#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx h SER 0 N 0.00 0.00 -0.04 1.61 4.64 -2.05 -1.62 113.55 116.09 3gjx h SER 0 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gjx h SER 0 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gjx h SER 0 CO 0.00 0.40 -0.11 0.24 -0.87 0.00 0.00 176.83 176.49 3gjx h MET 1 N 0.00 0.15 -0.67 4.77 0.00 -2.05 -2.08 114.93 115.06 3gjx h MET 1 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 59.70 59.51 3gjx h MET 1 Cb 0.86 0.02 -0.03 0.00 0.00 0.00 0.00 31.60 32.45 3gjx h MET 1 CO 0.05 0.71 0.11 1.49 0.00 0.00 0.00 176.91 179.28 3gjx h GLU 2 N -0.38 1.09 -0.80 1.72 4.22 -1.95 0.10 114.58 118.58 3gjx h GLU 2 Ca -0.00 -0.29 -0.03 0.00 0.08 0.00 0.00 59.36 59.12 3gjx h GLU 2 Cb 0.72 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3gjx h GLU 2 CO 0.02 1.00 0.40 0.93 -2.18 0.00 0.00 179.01 179.18 3gjx h GLU 3 N 1.02 1.15 0.18 1.92 4.39 -1.39 -0.33 114.58 121.52 3gjx h GLU 3 Ca 0.20 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3gjx h GLU 3 Cb 0.43 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3gjx h GLU 3 CO 0.01 0.88 -0.08 1.25 -1.16 0.00 0.00 179.01 179.91 3gjx h LEU 4 N 1.13 -0.20 -0.82 1.33 5.85 -0.69 -0.21 115.31 121.71 3gjx h LEU 4 Ca 0.28 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3gjx h LEU 4 Cb 0.10 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3gjx h LEU 4 CO -0.04 -0.04 0.49 -1.28 -0.34 0.00 0.00 178.44 177.23 3gjx h SER 5 N -0.35 0.74 1.07 1.25 0.87 -0.66 0.14 113.55 116.62 3gjx h SER 5 Ca -0.02 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3gjx h SER 5 Cb 0.27 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3gjx h SER 5 CO 0.04 0.46 -0.31 1.56 -0.53 0.00 0.00 176.83 178.05 3gjx h GLN 6 N 0.87 0.00 -0.00 2.24 1.08 -0.81 -2.38 115.11 116.11 3gjx h GLN 6 Ca 0.37 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.43 3gjx h GLN 6 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3gjx h GLN 6 CO -0.20 0.31 -0.53 0.00 -0.95 0.00 0.00 178.83 177.46 3gjx h ALA 7 N 1.69 0.07 -0.57 3.87 0.00 0.07 -2.72 119.26 121.67 3gjx h ALA 7 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3gjx h ALA 7 Cb 0.93 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3gjx h ALA 7 CO 0.04 0.30 0.33 1.25 0.00 0.00 0.00 179.25 181.17 3gjx h LEU 8 N -0.17 0.70 -0.21 0.00 6.46 -0.73 -0.94 115.31 120.42 3gjx h LEU 8 Ca -0.07 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3gjx h LEU 8 Cb 1.25 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3gjx h LEU 8 CO 0.11 0.58 0.04 0.00 -0.62 0.00 0.00 178.44 178.54 3gjx h ALA 9 N 1.15 0.28 -0.01 1.25 0.00 -1.54 -3.37 119.26 117.02 3gjx h ALA 9 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gjx h ALA 9 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gjx h ALA 9 CO -0.03 -0.05 -0.41 0.43 0.00 0.00 0.00 179.25 179.19 3gjx n SER 10 N -4.73 1.65 -2.96 0.00 7.64 -1.02 -4.59 113.62 109.61 3gjx n SER 10 Ca -0.04 -1.33 -0.14 0.00 1.01 0.00 0.00 58.87 58.38 3gjx n SER 10 Cb 0.19 0.52 0.01 0.00 -1.01 0.00 0.00 64.21 63.92 3gjx n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gjx n SER 11 N -0.21 0.34 -3.26 6.43 7.64 -0.37 -3.59 113.62 120.60 3gjx n SER 11 Ca 0.07 -3.00 -0.04 0.00 1.01 0.00 0.00 58.87 56.90 3gjx n SER 11 Cb 0.36 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 3gjx n SER 11 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3gjx s PHE 12 N -2.04 -1.24 -0.20 1.43 5.36 -1.26 -4.83 117.98 115.20 3gjx s PHE 12 Ca 0.33 0.80 -0.27 0.00 -0.96 0.00 0.00 56.93 56.84 3gjx s PHE 12 Cb 0.37 0.09 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 3gjx s PHE 12 CO -0.05 -0.93 0.72 0.45 -1.46 0.00 0.00 175.22 173.95 3gjx s SER 13 N 2.65 -0.71 -0.12 6.13 0.15 -1.26 -4.99 113.70 115.56 3gjx s SER 13 Ca 0.12 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.98 3gjx s SER 13 Cb -0.13 1.16 -0.24 0.00 -1.71 0.00 0.00 66.02 65.10 3gjx s SER 13 CO -0.25 -0.35 0.36 0.52 1.20 0.00 0.00 173.24 174.72 3gjx n VAL 14 N 2.13 1.69 -0.01 4.45 0.31 -1.26 -4.51 118.33 121.13 3gjx n VAL 14 Ca -0.15 -0.69 0.10 0.00 -0.01 0.00 0.00 64.34 63.58 3gjx n VAL 14 Cb 0.56 -1.47 -0.17 0.00 -0.91 0.00 0.00 33.84 31.85 3gjx n VAL 14 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gjx n SER 15 N -3.32 0.12 -3.80 4.52 3.41 -1.26 -5.01 113.62 108.28 3gjx n SER 15 Ca -0.30 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.05 3gjx n SER 15 Cb 1.05 1.92 0.04 0.00 -0.26 0.00 0.00 64.21 66.96 3gjx n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gjx n GLN 16 N -2.27 -5.72 -4.03 4.33 6.02 -1.26 -4.99 117.38 109.47 3gjx n GLN 16 Ca -0.05 0.64 -0.26 0.00 -0.01 0.00 0.00 57.00 57.32 3gjx n GLN 16 Cb 0.59 -5.47 -0.04 0.00 1.02 0.00 0.00 30.24 26.34 3gjx n GLN 16 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3gjx s ASP 17 N -3.63 5.84 0.19 1.08 1.47 -1.26 -5.05 116.67 115.30 3gjx s ASP 17 Ca 0.45 -0.02 -0.30 0.00 1.18 0.00 0.00 52.55 53.87 3gjx s ASP 17 Cb -0.22 -1.62 -0.08 0.00 -0.34 0.00 0.00 42.92 40.66 3gjx s ASP 17 CO 0.81 0.06 1.00 -0.76 0.68 0.00 0.00 175.17 176.95 3gjx s LEU 18 N -3.18 4.56 -1.47 2.11 1.43 -1.23 -3.91 118.68 116.98 3gjx s LEU 18 Ca 0.32 1.96 -0.10 0.00 -1.03 0.00 0.00 54.13 55.29 3gjx s LEU 18 Cb -0.10 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3gjx s LEU 18 CO 0.25 -0.02 0.87 0.59 0.23 0.00 0.00 176.35 178.27 3gjx n ASN 19 N 2.06 -3.53 -4.77 2.29 5.03 -0.76 -4.80 115.26 110.78 3gjx n ASN 19 Ca 0.00 -0.81 -0.41 0.00 0.87 0.00 0.00 54.58 54.24 3gjx n ASN 19 Cb 0.47 -3.84 -0.02 0.00 -1.02 0.00 0.00 39.78 35.37 3gjx n ASN 19 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3gjx s SER 20 N -3.65 6.69 0.00 6.41 0.15 -1.25 -1.95 113.70 120.09 3gjx s SER 20 Ca 0.45 2.71 0.31 0.00 0.70 0.00 0.00 55.95 60.12 3gjx s SER 20 Cb -0.23 -2.65 1.71 0.00 -1.71 0.00 0.00 66.02 63.15 3gjx s SER 20 CO 0.83 -0.60 2.13 0.35 1.20 0.00 0.00 173.24 177.16 3gjx n THR 21 N 0.69 0.00 0.24 6.45 -2.24 -1.26 -2.51 114.28 115.65 3gjx n THR 21 Ca 0.00 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3gjx n THR 21 Cb 0.42 -0.43 0.61 0.00 -2.10 0.00 0.00 70.33 68.83 3gjx n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx h ALA 22 N 3.81 1.27 -2.05 6.98 0.00 -1.96 -3.43 119.26 123.88 3gjx h ALA 22 Ca 0.00 -0.16 -0.56 0.00 0.00 0.00 0.00 54.91 54.18 3gjx h ALA 22 Cb 0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 3gjx h ALA 22 CO 0.00 0.23 -0.62 0.00 0.00 0.00 0.00 179.25 178.86 3gjx s ALA 23 N -4.11 3.23 0.90 0.00 0.00 -1.04 -5.13 121.76 115.61 3gjx s ALA 23 Ca -0.02 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 3gjx s ALA 23 Cb 0.13 -0.62 0.13 0.00 0.00 0.00 0.00 23.12 22.76 3gjx s ALA 23 CO 0.62 0.16 1.11 -2.14 0.00 0.00 0.00 175.76 175.50 3gjx s PRO 24 N -3.72 1.19 0.10 0.00 0.02 -1.26 -4.86 135.00 126.48 3gjx s PRO 24 Ca 0.34 1.22 -0.36 0.00 0.02 0.00 0.00 61.00 62.22 3gjx s PRO 24 Cb -0.04 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.56 3gjx s PRO 24 CO 0.20 -2.40 1.47 1.58 -0.33 0.00 0.00 177.00 177.52 3gjx n HIS 25 N -4.05 1.87 0.10 6.54 -0.00 -1.26 -4.80 115.22 113.63 3gjx n HIS 25 Ca 0.09 0.46 0.07 0.00 0.46 0.00 0.00 57.72 58.81 3gjx n HIS 25 Cb 0.53 -2.43 0.38 0.00 -0.12 0.00 0.00 29.99 28.35 3gjx n HIS 25 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3gjx n PRO 26 N 3.11 0.09 0.27 1.57 -0.02 -1.26 -0.54 135.00 138.22 3gjx n PRO 26 Ca 0.18 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 3gjx n PRO 26 Cb 0.23 -1.80 0.73 0.00 -0.02 0.00 0.00 33.50 32.65 3gjx n PRO 26 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gjx h ARG 27 N 0.00 0.00 -1.26 -0.52 2.43 -2.03 -2.91 114.38 110.09 3gjx h ARG 27 Ca 0.00 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 3gjx h ARG 27 Cb 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 3gjx h ARG 27 CO 0.00 0.10 0.65 1.28 -1.51 0.00 0.00 179.97 180.50 3gjx n LEU 28 N -3.44 7.20 -2.77 3.80 4.77 0.30 -4.66 117.00 122.19 3gjx n LEU 28 Ca -0.01 -4.53 -0.10 0.00 -0.03 0.00 0.00 56.01 51.34 3gjx n LEU 28 Cb 0.26 -0.90 0.07 0.00 -2.33 0.00 0.00 43.42 40.51 3gjx n LEU 28 CO 0.29 1.66 0.25 -0.24 -1.33 0.00 0.00 177.39 178.02 3gjx n SER 29 N -0.77 -2.29 -1.93 -1.43 2.88 -1.10 -4.96 113.62 104.01 3gjx n SER 29 Ca 0.57 -3.