 188 CO 0.08 -0.45 0.43 0.00 -1.34 0.00 0.00 175.55 174.27 3ijx s ALA 189 N 2.37 3.79 -0.11 3.97 0.00 -0.02 -4.55 121.76 127.20 3ijx s ALA 189 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3ijx s ALA 189 Cb -0.14 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.95 3ijx s ALA 189 CO -0.10 0.37 -0.16 -0.47 0.00 0.00 0.00 175.76 175.40 3ijx s TYR 190 N -1.93 2.06 0.12 0.00 5.04 -0.75 -2.98 117.35 118.91 3ijx s TYR 190 Ca 0.39 -0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 53.85 3ijx s TYR 190 Cb -0.11 -1.48 -0.07 0.00 0.35 0.00 0.00 41.96 40.65 3ijx s TYR 190 CO 0.30 -0.50 0.61 -0.51 -1.34 0.00 0.00 175.55 174.10 3ijx s LEU 191 N 0.98 4.46 -0.04 6.97 1.43 0.08 -1.49 118.68 131.08 3ijx s LEU 191 Ca -0.06 1.27 -0.31 0.00 -1.03 0.00 0.00 54.13 54.00 3ijx s LEU 191 Cb -0.15 -3.13 0.12 0.00 0.03 0.00 0.00 46.19 43.06 3ijx s LEU 191 CO -0.02 0.19 1.33 -1.48 0.23 0.00 0.00 176.35 176.60 3ijx s LEU 192 N -1.46 -0.03 0.37 1.79 2.34 -0.04 -4.31 118.68 117.35 3ijx s LEU 192 Ca 0.34 -0.11 -0.25 0.00 0.06 0.00 0.00 54.13 54.16 3ijx s LEU 192 Cb -0.18 1.27 -0.09 0.00 -0.56 0.00 0.00 46.19 46.63 3ijx s LEU 192 CO 0.20 -0.22 1.09 -1.61 -1.06 0.00 0.00 176.35 174.75 3ijx s GLU 193 N -2.22 4.23 0.16 1.48 2.02 -1.26 -0.08 118.70 123.03 3ijx s GLU 193 Ca 0.18 1.65 -0.11 0.00 0.02 0.00 0.00 54.97 56.71 3ijx s GLU 193 Cb 0.04 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.61 3ijx s GLU 193 CO -0.04 -0.11 1.64 0.66 0.02 0.00 0.00 175.26 177.43 3ijx h SER 194 N 2.80 0.89 -0.90 -0.19 4.64 -1.59 -0.60 113.55 118.61 3ijx h SER 194 Ca -0.48 -0.27 0.14 0.00 -0.47 0.00 0.00 61.79 60.71 3ijx h SER 194 Cb 1.22 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.98 3ijx h SER 194 CO 0.63 0.94 0.51 0.71 -0.87 0.00 0.00 176.83 178.75 3ijx h THR 195 N 0.82 0.79 0.06 2.95 1.35 -1.87 0.53 112.91 117.53 3ijx h THR 195 Ca 0.17 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3ijx h THR 195 Cb 0.44 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3ijx h THR 195 CO 0.01 0.13 -0.03 0.24 -0.25 0.00 0.00 175.52 175.63 3ijx h MET 196 N 0.74 -0.08 -0.61 4.72 2.86 -1.72 -2.68 114.93 118.15 3ijx h MET 196 Ca 0.48 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.25 3ijx h MET 196 Cb 0.62 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.19 3ijx h MET 196 CO -0.33 0.49 -0.04 -0.97 1.06 0.00 0.00 176.91 177.12 3ijx h ASN 197 N -0.76 -0.35 -0.49 1.22 -0.73 -0.71 0.52 115.58 114.29 3ijx h ASN 197 Ca -0.01 0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.32 3ijx h ASN 197 Cb 0.61 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 3ijx h ASN 197 CO 0.01 -0.14 0.32 -0.33 -0.37 0.00 0.00 177.43 176.93 3ijx h GLU 198 N 0.08 0.66 -0.33 6.67 5.08 -0.01 -1.82 114.58 124.92 3ijx h GLU 198 Ca 0.32 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3ijx h GLU 198 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3ijx h GLU 198 CO -0.55 0.44 -0.41 -0.92 -1.00 0.00 0.00 179.01 176.57 3ijx h TYR 199 N 0.68 0.98 -0.16 4.33 3.20 -0.57 -3.20 116.97 122.24 3ijx h TYR 199 Ca 0.18 -0.30 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 3ijx h TYR 199 Cb -0.06 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 3ijx h TYR 199 CO 0.00 1.09 -0.19 0.82 -1.64 0.00 0.00 178.16 178.24 3ijx h ILE 200 N 0.67 1.35 0.00 1.81 1.08 -0.96 -2.79 117.51 118.67 3ijx