#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngx s LEU 2 N 0.00 4.19 -0.16 -1.84 0.20 -1.26 -5.03 118.68 114.77 1ngx s LEU 2 Ca 0.00 1.24 -0.13 0.00 0.69 0.00 0.00 54.13 55.93 1ngx s LEU 2 Cb 0.00 -3.30 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 1ngx s LEU 2 CO 0.00 -0.41 0.27 -0.69 -0.29 0.00 0.00 176.35 175.22 1ngx s VAL 3 N 2.15 5.32 -0.36 1.68 1.01 -1.26 -4.70 120.40 124.23 1ngx s VAL 3 Ca 0.40 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 1ngx s VAL 3 Cb -0.17 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1ngx s VAL 3 CO 0.13 0.40 0.19 -0.04 0.00 0.00 0.00 175.10 175.78 1ngx s MET 4 N 0.40 2.85 -0.42 2.72 1.00 -1.26 -1.54 119.30 123.05 1ngx s MET 4 Ca 0.15 -1.06 -0.19 0.00 0.00 0.00 0.00 55.69 54.59 1ngx s MET 4 Cb -0.13 -3.68 0.02 0.00 0.00 0.00 0.00 34.83 31.04 1ngx s MET 4 CO 0.03 -0.67 0.56 0.99 0.00 0.00 0.00 175.02 175.93 1ngx s THR 5 N 1.54 4.94 -0.13 2.05 2.01 -0.06 -4.08 115.64 121.91 1ngx s THR 5 Ca 0.02 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1ngx s THR 5 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1ngx s THR 5 CO 0.06 -0.50 0.12 -1.58 -0.69 0.00 0.00 174.62 172.03 1ngx s GLN 6 N 2.54 3.51 -0.04 4.92 0.74 -1.26 -0.70 119.66 129.37 1ngx s GLN 6 Ca 0.19 -0.18 -0.09 0.00 0.05 0.00 0.00 55.36 55.32 1ngx s GLN 6 Cb -0.15 -3.18 0.01 0.00 1.10 0.00 0.00 33.01 30.80 1ngx s GLN 6 CO 0.17 0.68 0.21 -0.08 -0.55 0.00 0.00 175.29 175.72 1ngx s THR 7 N -0.76 0.04 0.90 -0.34 -1.32 -0.18 -4.62 115.64 109.37 1ngx s THR 7 Ca 0.13 -0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.16 1ngx s THR 7 Cb -0.12 -0.41 0.20 0.00 -1.51 0.00 0.00 72.50 70.66 1ngx s THR 7 CO 0.03 -0.18 1.23 -0.81 -2.21 0.00 0.00 174.62 172.68 1ngx n PRO 8 N 2.13 -1.01 -0.01 7.08 -0.04 -1.26 -1.11 135.00 140.77 1ngx n PRO 8 Ca -0.18 -2.16 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1ngx n PRO 8 Cb 0.57 -1.19 -0.13 0.00 -0.04 0.00 0.00 33.50 32.71 1ngx n PRO 8 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ngx h LYS 9 N 0.00 0.00 -3.99 0.54 1.57 -1.82 -3.40 116.57 109.47 1ngx h LYS 9 Ca -0.40 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.16 1ngx h LYS 9 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.23 1ngx h LYS 9 CO 0.31 0.53 -0.72 0.12 -0.57 0.00 0.00 179.45 179.12 1ngx s PHE 10 N -2.63 0.24 -0.13 -1.35 2.19 -1.26 -1.07 117.98 113.97 1ngx s PHE 10 Ca -0.04 -0.28 -0.10 0.00 0.33 0.00 0.00 56.93 56.83 1ngx s PHE 10 Cb 0.08 -0.16 0.04 0.00 -1.31 0.00 0.00 43.02 41.67 1ngx s PHE 10 CO 0.82 -0.09 0.33 1.41 1.83 0.00 0.00 175.22 179.53 1ngx s MET 11 N -0.79 0.37 -0.22 10.12 1.75 0.33 -4.91 119.30 125.95 1ngx s MET 11 Ca -0.07 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1ngx s MET 11 Cb -0.05 0.12 0.03 0.00 2.84 0.00 0.00 34.83 37.76 1ngx s MET 11 CO -0.00 -0.08 -0.13 -1.54 -0.65 0.00 0.00 175.02 172.62 1ngx s SER 12 N 0.48 3.82 -0.04 1.11 1.04 -1.26 0.35 113.70 119.20 1ngx s SER 12 Ca -0.02 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.64 1ngx s SER 12 Cb -0.04 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 1ngx s SER 12 CO -0.02 -0.07 -0.19 -0.89 0.98 0.00 0.00 173.24 173.04 1ngx s THR 13 N 1.29 1.54 0.48 2.02 2.01 -0.14 -4.78 115.64 118.06 1ngx s THR 13 Ca 0.01 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1ngx s THR 13 Cb -0.15 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 1ngx s THR 13 CO -0.08 0.44 0.95 -0.94 -0.69 0.00 0.00 174.62 174.30 1ngx s SER 14 N -0.13 6.67 0.28 3.53 1.04 -1.26 -0.21 113.70 123.62 1ngx s SER 14 Ca -0.01 1.54 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 1ngx s SER 14 Cb -0.11 -2.49 -0.12 0.00 0.10 0.00 0.00 66.02 63.40 1ngx s SER 14 CO 0.02 -0.52 1.60 1.33 0.98 0.00 0.00 173.24 176.64 1ngx n VAL 15 N -1.37 0.88 0.00 5.02 0.24 -1.26 -1.88 118.33 119.97 1ngx n VAL 15 Ca 0.06 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1ngx n VAL 15 Cb 0.54 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 1ngx n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngx n GLY 16 N 2.40 2.69 3.92 7.63 0.00 0.77 -4.90 105.19 117.70 1ngx n GLY 16 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1ngx n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ngx s ASP 17 N -1.28 4.95 0.03 1.61 -0.00 -0.79 -3.91 116.67 117.29 1ngx s ASP 17 Ca 0.00 0.58 -0.09 0.00 -0.00 0.00 0.00 52.55 53.04 1ngx s ASP 17 Cb 0.00 -1.28 -0.05 0.00 -0.00 0.00 0.00 42.92 41.59 1ngx s ASP 17 CO 0.00 -1.53 0.33 -0.60 -0.00 0.00 0.00 175.17 173.37 1ngx s ARG 18 N -5.25 3.68 -0.11 8.23 3.52 -1.26 -1.35 118.95 126.40 1ngx s ARG 18 Ca 0.59 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 1ngx s ARG 18 Cb -0.11 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1ngx s ARG 18 CO 0.46 0.62 -0.15 0.08 -0.81 0.00 0.00 175.30 175.49 1ngx s VAL 19 N -1.31 2.86 -0.13 7.11 1.01 0.22 -4.96 120.40 125.19 1ngx s VAL 19 Ca 0.29 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1ngx s VAL 19 Cb -0.14 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ngx s VAL 19 CO 0.16 0.54 -0.09 -0.55 0.00 0.00 0.00 175.10 175.16 1ngx s SER 20 N 0.21 2.45 -0.04 3.32 0.15 -1.26 -0.36 113.70 118.17 1ngx s SER 20 Ca -0.10 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.18 1ngx s SER 20 Cb -0.16 -0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 63.19 1ngx s SER 20 CO 0.06 -0.11 -0.21 -0.63 1.20 0.00 0.00 173.24 173.54 1ngx s ILE 21 N 1.63 1.70 0.16 6.45 1.01 -0.24 -4.73 121.20 127.18 1ngx s ILE 21 Ca 0.04 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1ngx s ILE 21 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1ngx s ILE 21 CO -0.09 0.48 -0.25 0.42 0.00 0.00 0.00 174.94 175.50 1ngx s THR 22 N -0.18 2.27 -0.05 2.92 -4.23 -0.27 -0.56 115.64 115.55 1ngx s THR 22 Ca -0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1ngx s THR 22 Cb -0.11 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1ngx s THR 22 CO 0.02 -0.04 -0.03 0.00 -0.54 0.00 0.00 174.62 174.03 1ngx s LYS 24 N 1.10 3.32 0.07 0.00 2.47 0.12 -0.96 119.74 125.87 1ngx s LYS 24 Ca -0.08 -0.67 -0.21 0.00 -1.56 0.00 0.00 55.97 53.45 1ngx s LYS 24 Cb -0.14 -2.88 -0.07 0.00 -1.46 0.00 0.00 37.83 33.29 1ngx s LYS 24 CO -0.01 -0.13 0.62 0.00 0.16 0.00 0.00 175.35 175.99 1ngx s ALA 25 N 1.26 3.53 0.16 3.13 0.00 0.65 -0.88 121.76 129.61 1ngx s ALA 25 Ca 0.03 0.10 0.35 0.00 0.00 0.00 0.00 51.96 52.44 1ngx s ALA 25 Cb -0.14 -2.73 1.54 0.00 0.00 0.00 0.00 23.12 21.79 1ngx s ALA 25 CO -0.03 0.31 2.03 0.66 0.00 0.00 0.00 175.76 178.73 1ngx h SER 26 N 4.80 0.00 -5.20 0.00 4.64 -1.61 -3.44 113.55 112.73 1ngx h SER 