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 3gjx n SER 29 Cb 0.58 1.71 0.00 0.00 -0.75 0.00 0.00 64.21 65.76 3gjx n SER 29 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3gjx n GLN 30 N 0.77 0.00 0.07 -1.46 -0.06 -1.26 -5.04 117.38 110.40 3gjx n GLN 30 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 3gjx n GLN 30 Cb 0.67 -0.38 0.00 0.00 -4.06 0.00 0.00 30.24 26.48 3gjx n GLN 30 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3gjx n LYS 34 N 0.80 0.00 0.05 3.69 3.00 -1.26 -5.21 118.16 119.23 3gjx n LYS 34 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 3gjx n LYS 34 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 3gjx n LYS 34 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3gjx h TYR 35 N 0.00 0.00 -0.66 5.64 -0.00 -1.96 -2.71 116.97 117.27 3gjx h TYR 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3gjx h TYR 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3gjx h TYR 35 CO 0.00 0.73 0.00 0.43 -0.00 0.00 0.00 178.16 179.32 3gjx n SER 36 N -3.10 4.33 -4.82 -2.11 7.64 -1.26 -4.89 113.62 109.41 3gjx n SER 36 Ca -0.06 -2.28 -0.22 0.00 1.01 0.00 0.00 58.87 57.32 3gjx n SER 36 Cb 0.88 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3gjx n SER 36 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gjx s SER 37 N -0.92 4.89 -0.27 6.43 0.15 -1.02 -1.83 113.70 121.14 3gjx s SER 37 Ca 0.49 -0.79 -0.26 0.00 0.70 0.00 0.00 55.95 56.09 3gjx s SER 37 Cb 0.29 -0.63 0.14 0.00 -1.71 0.00 0.00 66.02 64.11 3gjx s SER 37 CO 0.27 -0.54 1.11 -0.22 1.20 0.00 0.00 173.24 175.06 3gjx s LEU 38 N -4.02 -0.36 0.00 3.45 2.96 -1.26 -4.84 118.68 114.61 3gjx s LEU 38 Ca 0.44 0.64 0.28 0.00 -0.22 0.00 0.00 54.13 55.27 3gjx s LEU 38 Cb -0.02 1.73 1.01 0.00 0.50 0.00 0.00 46.19 49.41 3gjx s LEU 38 CO 0.26 -0.15 1.72 -0.62 -1.32 0.00 0.00 176.35 176.24 3gjx n GLU 39 N 1.83 1.43 -4.30 1.98 1.02 -1.26 -4.87 120.64 116.46 3gjx n GLU 39 Ca -0.11 -0.81 -0.34 0.00 -0.02 0.00 0.00 57.16 55.88 3gjx n GLU 39 Cb 0.56 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 3gjx n GLU 39 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gjx s GLN 40 N -2.13 3.56 0.00 3.49 -0.21 -1.26 -4.41 119.66 118.70 3gjx s GLN 40 Ca 0.35 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.28 3gjx s GLN 40 Cb 0.21 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 31.27 3gjx s GLN 40 CO 0.38 0.37 0.00 0.43 -2.12 0.00 0.00 175.29 174.36 3gjx n SER 41 N 3.16 0.00 -0.11 5.90 7.64 -1.26 -4.85 113.62 124.10 3gjx n SER 41 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.65 3gjx n SER 41 Cb 0.53 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3gjx n SER 41 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3gjx h GLU 42 N 0.00 0.09 0.40 1.43 4.11 -1.91 -1.23 114.58 117.47 3gjx h GLU 42 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 3gjx h GLU 42 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gjx h GLU 42 CO 0.00 0.06 -0.19 0.00 0.07 0.00 0.00 179.01 178.94 3gjx h ARG 43 N 0.09 -0.52 -0.54 1.06 3.08 -2.00 -2.37 114.38 113.18 3gjx h ARG 43 Ca 0.18 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.37 3gjx h ARG 43 Cb 0.26 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3gjx h ARG 43 CO -0.31 -0.25 0.37 0.00 -1.07 0.00 0.00 179.97 178.70 3gjx h ARG 44 N -0.74 0.30 -0.05 0.04 3.08 -1.86 -1.28 114.38 113.88 3gjx h ARG 44 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gjx h ARG 44 Cb 0.51 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3gjx h ARG 44 CO 0.09 0.20 0.03 0.00 -1.07 0.00 0.00 179.97 179.22 3gjx h ARG 45 N 0.31 0.07 -0.81 0.04 3.08 -0.99 -1.81 114.38 114.27 3gjx h ARG 45 Ca 0.25 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.30 3gjx h ARG 45 Cb 0.58 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3gjx h ARG 45 CO -0.06 0.11 0.53 0.00 -1.07 0.00 0.00 179.97 179.49 3gjx h ARG 46 N 0.00 1.05 -0.15 0.04 3.08 -0.73 -1.83 114.38 115.84 3gjx h ARG 46 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3gjx h ARG 46 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3gjx h ARG 46 CO -0.00 0.70 0.09 1.25 -1.07 0.00 0.00 179.97 180.93 3gjx h LEU 47 N 1.09 0.18 -0.73 3.04 5.85 -1.29 -0.13 115.31 123.32 3gjx h LEU 47 Ca 0.30 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3gjx h LEU 47 Cb -0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3gjx h LEU 47 CO -0.07 0.19 0.09 -0.07 -0.34 0.00 0.00 178.44 178.23 3gjx h LEU 48 N 0.16 1.01 -0.33 2.25 3.38 -0.94 0.15 115.31 120.99 3gjx h LEU 48 Ca 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3gjx h LEU 48 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3gjx h LEU 48 CO -0.01 1.01 0.02 -0.33 0.09 0.00 0.00 178.44 179.23 3gjx h GLU 49 N 0.98 0.57 -0.14 1.13 5.08 -1.22 -1.93 114.58 119.06 3gjx h GLU 49 Ca 0.19 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3gjx h GLU 49 Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3gjx h GLU 49 CO 0.01 0.68 0.16 -0.07 -1.00 0.00 0.00 179.01 178.79 3gjx h LEU 50 N 0.39 0.00 0.00 1.33 3.38 -0.48 -2.36 115.31 117.57 3gjx h LEU 50 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gjx h LEU 50 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gjx h LEU 50 CO 0.01 0.00 -0.06 1.56 0.09 0.00 0.00 178.44 180.04 3gjx h GLN 51 N 0.00 0.00 -2.53 1.13 1.08 0.09 -3.40 115.11 111.48 3gjx h GLN 51 Ca 0.06 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 3gjx h GLN 51 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 3gjx h GLN 51 CO -0.00 0.00 0.16 1.63 -0.95 0.00 0.00 178.83 179.67 3gjx n LYS 52 N -2.45 1.09 0.00 1.46 5.02 -0.89 -4.39 118.16 118.00 3gjx n LYS 52 Ca 0.05 -0.56 0.15 0.00 -2.02 0.00 0.00 58.31 55.93 3gjx n LYS 52 Cb 0.46 -1.79 0.89 0.00 -0.02 0.00 0.00 35.03 34.56 3gjx n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gjx n SER 53 N 2.82 0.00 -2.87 4.39 2.88 -1.26 -4.96 113.62 114.61 3gjx n SER 53 Ca 0.23 -0.91 -0.06 0.00 -1.33 0.00 0.00 58.87 56.80 3gjx n SER 53 Cb 0.46 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 3gjx n SER 53 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gjx n LYS 54 N -1.01 -2.11 0.00 -1.46 4.01 -1.26 -5.00 118.16 111.33 3gjx n LYS 54 Ca 0.22 1.96 0.01 0.00 -0.51 0.00 0.00 58.31 59.99 3gjx n LYS 54 Cb 0.11 -5.63 -0.01 0.00 -0.51 0.00 0.00 35.03 29.00 3gjx n LYS 54 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3gjx n ARG 55 N -0.63 3.86 -3.37 1.97 1.74 -1.26 -5.02 116.66 113.96 3gjx n ARG 55 Ca 0.09 -0.23 -0.33 0.00 -0.77 0.00 0.00 57.85 56.62 3gjx n ARG 55 Cb 0.46 -0.76 -0.06 0.00 -1.02 0.00 0.00 32.46 31.08 3gjx n ARG 55 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gjx s LEU 56 N -1.47 4.20 -1.07 0.55 1.43 -1.26 -5.03 118.68 116.03 3gjx s LEU 56 Ca 0.02 1.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 3gjx s LEU 56 Cb 0.02 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.79 3gjx s LEU 56 CO 0.08 -0.04 1.24 -0.62 0.23 0.00 0.00 176.35 177.24 3gjx s ASP 57 N -2.19 6.92 0.24 2.29 2.15 -1.26 -4.81 116.67 120.02 3gjx s ASP 57 Ca 0.46 -2.71 0.23 0.00 0.43 0.00 0.00 52.55 50.96 3gjx s ASP 57 Cb -0.12 -2.37 0.95 0.00 -0.30 0.00 0.00 42.92 41.09 3gjx s ASP 57 CO 0.20 -0.79 1.71 -1.22 -0.17 0.00 0.00 175.17 174.90 3gjx n TYR 58 N 5.52 0.79 -0.05 -5.34 4.01 -1.26 -1.78 117.16 119.04 3gjx n TYR 58 Ca 0.29 0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 58.21 3gjx n TYR 58 Cb 0.45 -0.99 -0.06 0.00 -0.31 0.00 0.00 39.34 38.43 3gjx n TYR 58 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3gjx h VAL 59 N 0.00 1.27 0.00 -0.72 2.07 -1.96 -1.82 116.25 115.09 3gjx h VAL 59 Ca 0.00 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 3gjx h VAL 59 Cb 0.39 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3gjx h VAL 59 CO 0.00 0.27 -0.50 -1.13 0.02 0.00 0.00 177.57 176.23 3gjx h ASN 60 N 0.01 0.00 0.13 0.57 -1.24 -1.76 -2.98 115.58 110.30 3gjx h ASN 60 Ca 0.04 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.79 3gjx h ASN 60 Cb 0.43 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.50 3gjx h ASN 60 CO 0.01 0.50 -1.12 -0.74 -1.29 0.00 0.00 177.43 174.80 3gjx h HIS 61 N 0.00 0.88 0.00 0.67 2.76 -1.37 -2.51 115.15 115.58 3gjx h HIS 61 Ca -0.01 -0.57 -0.01 0.00 -2.20 0.00 0.00 60.37 57.59 3gjx h HIS 61 Cb 1.20 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 3gjx h HIS 61 CO 0.00 1.42 -0.03 0.00 -1.30 0.00 0.00 177.93 178.02 3gjx h ALA 62 N 0.23 1.74 -0.10 5.26 0.00 -1.39 -2.31 119.26 122.69 3gjx h ALA 62 Ca -0.18 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3gjx h ALA 62 Cb 1.82 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.62 3gjx h ALA 62 CO 0.21 0.03 -0.72 -0.09 0.00 0.00 0.00 179.25 178.69 3gjx h ARG 63 N 0.00 0.66 -0.35 0.00 2.43 -1.46 -2.55 114.38 113.10 3gjx h ARG 63 Ca -0.00 -0.58 -0.01 0.00 -0.81 0.00 0.00 59.98 58.58 3gjx h ARG 63 Cb 0.06 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3gjx h ARG 63 CO 0.00 1.19 0.17 0.00 -1.51 0.00 0.00 179.97 179.83 3gjx h ARG 64 N 0.32 0.51 -0.56 0.20 3.08 -0.97 -0.07 114.38 116.88 3gjx h ARG 64 Ca -0.06 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 59.95 3gjx h ARG 64 Cb 1.37 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3gjx h ARG 64 CO 0.15 0.46 0.31 -0.07 -1.07 0.00 0.00 179.97 179.75 3gjx h LEU 65 N 0.43 0.47 -1.04 3.04 3.38 -1.52 0.33 115.31 120.41 3gjx h LEU 65 Ca 0.12 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3gjx h LEU 65 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gjx h LEU 65 CO -0.02 0.32 -0.12 0.00 0.09 0.00 0.00 178.44 178.72 3gjx h ALA 66 N 1.28 1.20 -0.23 1.53 0.00 -0.97 -3.13 119.26 118.94 3gjx h ALA 66 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gjx h ALA 66 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gjx h ALA 66 CO -0.14 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3gjx n GLU 67 N -4.19 2.78 -4.19 0.00 1.02 -0.09 -4.72 120.64 111.24 3gjx n GLU 67 Ca 0.01 -2.17 -0.30 0.00 -0.02 0.00 0.00 57.16 54.68 3gjx n GLU 67 Cb 0.33 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3gjx n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gjx n ASP 68 N -0.09 0.14 -4.31 1.62 4.64 0.11 -4.96 116.55 113.71 3gjx n ASP 68 Ca 0.12 -1.16 -0.35 0.00 -1.38 0.00 0.00 54.79 52.02 3gjx n ASP 68 Cb 0.52 -2.19 -0.14 0.00 -1.04 0.00 0.00 41.12 38.27 3gjx n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3gjx s ASP 69 N -4.27 4.21 0.31 1.67 2.15 -0.88 -5.04 116.67 