h ILE 200 Ca 0.05 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 3ijx h ILE 200 Cb 0.98 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 3ijx h ILE 200 CO 0.09 0.41 0.89 1.21 -0.69 0.00 0.00 178.15 180.06 3ijx n GLU 201 N -4.50 0.02 -0.23 2.37 2.13 -0.71 -0.43 120.64 119.30 3ijx n GLU 201 Ca -0.06 0.76 0.08 0.00 0.66 0.00 0.00 57.16 58.60 3ijx n GLU 201 Cb 0.40 -2.42 0.14 0.00 0.27 0.00 0.00 31.44 29.82 3ijx n GLU 201 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3ijx n GLN 202 N -2.19 1.20 -4.94 5.31 1.13 -1.05 -4.85 117.38 111.99 3ijx n GLN 202 Ca 0.00 -2.56 -0.31 0.00 -1.94 0.00 0.00 57.00 52.19 3ijx n GLN 202 Cb 0.89 -1.40 -0.14 0.00 0.11 0.00 0.00 30.24 29.69 3ijx n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ijx s ARG 203 N -2.64 2.02 0.36 -1.09 1.81 0.43 -1.51 118.95 118.33 3ijx s ARG 203 Ca 0.30 -0.99 -0.25 0.00 -1.72 0.00 0.00 55.73 53.07 3ijx s ARG 203 Cb 0.27 -2.09 -0.13 0.00 -0.45 0.00 0.00 34.95 32.55 3ijx s ARG 203 CO 0.01 0.54 0.81 1.63 -0.68 0.00 0.00 175.30 177.61 3ijx n LYS 204 N 1.93 0.97 -1.04 3.54 5.02 -1.26 -0.54 118.16 126.77 3ijx n LYS 204 Ca -0.17 0.35 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 3ijx n LYS 204 Cb 0.52 -1.70 0.11 0.00 -0.02 0.00 0.00 35.03 33.94 3ijx n LYS 204 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ijx n PRO 205 N 0.56 2.12 -4.14 1.97 -0.05 -1.26 -4.98 135.00 129.23 3ijx n PRO 205 Ca 0.11 -2.47 -0.35 0.00 -0.05 0.00 0.00 63.50 60.75 3ijx n PRO 205 Cb 0.36 -1.97 -0.04 0.00 -0.05 0.00 0.00 33.50 31.80 3ijx n PRO 205 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ijx n ASP 207 N -2.68 0.75 -4.69 0.00 5.75 -1.26 -5.03 116.55 109.39 3ijx n ASP 207 Ca -0.25 -1.09 -0.23 0.00 -0.01 0.00 0.00 54.79 53.21 3ijx n ASP 207 Cb 0.65 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 3ijx n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ijx s THR 208 N -0.09 3.08 -0.13 2.12 -4.23 -1.26 -1.29 115.64 113.83 3ijx s THR 208 Ca 0.00 -1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 58.51 3ijx s THR 208 Cb 0.00 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.97 3ijx s THR 208 CO 0.00 -0.24 0.50 -0.32 -0.54 0.00 0.00 174.62 174.03 3ijx s MET 209 N -3.78 0.69 0.06 3.99 1.75 0.74 -4.69 119.30 118.07 3ijx s MET 209 Ca 0.35 0.46 -0.20 0.00 -1.25 0.00 0.00 55.69 55.05 3ijx s MET 209 Cb -0.03 0.33 -0.06 0.00 2.84 0.00 0.00 34.83 37.90 3ijx s MET 209 CO 0.21 -0.14 0.59 0.21 -0.65 0.00 0.00 175.02 175.24 3ijx s LYS 210 N -0.30 4.26 0.07 4.11 2.20 -1.26 -1.11 119.74 127.71 3ijx s LYS 210 Ca -0.05 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 3ijx s LYS 210 Cb -0.03 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3ijx s LYS 210 CO 0.03 0.57 -0.12 0.14 -0.36 0.00 0.00 175.35 175.60 3ijx s VAL 211 N -0.87 0.99 0.00 4.02 -7.23 -0.91 -4.99 120.40 111.40 3ijx s VAL 211 Ca 0.30 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3ijx s VAL 211 Cb -0.19 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3ijx s VAL 211 CO 0.19 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 3ijx n GLY 212 N 1.21 -0.46 3.99 2.32 0.00 -1.24 -4.19 105.19 106.82 3ijx n GLY 212 Ca -0.21 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 3ijx n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ijx s GLY 213 N -2.66 1.77 0.40 -0.02 0.00 -1.26 -5.00 107.32 100.55 