26 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 1ngx h SER 26 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1ngx h SER 26 CO 0.66 0.00 -0.63 -1.10 -0.87 0.00 0.00 176.83 174.89 1ngx s GLN 27 N -3.73 0.62 0.16 4.77 -0.21 -1.26 -5.01 119.66 115.01 1ngx s GLN 27 Ca 0.00 -1.12 -0.31 0.00 0.02 0.00 0.00 55.36 53.95 1ngx s GLN 27 Cb 0.10 0.22 -0.11 0.00 1.00 0.00 0.00 33.01 34.22 1ngx s GLN 27 CO 0.50 -0.13 1.79 1.21 -2.12 0.00 0.00 175.29 176.53 1ngx s ASN 28 N -2.77 6.40 -0.08 5.90 2.47 -1.26 -4.74 114.94 120.85 1ngx s ASN 28 Ca 0.05 2.82 0.12 0.00 0.42 0.00 0.00 52.86 56.26 1ngx s ASN 28 Cb 0.06 -2.58 0.19 0.00 -1.45 0.00 0.00 41.25 37.47 1ngx s ASN 28 CO -0.09 -0.99 1.08 1.33 -3.72 0.00 0.00 177.10 174.71 1ngx n VAL 29 N 4.41 1.47 0.00 -5.21 0.24 -0.09 -4.99 118.33 114.15 1ngx n VAL 29 Ca 0.17 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 1ngx n VAL 29 Cb 0.37 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1ngx n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngx n GLY 30 N -1.05 4.21 0.12 7.63 0.00 -1.24 -1.70 105.19 113.15 1ngx n GLY 30 Ca 0.10 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1ngx n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngx n THR 31 N 0.00 1.44 -1.41 2.61 -2.24 -1.26 -1.09 114.28 112.33 1ngx n THR 31 Ca 0.00 -1.71 -0.39 0.00 -2.27 0.00 0.00 64.05 59.68 1ngx n THR 31 Cb 0.00 -0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1ngx n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ngx n ALA 32 N -1.07 6.58 -2.64 6.98 0.00 -0.69 -2.05 120.51 127.63 1ngx n ALA 32 Ca 0.11 -3.55 -0.20 0.00 0.00 0.00 0.00 53.44 49.80 1ngx n ALA 32 Cb 0.59 -3.42 -0.14 0.00 0.00 0.00 0.00 19.45 16.48 1ngx n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngx s VAL 33 N 2.69 1.00 0.12 0.00 1.01 -1.26 -3.16 120.40 120.80 1ngx s VAL 33 Ca 0.60 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1ngx s VAL 33 Cb 0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1ngx s VAL 33 CO -0.06 0.13 -0.13 0.00 0.00 0.00 0.00 175.10 175.03 1ngx s ALA 34 N -0.57 1.45 -0.05 5.51 0.00 -0.36 -0.04 121.76 127.70 1ngx s ALA 34 Ca 0.03 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1ngx s ALA 34 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1ngx s ALA 34 CO 0.00 0.06 -0.20 -1.58 0.00 0.00 0.00 175.76 174.04 1ngx s TRP 35 N -2.32 1.98 0.18 0.00 0.52 -0.23 -1.17 118.94 117.90 1ngx s TRP 35 Ca 0.09 -0.57 0.10 0.00 0.02 0.00 0.00 56.10 55.75 1ngx s TRP 35 Cb -0.04 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1ngx s TRP 35 CO 0.02 -0.18 -0.21 0.71 0.02 0.00 0.00 176.95 177.31 1ngx s TYR 36 N -0.06 2.08 -0.10 -1.98 1.51 0.65 -0.88 117.35 118.57 1ngx s TYR 36 Ca -0.03 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1ngx s TYR 36 Cb -0.12 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1ngx s TYR 36 CO 0.03 0.43 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.60 1ngx s GLN 37 N -2.74 2.18 -0.26 -0.62 0.74 -0.15 -1.67 119.66 117.14 1ngx s GLN 37 Ca 0.19 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.05 1ngx s GLN 37 Cb -0.07 -1.82 0.07 0.00 1.10 0.00 0.00 33.01 32.29 1ngx s GLN 37 CO 0.09 -0.02 -0.04 -1.14 -0.55 0.00 0.00 175.29 173.63 1ngx s GLN 38 N 0.86 1.61 0.45 1.67 0.74 0.70 -0.29 119.66 125.40 1ngx s GLN 38 Ca -0.09 -1.15 -0.11 0.00 0.05 0.00 0.00 55.36 54.05 1ngx s GLN 38 Cb -0.15 -2.65 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 1ngx s GLN 38 CO 0.01 -0.67 0.83 0.15 -0.55 0.00 0.00 175.29 175.06 1ngx s LYS 39 N 1.32 3.78 0.09 1.67 1.02 -1.26 -1.46 119.74 124.89 1ngx s LYS 39 Ca -0.03 0.57 -0.37 0.00 0.02 0.00 0.00 55.97 56.16 1ngx s LYS 39 Cb -0.19 -2.32 -0.17 0.00 -0.52 0.00 0.00 37.83 34.64 1ngx s LYS 39 CO -0.08 -0.13 1.31 -0.35 -0.92 0.00 0.00 175.35 175.18 1ngx n PRO 40 N -1.53 1.07 -1.03 -1.68 -0.04 -1.26 -0.82 135.00 129.71 1ngx n PRO 40 Ca 0.03 0.39 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1ngx n PRO 40 Cb 0.54 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1ngx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ngx n GLY 41 N 2.42 0.29 3.59 0.55 0.00 -1.26 -4.99 105.19 105.79 1ngx n GLY 41 Ca 0.18 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ngx n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ngx s GLN 42 N -1.31 1.90 0.40 1.61 -1.52 -0.00 -5.14 119.66 115.60 1ngx s GLN 42 Ca 0.00 -2.06 -0.05 0.00 -1.95 0.00 0.00 55.36 51.31 1ngx s GLN 42 Cb 0.00 -1.60 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 1ngx s GLN 42 CO 0.00 -0.01 0.69 -1.12 -0.25 0.00 0.00 175.29 174.59 1ngx s SER 43 N -3.67 6.35 0.46 5.90 0.01 -1.26 -4.61 113.70 116.88 1ngx s SER 43 Ca 0.34 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 58.18 1ngx s SER 43 Cb 0.08 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1ngx s SER 43 CO 0.17 -0.42 1.40 -2.84 0.41 0.00 0.00 173.24 171.97 1ngx s PRO 44 N -4.28 3.61 -0.08 12.44 0.02 -1.26 -4.60 135.00 140.84 1ngx s PRO 44 Ca 0.46 2.36 0.04 0.00 0.02 0.00 0.00 61.00 63.88 1ngx s PRO 44 Cb -0.10 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.82 1ngx s PRO 44 CO 0.38 -0.86 -0.22 0.21 -0.33 0.00 0.00 177.00 176.18 1ngx s LYS 45 N -2.52 2.86 -0.06 5.54 2.20 0.60 -4.93 119.74 123.43 1ngx s LYS 45 Ca 0.63 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1ngx s LYS 45 Cb -0.43 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1ngx s LYS 45 CO 0.54 0.30 1.23 -1.17 -0.36 0.00 0.00 175.35 175.89 1ngx s LEU 46 N 0.05 4.27 -0.21 5.43 2.96 -1.26 -0.98 118.68 128.95 1ngx s LEU 46 Ca -0.09 1.84 -0.11 0.00 -0.22 0.00 0.00 54.13 55.55 1ngx s LEU 46 Cb -0.15 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1ngx s LEU 46 CO 0.06 -0.62 -0.28 0.18 -1.32 0.00 0.00 176.35 174.37 1ngx n LEU 47 N 5.35 1.53 -4.12 -0.68 4.77 -0.06 -4.75 117.00 119.04 1ngx n LEU 47 Ca 0.11 0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 56.12 1ngx n LEU 47 Cb 0.46 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1ngx n LEU 47 CO 0.56 0.37 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.87 1ngx s ILE 48 N -2.42 1.23 0.15 -0.08 -1.09 -1.08 -1.06 121.20 116.85 1ngx s ILE 48 Ca -0.29 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1ngx s ILE 48 Cb 0.11 -1.04 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 1ngx s ILE 48 CO 0.37 0.35 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.58 1ngx s TYR 49 N -0.24 1.47 -1.52 3.97 1.13 -0.05 -1.07 117.35 121.04 1ngx s TYR 49 Ca 0.03 -0.62 -0.09 0.00 -1.41 0.00 0.00 57.07 54.99 1ngx s TYR 49 Cb -0.07 -0.73 0.07 0.00 -1.10 0.00 0.00 41.96 40.12 1ngx s TYR 49 CO 