114.80 3gjx s ASP 69 Ca 0.08 -0.40 0.10 0.00 0.43 0.00 0.00 52.55 52.77 3gjx s ASP 69 Cb -0.04 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 40.81 3gjx s ASP 69 CO 0.96 0.00 -0.11 0.26 -0.17 0.00 0.00 175.17 176.11 3gjx s TRP 70 N 1.34 2.42 0.00 -5.34 0.52 -1.26 -4.65 118.94 111.98 3gjx s TRP 70 Ca 0.04 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.78 3gjx s TRP 70 Cb -0.14 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 3gjx s TRP 70 CO -0.03 0.63 0.00 -2.37 0.02 0.00 0.00 176.95 175.20 3gjx n THR 71 N -0.76 0.00 0.00 2.01 5.66 -1.26 -5.14 114.28 114.78 3gjx n THR 71 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 3gjx n THR 71 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 3gjx n THR 71 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3gjx n LYS 92 N -0.21 0.00 -3.71 1.09 5.02 -1.26 -5.20 118.16 113.88 3gjx n LYS 92 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3gjx n LYS 92 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3gjx n LYS 92 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3gjx s LYS 93 N 0.00 3.64 0.50 1.97 2.20 -1.26 -5.07 119.74 121.72 3gjx s LYS 93 Ca 0.00 0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.43 3gjx s LYS 93 Cb 0.00 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 3gjx s LYS 93 CO 0.00 0.65 1.05 -0.51 -0.36 0.00 0.00 175.35 176.18 3gjx s LEU 94 N -1.65 3.82 0.07 5.43 1.43 -1.26 -4.99 118.68 121.54 3gjx s LEU 94 Ca 0.27 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 3gjx s LEU 94 Cb -0.14 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.44 3gjx s LEU 94 CO 0.15 -0.85 1.65 -2.84 0.23 0.00 0.00 176.35 174.69 3gjx s PRO 95 N -3.27 4.20 0.04 1.29 0.02 -1.26 -5.02 135.00 131.00 3gjx s PRO 95 Ca 0.68 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.84 3gjx s PRO 95 Cb -0.17 -3.58 -0.06 0.00 0.02 0.00 0.00 34.50 30.70 3gjx s PRO 95 CO 0.21 -0.73 0.56 -1.59 -0.33 0.00 0.00 177.00 175.12 3gjx s LYS 96 N 2.58 4.20 1.09 5.54 -2.85 -1.26 -4.95 119.74 124.10 3gjx s LYS 96 Ca 0.74 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.40 3gjx s LYS 96 Cb -0.40 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.11 3gjx s LYS 96 CO 0.32 0.57 0.00 0.72 0.10 0.00 0.00 175.35 177.06 3gjx n HIS 97 N 2.01 -0.89 1.09 1.78 8.25 -1.26 -4.64 115.22 121.56 3gjx n HIS 97 Ca -0.10 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 3gjx n HIS 97 Cb 0.51 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.86 3gjx n HIS 97 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gjx n TYR 98 N 0.00 0.00 -2.79 4.41 4.01 -1.26 -4.85 117.16 116.68 3gjx n TYR 98 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3gjx n TYR 98 Cb 0.00 -0.16 -0.07 0.00 -0.31 0.00 0.00 39.34 38.81 3gjx n TYR 98 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gjx s ALA 99 N -2.77 3.13 -0.68 -0.72 0.00 -1.26 -4.00 121.76 115.45 3gjx s ALA 99 Ca 0.16 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 3gjx s ALA 99 Cb 0.18 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3gjx s ALA 99 CO 0.64 0.14 0.59 0.09 0.00 0.00 0.00 175.76 177.22 3gjx n ASN 100 N -0.00 -4.19 -0.01 0.00 5.03 -0.09 -4.80 115.26 111.20 3gjx n ASN 100 Ca 0.04 -0.27 0.09 0.00 0.87 0.00 0.00 54.58 55.31 3gjx n ASN 100 Cb 0.52 -2.77 -0.13 0.00 -1.02 0.00 0.00 39.78 36.38 3gjx n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gjx n GLN 101 N -2.76 0.70 -3.40 3.52 1.13 -1.26 -4.40 117.38 110.92 3gjx n GLN 101 Ca 0.00 -0.12 -0.36 0.00 -1.94 0.00 0.00 57.00 54.58 3gjx n GLN 101 Cb 0.53 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.41 3gjx n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gjx s LEU 102 N -3.91 4.37 -0.18 1.08 1.43 -1.26 -4.42 118.68 115.79 3gjx s LEU 102 Ca -0.03 1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.85 3gjx s LEU 102 Cb 0.12 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 3gjx s LEU 102 CO 0.75 0.15 0.81 -0.32 0.23 0.00 0.00 176.35 177.97 3gjx s MET 103 N -1.80 4.28 -0.13 1.70 -2.45 -1.26 -1.13 119.30 118.50 3gjx s MET 103 Ca 0.35 0.97 -0.03 0.00 -1.25 0.00 0.00 55.69 55.73 3gjx s MET 103 Cb -0.15 -3.58 -0.03 0.00 1.25 0.00 0.00 34.83 32.32 3gjx s MET 103 CO 0.18 -0.34 -0.03 -0.51 1.05 0.00 0.00 175.02 175.38 3gjx s LEU 104 N 2.20 3.32 0.94 4.11 1.43 0.25 -4.88 118.68 126.04 3gjx s LEU 104 Ca 0.37 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 3gjx s LEU 104 Cb -0.16 -1.78 0.15 0.00 0.03 0.00 0.00 46.19 44.43 3gjx s LEU 104 CO 0.12 0.23 1.11 -0.94 0.23 0.00 0.00 176.35 177.09 3gjx s SER 105 N 0.00 3.17 0.21 2.29 1.04 -1.26 0.74 113.70 119.89 3gjx s SER 105 Ca 0.01 1.18 0.06 0.00 0.48 0.00 0.00 55.95 57.68 3gjx s SER 105 Cb -0.13 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 3gjx s SER 105 CO 0.02 -2.79 -0.10 -1.83 0.98 0.00 0.00 173.24 169.53 3gjx s GLU 106 N -5.07 1.31 0.41 4.02 -1.05 -0.74 -4.56 118.70 113.02 3gjx s GLU 106 Ca 0.64 -1.60 -0.25 0.00 -0.15 0.00 0.00 54.97 53.61 3gjx s GLU 106 Cb -0.17 -0.94 -0.10 0.00 -0.44 0.00 0.00 34.13 32.47 3gjx s GLU 106 CO 0.56 0.10 1.13 0.91 0.95 0.00 0.00 175.26 178.90 3gjx n TRP 107 N -0.38 1.62 -2.29 4.83 7.02 -0.82 -1.63 117.44 125.79 3gjx n TRP 107 Ca -0.08 0.54 -0.39 0.00 -1.02 0.00 0.00 57.50 56.56 3gjx n TRP 107 Cb 0.61 -2.30 -0.03 0.00 -2.42 0.00 0.00 31.31 27.17 3gjx n TRP 107 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 3gjx s LEU 108 N -0.97 3.24 -0.04 -0.99 2.96 -0.51 -4.53 118.68 117.85 3gjx s LEU 108 Ca 0.62 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3gjx s LEU 108 Cb -0.55 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 3gjx s LEU 108 CO 0.58 -2.11 -0.12 -0.38 -1.32 0.00 0.00 176.35 172.99 3gjx n ILE 109 N 6.88 0.81 -2.80 6.68 5.41 -1.26 -4.84 119.36 130.24 3gjx n ILE 109 Ca 0.15 0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.74 3gjx n ILE 109 Cb 0.50 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.69 3gjx n ILE 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gjx s ASP 110 N -5.32 6.57 0.18 4.38 2.15 -1.26 -4.99 116.67 118.37 3gjx s ASP 110 Ca -0.10 -1.80 -0.31 0.00 0.43 0.00 0.00 52.55 50.77 3gjx s ASP 110 Cb 0.01 -2.46 -0.09 0.00 -0.30 0.00 0.00 42.92 40.08 3gjx s ASP 110 CO 0.14 -1.23 1.46 0.54 -0.17 0.00 0.00 175.17 175.91 3gjx s VAL 111 N 3.49 2.88 0.00 1.11 0.11 -1.26 -4.69 120.40 122.05 3gjx s VAL 111 Ca 0.37 0.67 -0.34 0.00 -2.93 0.00 0.00 61.98 59.75 3gjx s VAL 111 Cb -0.04 -3.43 -0.12 0.00 -1.53 0.00 0.00 36.38 31.26 3gjx s VAL 111 CO -0.09 0.07 1.79 -2.65 -3.33 0.00 0.00 175.10 170.89 3gjx n PRO 112 N 3.39 2.22 0.31 1.54 -0.02 -1.26 -4.84 135.00 136.34 3gjx n PRO 112 Ca 0.10 0.81 0.19 0.00 -2.02 0.00 0.00 63.50 62.59 3gjx n PRO 112 Cb 0.40 -2.64 1.04 0.00 -0.02 0.00 0.00 33.50 32.29 3gjx n PRO 112 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gjx h SER 113 N 8.20 0.00 -0.48 2.55 4.64 -2.04 -1.75 113.55 124.67 3gjx h SER 113 Ca -0.47 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 3gjx h SER 113 Cb 1.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 3gjx h SER 113 CO 0.93 0.01 0.05 -0.90 -0.87 0.00 0.00 176.83 176.06 3gjx n ASP 114 N -3.37 2.69 0.04 4.97 3.85 -1.26 -4.83 116.55 118.65 3gjx n ASP 114 Ca -0.03 -3.76 -0.11 0.00 -0.71 0.00 0.00 54.79 50.18 3gjx n ASP 114 Cb 0.11 -0.68 -0.04 0.00 -1.35 0.00 0.00 41.12 39.16 3gjx n ASP 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3gjx h LEU 115 N 1.01 -0.71 -2.56 -2.12 5.85 -1.69 -1.71 115.31 113.38 3gjx h LEU 115 Ca 0.30 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 3gjx h LEU 115 Cb 1.89 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 43.22 3gjx h LEU 115 CO 0.53 -0.30 -0.01 1.23 -0.34 0.00 0.00 178.44 179.55 3gjx h GLY 116 N -0.35 0.00 0.00 3.75 0.00 -1.86 -2.06 103.07 102.55 3gjx h GLY 116 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 3gjx h GLY 116 CO -0.24 0.00 -1.77 0.61 0.00 0.00 0.00 176.54 175.14 3gjx n GLN 117 N -3.17 1.54 0.00 4.80 10.64 -1.16 -3.75 117.38 126.29 3gjx n GLN 117 Ca -0.02 -0.04 0.07 0.00 -1.83 0.00 0.00 57.00 55.18 3gjx n GLN 117 Cb 0.13 -1.31 0.05 0.00 -0.86 0.00 0.00 30.24 28.25 3gjx n GLN 117 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3gjx n GLU 118 N -2.31 1.00 -4.31 2.61 4.07 -0.65 -5.00 120.64 116.05 3gjx n GLU 118 Ca -0.15 -1.20 -0.16 0.00 -0.06 0.00 0.00 57.16 55.59 3gjx n GLU 118 Cb 0.74 -1.24 -0.10 0.00 -0.06 0.00 0.00 31.44 30.78 3gjx n GLU 118 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3gjx s TRP 119 N -1.18 1.49 0.24 4.31 0.52 -0.79 -1.66 118.94 121.87 3gjx s TRP 119 Ca 0.15 -0.77 0.08 0.00 0.02 0.00 0.00 56.10 55.58 3gjx s TRP 119 Cb 0.11 -0.79 -0.05 0.00 -1.15 0.00 0.00 33.47 31.59 3gjx s TRP 119 CO 0.19 0.11 -0.14 0.96 0.02 0.00 0.00 176.95 178.09 3gjx s ILE 120 N -3.27 1.89 -0.06 2.03 -0.00 -0.47 -3.75 121.20 117.58 3gjx s ILE 120 Ca 0.22 -2.24 0.05 0.00 -0.00 0.00 0.00 60.65 58.69 3gjx s ILE 120 Cb 0.03 -2.18 -0.02 0.00 -0.00 0.00 0.00 42.46 40.29 3gjx s ILE 120 CO 0.05 -0.49 -0.22 0.54 -0.00 0.00 0.00 174.94 174.82 3gjx s VAL 121 N -2.87 2.39 -0.23 8.37 0.11 0.16 -0.84 120.40 127.50 3gjx s VAL 121 Ca 0.26 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3gjx s VAL 121 Cb -0.01 -1.89 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 3gjx s VAL 121 CO 0.10 0.57 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.68 