3ijx s GLY 213 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 44.72 42.97 3ijx s GLY 213 CO 0.00 -1.34 1.18 -1.31 0.00 0.00 0.00 173.10 171.63 3ijx s ASN 214 N -4.28 6.53 -0.03 1.64 0.01 -1.26 -4.73 114.94 112.82 3ijx s ASN 214 Ca 0.51 2.38 0.08 0.00 -0.71 0.00 0.00 52.86 55.12 3ijx s ASN 214 Cb -0.10 -2.62 0.27 0.00 0.41 0.00 0.00 41.25 39.21 3ijx s ASN 214 CO 0.33 -0.67 1.14 0.18 -1.51 0.00 0.00 177.10 176.57 3ijx n LEU 215 N 0.13 1.92 0.00 0.60 4.32 0.12 -4.90 117.00 119.19 3ijx n LEU 215 Ca 0.04 -0.96 0.00 0.00 -0.02 0.00 0.00 56.01 55.07 3ijx n LEU 215 Cb 0.46 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3ijx n LEU 215 CO 0.51 0.38 0.01 -0.90 -1.22 0.00 0.00 177.39 176.18 3ijx n ASP 216 N 0.30 -0.01 -3.78 -1.43 5.75 -1.26 -4.89 116.55 111.23 3ijx n ASP 216 Ca 0.10 -1.00 -0.13 0.00 -0.01 0.00 0.00 54.79 53.75 3ijx n ASP 216 Cb 0.35 0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.32 3ijx n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3ijx s SER 217 N -1.02 -0.11 0.00 -1.12 0.01 -1.26 -4.40 113.70 105.79 3ijx s SER 217 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3ijx s SER 217 Cb -0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 3ijx s SER 217 CO -0.00 -0.10 0.00 2.29 0.41 0.00 0.00 173.24 175.83 3ijx n LYS 218 N 3.72 0.00 -3.81 12.44 2.85 0.11 -4.98 118.16 128.48 3ijx n LYS 218 Ca -0.21 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.96 3ijx n LYS 218 Cb 0.55 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.86 3ijx n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ijx s GLY 219 N -1.56 0.00 -0.04 2.58 0.00 -1.26 -0.61 107.32 106.43 3ijx s GLY 219 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 3ijx s GLY 219 CO 0.00 -0.59 0.43 -0.19 0.00 0.00 0.00 173.10 172.76 3ijx s TYR 220 N -3.40 3.66 0.08 1.90 2.02 -0.02 -2.29 117.35 119.30 3ijx s TYR 220 Ca 0.01 0.96 0.09 0.00 -0.37 0.00 0.00 57.07 57.76 3ijx s TYR 220 Cb 0.02 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3ijx s TYR 220 CO -0.09 0.48 -0.24 0.20 -1.57 0.00 0.00 175.55 174.33 3ijx s GLY 221 N -0.49 1.33 -0.04 0.71 0.00 -0.76 -0.60 107.32 107.47 3ijx s GLY 221 Ca 0.24 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 3ijx s GLY 221 CO 0.12 -1.22 1.03 -0.42 0.00 0.00 0.00 173.10 172.62 3ijx s ILE 222 N -0.97 4.71 -0.12 0.90 1.01 -1.26 -4.45 121.20 121.02 3ijx s ILE 222 Ca 0.10 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 62.70 3ijx s ILE 222 Cb -0.10 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3ijx s ILE 222 CO 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 174.94 174.97 3ijx s ALA 223 N 1.52 2.85 0.36 9.38 0.00 -0.90 -0.41 121.76 134.55 3ijx s ALA 223 Ca 0.51 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.66 3ijx s ALA 223 Cb -0.21 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.50 3ijx s ALA 223 CO 0.24 0.32 0.04 0.95 0.00 0.00 0.00 175.76 177.31 3ijx s THR 224 N 0.05 1.54 0.56 0.00 -4.23 -0.25 -0.81 115.64 112.51 3ijx s THR 224 Ca -0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 3ijx s THR 224 Cb -0.14 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3ijx s THR 224 CO 0.03 0.00 1.18 -2.84 -0.54 0.00 0.00 174.62 172.46 3ijx s PRO 225 N -3.81 3.19 0.10 3.99 0.02 -1.26 -0.88 135.00 136.34 3ijx s PRO 225 Ca 0.36 1.76 -0.35 0.00 0.02 0.00 0.00 61.00 62.79 3ijx s