0.00 0.20 0.67 0.45 -2.51 0.00 0.00 175.55 174.36 1ngx n SER 50 N 0.05 -2.23 0.00 -0.18 2.88 -0.89 -1.33 113.62 111.92 1ngx n SER 50 Ca -0.12 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1ngx n SER 50 Cb 0.59 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 1ngx n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ngx n ALA 51 N -4.44 0.00 -0.62 -1.46 0.00 0.94 -4.17 120.51 110.76 1ngx n ALA 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ngx n ALA 51 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ngx n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngx n SER 52 N 1.05 0.50 -4.66 0.00 3.41 -1.20 -2.95 113.62 109.76 1ngx n SER 52 Ca 0.00 -1.12 -0.39 0.00 -0.26 0.00 0.00 58.87 57.10 1ngx n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ngx n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ngx s ASN 53 N -0.12 6.52 0.04 4.04 -0.87 -0.45 -4.62 114.94 119.48 1ngx s ASN 53 Ca 0.00 0.63 -0.30 0.00 -1.57 0.00 0.00 52.86 51.61 1ngx s ASN 53 Cb 0.00 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 1ngx s ASN 53 CO 0.00 -0.15 1.03 -0.13 -2.57 0.00 0.00 177.10 175.28 1ngx s ARG 54 N 1.54 4.56 0.57 -0.60 0.52 -1.26 -0.87 118.95 123.40 1ngx s ARG 54 Ca 0.22 1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 56.75 1ngx s ARG 54 Cb -0.15 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1ngx s ARG 54 CO 0.09 -0.05 1.17 -0.47 0.02 0.00 0.00 175.30 176.06 1ngx s TYR 55 N 0.82 2.52 0.15 -0.53 5.04 -0.22 -4.89 117.35 120.25 1ngx s TYR 55 Ca 0.52 1.53 -0.34 0.00 -2.44 0.00 0.00 57.07 56.34 1ngx s TYR 55 Cb -0.23 -3.39 -0.15 0.00 0.35 0.00 0.00 41.96 38.54 1ngx s TYR 55 CO 0.29 -1.91 1.36 2.41 -1.34 0.00 0.00 175.55 176.36 1ngx n THR 56 N -1.49 0.39 0.00 4.34 -1.04 -1.26 -1.77 114.28 113.45 1ngx n THR 56 Ca 0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1ngx n THR 56 Cb 0.50 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1ngx n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ngx n GLY 57 N 2.55 3.07 3.70 3.41 0.00 -1.26 -5.03 105.19 111.61 1ngx n GLY 57 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1ngx n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ngx s VAL 58 N -2.47 3.70 0.75 1.61 -7.23 -0.73 -4.98 120.40 111.05 1ngx s VAL 58 Ca 0.00 1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 61.16 1ngx s VAL 58 Cb 0.00 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.26 1ngx s VAL 58 CO 0.00 0.03 1.22 -2.16 -0.31 0.00 0.00 175.10 173.88 1ngx s PRO 59 N 1.96 2.01 0.41 4.82 0.04 -1.26 -4.87 135.00 138.12 1ngx s PRO 59 Ca 0.63 1.80 0.28 0.00 0.04 0.00 0.00 61.00 63.75 1ngx s PRO 59 Cb -0.32 -1.81 1.51 0.00 0.04 0.00 0.00 34.50 33.92 1ngx s PRO 59 CO 0.27 -1.94 1.85 0.38 0.04 0.00 0.00 177.00 177.60 1ngx h ASP 60 N -0.40 0.00 0.08 6.66 3.04 -2.01 -2.22 116.42 121.57 1ngx h ASP 60 Ca -0.48 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.31 1ngx h ASP 60 Cb 1.30 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1ngx h ASP 60 CO 0.49 0.00 -0.03 0.03 -2.04 0.00 0.00 179.24 177.68 1ngx h ARG 61 N 0.00 0.00 -5.15 4.15 3.08 -1.90 -3.39 114.38 111.17 1ngx h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1ngx h ARG 61 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.91 1ngx h ARG 61 CO 0.00 0.03 -0.23 -0.06 -1.07 0.00 0.00 179.97 178.65 1ngx s PHE 62 N -4.63 3.24 -0.06 3.04 0.08 -0.84 -1.57 117.98 117.25 1ngx s PHE 62 Ca -0.05 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1ngx s PHE 62 Cb 0.15 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1ngx s PHE 62 CO 0.58 -0.25 -0.10 0.99 -0.10 0.00 0.00 175.22 176.33 1ngx s THR 63 N 2.08 1.01 -0.09 0.64 2.01 0.06 -4.95 115.64 116.40 1ngx s THR 63 Ca 0.15 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1ngx s THR 63 Cb -0.16 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1ngx s THR 63 CO 0.10 0.33 0.00 -0.83 -0.69 0.00 0.00 174.62 173.53 1ngx s GLY 64 N 0.78 1.85 0.17 4.40 0.00 -1.26 -0.32 107.32 112.94 1ngx s GLY 64 Ca -0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 1ngx s GLY 64 CO 0.02 -0.52 0.29 -1.35 0.00 0.00 0.00 173.10 171.54 1ngx s SER 65 N -0.78 0.04 0.00 1.64 1.04 -0.25 -4.17 113.70 111.22 1ngx s SER 65 Ca 0.12 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1ngx s SER 65 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ngx s SER 65 CO 0.02 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1ngx n GLY 66 N -0.23 2.51 3.52 7.32 0.00 -1.26 -1.17 105.19 115.88 1ngx n GLY 66 Ca -0.06 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1ngx n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ngx s SER 67 N 0.00 -0.50 0.00 1.61 1.04 -1.17 -4.85 113.70 109.83 1ngx s SER 67 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ngx s SER 67 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1ngx s SER 67 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1ngx n GLY 68 N -0.40 2.10 0.00 7.32 0.00 -0.25 -3.49 105.19 110.48 1ngx n GLY 68 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ngx n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngx n THR 69 N 0.00 0.00 -3.78 2.61 -2.24 -1.26 -0.92 114.28 108.69 1ngx n THR 69 Ca 0.00 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 1ngx n THR 69 Cb 0.00 0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 1ngx n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ngx s ASP 70 N -1.36 5.02 0.13 3.42 1.01 -1.23 -0.25 116.67 123.41 1ngx s ASP 70 Ca 0.00 -0.62 0.10 0.00 0.71 0.00 0.00 52.55 52.73 1ngx s ASP 70 Cb 0.00 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1ngx s ASP 70 CO 0.00 -0.15 -0.23 -0.36 0.21 0.00 0.00 175.17 174.64 1ngx s PHE 71 N 1.51 2.02 0.01 4.23 0.40 -0.13 -3.04 117.98 122.98 1ngx s PHE 71 Ca 0.03 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1ngx s PHE 71 Cb -0.17 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.28 1ngx s PHE 71 CO 0.02 0.30 -0.02 0.99 0.70 0.00 0.00 175.22 177.21 1ngx s THR 72 N -1.33 0.11 -0.15 0.64 2.01 -0.32 -1.11 115.64 115.49 1ngx s THR 72 Ca 0.12 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1ngx s THR 72 Cb -0.09 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1ngx s THR 72 CO 0.06 -0.10 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.46 1ngx s LEU 73 N -0.37 2.13 -0.09 4.42 2.96 0.27 -1.09 118.68 126.91 1ngx s LEU 73 Ca -0.03 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1ngx s LEU 73 Cb -0.03 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1ngx s LEU 73 CO -0.00 0.06 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.00 1ngx s THR 74 N 0.94 