3gjx s VAL 122 N -0.31 3.05 0.24 2.04 1.01 -0.28 -0.80 120.40 125.35 3gjx s VAL 122 Ca 0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3gjx s VAL 122 Cb -0.13 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 3gjx s VAL 122 CO 0.02 0.35 1.27 -0.69 0.00 0.00 0.00 175.10 176.06 3gjx s VAL 123 N 1.40 3.15 0.01 2.92 1.01 -1.25 -2.36 120.40 125.28 3gjx s VAL 123 Ca 0.04 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.13 3gjx s VAL 123 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3gjx s VAL 123 CO -0.05 0.19 -0.26 0.00 0.00 0.00 0.00 175.10 174.99 3gjx s PRO 125 N -0.90 3.69 0.09 0.00 0.02 -1.26 -0.66 135.00 135.98 3gjx s PRO 125 Ca 0.11 0.19 -0.31 0.00 0.02 0.00 0.00 61.00 61.00 3gjx s PRO 125 Cb -0.10 -2.55 -0.08 0.00 0.02 0.00 0.00 34.50 31.80 3gjx s PRO 125 CO 0.00 0.12 1.43 0.08 -0.33 0.00 0.00 177.00 178.31 3gjx s VAL 126 N -2.19 3.31 -2.33 3.83 1.01 -0.68 -4.47 120.40 118.88 3gjx s VAL 126 Ca 0.47 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.33 3gjx s VAL 126 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3gjx s VAL 126 CO 0.30 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3gjx n GLY 127 N 3.59 -1.46 3.85 4.51 0.00 -1.26 -4.59 105.19 109.83 3gjx n GLY 127 Ca 0.12 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 3gjx n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gjx s LYS 128 N -1.18 3.33 0.21 1.61 -2.85 0.68 -4.82 119.74 116.72 3gjx s LYS 128 Ca 0.00 -0.25 -0.27 0.00 -1.00 0.00 0.00 55.97 54.45 3gjx s LYS 128 Cb 0.00 -3.08 -0.09 0.00 -2.06 0.00 0.00 37.83 32.61 3gjx s LYS 128 CO 0.00 0.73 0.86 1.03 0.10 0.00 0.00 175.35 178.07 3gjx s ARG 129 N -1.29 4.69 0.02 1.78 1.81 -1.26 0.10 118.95 124.80 3gjx s ARG 129 Ca 0.18 1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 55.31 3gjx s ARG 129 Cb -0.12 -3.22 0.04 0.00 -0.45 0.00 0.00 34.95 31.19 3gjx s ARG 129 CO 0.08 0.52 0.42 0.00 -0.68 0.00 0.00 175.30 175.64 3gjx s ALA 130 N -1.21 -1.05 -0.20 2.13 0.00 0.02 -4.35 121.76 117.10 3gjx s ALA 130 Ca 0.39 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 3gjx s ALA 130 Cb -0.24 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gjx s ALA 130 CO 0.28 -0.40 0.23 -1.17 0.00 0.00 0.00 175.76 174.71 3gjx s LEU 131 N -1.74 4.18 -0.17 0.00 2.96 0.74 -1.93 118.68 122.71 3gjx s LEU 131 Ca -0.08 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3gjx s LEU 131 Cb -0.02 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3gjx s LEU 131 CO 0.01 0.08 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.46 3gjx s ILE 132 N 0.76 3.88 -0.23 6.68 -1.09 -0.78 -0.25 121.20 130.16 3gjx s ILE 132 Ca 0.12 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 3gjx s ILE 132 Cb -0.13 -2.72 0.06 0.00 -1.58 0.00 0.00 42.46 38.09 3gjx s ILE 132 CO 0.03 0.47 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.46 3gjx s VAL 133 N 0.65 1.57 -0.35 2.92 1.01 0.59 -0.89 120.40 125.90 3gjx s VAL 133 Ca -0.02 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 3gjx s VAL 133 Cb -0.14 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3gjx s VAL 133 CO 0.02 -0.07 0.24 0.00 0.00 0.00 0.00 175.10 175.30 3gjx s ALA 134 N 1.38 3.47 -0.12 5.51 0.00 0.43 -0.71 121.76 131.72 3gjx s ALA 134 Ca -0.06 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 3gjx s ALA 134 Cb -0.19 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.29 3gjx s ALA 134 CO -0.06 -1.10 0.42 0.45 0.00 0.00 0.00 175.76 175.47 3gjx s SER 135 N 1.69 -0.41 -1.45 0.00 0.15 0.38 -0.53 113.70 113.54 3gjx s SER 135 Ca 0.05 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.31 3gjx s SER 135 Cb -0.18 0.74 0.06 0.00 -1.71 0.00 0.00 66.02 64.93 3gjx s SER 135 CO 0.10 -0.24 0.74 0.54 1.20 0.00 0.00 173.24 175.58 3gjx n ARG 136 N 2.42 -4.82 -0.18 5.44 1.74 -1.04 -1.78 116.66 118.43 3gjx n ARG 136 Ca -0.15 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3gjx n ARG 136 Cb 0.57 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 3gjx n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gjx n GLY 137 N -1.50 0.83 3.82 -0.13 0.00 -0.61 -5.04 105.19 102.56 3gjx n GLY 137 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3gjx n GLY 137 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gjx s SER 138 N -2.25 -0.10 -0.03 1.61 0.15 -0.56 -4.19 113.70 108.33 3gjx s SER 138 Ca 0.00 -0.90 0.05 0.00 0.70 0.00 0.00 55.95 55.80 3gjx s SER 138 Cb 0.00 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 3gjx s SER 138 CO 0.00 -1.51 -0.20 -0.89 1.20 0.00 0.00 173.24 171.84 3gjx s THR 139 N -3.10 1.59 -0.01 6.45 2.01 0.26 -0.47 115.64 122.37 3gjx s THR 139 Ca 0.14 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.35 3gjx s THR 139 Cb -0.05 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3gjx s THR 139 CO 0.10 0.45 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.89 3gjx s SER 140 N -0.23 1.74 -0.10 3.53 0.01 0.11 -0.92 113.70 117.85 3gjx s SER 140 Ca 0.02 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3gjx s SER 140 Cb -0.10 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 3gjx s SER 140 CO 0.01 0.18 -0.09 0.00 0.41 0.00 0.00 173.24 173.75 3gjx s ALA 141 N -0.32 2.83 -0.01 1.44 0.00 -0.12 -0.30 121.76 125.28 3gjx s ALA 141 Ca 0.05 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3gjx s ALA 141 Cb -0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3gjx s ALA 141 CO -0.00 0.41 -0.13 0.71 0.00 0.00 0.00 175.76 176.74 3gjx s TYR 142 N -0.23 1.16 1.10 0.00 1.51 0.65 -1.57 117.35 119.97 3gjx s TYR 142 Ca 0.02 -0.22 -0.15 0.00 -1.01 0.00 0.00 57.07 55.71 3gjx s TYR 142 Cb -0.13 -0.75 0.24 0.00 -0.11 0.00 0.00 41.96 41.21 3gjx s TYR 142 CO 0.03 -0.02 1.09 0.95 -1.11 0.00 0.00 175.55 176.48 3gjx s THR 143 N -0.30 1.86 0.38 -0.71 -4.23 -0.70 -0.19 115.64 111.75 3gjx s THR 143 Ca 0.05 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.71 3gjx s THR 143 Cb -0.05 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.71 3gjx s THR 143 CO -0.00 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 175.97 3gjx h LYS 144 N -2.24 0.48 -0.02 3.99 1.57 -1.89 0.20 116.57 118.65 3gjx h LYS 144 Ca -0.52 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3gjx h LYS 144 Cb 1.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3gjx h LYS 144 CO 0.49 0.31 0.00 0.43 -0.57 0.00 0.00 179.45 180.12 3gjx n SER 145 N -4.65 0.14 -0.88 0.86 7.64 -1.26 -0.91 113.62 114.57 3gjx n SER 145 Ca 0.24 -1.65 -0.10 0.00 1.01 0.00 0.00 58.87 58.36 3gjx n SER 145 Cb 0.76 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 3gjx n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gjx n GLY 146 N 0.72 0.82 3.65 0.23 0.00 0.70 -4.56 105.19 106.74 3gjx n GLY 146 Ca 0.09 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3gjx n GLY 146 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gjx s TYR 147 N -2.41 3.33 -0.13 1.61 6.14 -1.26 -4.70 117.35 119.94 3gjx s TYR 147 Ca 0.00 1.08 -0.29 0.00 0.64 0.00 0.00 57.07 58.50 3gjx s TYR 147 Cb 0.00 -2.99 -0.04 0.00 0.42 0.00 0.00 41.96 39.36 3gjx s TYR 147 CO 0.00 -0.34 1.56 0.00 0.64 0.00 0.00 175.55 177.40 3gjx n VAL 149 N 5.72 0.90 -3.64 0.00 0.31 -0.61 -4.96 118.33 116.06 3gjx n VAL 149 Ca 0.17 -0.73 -0.09 0.00 -0.01 0.00 0.00 64.34 63.68 3gjx n VAL 149 Cb 0.44 -0.32 -0.07 0.00 -0.91 0.00 0.00 33.84 32.98 3gjx n VAL 149 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gjx s ASN 150 N -5.17 -0.57 -0.10 4.52 2.47 -1.24 -5.02 114.94 109.83 3gjx s ASN 150 Ca -0.09 1.06 0.02 0.00 0.42 0.00 0.00 52.86 54.28 3gjx s ASN 150 Cb 0.09 1.11 -0.01 0.00 -1.45 0.00 0.00 41.25 40.99 3gjx s ASN 150 CO 0.86 -0.18 -0.17 -0.13 -3.72 0.00 0.00 177.10 173.75 3gjx s ARG 151 N 0.51 3.04 0.34 0.43 0.52 -1.26 -0.95 118.95 121.57 3gjx s ARG 151 Ca -0.00 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 3gjx s ARG 151 Cb -0.05 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 33.04 3gjx s ARG 151 CO -0.06 0.30 0.84 -0.59 0.02 0.00 0.00 175.30 175.81 3gjx s PHE 152 N 0.09 0.10 0.13 -0.53 -0.71 -0.09 -5.00 117.98 111.96 3gjx s PHE 152 Ca -0.08 -0.70 -0.17 0.00 -1.04 0.00 0.00 56.93 54.93 3gjx s PHE 152 Cb -0.15 0.81 -0.07 0.00 -1.21 0.00 0.00 43.02 42.39 3gjx s PHE 152 CO 0.05 -1.41 0.59 0.45 -1.34 0.00 0.00 175.22 173.55 3gjx s SER 153 N -3.14 6.97 0.12 1.98 0.15 -1.26 -0.57 113.70 117.94 3gjx s SER 153 Ca 0.17 1.21 -0.10 0.00 0.70 0.00 0.00 55.95 57.93 3gjx s SER 153 Cb -0.05 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 3gjx s SER 153 CO 0.10 0.17 0.25 -0.94 1.20 0.00 0.00 173.24 174.02 3gjx s SER 154 N -1.44 0.04 -0.03 5.45 1.04 -1.14 -4.00 113.70 113.62 3gjx s SER 154 Ca 0.35 -0.66 0.11 0.00 0.48 0.00 0.00 55.95 56.23 3gjx s SER 154 Cb -0.17 0.39 0.38 0.00 0.10 0.00 0.00 66.02 66.72 3gjx s SER 154 CO 0.19 -0.80 1.26 0.18 0.98 0.00 0.00 173.24 175.06 3gjx n LEU 155 N -0.13 2.52 -4.76 2.42 4.77 -1.26 -3.14 117.00 117.42 3gjx n LEU 155 Ca -0.13 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.17 3gjx n LEU 155 Cb 0.63 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3gjx n LEU 155 CO 0.22 0.52 1.09 -0.76 -1.33 0.00 0.00 177.39 177.12 3gjx s LEU 156 N -1.13 4.38 -0.15 2.23 1.02 -1.26 -4.91 118.68 118.87 3gjx s LEU 156 Ca 0.28 2.75 -0.35 0.00 0.02 0.00 0.00 54.13 56.82 3gjx s LEU 156 Cb 0.16 -3.64 -0.12 0.00 0.02 0.00 0.00 46.19 42.61 3gjx s LEU 156 CO 0.16 -0.70 1.89 -2.65 0.02 0.00 0.00 176.35 175.07 3gjx n PRO 157 N 1.66 1.90 0.00 1.29 -0.02 -1.26 0.42 135.00 139.00 3gjx n PRO 157 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3gjx n PRO 157 Cb 0.40 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3gjx n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gjx n GLY 158 N 4.56 0.07 0.15 -1.23 0.00 -1.26 -2.85 105.19 104.63 3gjx n GLY 158 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 3gjx n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gjx h GLY 159 N 0.00 0.56 0.00 -0.02 0.00 -0.21 -1.29 103.07 102.11 3gjx h GLY 159 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 46.13 3gjx h GLY 159 CO 0.00 1.05 0.00 -2.01 0.00 0.00 0.00 176.54 175.58 3gjx n ASN 160 N -3.71 0.00 0.00 0.19 5.15 -1.19 -1.50 115.26 114.20 3gjx n ASN 160 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 3gjx n ASN 160 Cb 0.98 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.23 3gjx n ASN 160 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3gjx n ARG 161 N -1.91 0.00 -0.20 1.20 0.63 -1.26 -4.83 116.66 110.29 3gjx n ARG 161 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 3gjx n ARG 161 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 3gjx n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gjx n ALA 166 N 0.00 2.29 0.27 5.13 0.00 -1.26 -5.04 120.51 121.90 3gjx n ALA 166 Ca 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 53.44 51.11 3gjx n ALA 166 Cb 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 19.45 19.07 3gjx n ALA 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gjx n LYS 167 N -1.13 0.01 -0.11 0.00 4.81 -1.26 -4.76 118.16 115.72 3gjx n LYS 167 Ca 0.13 -0.87 0.05 0.00 -0.87 0.00 0.00 58.31 56.75 3gjx n LYS 167 Cb 0.66 -1.12 0.11 0.00 0.02 0.00 0.00 35.03 34.70 3gjx n LYS 167 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gjx n ASP 168 N 0.34 2.53 -4.40 3.14 10.43 -1.26 -4.07 116.55 123.26 3gjx n ASP 168 Ca 0.04 -1.85 -0.41 0.00 2.57 0.00 0.00 54.79 55.14 3gjx n ASP 168 Cb 0.16 -0.15 0.01 0.00 1.84 0.00 0.00 41.12 42.99 3gjx n ASP 168 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gjx n TYR 169 N 0.40 -1.17 -4.90 1.24 0.18 -1.26 -2.73 117.16 108.92 3gjx n TYR 169 Ca 0.09 0.55 -0.26 0.00 1.88 0.00 0.00 57.90 60.17 3gjx n TYR 169 Cb 0.36 -1.90 -0.15 0.00 -0.38 0.00 0.00 39.34 37.26 3gjx n TYR 169 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3gjx s THR 170 N -1.63 1.46 -0.08 -3.48 2.01 0.31 -0.97 115.64 113.27 3gjx s THR 170 Ca 0.63 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.84 3gjx s THR 170 Cb -0.56 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3gjx s THR 170 CO 0.59 0.41 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.25 3gjx s ILE 171 N -0.40 0.77 0.30 1.82 1.01 0.11 -0.43 121.20 124.38 3gjx s ILE 171 Ca 0.06 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.62 3gjx s ILE 171 Cb -0.07 -0.81 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 3gjx s ILE 171 CO -0.01 0.31 -0.09 -0.76 0.00 0.00 0.00 174.94 174.40 3gjx s LEU 172 N 1.43 2.60 -0.25 2.97 1.43 -0.07 -1.35 118.68 125.44 3gjx s LEU 172 Ca -0.02 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 3gjx s LEU 172 Cb -0.13 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.31 3gjx s LEU 172 CO -0.04 -0.25 -0.09 -0.62 0.23 0.00 0.00 176.35 175.58 3gjx s ASP 173 N -3.51 4.28 0.23 2.29 3.68 -0.03 -1.87 116.67 121.74 3gjx s ASP 173 Ca 0.31 -1.11 0.05 0.00 2.13 0.00 0.00 52.55 53.93 3gjx s ASP 173 Cb 0.02 -1.60 -0.05 0.00 -1.45 0.00 0.00 42.92 39.85 3gjx s ASP 173 CO 0.14 -0.15 -0.06 0.00 0.13 0.00 0.00 175.17 175.22 3gjx s ILE 175 N -3.19 2.60 -0.29 0.00 1.01 0.11 -0.80 121.20 120.64 3gjx s ILE 175 Ca 0.26 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 3gjx s ILE 175 Cb 0.03 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3gjx s ILE 175 CO 0.08 0.12 1.21 -0.47 0.00 0.00 0.00 174.94 175.89 3gjx s TYR 176 N 1.25 2.88 -0.26 3.97 5.04 0.28 -0.35 117.35 130.15 3gjx s TYR 176 Ca -0.03 1.01 -0.14 0.00 -2.44 0.00 0.00 57.07 55.47 3gjx s TYR 176 Cb -0.18 -3.77 -0.04 0.00 0.35 0.00 0.00 41.96 38.32 3gjx s TYR 176 CO -0.05 -1.36 0.33 1.21 -1.34 0.00 0.00 175.55 174.34 3gjx s ASN 177 N 2.26 6.22 0.06 4.32 3.84 -0.11 -0.23 114.94 131.30 3gjx s ASN 177 Ca 0.52 0.24 -0.26 0.00 0.21 0.00 0.00 52.86 53.57 3gjx s ASN 177 Cb -0.16 -2.19 -0.17 0.00 -0.55 0.00 0.00 41.25 38.19 3gjx s ASN 177 CO 0.19 -0.14 1.56 -0.08 -2.79 0.00 0.00 177.10 175.84 3gjx h GLU 178 N 8.11 -0.27 -0.83 0.43 4.81 -1.86 -1.70 114.58 123.27 3gjx h GLU 178 Ca -0.33 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3gjx h GLU 178 Cb 1.17 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 3gjx h GLU 178 CO 0.63 -0.08 0.49 0.28 -0.73 0.00 0.00 179.01 179.60 3gjx h VAL 179 N -0.40 1.23 -0.24 0.32 2.07 -1.95 -2.50 116.25 114.78 3gjx h VAL 179 Ca -0.03 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3gjx h VAL 179 Cb 0.31 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3gjx h VAL 179 CO 0.05 0.25 0.00 0.59 0.02 0.00 0.00 177.57 178.48 3gjx n ASN 180 N -4.43 1.97 -3.42 0.57 3.02 -1.21 -4.92 115.26 106.85 3gjx n ASN 180 Ca 0.08 -1.80 -0.21 0.00 -0.03 0.00 0.00 54.58 52.62 3gjx n ASN 180 Cb 0.07 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 3gjx n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gjx n GLN 181 N 0.53 -1.81 -4.33 3.52 6.02 -0.67 -4.86 117.38 115.78 3gjx n GLN 181 Ca 0.16 0.07 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 3gjx n GLN 181 Cb 0.36 -4.40 -0.14 0.00 1.02 0.00 0.00 30.24 27.08 3gjx n GLN 181 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gjx s THR 182 N -2.53 3.18 -0.52 5.09 2.01 -1.00 -3.25 115.64 118.61 3gjx s THR 182 Ca 0.40 -0.59 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 3gjx s THR 182 Cb -0.24 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 69.92 3gjx s THR 182 CO 0.50 0.48 1.12 -0.31 -0.69 0.00 0.00 174.62 175.71 3gjx s TYR 183 N 0.90 2.75 -0.38 4.92 2.02 0.04 -0.93 117.35 126.67 3gjx s TYR 183 Ca -0.02 0.51 -0.28 0.00 -0.37 0.00 0.00 57.07 56.91 3gjx s TYR 183 Cb -0.15 -4.38 0.02 0.00 -0.40 0.00 0.00 41.96 37.05 3gjx s TYR 183 CO 0.00 -1.37 1.03 0.71 -1.57 0.00 0.00 175.55 174.36 3gjx s TYR 184 N 4.51 3.04 -0.04 2.71 2.02 0.52 -2.31 117.35 127.80 3gjx s TYR 184 Ca 0.44 0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 57.74 3gjx s TYR 184 Cb -0.08 -3.86 -0.03 0.00 -0.40 0.00 0.00 41.96 37.59 3gjx s TYR 184 CO 0.28 -0.92 1.10 0.14 -1.57 0.00 0.00 175.55 174.58 3gjx s VAL 185 N 3.78 4.50 -0.11 0.71 -7.23 0.38 0.07 120.40 122.50 3gjx s VAL 185 Ca 0.43 1.80 0.19 0.00 -1.81 0.00 0.00 61.98 62.59 3gjx s VAL 185 Cb -0.11 -4.16 -0.28 0.00 0.56 0.00 0.00 36.38 32.40 3gjx s VAL 185 CO 0.21 0.05 0.25 -0.11 -0.31 0.00 0.00 175.10 175.19 3gjx n LEU 186 N 4.68 0.00 -3.50 1.32 7.94 0.44 -1.83 117.00 126.05 3gjx n LEU 186 Ca 0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.90 3gjx n LEU 186 Cb 0.48 0.25 -0.02 0.00 0.53 0.00 0.00 43.42 44.65 3gjx n LEU 186 CO 0.54 0.25 0.66 -0.62 -1.11 0.00 0.00 177.39 177.10 3gjx s ASP 187 N -4.89 -0.39 0.03 1.96 -1.08 -0.79 -4.94 116.67 106.57 3gjx s ASP 187 Ca -0.09 0.06 0.08 0.00 -0.52 0.00 0.00 52.55 52.08 3gjx s ASP 187 Cb 0.09 0.40 -0.03 0.00 -1.46 0.00 0.00 42.92 41.92 3gjx s ASP 187 CO 0.82 -0.63 -0.22 0.54 0.52 0.00 0.00 175.17 176.21 3gjx s VAL 188 N -2.92 2.51 0.00 1.11 0.11 -1.26 -0.85 120.40 119.09 3gjx s VAL 188 Ca 0.03 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 3gjx s VAL 188 Cb -0.01 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 3gjx s VAL 188 CO -0.08 0.39 0.00 1.15 -3.33 0.00 0.00 175.10 173.23 3gjx n MET 189 N 1.77 2.37 -3.67 1.54 0.00 -0.45 -4.80 117.12 113.87 3gjx n MET 189 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.43 3gjx n MET 189 Cb 0.52 -0.98 -0.11 0.00 0.00 0.00 0.00 33.22 32.65 3gjx n MET 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gjx s TRP 191 N 2.39 2.14 -1.01 0.00 -0.11 -0.38 0.05 118.94 122.02 3gjx s TRP 191 Ca -0.01 -0.40 -0.01 0.00 1.22 0.00 0.00 56.10 56.89 3gjx s TRP 191 Cb -0.12 -1.35 0.01 0.00 -1.50 0.00 0.00 33.47 30.51 3gjx s TRP 191 CO -0.11 0.01 0.02 -2.13 -4.62 0.00 0.00 176.95 170.12 3gjx n ARG 192 N 2.29 -0.95 -1.00 5.86 0.63 -1.25 0.59 116.66 122.84 3gjx n ARG 192 Ca -0.16 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3gjx n ARG 192 Cb 0.52 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.08 3gjx n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gjx n GLY 193 N -1.95 0.64 3.30 5.14 0.00 -0.14 -4.71 105.19 107.47 3gjx n GLY 193 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3gjx n GLY 193 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gjx s HIS 194 N -2.58 2.90 0.42 1.61 3.76 0.20 -4.92 115.29 116.68 3gjx s HIS 194 Ca 0.00 -0.96 -0.25 0.00 -0.15 0.00 0.00 55.06 53.70 3gjx s HIS 194 Cb 0.00 -2.01 -0.08 0.00 1.11 0.00 0.00 32.58 31.59 3gjx s HIS 194 CO 0.00 -0.50 1.22 -2.14 -0.85 0.00 0.00 174.74 172.47 3gjx s PRO 195 N 1.17 3.93 0.00 8.40 0.02 -1.26 -1.25 135.00 146.01 3gjx s PRO 195 Ca 0.02 1.94 0.01 0.00 0.02 0.00 0.00 61.00 62.98 3gjx s PRO 195 Cb -0.14 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.75 3gjx s PRO 195 CO -0.03 -0.45 0.76 1.19 -0.33 0.00 0.00 177.00 178.14 3gjx n PHE 196 N -0.06 0.01 -0.27 