PRO 225 Cb 0.09 -2.01 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 3ijx s PRO 225 CO 0.17 -1.02 1.56 1.17 -0.33 0.00 0.00 177.00 178.55 3ijx n LYS 226 N -1.37 1.88 -1.08 5.54 3.00 -1.26 -0.81 118.16 124.06 3ijx n LYS 226 Ca 0.12 0.68 -0.03 0.00 -0.00 0.00 0.00 58.31 59.08 3ijx n LYS 226 Cb 0.50 -2.42 -0.01 0.00 0.00 0.00 0.00 35.03 33.09 3ijx n LYS 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ijx n GLY 227 N 3.35 0.39 3.63 3.14 0.00 -1.26 -5.00 105.19 109.45 3ijx n GLY 227 Ca 0.18 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3ijx n GLY 227 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ijx n SER 228 N -0.69 0.15 0.08 1.61 2.88 0.01 -4.96 113.62 112.71 3ijx n SER 228 Ca -0.03 0.47 -0.22 0.00 -1.33 0.00 0.00 58.87 57.76 3ijx n SER 228 Cb 0.39 -1.44 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 3ijx n SER 228 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3ijx h SER 229 N -1.48 0.60 -0.94 -3.46 4.64 -1.94 -3.33 113.55 107.64 3ijx h SER 229 Ca -0.44 -0.82 0.25 0.00 -0.47 0.00 0.00 61.79 60.31 3ijx h SER 229 Cb 1.28 -0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 3ijx h SER 229 CO 0.42 1.68 0.44 -0.07 -0.87 0.00 0.00 176.83 178.42 3ijx h LEU 230 N 0.10 0.37 -0.04 5.97 3.38 -1.95 -3.10 115.31 120.04 3ijx h LEU 230 Ca -0.30 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ijx h LEU 230 Cb 2.09 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.98 3ijx h LEU 230 CO 0.19 -0.05 -0.03 0.61 0.09 0.00 0.00 178.44 179.26 3ijx n GLY 231 N -1.33 -1.11 0.28 0.83 0.00 -1.25 -0.56 105.19 102.05 3ijx n GLY 231 Ca 0.25 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 3ijx n GLY 231 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3ijx h ASN 232 N 0.00 -0.82 -0.02 1.61 -1.24 -1.80 0.19 115.58 113.50 3ijx h ASN 232 Ca 0.01 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3ijx h ASN 232 Cb 0.02 0.39 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 3ijx h ASN 232 CO -0.04 -0.28 0.01 0.00 -1.29 0.00 0.00 177.43 175.82 3ijx h ALA 233 N 0.82 0.02 -0.31 1.57 0.00 -1.14 -0.92 119.26 119.29 3ijx h ALA 233 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ijx h ALA 233 Cb 0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3ijx h ALA 233 CO -0.42 -0.42 -0.05 0.28 0.00 0.00 0.00 179.25 178.65 3ijx h VAL 234 N -0.10 0.72 0.09 0.00 2.07 -0.66 0.50 116.25 118.88 3ijx h VAL 234 Ca 0.01 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3ijx h VAL 234 Cb 0.13 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3ijx h VAL 234 CO -0.00 0.01 -0.45 -1.13 0.02 0.00 0.00 177.57 176.02 3ijx h ASN 235 N 0.04 -1.33 -0.23 0.57 -1.24 -0.40 0.57 115.58 113.55 3ijx h ASN 235 Ca 0.15 0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.37 3ijx h ASN 235 Cb 0.22 0.50 -0.06 0.00 0.73 0.00 0.00 38.32 39.72 3ijx h ASN 235 CO -0.29 -0.50 -0.13 -0.07 -1.29 0.00 0.00 177.43 175.14 3ijx h LEU 236 N -0.66 -0.44 -0.95 0.34 3.38 -0.86 -1.54 115.31 114.58 3ijx h LEU 236 Ca 0.02 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.35 3ijx h LEU 236 Cb 0.70 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 3ijx h LEU 236 CO -0.27 -0.17 0.46 0.00 0.09 0.00 0.00 178.44 178.55 3ijx h ALA 237 N 1.07 1.64 -0.25 1.53 0.00 0.55 0.16 119.26 123.95 3ijx h ALA 237 Ca 0.13 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3ijx