2.46 -0.23 3.68 2.01 0.56 -1.07 115.64 123.98 1ngx s THR 74 Ca -0.04 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1ngx s THR 74 Cb -0.15 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 70.45 1ngx s THR 74 CO -0.05 0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 1ngx s ILE 75 N 0.12 2.06 0.30 1.82 1.01 0.51 -0.76 121.20 126.26 1ngx s ILE 75 Ca -0.10 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.22 1ngx s ILE 75 Cb -0.16 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1ngx s ILE 75 CO 0.06 0.15 0.45 -0.94 0.00 0.00 0.00 174.94 174.66 1ngx s SER 76 N 1.19 6.26 -1.33 3.58 1.04 -0.61 0.69 113.70 124.53 1ngx s SER 76 Ca -0.04 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.49 1ngx s SER 76 Cb -0.18 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1ngx s SER 76 CO -0.08 -0.21 0.51 -3.20 0.98 0.00 0.00 173.24 171.24 1ngx n ASN 77 N -1.60 -1.95 -4.55 7.02 5.15 -1.19 -4.78 115.26 113.35 1ngx n ASN 77 Ca -0.06 -1.07 -0.54 0.00 -0.60 0.00 0.00 54.58 52.31 1ngx n ASN 77 Cb 0.57 -2.84 -0.06 0.00 -0.53 0.00 0.00 39.78 36.91 1ngx n ASN 77 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1ngx n MET 78 N -4.44 0.69 -4.10 1.20 0.00 -0.46 -4.48 117.12 105.54 1ngx n MET 78 Ca -0.23 0.25 -0.29 0.00 -0.00 0.00 0.00 57.70 57.43 1ngx n MET 78 Cb 0.65 -1.80 -0.07 0.00 0.00 0.00 0.00 33.22 32.00 1ngx n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ngx s GLN 79 N 0.15 2.75 0.54 2.12 -1.52 -1.26 -0.16 119.66 122.26 1ngx s GLN 79 Ca 0.85 -0.83 0.24 0.00 -1.95 0.00 0.00 55.36 53.66 1ngx s GLN 79 Cb -1.05 -2.61 1.40 0.00 -0.22 0.00 0.00 33.01 30.52 1ngx s GLN 79 CO 0.51 0.52 2.04 0.66 -0.25 0.00 0.00 175.29 178.77 1ngx h SER 80 N 2.99 0.00 0.44 5.90 4.64 -1.94 0.59 113.55 126.18 1ngx h SER 80 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngx h SER 80 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ngx h SER 80 CO 0.63 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.94 1ngx n GLU 81 N -4.33 0.58 0.00 4.77 4.71 -1.26 -3.53 120.64 121.58 1ngx n GLU 81 Ca 0.06 -0.06 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 1ngx n GLU 81 Cb 0.47 -1.50 0.75 0.00 -1.01 0.00 0.00 31.44 30.15 1ngx n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ngx n ASP 82 N -1.16 0.28 -4.76 1.62 8.00 0.20 -4.87 116.55 115.87 1ngx n ASP 82 Ca 0.16 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.59 1ngx n ASP 82 Cb 0.23 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1ngx n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ngx s LEU 83 N -2.32 4.34 0.00 0.64 0.05 -1.23 -4.89 118.68 115.26 1ngx s LEU 83 Ca 0.35 2.98 0.00 0.00 0.05 0.00 0.00 54.13 57.52 1ngx s LEU 83 Cb 0.21 -3.65 0.00 0.00 -2.05 0.00 0.00 46.19 40.70 1ngx s LEU 83 CO 0.43 -0.90 0.00 0.00 -0.55 0.00 0.00 176.35 175.33 1ngx n ALA 84 N 1.58 0.00 -2.78 1.48 0.00 -1.02 -4.71 120.51 115.06 1ngx n ALA 84 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1ngx n ALA 84 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 1ngx n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ngx s ASP 85 N -0.36 6.07 -0.09 0.00 -0.00 -0.54 -1.14 116.67 120.62 1ngx s ASP 85 Ca 0.00 0.24 0.02 0.00 -0.00 0.00 0.00 52.55 52.81 1ngx s ASP 85 Cb 0.00 -2.04 -0.02 0.00 -0.00 0.00 0.00 42.92 40.87 1ngx s ASP 85 CO 0.00 0.23 -0.15 -0.31 -0.00 0.00 0.00 175.17 174.93 1ngx s TYR 86 N 0.06 2.72 0.05 4.23 2.02 -0.14 -0.22 117.35 126.07 1ngx s TYR 86 Ca 0.08 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1ngx s TYR 86 Cb -0.11 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1ngx s TYR 86 CO -0.00 -0.10 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.71 1ngx s PHE 87 N -0.05 0.97 0.42 2.71 0.40 -0.67 -0.59 117.98 121.16 1ngx s PHE 87 Ca -0.04 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1ngx s PHE 87 Cb -0.14 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 1ngx s PHE 87 CO 0.04 -0.00 0.42 0.00 0.70 0.00 0.00 175.22 176.38 1ngx s GLN 89 N -4.18 0.78 0.00 0.00 0.74 -0.32 -1.43 119.66 115.25 1ngx s GLN 89 Ca 0.50 0.01 0.10 0.00 0.05 0.00 0.00 55.36 56.01 1ngx s GLN 89 Cb -0.05 0.36 0.03 0.00 1.10 0.00 0.00 33.01 34.45 1ngx s GLN 89 CO 0.29 -0.22 0.69 0.00 -0.55 0.00 0.00 175.29 175.50 1ngx n GLN 90 N 1.28 1.46 -0.14 1.67 -0.00 -0.90 -1.22 117.38 119.53 1ngx n GLN 90 Ca -0.20 -0.78 0.00 0.00 -0.00 0.00 0.00 57.00 56.02 1ngx n GLN 90 Cb 0.56 -1.11 0.00 0.00 -0.00 0.00 0.00 30.24 29.69 1ngx n GLN 90 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ngx n TYR 91 N 0.05 0.00 -0.08 2.61 0.18 -1.19 -4.32 117.16 114.42 1ngx n TYR 91 Ca 0.05 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.61 1ngx n TYR 91 Cb 0.22 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.06 1ngx n TYR 91 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1ngx n SER 92 N 0.00 2.01 -4.47 9.48 2.88 -1.26 -4.95 113.62 117.31 1ngx n SER 92 Ca 0.00 0.18 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 1ngx n SER 92 Cb 0.00 -0.76 -0.13 0.00 -0.75 0.00 0.00 64.21 62.57 1ngx n SER 92 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ngx s SER 93 N -6.94 3.91 -0.06 -3.46 0.15 -1.26 -5.12 113.70 100.92 1ngx s SER 93 Ca -0.30 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 1ngx s SER 93 Cb 0.08 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 1ngx s SER 93 CO 0.64 0.29 0.30 -0.31 1.20 0.00 0.00 173.24 175.36 1ngx s TYR 94 N -0.86 3.66 0.54 3.44 2.02 -1.26 -3.39 117.35 121.50 1ngx s TYR 94 Ca 0.14 0.79 -0.18 0.00 -0.37 0.00 0.00 57.07 57.44 1ngx s TYR 94 Cb -0.11 -2.17 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 1ngx s TYR 94 CO 0.04 0.64 1.05 -1.25 -1.57 0.00 0.00 175.55 174.46 1ngx s PRO 95 N -0.90 3.54 0.35 -1.71 0.04 -1.26 -4.89 135.00 130.17 1ngx s PRO 95 Ca 0.20 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1ngx s PRO 95 Cb -0.15 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1ngx s PRO 95 CO 0.09 -0.64 1.44 -0.51 0.04 0.00 0.00 177.00 177.42 1ngx s LEU 96 N -4.01 4.35 0.13 -3.56 1.02 -1.22 -4.67 118.68 110.72 1ngx s LEU 96 Ca 0.66 2.93 0.05 0.00 0.02 0.00 0.00 54.13 57.78 1ngx s LEU 96 Cb -0.16 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.35 1ngx s LEU 96 CO 0.29 -0.77 -0.12 0.42 0.02 0.00 0.00 176.35 176.19 1ngx s THR 97 N -1.00 1.20 0.21 5.49 -4.23 -1.26 -5.01 115.64 111.04 1ngx s THR 97 Ca 0.53 -1.86 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1ngx s THR 97 Cb -0.44 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 1ngx s THR 97 CO 0.58 -0.59 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.48 1ngx s PHE 98 N -2.73 2.27 