6.54 3.72 0.58 -4.73 117.46 123.25 3gjx n PHE 196 Ca 0.05 -0.24 0.05 0.00 -0.05 0.00 0.00 57.45 57.25 3gjx n PHE 196 Cb 0.46 -0.02 0.18 0.00 -0.94 0.00 0.00 39.48 39.16 3gjx n PHE 196 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3gjx h TYR 197 N 0.10 0.67 0.00 1.38 -1.99 -1.86 -1.54 116.97 113.74 3gjx h TYR 197 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3gjx h TYR 197 Cb 0.26 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.81 3gjx h TYR 197 CO 0.01 0.18 0.00 -0.25 -0.00 0.00 0.00 178.16 178.10 3gjx n ASP 198 N -4.89 0.08 -4.67 3.88 8.00 -1.26 -1.36 116.55 116.33 3gjx n ASP 198 Ca 0.14 -1.29 -0.32 0.00 0.71 0.00 0.00 54.79 54.03 3gjx n ASP 198 Cb 0.37 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 3gjx n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gjx n GLN 200 N 1.24 0.87 0.01 0.00 6.02 -1.26 -4.16 117.38 120.10 3gjx n GLN 200 Ca -0.14 0.35 -0.08 0.00 -0.01 0.00 0.00 57.00 57.12 3gjx n GLN 200 Cb 0.52 -2.39 0.08 0.00 1.02 0.00 0.00 30.24 29.47 3gjx n GLN 200 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3gjx h THR 201 N 0.24 1.32 -0.96 5.09 1.35 -1.01 -0.68 112.91 118.25 3gjx h THR 201 Ca -0.49 -1.72 0.10 0.00 -0.55 0.00 0.00 66.41 63.75 3gjx h THR 201 Cb 1.34 1.71 -0.08 0.00 -1.73 0.00 0.00 68.15 69.39 3gjx h THR 201 CO 0.51 0.54 0.60 -2.24 -0.25 0.00 0.00 175.52 174.67 3gjx h ASP 202 N 0.42 0.89 0.14 5.36 -0.00 -1.77 0.73 116.42 122.19 3gjx h ASP 202 Ca 0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.08 3gjx h ASP 202 Cb 1.02 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.21 3gjx h ASP 202 CO 0.09 0.50 -0.07 0.15 -0.00 0.00 0.00 179.24 179.92 3gjx h PHE 203 N 0.99 -0.18 -0.50 4.15 3.57 -1.73 0.39 116.94 123.62 3gjx h PHE 203 Ca 0.46 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.06 3gjx h PHE 203 Cb 0.39 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 3gjx h PHE 203 CO -0.02 0.08 -0.09 0.00 -2.23 0.00 0.00 178.31 176.05 3gjx h ARG 204 N -0.42 0.03 -0.49 1.11 3.08 -0.51 0.41 114.38 117.59 3gjx h ARG 204 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gjx h ARG 204 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3gjx h ARG 204 CO 0.03 0.02 0.21 0.74 -1.07 0.00 0.00 179.97 179.90 3gjx h PHE 205 N 0.03 0.72 -0.00 3.04 0.05 0.52 -1.68 116.94 119.62 3gjx h PHE 205 Ca 0.25 -0.05 0.02 0.00 3.82 0.00 0.00 57.97 62.01 3gjx h PHE 205 Cb 0.38 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.09 3gjx h PHE 205 CO -0.40 0.59 -0.09 -0.92 -0.18 0.00 0.00 178.31 177.31 3gjx h TYR 206 N 0.64 -0.24 -0.99 -0.55 5.03 0.28 -2.58 116.97 118.56 3gjx h TYR 206 Ca 0.16 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.58 3gjx h TYR 206 Cb 0.16 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.47 3gjx h TYR 206 CO -0.00 -0.15 0.63 2.35 -1.32 0.00 0.00 178.16 179.68 3gjx h TRP 207 N -0.16 1.15 -0.34 -3.82 2.91 0.01 -2.57 115.95 113.12 3gjx h TRP 207 Ca 0.04 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 3gjx h TRP 207 Cb 0.21 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.47 3gjx h TRP 207 CO -0.16 0.51 0.17 1.98 -1.03 0.00 0.00 178.44 179.91 3gjx h MET 208 N 1.05 0.49 -0.06 2.65 4.05 -0.98 -1.74 114.93 120.38 3gjx h MET 208 Ca 0.47 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 3gjx h MET 208 Cb 0.37 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 3gjx h MET 208 CO -0.22 0.44 0.00 0.72 0.23 0.00 0.00 176.91 178.08 3gjx n HIS 209 N -4.75 0.08 -0.06 1.39 8.25 -0.99 -1.75 115.22 117.39 3gjx n HIS 209 Ca -0.01 -0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 3gjx n HIS 209 Cb 0.10 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 3gjx n HIS 209 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3gjx n SER 210 N -0.13 1.87 0.05 0.41 3.41 -1.06 -4.54 113.62 113.63 3gjx n SER 210 Ca 0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.56 3gjx n SER 210 Cb 0.25 0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 64.96 3gjx n SER 210 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gjx h LYS 211 N 0.00 0.35 -0.04 4.33 6.56 -1.30 -3.38 116.57 123.08 3gjx h LYS 211 Ca -0.31 -0.59 -0.00 0.00 -1.06 0.00 0.00 60.65 58.69 3gjx h LYS 211 Cb 1.65 0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 33.53 3gjx h LYS 211 CO 0.02 1.28 0.03 -0.07 -2.06 0.00 0.00 179.45 178.64 3gjx h LEU 212 N -0.01 0.05 -2.23 2.94 3.38 -1.57 -2.87 115.31 115.00 3gjx h LEU 212 Ca -0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gjx h LEU 212 Cb 2.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3gjx h LEU 212 CO 0.14 0.10 0.25 -0.65 0.09 0.00 0.00 178.44 178.37 3gjx h PRO 213 N 0.00 0.00 -2.09 1.13 0.11 -1.80 -2.90 132.00 126.45 3gjx h PRO 213 Ca 0.02 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.59 3gjx h PRO 213 Cb 0.06 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 30.77 3gjx h PRO 213 CO -0.00 0.00 -0.98 -1.91 -0.21 0.00 0.00 178.00 174.89 3gjx n GLU 214 N -2.92 1.64 -4.06 1.05 4.07 -1.08 -4.92 120.64 114.41 3gjx n GLU 214 Ca -0.02 -3.85 -0.33 0.00 -0.06 0.00 0.00 57.16 52.90 3gjx n GLU 214 Cb 0.30 -1.80 -0.15 0.00 -0.06 0.00 0.00 31.44 29.73 3gjx n GLU 214 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3gjx s GLU 215 N -2.46 2.64 0.00 5.31 0.41 -1.10 -5.02 118.70 118.49 3gjx s GLU 215 Ca 0.41 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 3gjx s GLU 215 Cb 0.28 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 3gjx s GLU 215 CO -0.09 -0.40 0.00 -1.91 -0.49 0.00 0.00 175.26 172.36 3gjx n GLU 216 N 4.55 0.00 -2.60 1.61 2.13 -1.26 -2.39 120.64 122.68 3gjx n GLU 216 Ca -0.17 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.54 3gjx n GLU 216 Cb 0.46 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.20 3gjx n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gjx n GLY 217 N 0.00 3.04 0.33 8.31 0.00 -1.26 -4.87 105.19 110.75 3gjx n GLY 217 Ca 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.40 3gjx n GLY 217 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gjx h LEU 218 N 2.69 0.59 -1.20 0.99 5.85 -1.80 0.12 115.31 122.56 3gjx h LEU 218 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3gjx h LEU 218 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gjx h LEU 218 CO 0.50 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.62 3gjx n GLY 219 N -1.46 0.98 3.16 3.75 0.00 -1.24 -0.62 105.19 109.76 3gjx n GLY 219 Ca 0.07 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3gjx n GLY 219 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gjx s GLU 220 N -1.57 0.86 -0.25 1.61 0.41 0.43 -4.79 118.70 115.40 3gjx s GLU 220 Ca 0.13 -0.90 -0.16 0.00 -0.41 0.00 0.00 54.97 53.63 3gjx s GLU 220 Cb 0.08 -0.88 -0.03 0.00 -1.78 0.00 0.00 34.13 31.52 3gjx s GLU 220 CO 0.06 0.20 0.44 0.21 -0.49 0.00 0.00 175.26 175.68 3gjx s LYS 221 N -1.55 4.07 0.23 1.61 2.20 -1.26 -4.66 119.74 120.38 3gjx s LYS 221 Ca -0.01 0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.69 3gjx s LYS 221 Cb -0.09 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3gjx s LYS 221 CO 0.02 -0.26 0.41 0.99 -0.36 0.00 0.00 175.35 176.15 3gjx s THR 222 N 2.03 0.01 0.22 3.43 2.01 -0.86 -4.97 115.64 117.51 3gjx s THR 222 Ca 0.19 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.68 3gjx s THR 222 Cb -0.16 -2.15 0.11 0.00 0.01 0.00 0.00 72.50 70.31 3gjx s THR 222 CO 0.09 -0.05 1.72 0.50 -0.69 0.00 0.00 174.62 176.19 3gjx h LYS 223 N 2.34 1.01 0.00 4.92 3.64 -1.97 -1.42 116.57 125.08 3gjx h LYS 223 Ca -0.28 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3gjx h LYS 223 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3gjx h LYS 223 CO 0.39 0.94 0.00 1.25 -2.27 0.00 0.00 179.45 179.76 3gjx h LEU 224 N 0.94 0.00 -5.99 5.20 5.85 -1.97 -3.37 115.31 115.97 3gjx h LEU 224 Ca 0.19 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.38 3gjx h LEU 224 Cb 0.44 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.07 3gjx h LEU 224 CO 0.01 0.00 -1.14 -3.20 -0.34 0.00 0.00 178.44 173.78 3gjx n ASN 225 N -2.65 0.37 0.03 1.25 5.15 -0.99 -2.87 115.26 115.56 3gjx n ASN 225 Ca 0.04 -2.80 0.12 0.00 -0.60 0.00 0.00 54.58 51.33 3gjx n ASN 225 Cb 0.41 -0.62 0.56 0.00 -0.53 0.00 0.00 39.78 39.60 3gjx n ASN 225 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3gjx h PRO 226 N 3.66 0.24 -5.38 1.20 0.11 -1.40 -2.30 132.00 128.13 3gjx h PRO 226 Ca 0.08 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.53 3gjx h PRO 226 Cb 0.91 -0.05 -0.23 0.00 0.11 0.00 0.00 31.00 31.74 3gjx h PRO 226 CO 0.47 0.16 -0.70 -0.06 -0.21 0.00 0.00 178.00 177.66 3gjx s PHE 227 N -5.25 2.94 0.08 0.65 0.40 -1.26 -4.68 117.98 110.86 3gjx s PHE 227 Ca -0.07 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.65 3gjx s PHE 227 Cb 0.19 -1.90 -0.07 0.00 0.51 0.00 0.00 43.02 41.75 3gjx s PHE 227 CO 0.72 -0.07 0.66 0.15 0.70 0.00 0.00 175.22 177.39 3gjx s LYS 228 N 0.26 4.37 -0.18 0.44 1.02 -1.20 -4.87 119.74 119.57 3gjx s LYS 228 Ca -0.05 0.90 -0.04 0.00 0.02 0.00 0.00 55.97 56.80 3gjx s LYS 228 Cb -0.15 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 3gjx s LYS 228 CO 0.04 0.51 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.88 3gjx s PHE 229 N -0.76 2.99 -0.05 3.18 0.08 0.21 -0.78 117.98 122.86 3gjx s PHE 229 Ca 0.33 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.86 3gjx s PHE 229 Cb -0.20 