h ALA 237 Cb 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ijx h ALA 237 CO -0.30 -0.42 0.01 0.28 0.00 0.00 0.00 179.25 178.81 3ijx h VAL 238 N 0.38 1.25 -0.53 0.00 2.07 0.10 -0.47 116.25 119.05 3ijx h VAL 238 Ca 0.63 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3ijx h VAL 238 Cb 1.29 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3ijx h VAL 238 CO -0.57 0.28 0.29 -0.07 0.02 0.00 0.00 177.57 177.53 3ijx h LEU 239 N 0.23 0.44 0.20 2.57 -0.00 -0.43 -0.74 115.31 117.57 3ijx h LEU 239 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 3ijx h LEU 239 Cb 0.40 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 3ijx h LEU 239 CO 0.01 0.31 -0.36 0.50 -0.00 0.00 0.00 178.44 178.90 3ijx h LYS 240 N 0.57 -0.62 -0.15 1.13 1.63 -0.55 -2.10 116.57 116.48 3ijx h LYS 240 Ca 0.23 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 3ijx h LYS 240 Cb 0.10 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 3ijx h LYS 240 CO -0.14 -0.41 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.16 3ijx h LEU 241 N -0.64 -0.68 -0.48 5.20 3.38 -0.87 -1.23 115.31 119.99 3ijx h LEU 241 Ca 0.01 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3ijx h LEU 241 Cb 0.64 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 3ijx h LEU 241 CO -0.16 -0.27 -0.23 -1.28 0.09 0.00 0.00 178.44 176.59 3ijx h SER 242 N -0.27 -0.78 0.84 -0.43 0.87 -1.00 -1.20 113.55 111.58 3ijx h SER 242 Ca 0.11 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3ijx h SER 242 Cb 0.43 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3ijx h SER 242 CO -0.30 -0.25 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.19 3ijx h GLU 243 N -0.12 0.00 0.00 2.24 5.08 -1.11 -2.89 114.58 117.78 3ijx h GLU 243 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ijx h GLU 243 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ijx h GLU 243 CO -0.56 0.23 0.00 1.04 -1.00 0.00 0.00 179.01 178.72 3ijx n GLN 244 N -3.44 0.76 0.00 2.33 1.13 -0.46 -4.88 117.38 112.82 3ijx n GLN 244 Ca -0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3ijx n GLN 244 Cb 0.41 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3ijx n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ijx n GLY 245 N 0.77 3.10 0.44 1.08 0.00 -1.09 -4.90 105.19 104.59 3ijx n GLY 245 Ca 0.19 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.47 3ijx n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ijx h LEU 246 N 0.00 0.15 -0.50 0.99 5.85 -1.79 -1.89 115.31 118.12 3ijx h LEU 246 Ca 0.00 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 3ijx h LEU 246 Cb 0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3ijx h LEU 246 CO 0.00 0.05 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.36 3ijx h LEU 247 N 0.15 0.22 -0.08 2.25 3.38 -1.82 -0.94 115.31 118.46 3ijx h LEU 247 Ca 0.45 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 3ijx h LEU 247 Cb 1.