0.76 3.99 0.08 -1.26 -2.11 117.98 118.98 1ngx s PHE 98 Ca 0.12 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 1ngx s PHE 98 Cb -0.01 -1.10 0.05 0.00 -0.57 0.00 0.00 43.02 41.39 1ngx s PHE 98 CO 0.02 0.53 1.11 0.20 -0.10 0.00 0.00 175.22 176.98 1ngx s GLY 99 N -2.84 1.62 0.36 4.36 0.00 -0.52 -4.50 107.32 105.80 1ngx s GLY 99 Ca 0.22 -0.34 0.27 0.00 0.00 0.00 0.00 44.72 44.87 1ngx s GLY 99 CO 0.11 0.08 1.80 -1.33 0.00 0.00 0.00 173.10 173.76 1ngx h GLY 100 N -0.90 0.00 0.00 0.20 0.00 -1.87 -3.42 103.07 97.08 1ngx h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ngx h GLY 100 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 1ngx n GLY 101 N -0.16 1.33 2.91 4.60 0.00 -1.26 -5.03 105.19 107.58 1ngx n GLY 101 Ca 0.01 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 1ngx n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngx s THR 102 N -2.69 0.90 -0.35 2.61 2.01 0.24 -4.56 115.64 113.79 1ngx s THR 102 Ca 0.00 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 1ngx s THR 102 Cb 0.00 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 1ngx s THR 102 CO 0.00 0.33 0.57 -0.75 -0.69 0.00 0.00 174.62 174.09 1ngx s LYS 103 N 1.45 3.64 -0.29 4.92 2.20 -0.23 -0.97 119.74 130.46 1ngx s LYS 103 Ca -0.01 -0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 1ngx s LYS 103 Cb -0.13 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1ngx s LYS 103 CO -0.04 -0.69 0.17 0.08 -0.36 0.00 0.00 175.35 174.51 1ngx s VAL 104 N 2.55 5.00 0.19 4.02 1.01 -0.29 -0.51 120.40 132.37 1ngx s VAL 104 Ca 0.21 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1ngx s VAL 104 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1ngx s VAL 104 CO 0.14 0.17 0.10 -0.70 0.00 0.00 0.00 175.10 174.81 1ngx s GLU 105 N 1.70 2.73 -0.13 2.72 2.12 0.15 -2.44 118.70 125.57 1ngx s GLU 105 Ca 0.06 -1.00 -0.18 0.00 0.36 0.00 0.00 54.97 54.21 1ngx s GLU 105 Cb -0.16 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1ngx s GLU 105 CO 0.09 0.45 0.47 0.42 -0.54 0.00 0.00 175.26 176.15 1ngx s ILE 106 N -1.86 5.19 -0.22 -3.70 -1.09 -1.26 -0.97 121.20 117.29 1ngx s ILE 106 Ca 0.30 0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 59.53 1ngx s ILE 106 Cb -0.09 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1ngx s ILE 106 CO 0.22 0.32 0.28 -0.75 -1.23 0.00 0.00 174.94 173.78 1ngx s LYS 107 N 0.70 4.12 0.37 2.79 2.20 0.71 -4.80 119.74 125.82 1ngx s LYS 107 Ca 0.25 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.88 1ngx s LYS 107 Cb -0.15 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1ngx s LYS 107 CO 0.10 -0.01 0.18 2.89 -0.36 0.00 0.00 175.35 178.15 1ngx n ARG 108 N 4.43 0.53 -1.82 4.03 1.85 -1.26 -4.10 116.66 120.32 1ngx n ARG 108 Ca -0.11 -3.24 -0.35 0.00 -1.00 0.00 0.00 57.85 53.15 1ngx n ARG 108 Cb 0.51 2.03 0.05 0.00 -1.05 0.00 0.00 32.46 34.00 1ngx n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1ngx s THR 109 N -3.09 2.79 0.41 8.89 -4.23 -1.26 -4.92 115.64 114.23 1ngx s THR 109 Ca 0.25 0.43 -0.26 0.00 -1.18 0.00 0.00 61.69 60.92 1ngx s THR 109 Cb 0.01 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.72 1ngx s THR 109 CO 0.18 -0.17 1.38 0.68 -0.54 0.00 0.00 174.62 176.15 1ngx s VAL 110 N -1.93 2.32 -0.04 2.29 -7.23 -1.26 -4.79 120.40 109.76 1ngx s VAL 110 Ca 0.73 0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 61.19 1ngx s VAL 110 Cb -0.26 -3.18 0.03 0.00 0.56 0.00 0.00 36.38 33.53 1ngx s VAL 110 CO 0.38 0.05 0.02 0.00 -0.31 0.00 0.00 175.10 175.24 1ngx s ALA 111 N -1.20 0.39 0.37 1.32 0.00 0.88 -4.91 121.76 118.61 1ngx s ALA 111 Ca 0.57 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 1ngx s ALA 111 Cb -0.42 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 1ngx s ALA 111 CO 0.55 -0.32 1.11 0.00 0.00 0.00 0.00 175.76 177.10 1ngx s ALA 112 N 1.67 3.18 0.55 0.00 0.00 -1.26 -1.11 121.76 124.79 1ngx s ALA 112 Ca -0.01 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1ngx s ALA 112 Cb -0.13 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1ngx s ALA 112 CO -0.03 -0.34 1.03 -1.25 0.00 0.00 0.00 175.76 175.18 1ngx s PRO 113 N -2.18 3.57 -0.24 0.00 0.04 -1.26 -4.60 135.00 130.33 1ngx s PRO 113 Ca 0.55 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1ngx s PRO 113 Cb -0.28 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1ngx s PRO 113 CO 0.35 -0.60 0.14 -1.12 0.04 0.00 0.00 177.00 175.81 1ngx s SER 114 N -2.73 5.92 -0.10 6.66 0.01 -0.59 -4.83 113.70 118.04 1ngx s SER 114 Ca 0.63 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.90 1ngx s SER 114 Cb -0.14 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1ngx s SER 114 CO 0.32 0.06 0.10 -0.69 0.41 0.00 0.00 173.24 173.44 1ngx s VAL 115 N 1.09 5.10 -0.00 3.43 1.01 -1.26 -0.34 120.40 129.43 1ngx s VAL 115 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ngx s VAL 115 Cb -0.14 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1ngx s VAL 115 CO 0.04 0.59 0.02 -0.36 0.00 0.00 0.00 175.10 175.40 1ngx s PHE 116 N -1.01 0.02 0.04 5.22 0.40 -0.30 -4.99 117.98 117.37 1ngx s PHE 116 Ca 0.15 -0.04 0.09 0.00 -0.60 0.00 0.00 56.93 56.54 1ngx s PHE 116 Cb -0.12 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.36 1ngx s PHE 116 CO 0.05 -0.05 -0.25 -1.50 0.70 0.00 0.00 175.22 174.16 1ngx s ILE 117 N -0.29 2.04 -0.10 0.64 2.07 -1.26 -0.14 121.20 124.16 1ngx s ILE 117 Ca -0.03 -1.35 0.01 0.00 -1.41 0.00 0.00 60.65 57.87 1ngx s ILE 117 Cb -0.02 -1.75 0.02 0.00 0.13 0.00 0.00 42.46 40.84 1ngx s ILE 117 CO -0.00 0.33 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.88 1ngx s PHE 118 N -0.80 1.73 0.74 3.50 0.08 0.81 -5.01 117.98 119.02 1ngx s PHE 118 Ca 0.11 -0.79 -0.11 0.00 0.12 0.00 0.00 56.93 56.25 1ngx s PHE 118 Cb -0.10 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1ngx s PHE 118 CO 0.02 -0.44 1.08 -2.14 -0.10 0.00 0.00 175.22 173.64 1ngx s PRO 119 N 1.10 2.60 0.58 0.24 0.02 -1.26 -2.13 135.00 136.15 1ngx s PRO 119 Ca -0.05 0.72 -0.18 0.00 0.02 0.00 0.00 61.00 61.51 1ngx s PRO 119 Cb -0.14 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1ngx s PRO 119 CO -0.02 -1.28 1.10 -1.25 -0.33 0.00 0.00 177.00 175.21 1ngx s PRO 120 N -5.15 3.26 0.54 5.54 0.04 -1.23 -4.85 135.00 133.15 1ngx s PRO 120 Ca 0.59 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 1ngx s PRO 120 Cb -0.13 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1ngx s PRO 120 CO 0.54 -0.89 1.00 -1.54 0.04 0.00 0.00 177.00 176.15 1ngx s SER 121 N -2.21 6.47 0.38 6.66 1.04 -1.26 -4.94 113.70 119.84 1ngx s SER 121 Ca 0.69 1.59 0.08 0.00 0.48 0.00 0.00 55.95 58.79 1ngx s SER 121 Cb -0.20 -2.51 0.77 0.00 0.10 0.00 0.00 66.02 64.17 1ngx s SER 121 CO 0.32 -0.70 1.92 0.44 0.98 0.00 0.00 173.24 176.20 1ngx h ASP 122 N 0.73 0.29 -0.35 7.02 3.45 -1.95 -2.01 116.42 123.60 1ngx h ASP 122 Ca -0.47 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 56.94 1ngx h ASP 122 Cb 1.19 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.87 1ngx h ASP 122 CO 0.61 0.40 0.19 -0.08 -1.57 0.00 0.00 179.24 178.79 1ngx h GLU 123 N 0.30 0.49 -0.24 3.56 4.81 -1.99 -1.76 114.58 119.75 1ngx h GLU 123 Ca 0.06 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ngx h GLU 123 Cb 0.33 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ngx h GLU 123 CO 0.02 0.41 0.01 0.37 -0.73 0.00 0.00 179.01 179.08 1ngx h GLN 124 N 0.44 0.42 -0.98 1.92 4.15 -1.78 -2.89 115.11 116.38 1ngx h GLN 124 Ca 0.12 -0.13 0.19 0.00 0.77 0.00 0.00 58.65 59.60 1ngx h GLN 124 Cb 0.06 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.62 1ngx h GLN 124 CO -0.02 0.59 0.61 -0.07 -1.93 0.00 0.00 178.83 178.01 1ngx h LEU 125 N 0.19 0.69 -2.39 -2.39 3.38 -1.17 0.58 115.31 114.20 1ngx h LEU 125 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ngx h LEU 125 Cb 0.40 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ngx h LEU 125 CO 0.01 0.26 -0.02 0.11 0.09 0.00 0.00 178.44 178.89 1ngx h LYS 126 N 0.68 0.00 -0.00 1.13 1.57 -1.11 -0.59 116.57 118.25 1ngx h LYS 126 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1ngx h LYS 126 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1ngx h LYS 126 CO -0.31 0.02 -0.26 -1.13 -0.57 0.00 0.00 179.45 177.20 1ngx n SER 127 N -3.23 0.55 0.00 0.86 3.41 0.20 -4.94 113.62 110.47 1ngx n SER 127 Ca -0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1ngx n SER 127 Cb 0.16 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ngx n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 128 N 1.40 0.79 3.14 5.00 0.00 -0.23 -5.07 105.19 110.23 1ngx n GLY 128 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ngx n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngx s THR 129 N -2.00 0.82 -0.13 2.61 2.01 -1.23 -1.44 115.64 116.28 1ngx s THR 129 Ca 0.00 -1.50 -0.01 0.00 0.31 0.00 0.00 61.69 60.50 1ngx s THR 129 Cb 0.00 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.37 1ngx s THR 129 CO 0.00 -0.52 -0.05 0.00 -0.69 0.00 0.00 174.62 173.36 1ngx s ALA 130 N -2.20 1.29 -0.20 7.40 0.00 0.31 -3.07 121.76 125.30 1ngx s ALA 130 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 1ngx s ALA 130 Cb -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1ngx s ALA 130 CO -0.00 -0.60 -0.02 -1.12 0.00 0.00 0.00 175.76 174.01 1ngx s SER 131 N 1.72 4.64 -0.15 0.00 0.01 -1.26 -1.19 113.70 117.47 1ngx s SER 131 Ca 0.03 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1ngx s SER 131 Cb -0.14 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 1ngx s SER 131 CO -0.08 0.06 -0.07 -0.69 0.41 0.00 0.00 173.24 172.87 1ngx s VAL 132 N 1.02 3.57 -0.02 3.43 1.01 0.35 -3.55 120.40 126.21 1ngx s VAL 132 Ca 0.01 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1ngx s VAL 132 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ngx s VAL 132 CO 0.01 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1ngx s VAL 133 N 0.41 2.53 -0.12 2.92 1.01 -0.91 -0.24 120.40 126.01 1ngx s VAL 133 Ca -0.06 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1ngx s VAL 133 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1ngx s VAL 133 CO 0.04 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.51 1ngx s LEU 135 N 0.93 3.29 -0.29 0.00 2.96 0.80 -0.67 118.68 125.71 1ngx s LEU 135 Ca -0.07 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1ngx s LEU 135 Cb -0.15 -1.79 0.05 0.00 0.50 0.00 0.00 46.19 44.79 1ngx s LEU 135 CO -0.01 0.18 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.41 1ngx s LEU 136 N 0.28 3.72 -0.11 -0.68 1.02 0.69 -1.15 118.68 122.44 1ngx s LEU 136 Ca -0.03 -1.22 -0.03 0.00 0.02 0.00 0.00 54.13 52.87 1ngx s LEU 136 Cb -0.14 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 1ngx s LEU 136 CO 0.03 -0.23 0.02 0.21 0.02 0.00 0.00 176.35 176.40 1ngx s ASN 137 N 1.25 5.39 -0.76 2.29 3.04 0.54 -0.27 114.94 126.42 1ngx s ASN 137 Ca -0.05 0.16 -0.06 0.00 0.04 0.00 0.00 52.86 52.95 1ngx s ASN 137 Cb -0.19 -1.63 0.01 0.00 -1.54 0.00 0.00 41.25 37.90 1ngx s ASN 137 CO -0.02 0.34 0.62 0.59 -3.04 0.00 0.00 177.10 175.59 1ngx n ASN 138 N 2.38 -5.32 -4.43 -4.21 3.02 -0.91 -1.55 115.26 104.24 1ngx n ASN 138 Ca -0.18 -0.73 -0.21 0.00 -0.03 0.00 0.00 54.58 53.43 1ngx n ASN 138 Cb 0.54 -2.14 -0.10 0.00 -0.61 0.00 0.00 39.78 37.46 1ngx n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ngx s PHE 139 N -2.78 1.93 -0.27 3.10 -0.71 0.61 -4.57 117.98 115.29 1ngx s PHE 139 Ca 0.06 -0.82 -0.23 0.00 -1.04 0.00 0.00 56.93 54.90 1ngx s PHE 139 Cb -0.01 -1.18 0.08 0.00 -1.21 0.00 0.00 43.02 40.71 1ngx s PHE 139 CO 0.88 0.15 0.76 -0.47 -1.34 0.00 0.00 175.22 175.19 1ngx s TYR 140 N -3.16 -0.80 1.11 3.49 5.04 -0.27 -0.47 117.35 122.30 1ngx s TYR 140 Ca 0.32 1.85 -0.17 0.00 -2.44 0.00 0.00 57.07 56.63 1ngx s TYR 140 Cb 0.06 0.35 0.25 0.00 0.35 0.00 0.00 41.96 42.97 1ngx s TYR 140 CO 0.13 -0.39 1.12 -1.25 -1.34 0.00 0.00 175.55 173.83 1ngx s PRO 141 N 0.63 -0.51 0.44 4.97 0.04 -1.26 -0.08 135.00 139.23 1ngx s PRO 141 Ca -0.02 0.08 0.13 0.00 0.04 0.00 0.00 61.00 61.23 1ngx s PRO 141 Cb -0.05 -1.67 0.98 0.00 0.04 0.00 0.00 34.50 33.80 1ngx s PRO 141 CO -0.04 -3.27 2.00 -0.09 0.04 0.00 0.00 177.00 175.64 1ngx h ARG 142 N -2.27 0.11 -6.47 4.56 2.43 -1.98 -3.43 114.38 107.33 1ngx h ARG 142 Ca -0.48 -0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.14 1ngx h ARG 142 Cb 1.30 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1ngx h ARG 142 CO 0.43 0.22 1.12 -1.21 -1.51 0.00 0.00 179.97 179.02 1ngx s GLU 143 N -4.81 4.15 -0.04 0.20 8.01 -1.26 -4.97 118.70 119.97 1ngx s GLU 143 Ca -0.05 2.56 -0.27 0.00 0.01 0.00 0.00 54.97 57.22 1ngx s GLU 143 Cb 0.16 -3.71 0.06 0.00 -4.31 0.00 0.00 34.13 26.33 1ngx s GLU 143 CO 0.70 -0.85 0.59 0.00 0.01 0.00 0.00 175.26 175.71 1ngx s ALA 144 N 3.07 -1.53 -0.11 5.21 0.00 -1.26 -4.65 121.76 122.49 1ngx s ALA 144 Ca 0.81 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.87 1ngx s ALA 144 Cb -0.44 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1ngx s ALA 144 CO 0.37 -0.34 -0.18 0.15 0.00 0.00 0.00 175.76 175.75 1ngx s LYS 145 N -1.23 2.55 -0.18 0.00 1.02 -0.53 -5.00 119.74 116.37 1ngx s LYS 145 Ca -0.12 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1ngx s LYS 145 Cb -0.01 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1ngx