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3gjx s PHE 229 CO 0.21 -0.24 -0.04 0.08 -0.10 0.00 0.00 175.22 175.13 3gjx s VAL 230 N 0.84 0.55 0.26 -0.44 1.01 -0.98 -3.69 120.40 117.96 3gjx s VAL 230 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 3gjx s VAL 230 Cb -0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 3gjx s VAL 230 CO 0.02 0.23 1.12 -0.83 0.00 0.00 0.00 175.10 175.65 3gjx s GLY 231 N 1.02 3.00 0.35 4.51 0.00 -1.26 -0.47 107.32 114.48 3gjx s GLY 231 Ca -0.09 0.92 -0.22 0.00 0.00 0.00 0.00 44.72 45.33 3gjx s GLY 231 CO -0.00 1.58 0.89 1.08 0.00 0.00 0.00 173.10 176.65 3gjx s LEU 232 N -1.24 4.15 0.44 0.66 1.43 -0.76 -4.86 118.68 118.49 3gjx s LEU 232 Ca 0.46 1.66 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 3gjx s LEU 232 Cb -0.32 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 3gjx s LEU 232 CO 0.41 -0.19 1.01 -0.54 0.23 0.00 0.00 176.35 177.27 3gjx s LYS 233 N -2.60 4.07 0.24 1.70 1.02 -1.26 -4.99 119.74 117.91 3gjx s LYS 233 Ca 0.54 1.32 0.10 0.00 0.02 0.00 0.00 55.97 57.96 3gjx s LYS 233 Cb -0.14 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3gjx s LYS 233 CO 0.18 -0.19 -0.10 0.54 -0.92 0.00 0.00 175.35 174.86 3gjx s ASN 234 N -1.91 4.12 0.05 2.83 2.20 -1.26 -3.88 114.94 117.09 3gjx s ASN 234 Ca 0.62 -0.74 -0.03 0.00 -0.94 0.00 0.00 52.86 51.77 3gjx s ASN 234 Cb -0.16 -0.62 -0.02 0.00 -2.00 0.00 0.00 41.25 38.45 3gjx s ASN 234 CO 0.20 0.05 0.03 -0.36 -2.94 0.00 0.00 177.10 174.08 3gjx s PHE 235 N -2.12 0.36 0.97 1.54 0.40 0.02 -4.95 117.98 114.19 3gjx s PHE 235 Ca 0.28 -0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 3gjx s PHE 235 Cb -0.07 -0.26 0.18 0.00 0.51 0.00 0.00 43.02 43.38 3gjx s PHE 235 CO 0.16 -0.37 1.11 -1.25 0.70 0.00 0.00 175.22 175.57 3gjx s PRO 236 N -3.26 0.60 -0.09 0.24 0.04 -1.26 -0.66 135.00 130.61 3gjx s PRO 236 Ca 0.01 1.31 0.14 0.00 0.04 0.00 0.00 61.00 62.50 3gjx s PRO 236 Cb 0.03 -1.70 0.44 0.00 0.04 0.00 0.00 34.50 33.31 3gjx s PRO 236 CO -0.08 -2.84 1.36 0.00 0.04 0.00 0.00 177.00 175.49 3gjx n THR 238 N 0.11 4.09 -0.25 0.00 -2.24 -1.25 -4.04 114.28 110.70 3gjx n THR 238 Ca 0.17 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 3gjx n THR 238 Cb 0.68 -1.29 0.14 0.00 -2.10 0.00 0.00 70.33 67.76 3gjx n THR 238 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3gjx h PRO 239 N 0.58 0.60 -0.12 -0.78 0.11 -1.94 -0.90 132.00 129.54 3gjx h PRO 239 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3gjx h PRO 239 Cb 1.35 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gjx h PRO 239 CO 0.52 0.40 -0.05 0.93 -0.21 0.00 0.00 178.00 179.58 3gjx h GLU 240 N 0.62 0.26 -0.44 1.05 5.08 -1.99 -3.11 114.58 116.04 3gjx h GLU 240 Ca 0.35 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 3gjx h GLU 240 Cb 0.37 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 3gjx h GLU 240 CO -0.27 0.59 -0.13 1.03 -1.00 0.00 0.00 179.01 179.24 3gjx h SER 241 N -0.09 -0.46 -0.93 1.42 0.87 -1.79 -1.99 113.55 110.60 3gjx h SER 241 Ca 0.03 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 3gjx h SER 241 Cb 0.51 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 3gjx h SER 241 CO 0.02 -0.16 0.59 -0.07 -0.53 0.00 0.00 176.83 176.68 3gjx h LEU 242 N -0.02 0.80 -0.84 2.23 3.38 -1.16 0.47 115.31 120.17 3gjx h LEU 242 Ca 0.21 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3gjx h LEU 242 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gjx h LEU 242 CO -0.46 0.44 0.01 0.00 0.09 0.00 0.00 178.44 178.51 3gjx h ASP 244 N 0.81 0.23 0.44 0.00 3.45 -0.59 -2.67 116.42 118.08 3gjx h ASP 244 Ca 0.16 -0.57 -0.03 0.00 0.43 0.00 0.00 57.03 57.01 3gjx h ASP 244 Cb 0.47 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3gjx h ASP 244 CO 0.02 0.76 -0.16 -0.37 -1.57 0.00 0.00 179.24 177.92 3gjx h VAL 245 N -0.29 0.65 0.00 -1.35 -1.51 -1.31 0.31 116.25 112.76 3gjx h VAL 245 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3gjx h VAL 245 Cb 0.72 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3gjx h VAL 245 CO 0.03 0.16 0.00 -0.11 -1.23 0.00 0.00 177.57 176.42 3gjx n LEU 246 N -3.68 0.00 -0.03 4.19 7.94 -0.92 -2.58 117.00 121.93 3gjx n LEU 246 Ca -0.02 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 3gjx n LEU 246 Cb 0.28 -0.30 0.01 0.00 0.53 0.00 0.00 43.42 43.94 3gjx n LEU 246 CO 0.32 -0.05 0.39 -1.20 -1.11 0.00 0.00 177.39 175.73 3gjx n SER 247 N -1.30 1.57 -4.80 1.96 7.64 0.96 -5.06 113.62 114.59 3gjx n SER 247 Ca 0.11 -1.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.16 3gjx n SER 247 Cb 0.20 -0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.48 3gjx n SER 247 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3gjx s MET 248 N -0.54 2.18 -0.16 1.43 -1.94 -0.35 -5.06 119.30 114.84 3gjx s MET 248 Ca 0.01 0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 54.62 3gjx s MET 248 Cb 0.01 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 3gjx s MET 248 CO 0.01 -1.57 0.03 -0.51 -0.01 0.00 0.00 175.02 172.97 3gjx s ASP 249 N -3.87 5.41 0.01 3.03 1.01 -1.26 -5.05 116.67 115.95 3gjx s ASP 249 Ca 0.60 0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.97 3gjx s ASP 249 Cb -0.14 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 3gjx s ASP 249 CO 0.54 0.20 -0.17 -0.36 0.21 0.00 0.00 175.17 175.59 3gjx s PHE 250 N 0.19 2.59 -2.00 4.23 0.40 -1.26 -4.99 117.98 117.14 3gjx s PHE 250 Ca 0.03 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 3gjx s PHE 250 Cb -0.13 -1.52 0.28 0.00 0.51 0.00 0.00 43.02 42.17 3gjx s PHE 250 CO 0.01 0.21 0.71 -0.35 0.70 0.00 0.00 175.22 176.50 3gjx n PRO 251 N 1.85 0.18 -4.20 0.24 -0.04 -1.26 -4.67 135.00 127.10 3gjx n PRO 251 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 3gjx n PRO 251 Cb 0.52 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 3gjx n PRO 251 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3gjx s PHE 252 N -2.00 1.14 0.09 0.54 -0.71 -1.26 -5.04 117.98 110.75 3gjx s PHE 252 Ca 0.07 -1.36 -0.31 0.00 -1.04 0.00 0.00 56.93 54.29 3gjx s PHE 252 Cb 0.03 -0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 41.23 3gjx s PHE 252 CO 0.05 -0.65 1.32 -1.21 -1.34 0.00 0.00 175.22 173.39 3gjx s GLU 253 N -4.15 4.36 0.03 1.99 2.02 -1.26 -5.01 118.70 116.68 3gjx s GLU 253 Ca 0.39 1.96 -0.28 0.00 0.02 0.00 0.00 54.97 57.05 3gjx s GLU 253 Cb 0.07 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3gjx s GLU 253 CO 0.12 -0.37 0.88 0.08 0.02 0.00 0.00 175.26 175.99 3gjx s VAL 254 N 1.11 4.77 -0.22 2.63 1.01 -1.26 -1.69 120.40 126.74 3gjx s VAL 254 Ca 0.62 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 64.30 3gjx s VAL 254 Cb -0.34 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.70 3gjx s VAL 254 CO 0.30 0.26 -0.19 -0.67 0.00 0.00 0.00 175.10 174.80 3gjx n ASP 255 N 3.34 1.91 -0.90 3.32 4.64 0.17 -4.71 116.55 124.31 3gjx n ASP 255 Ca 0.02 0.40 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 3gjx n ASP 255 Cb 0.50 -0.85 0.00 0.00 -1.04 0.00 0.00 41.12 39.74 3gjx n ASP 255 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gjx n GLY 256 N 1.39 1.39 3.18 0.27 0.00 -1.21 -4.40 105.19 105.81 3gjx n GLY 256 Ca -0.34 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 3gjx n GLY 256 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjx s LEU 257 N 0.00 1.97 -0.12 0.99 1.43 -0.31 -1.25 118.68 121.39 3gjx s LEU 257 Ca 0.00 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3gjx s LEU 257 Cb 0.00 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3gjx s LEU 257 CO 0.00 0.17 0.09 -0.76 0.23 0.00 0.00 176.35 176.08 3gjx s LEU 258 N 0.07 4.06 -0.24 1.79 1.43 -1.00 -1.31 118.68 123.49 3gjx s LEU 258 Ca -0.07 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3gjx s LEU 258 Cb -0.14 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3gjx s LEU 258 CO 0.04 0.35 -0.03 -0.36 0.23 0.00 0.00 176.35 176.58 3gjx s PHE 259 N -0.69 3.01 -0.15 0.29 0.08 0.12 -1.12 117.98 119.52 3gjx s PHE 259 Ca 0.12 -1.10 -0.07 0.00 0.12 0.00 0.00 56.93 56.00 3gjx s PHE 259 Cb -0.12 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3gjx s PHE 259 CO 0.03 -0.60 0.08 0.71 -0.10 0.00 0.00 175.22 175.34 3gjx s TYR 260 N 1.44 3.35 0.06 0.36 2.02 -0.02 -0.60 117.35 123.97 3gjx s TYR 260 Ca 0.04 0.26 -0.31 0.00 -0.37 0.00 0.00 57.07 56.69 3gjx s TYR 260 Cb -0.15 -2.00 -0.06 0.00 -0.40 0.00 0.00 41.96 39.34 3gjx s TYR 260 CO -0.03 0.39 1.27 -1.58 -1.57 0.00 0.00 175.55 174.03 3gjx s HIS 261 N -0.23 3.31 0.56 2.71 5.65 -0.44 -1.36 115.29 125.48 3gjx s HIS 261 Ca 0.09 1.15 0.26 0.00 0.25 0.00 0.00 55.06 56.80 3gjx s HIS 261 Cb -0.12 -3.52 1.54 0.00 -1.18 0.00 0.00 32.58 29.30 3gjx s HIS 261 CO 0.01 -1.71 2.09 0.87 -0.65 0.00 0.00 174.74 175.35 3gjx h LYS 262 N 6.95 0.00 -0.02 2.88 1.57 -1.67 -2.82 116.57 123.46 3gjx h LYS 262 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3gjx h LYS 262 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3gjx h LYS 262 CO 0.84 0.00 -0.12 1.04 -0.57 0.00 0.00 179.45 180.64 3gjx n GLN 263 N -4.06 1.87 -2.50 3.15 6.02 -1.26 -1.41 117.38 119.18 3gjx n GLN 263 Ca 0.03 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.00 55.14 3gjx n GLN 263 Cb 0.35 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 3gjx n GLN 263 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gjx s THR 264 N -2.13 4.10 1.14 5.09 2.01 -1.07 -4.58 115.64 