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3ijx h LEU 247 CO -0.08 0.86 -0.28 0.44 0.09 0.00 0.00 178.44 179.47 3ijx h ASP 248 N 0.12 0.38 -0.99 -0.43 3.32 -1.69 -2.84 116.42 114.29 3ijx h ASP 248 Ca -0.02 -0.62 0.15 0.00 0.02 0.00 0.00 57.03 56.55 3ijx h ASP 248 Cb 1.28 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 3ijx h ASP 248 CO 0.11 0.94 0.62 0.50 -1.72 0.00 0.00 179.24 179.69 3ijx h LYS 249 N -0.16 0.84 -0.05 3.56 3.64 -1.36 -1.61 116.57 121.43 3ijx h LYS 249 Ca -0.01 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 3ijx h LYS 249 Cb 0.92 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3ijx h LYS 249 CO 0.06 0.55 -0.89 1.25 -2.27 0.00 0.00 179.45 178.16 3ijx h LEU 250 N 0.86 0.68 -0.50 5.20 5.85 -1.16 -1.85 115.31 124.40 3ijx h LEU 250 Ca 0.52 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ijx h LEU 250 Cb 0.68 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ijx h LEU 250 CO -0.29 1.29 0.32 0.50 -0.34 0.00 0.00 178.44 179.92 3ijx h LYS 251 N 0.33 0.66 -0.52 1.25 3.64 -1.23 -2.67 116.57 118.03 3ijx h LYS 251 Ca -0.07 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3ijx h LYS 251 Cb 1.51 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 3ijx h LYS 251 CO 0.16 0.45 0.25 -0.91 -2.27 0.00 0.00 179.45 177.14 3ijx h ASN 252 N 0.67 0.34 -0.68 4.20 2.35 -1.08 0.15 115.58 121.52 3ijx h ASN 252 Ca 0.18 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 56.04 3ijx h ASN 252 Cb -0.05 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 3ijx h ASN 252 CO -0.04 0.23 0.37 0.50 -1.65 0.00 0.00 177.43 176.84 3ijx h LYS 253 N 0.48 0.64 0.00 0.81 3.64 -1.14 0.36 116.57 121.37 3ijx h LYS 253 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ijx h LYS 253 Cb 0.18 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3ijx h LYS 253 CO -0.19 0.43 -1.38 0.91 -2.27 0.00 0.00 179.45 176.95 3ijx n TRP 254 N -4.81 0.00 -0.13 1.91 7.02 -0.95 -3.97 117.44 116.50 3ijx n TRP 254 Ca 0.09 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.30 3ijx n TRP 254 Cb 0.20 -0.22 -0.09 0.00 -2.42 0.00 0.00 31.31 28.78 3ijx n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3ijx n TRP 255 N -1.80 0.00 -0.10 -5.99 8.01 0.48 -4.76 117.44 113.28 3ijx n TRP 255 Ca 0.00 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 3ijx n TRP 255 Cb 0.40 -0.93 -0.08 0.00 -2.01 0.00 0.00 31.31 28.69 3ijx n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3ijx n TYR 256 N -4.28 0.00 0.04 -5.99 4.01 -0.56 -3.79 117.16 106.59 3ijx n TYR 256 Ca -0.49 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.45 3ijx n TYR 256 Cb 0.84 -0.74 0.72 0.00 -0.31 0.00 0.00 39.34 39.85 3ijx n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3ijx h ASP 257 N -0.19 0.00 1.15 7.72 5.19 -1.14 -2.42 116.42 126.73 3ijx h ASP 257 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3ijx h ASP 257 Cb 1.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.12 3ijx h ASP 257 CO -0.13 0.00 -0.57 0.11 -3.12 0.00 0.00 179.24 175.52 3ijx h LYS 258 N 0.00 0.00 -4.42 3.56 1.57 -1.72 -3.49 116.57 112.07 3ijx h LYS 258 Ca 0.22 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.53 3ijx h LYS 258 Cb 0.96 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.37 3ijx h LYS 258 CO -0.00 0.00 -0.60 0.41 -0.57 0.00 0.00 179.45 178.69 3ijx n GLY 259 N 1.25 -1.79 0.00 3.86 0.00 -0.91 -4.94 105.19 102.66 3ijx n GLY 259 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ijx n GLY 259 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ijx n GLU 260 N 0.91 4.45 0.00 1.61 1.02 -0.57 -5.06 120.64 123.00 3ijx n GLU 260 Ca 0.10 -0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.28 3ijx n GLU 260 Cb 0.26 -0.43 0.08 0.00 -0.02 0.00 0.00 31.44 31.32 3ijx n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31