120.20 3gjx s THR 264 Ca 0.28 1.61 -0.15 0.00 0.31 0.00 0.00 61.69 63.74 3gjx s THR 264 Cb 0.20 -4.03 0.26 0.00 0.01 0.00 0.00 72.50 68.94 3gjx s THR 264 CO 0.38 0.19 1.05 -1.00 -0.69 0.00 0.00 174.62 174.55 3gjx s HIS 265 N 0.54 1.33 -0.43 4.92 3.76 -1.26 -2.67 115.29 121.47 3gjx s HIS 265 Ca 0.54 0.93 -0.21 0.00 -0.15 0.00 0.00 55.06 56.17 3gjx s HIS 265 Cb -0.28 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.24 3gjx s HIS 265 CO 0.31 -3.65 0.64 -0.47 -0.85 0.00 0.00 174.74 170.72 3gjx s TYR 266 N -2.72 3.08 -0.15 1.40 6.14 -0.46 -4.93 117.35 119.70 3gjx s TYR 266 Ca 0.68 -0.02 -0.01 0.00 0.64 0.00 0.00 57.07 58.36 3gjx s TYR 266 Cb -0.19 -3.31 0.04 0.00 0.42 0.00 0.00 41.96 38.91 3gjx s TYR 266 CO 0.60 -0.84 -0.05 -1.54 0.64 0.00 0.00 175.55 174.36 3gjx s SER 267 N 1.98 2.67 0.72 4.32 1.04 -1.26 -4.77 113.70 118.39 3gjx s SER 267 Ca 0.22 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 3gjx s SER 267 Cb -0.14 -0.88 0.03 0.00 0.10 0.00 0.00 66.02 65.13 3gjx s SER 267 CO 0.18 -0.18 1.24 -2.65 0.98 0.00 0.00 173.24 172.82 3gjx n PRO 268 N 4.90 0.70 0.00 4.02 -0.02 -1.26 -4.27 135.00 139.07 3gjx n PRO 268 Ca -0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3gjx n PRO 268 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3gjx n PRO 268 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gjx n GLY 269 N 0.78 1.29 3.82 -1.23 0.00 -0.29 -4.85 105.19 104.72 3gjx n GLY 269 Ca 0.15 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 3gjx n GLY 269 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gjx s SER 270 N 0.00 6.62 -0.02 1.61 1.04 -1.26 0.83 113.70 122.53 3gjx s SER 270 Ca 0.00 1.68 -0.23 0.00 0.48 0.00 0.00 55.95 57.89 3gjx s SER 270 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.64 3gjx s SER 270 CO 0.00 -0.58 0.49 0.28 0.98 0.00 0.00 173.24 174.41 3gjx s THR 271 N -2.37 0.03 -0.98 2.02 -1.32 0.23 -4.81 115.64 108.44 3gjx s THR 271 Ca 0.61 -0.25 0.27 0.00 -1.21 0.00 0.00 61.69 61.11 3gjx s THR 271 Cb -0.11 -0.82 0.22 0.00 -1.51 0.00 0.00 72.50 70.28 3gjx s THR 271 CO 0.24 -0.14 1.85 -0.81 -2.21 0.00 0.00 174.62 173.55 3gjx n PRO 272 N 1.02 0.01 0.00 7.08 -0.04 -1.26 -2.89 135.00 138.93 3gjx n PRO 272 Ca -0.20 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 3gjx n PRO 272 Cb 0.57 -1.52 0.35 0.00 -0.04 0.00 0.00 33.50 32.86 3gjx n PRO 272 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gjx n LEU 273 N -1.54 0.01 -4.06 1.53 4.77 -1.26 -4.46 117.00 111.98 3gjx n LEU 273 Ca 0.06 0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3gjx n LEU 273 Cb 0.32 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 3gjx n LEU 273 CO 0.25 -0.22 -0.45 0.68 -1.33 0.00 0.00 177.39 176.32 3gjx s VAL 274 N -3.00 0.86 0.17 4.08 -7.23 -1.24 -1.33 120.40 112.71 3gjx s VAL 274 Ca 0.08 -0.57 0.11 0.00 -1.81 0.00 0.00 61.98 59.78 3gjx s VAL 274 Cb 0.11 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3gjx s VAL 274 CO 0.30 0.16 -0.24 -0.83 -0.31 0.00 0.00 175.10 174.18 3gjx s GLY 275 N -0.47 1.63 -0.10 2.32 0.00 0.23 -1.79 107.32 109.14 3gjx s GLY 275 Ca 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.21 3gjx s GLY 275 CO -0.00 -1.59 -0.22 0.86 0.00 0.00 0.00 173.10 172.15 3gjx s TRP 276 N -1.56 2.60 0.03 1.90 -0.11 -0.64 0.13 118.94 121.29 3gjx s TRP 276 Ca 0.18 -0.90 0.04 0.00 1.22 0.00 0.00 56.10 56.65 3gjx s TRP 276 Cb -0.08 -1.72 -0.02 0.00 -1.50 0.00 0.00 33.47 30.15 3gjx s TRP 276 CO 0.08 -0.33 -0.13 -0.51 -4.62 0.00 0.00 176.95 171.44 3gjx s LEU 277 N 0.24 2.15 0.51 5.86 1.02 -0.43 -1.42 118.68 126.61 3gjx s LEU 277 Ca -0.14 -0.42 -0.14 0.00 0.02 0.00 0.00 54.13 53.45 3gjx s LEU 277 Cb -0.17 -0.56 -0.07 0.00 0.02 0.00 0.00 46.19 45.42 3gjx s LEU 277 CO 0.07 0.03 0.95 -0.13 0.02 0.00 0.00 176.35 177.29 3gjx s ARG 278 N -1.02 3.83 0.22 1.70 1.81 -1.26 -1.16 118.95 123.08 3gjx s ARG 278 Ca 0.01 0.79 -0.08 0.00 -1.72 0.00 0.00 55.73 54.73 3gjx s ARG 278 Cb -0.07 -2.18 0.25 0.00 -0.45 0.00 0.00 34.95 32.49 3gjx s ARG 278 CO 0.01 -0.28 1.85 -1.35 -0.68 0.00 0.00 175.30 174.84 3gjx h PRO 279 N 0.70 0.87 0.00 3.54 0.11 -1.93 -1.37 132.00 133.92 3gjx h PRO 279 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gjx h PRO 279 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gjx h PRO 279 CO 0.62 0.58 0.00 2.48 -0.21 0.00 0.00 178.00 181.47 3gjx n TYR 280 N -4.65 0.73 0.09 0.65 0.18 -1.26 -2.35 117.16 110.54 3gjx n TYR 280 Ca 0.09 0.34 -0.02 0.00 1.88 0.00 0.00 57.90 60.20 3gjx n TYR 280 Cb 0.12 -1.05 -0.05 0.00 -0.38 0.00 0.00 39.34 37.99 3gjx n TYR 280 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 3gjx h MET 281 N 0.00 0.00 0.13 -3.48 2.86 -1.63 -3.38 114.93 109.44 3gjx h MET 281 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gjx h MET 281 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3gjx h MET 281 CO 0.00 0.64 -0.10 0.28 1.06 0.00 0.00 176.91 178.80 3gjx h VAL 282 N 0.00 0.79 -0.09 -2.22 2.07 -1.52 -2.50 116.25 112.77 3gjx h VAL 282 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3gjx h VAL 282 Cb 1.57 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3gjx h VAL 282 CO 0.09 0.00 0.18 0.77 0.02 0.00 0.00 177.57 178.63 3gjx h SER 283 N -0.23 0.00 0.01 0.57 4.64 -1.75 -1.58 113.55 115.21 3gjx h SER 283 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gjx h SER 283 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3gjx h SER 283 CO -0.00 0.00 -0.01 0.44 -0.87 0.00 0.00 176.83 176.39 3gjx h ASP 284 N 0.00 -0.02 -0.99 4.97 3.45 -1.66 -3.30 116.42 118.88 3gjx h ASP 284 Ca 0.04 -0.76 -0.74 0.00 0.43 0.00 0.00 57.03 56.00 3gjx h ASP 284 Cb 0.41 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.06 3gjx h ASP 284 CO -0.00 0.82 2.37 0.52 -1.57 0.00 0.00 179.24 181.38 3gjx n VAL 285 N -4.69 4.16 0.00 -1.35 0.31 -0.60 -4.61 118.33 111.56 3gjx n VAL 285 Ca -0.08 -4.00 0.00 0.00 -0.01 0.00 0.00 64.34 60.24 3gjx n VAL 285 Cb 0.37 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 3gjx n VAL 285 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gjx n LEU 286 N 4.32 0.00 0.00 7.52 4.32 -1.23 -4.90 117.00 127.04 3gjx n LEU 286 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 3gjx n LEU 286 Cb 0.36 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 3gjx n LEU 286 CO 0.84 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 3gjx n GLY 287 N -1.37 1.11 2.93 -0.72 0.00 -1.24 -5.06 105.19 100.84 3gjx n GLY 287 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3gjx n GLY 287 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gjx n HIS 349 N 0.00 -2.63 -4.97 1.61 -0.00 -1.26 -4.90 115.22 103.07 3gjx n HIS 349 Ca 0.00 1.15 -0.32 0.00 -0.00 0.00 0.00 57.72 58.55 3gjx n HIS 349 Cb 0.00 -2.95 -0.14 0.00 -0.00 0.00 0.00 29.99 26.90 3gjx n HIS 349 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3gjx s SER 350 N -1.52 3.80 0.00 0.41 0.01 -1.26 -5.12 113.70 110.01 3gjx s SER 350 Ca 0.05 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3gjx s SER 350 Cb -0.01 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.50 3gjx s SER 350 CO 0.54 0.33 0.00 -2.65 0.41 0.00 0.00 173.24 171.88 3gjx n PRO 351 N 2.27 0.00 -1.43 12.44 -0.02 -1.26 -5.02 135.00 142.00 3gjx n PRO 351 Ca -0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.94 3gjx n PRO 351 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.04 3gjx n PRO 351 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gjx n ASP 352 N -1.10 -1.01 -3.84 2.55 5.68 -1.26 -5.13 116.55 112.45 3gjx n ASP 352 Ca 0.00 0.70 -0.12 0.00 -0.50 0.00 0.00 54.79 54.87 3gjx n ASP 352 Cb 0.00 -1.19 -0.12 0.00 -1.14 0.00 0.00 41.12 38.67 3gjx n ASP 352 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 3gjx s HIS 353 N -1.75 -0.10 0.38 2.11 -3.43 -1.26 -5.17 115.29 106.07 3gjx s HIS 353 Ca 0.68 0.24 -0.27 0.00 -0.80 0.00 0.00 55.06 54.92 3gjx s HIS 353 Cb -0.42 0.02 -0.09 0.00 -1.43 0.00 0.00 32.58 30.66 3gjx s HIS 353 CO 0.55 -0.11 1.28 -2.14 -2.00 0.00 0.00 174.74 172.32 3gjx s PRO 354 N -0.24 4.11 -0.05 -0.38 0.02 -1.26 -4.97 135.00 132.24 3gjx s PRO 354 Ca -0.03 2.13 0.18 0.00 0.02 0.00 0.00 61.00 63.29 3gjx s PRO 354 Cb -0.02 -2.85 -0.22 0.00 0.02 0.00 0.00 34.50 31.43 3gjx s PRO 354 CO 0.00 -0.36 0.51 0.41 -0.33 0.00 0.00 177.00 177.23 3gjx n GLY 355 N 0.71 -1.08 3.52 0.52 0.00 -1.26 -4.70 105.19 102.91 3gjx n GLY 355 Ca 0.02 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 3gjx n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx n LEU 357 N 5.02 7.22 0.00 0.00 -0.00 -1.26 -5.00 117.00 122.98 3gjx n LEU 357 Ca -0.14 -4.54 -0.28 0.00 -0.00 0.00 0.00 56.01 51.05 3gjx n LEU 357 Cb 0.51 -0.91 0.25 0.00 -0.00 0.00 0.00 43.42 43.27 3gjx n LEU 357 CO 0.33 1.66 0.46 0.23 -0.00 0.00 0.00 177.39 180.07 3gjx n MET 358 N -0.77 -3.71 -1.57 1.47 2.81 -1.26 -4.82 117.12 109.27 3gjx n MET 358 Ca 0.57 -1.49 -0.43 0.00 -1.81 0.00 0.00 57.70 54.53 3gjx n MET 358 Cb 0.57 -1.61 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 3gjx n MET 358 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3gjx n GLU 359 N -4.99 1.73 0.00 0.03 2.13 -1.26 -5.19 120.64 113.10 3gjx n GLU 359 Ca 0.13 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3gjx n GLU 359 Cb 0.55 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 29.10 3gjx n GLU 359 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81