s LYS 145 CO 0.09 -0.01 -0.07 0.08 -0.92 0.00 0.00 175.35 174.52 1ngx s VAL 146 N 0.82 3.33 -0.19 3.17 1.01 -1.26 -1.01 120.40 126.27 1ngx s VAL 146 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ngx s VAL 146 Cb -0.16 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1ngx s VAL 146 CO 0.00 0.47 -0.19 -1.58 0.00 0.00 0.00 175.10 173.80 1ngx s GLN 147 N 0.97 2.87 0.09 2.72 2.00 0.21 -4.96 119.66 123.56 1ngx s GLN 147 Ca -0.01 -0.88 -0.22 0.00 -2.00 0.00 0.00 55.36 52.25 1ngx s GLN 147 Cb -0.15 -2.59 -0.07 0.00 0.80 0.00 0.00 33.01 31.01 1ngx s GLN 147 CO 0.00 -0.25 0.67 -1.58 -0.50 0.00 0.00 175.29 173.62 1ngx s TRP 148 N 1.28 3.82 -0.04 1.67 0.52 -1.26 -0.64 118.94 124.29 1ngx s TRP 148 Ca 0.03 1.41 0.02 0.00 0.02 0.00 0.00 56.10 57.59 1ngx s TRP 148 Cb -0.14 -2.64 0.01 0.00 -1.15 0.00 0.00 33.47 29.55 1ngx s TRP 148 CO -0.12 0.50 -0.09 0.15 0.02 0.00 0.00 176.95 177.41 1ngx s LYS 149 N -0.88 1.11 -0.23 4.98 1.02 -0.06 -1.15 119.74 124.53 1ngx s LYS 149 Ca 0.33 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1ngx s LYS 149 Cb -0.21 -1.01 0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1ngx s LYS 149 CO 0.22 0.06 -0.07 0.14 -0.92 0.00 0.00 175.35 174.78 1ngx s VAL 150 N 0.42 1.60 -1.45 3.17 -7.23 -0.48 -0.81 120.40 115.62 1ngx s VAL 150 Ca -0.07 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1ngx s VAL 150 Cb -0.11 -1.80 0.05 0.00 0.56 0.00 0.00 36.38 35.08 1ngx s VAL 150 CO 0.01 -0.02 0.83 0.47 -0.31 0.00 0.00 175.10 176.08 1ngx n ASP 151 N 4.66 -3.08 0.00 4.85 10.43 0.01 -0.99 116.55 132.42 1ngx n ASP 151 Ca -0.13 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.41 1ngx n ASP 151 Cb 0.45 -3.84 0.00 0.00 1.84 0.00 0.00 41.12 39.57 1ngx n ASP 151 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ngx n ASN 152 N -2.92 -1.35 -4.66 -2.24 3.02 -1.26 -4.99 115.26 100.86 1ngx n ASN 152 Ca -0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1ngx n ASN 152 Cb 0.59 -1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.42 1ngx n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngx s ALA 153 N -2.36 3.53 -0.06 5.41 0.00 -0.16 -5.02 121.76 123.10 1ngx s ALA 153 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1ngx s ALA 153 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1ngx s ALA 153 CO 0.00 -0.54 1.24 -0.51 0.00 0.00 0.00 175.76 175.95 1ngx s LEU 154 N 1.87 4.27 0.24 0.00 1.02 -1.26 -1.38 118.68 123.44 1ngx s LEU 154 Ca 0.30 1.85 -0.15 0.00 0.02 0.00 0.00 54.13 56.15 1ngx s LEU 154 Cb -0.16 -3.56 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 1ngx s LEU 154 CO 0.11 -0.62 0.65 -1.10 0.02 0.00 0.00 176.35 175.40 1ngx s GLN 155 N 2.38 4.01 -0.19 1.70 -1.52 -0.30 -5.00 119.66 120.74 1ngx s GLN 155 Ca 0.57 0.58 -0.20 0.00 -1.95 0.00 0.00 55.36 54.36 1ngx s GLN 155 Cb -0.25 -2.70 0.05 0.00 -0.22 0.00 0.00 33.01 29.89 1ngx s GLN 155 CO 0.22 0.32 0.56 -1.54 -0.25 0.00 0.00 175.29 174.61 1ngx s SER 156 N -2.02 -0.58 0.00 5.90 1.04 -1.26 -4.59 113.70 112.18 1ngx s SER 156 Ca 0.46 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1ngx s SER 156 Cb -0.13 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1ngx s SER 156 CO 0.19 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1ngx n GLY 157 N 2.58 2.22 0.71 7.32 0.00 -1.26 -4.87 105.19 111.89 1ngx n GLY 157 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1ngx n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ngx n ASN 158 N 0.00 2.67 -4.10 1.61 0.23 -1.26 -5.01 115.26 109.39 1ngx n ASN 158 Ca 0.00 -3.43 -0.11 0.00 -0.53 0.00 0.00 54.58 50.51 1ngx n ASN 158 Cb 0.00 -0.54 -0.11 0.00 -2.08 0.00 0.00 39.78 37.05 1ngx n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ngx s SER 159 N -2.60 0.90 0.02 0.53 1.04 -1.26 -1.60 113.70 110.73 1ngx s SER 159 Ca 0.40 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1ngx s SER 159 Cb 0.35 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1ngx s SER 159 CO 0.02 -0.35 -0.00 -1.10 0.98 0.00 0.00 173.24 172.78 1ngx s GLN 160 N -2.71 0.34 0.07 4.02 -0.21 -0.71 -4.97 119.66 115.49 1ngx s GLN 160 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.77 1ngx s GLN 160 Cb -0.02 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 34.08 1ngx s GLN 160 CO -0.03 -0.06 0.03 -1.83 -2.12 0.00 0.00 175.29 171.28 1ngx s GLU 161 N -1.49 0.70 0.04 2.91 -1.05 -1.26 -0.51 118.70 118.04 1ngx s GLU 161 Ca -0.15 -1.19 -0.07 0.00 -0.15 0.00 0.00 54.97 53.41 1ngx s GLU 161 Cb -0.09 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1ngx s GLU 161 CO -0.01 -0.16 0.13 -1.54 0.95 0.00 0.00 175.26 174.63 1ngx s SER 162 N -2.92 0.13 0.00 0.83 1.04 -0.81 -5.00 113.70 106.97 1ngx s SER 162 Ca 0.08 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.10 1ngx s SER 162 Cb 0.07 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1ngx s SER 162 CO -0.09 -0.53 -0.20 -0.69 0.98 0.00 0.00 173.24 172.71 1ngx s VAL 163 N -2.60 1.58 0.81 5.02 1.01 -1.26 -1.90 120.40 123.05 1ngx s VAL 163 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 1ngx s VAL 163 Cb -0.01 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 35.11 1ngx s VAL 163 CO -0.04 0.36 1.10 0.42 0.00 0.00 0.00 175.10 176.94 1ngx s THR 164 N -0.58 2.93 0.55 3.92 -4.23 -0.62 -5.00 115.64 112.61 1ngx s THR 164 Ca 0.07 0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.72 1ngx s THR 164 Cb -0.08 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 1ngx s THR 164 CO 0.00 -0.39 1.04 -1.61 -0.54 0.00 0.00 174.62 173.11 1ngx s GLU 165 N -5.18 3.57 0.23 3.99 0.41 -1.26 -4.62 118.70 115.84 1ngx s GLU 165 Ca 0.61 1.20 -0.32 0.00 -0.41 0.00 0.00 54.97 56.05 1ngx s GLU 165 Cb -0.14 -2.07 -0.13 0.00 -1.78 0.00 0.00 34.13 30.01 1ngx s GLU 165 CO 0.54 -0.60 1.49 0.94 -0.49 0.00 0.00 175.26 177.14 1ngx n GLN 166 N -1.65 2.21 -2.01 1.61 7.27 -1.26 -4.84 117.38 118.71 1ngx n GLN 166 Ca 0.08 0.79 -0.42 0.00 0.07 0.00 0.00 57.00 57.52 1ngx n GLN 166 Cb 0.53 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.65 1ngx n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ngx s ASP 167 N 0.49 6.67 0.47 1.69 -1.08 0.21 -4.90 116.67 120.22 1ngx s ASP 167 Ca 0.70 2.42 0.32 0.00 -0.52 0.00 0.00 52.55 55.47 1ngx s ASP 167 Cb -0.62 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 39.79 1ngx s ASP 167 CO 0.46 -0.82 1.96 -1.28 0.52 0.00 0.00 175.17 176.02 1ngx h SER 168 N 7.79 0.00 0.00 -0.34 0.87 -1.90 0.18 113.55 120.14 1ngx h SER 168 Ca -0.42 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 1ngx h SER 168 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1ngx h SER 168 CO 0.91 0.00 -1.00 0.29 -0.53 0.00 0.00 176.83 176.51 1ngx n LYS 169 N -2.74 0.51 -0.05 2.24 4.76 -1.26 -4.16 118.16 117.47 1ngx n LYS 169 Ca -0.00 0.31 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 1ngx n LYS 169 Cb 0.18 -1.51 0.16 0.00 -1.84 0.00 0.00 35.03 32.01 1ngx n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ngx n ASP 170 N -4.48 3.01 -2.11 4.39 5.68 -1.25 -4.98 116.55 116.81 1ngx n ASP 170 Ca -0.16 -1.97 -0.20 0.00 -0.50 0.00 0.00 54.79 51.96 1ngx n ASP 170 Cb 0.49 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 1ngx n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ngx n SER 171 N 1.30 -5.68 -4.95 -1.12 7.64 0.05 -4.98 113.62 105.89 1ngx n SER 171 Ca 0.16 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.95 1ngx n SER 171 Cb 0.58 -4.76 -0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1ngx n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ngx s THR 172 N -2.94 2.60 0.29 0.44 -4.23 -1.26 -4.66 115.64 105.88 1ngx s THR 172 Ca 0.00 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.42 1ngx s THR 172 Cb 0.00 -2.79 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 1ngx s THR 172 CO 0.00 0.00 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.63 1ngx s TYR 173 N -2.49 2.22 0.03 3.99 2.02 0.39 -0.62 117.35 122.88 1ngx s TYR 173 Ca 0.51 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1ngx s TYR 173 Cb -0.06 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1ngx s TYR 173 CO 0.31 0.58 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.69 1ngx s SER 174 N -3.51 0.57 0.01 2.29 0.01 -1.26 -0.28 113.70 111.52 1ngx s SER 174 Ca 0.30 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1ngx s SER 174 Cb -0.01 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ngx s SER 174 CO 0.14 -0.18 -0.04 -0.22 0.41 0.00 0.00 173.24 173.35 1ngx s LEU 175 N -1.21 2.10 -0.07 2.44 0.20 0.62 -1.59 118.68 121.18 1ngx s LEU 175 Ca -0.09 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.51 1ngx s LEU 175 Cb -0.08 -0.14 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 1ngx s LEU 175 CO -0.00 -0.07 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.30 1ngx s SER 176 N -0.65 2.01 -0.05 3.68 0.15 -0.80 -0.23 113.70 117.82 1ngx s SER 176 Ca -0.04 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.33 1ngx s SER 176 Cb -0.05 -0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1ngx s SER 176 CO -0.00 0.07 -0.25 -0.55 1.20 0.00 0.00 173.24 173.71 1ngx s SER 177 N 0.50 3.10 -0.13 5.45 0.15 0.16 -1.91 113.70 121.01 1ngx s SER 177 Ca -0.13 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.04 1ngx s SER 177 Cb -0.15 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1ngx s SER 177 CO 0.04 0.26 -0.19 0.42 1.20 0.00 0.00 173.24 174.98 1ngx s THR 178 N -0.27 1.80 -0.24 6.45 -4.23 0.33 -0.38 115.64 119.09 1ngx s THR 178 Ca -0.00 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 1ngx s THR 178 Cb -0.13 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 1ngx s THR 178 CO 0.03 0.50 0.16 -0.22 -0.54 0.00 0.00 174.62 174.54 1ngx s LEU 179 N 0.95 4.09 -0.15 4.79 2.96 0.67 -1.73 118.68 130.27 1ngx s LEU 179 Ca -0.05 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1ngx s LEU 179 Cb -0.15 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1ngx s LEU 179 CO -0.03 0.06 -0.14 0.42 -1.32 0.00 0.00 176.35 175.33 1ngx s THR 180 N 1.10 2.78 0.11 3.68 -4.23 -0.63 -0.50 115.64 117.95 1ngx s THR 180 Ca 0.07 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1ngx s THR 180 Cb -0.14 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1ngx s THR 180 CO 0.05 0.51 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.82 1ngx s LEU 181 N 0.71 2.48 0.68 4.79 1.43 -0.33 -4.89 118.68 123.55 1ngx s LEU 181 Ca -0.07 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1ngx s LEU 181 Cb -0.15 -0.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.97 1ngx s LEU 181 CO 0.02 -0.46 1.06 -0.94 0.23 0.00 0.00 176.35 176.25 1ngx s SER 182 N -3.07 5.58 0.25 2.29 1.04 -1.26 -0.53 113.70 118.00 1ngx s SER 182 Ca 0.13 1.46 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 1ngx s SER 182 Cb 0.05 -2.38 0.26 0.00 0.10 0.00 0.00 66.02 64.06 1ngx s SER 182 CO -0.03 -1.30 1.93 0.50 0.98 0.00 0.00 173.24 175.31 1ngx h LYS 183 N -0.62 1.30 -0.24 4.02 3.64 -1.52 -0.19 116.57 122.96 1ngx h LYS 183 Ca -0.44 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1ngx h LYS 183 Cb 1.21 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1ngx h LYS 183 CO 0.60 0.86 0.15 0.00 -2.27 0.00 0.00 179.45 178.79 1ngx h ALA 184 N 1.37 0.30 -0.63 5.00 0.00 -1.92 -1.68 119.26 121.71 1ngx h ALA 184 Ca 0.37 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1ngx h ALA 184 Cb -0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ngx h ALA 184 CO -0.08 -0.23 0.03 -0.44 0.00 0.00 0.00 179.25 178.53 1ngx h ASP 185 N 0.32 1.05 -0.83 0.00 3.45 -1.84 -2.82 116.42 115.74 1ngx h ASP 185 Ca 0.09 -0.28 0.06 0.00 0.43 0.00 0.00 57.03 57.33 1ngx h ASP 185 Cb -0.03 -0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 38.40 1ngx h ASP 185 CO -0.02 1.08 0.51 0.22 -1.57 0.00 0.00 179.24 179.45 1ngx h TYR 186 N 0.99 0.94 -0.01 4.55 5.03 -0.72 -1.80 116.97 125.94 1ngx h TYR 186 Ca 0.18 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1ngx h TYR 186 Cb 0.52 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1ngx h TYR 186 CO 0.04 0.46 0.00 0.39 -1.32 0.00 0.00 178.16 177.73 1ngx n GLU 187 N -4.65 1.06 0.00 1.82 1.02 -0.66 -3.03 120.64 116.20 1ngx n GLU 187 Ca 0.12 -0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 1ngx n GLU 187 Cb 0.18 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1ngx n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ngx n LYS 188 N -0.08 1.31 -4.23 3.49 5.02 -0.68 -5.02 118.16 117.97 1ngx n LYS 188 Ca 0.00 -1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 55.15 1ngx n LYS 188 Cb 0.22 -1.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 1ngx n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ngx s HIS 189 N -1.30 1.19 -0.10 2.13 3.76 -1.17 -5.10 115.29 114.69 1ngx s HIS 189 Ca 0.13 -1.04 -0.10 0.00 -0.15 0.00 0.00 55.06 53.90 1ngx s HIS 189 Cb 0.10 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 1ngx s HIS 189 CO 0.23 -0.24 -0.21 1.17 -0.85 0.00 0.00 174.74 174.83 1ngx n LYS 190 N -0.23 0.33 -3.20 1.40 4.81 -1.26 -4.73 118.16 115.27 1ngx n LYS 190 Ca -0.06 0.14 -0.40 0.00 -0.87 0.00 0.00 58.31 57.11 1ngx n LYS 190 Cb 0.63 -1.07 -0.07 0.00 0.02 0.00 0.00 35.03 34.54 1ngx n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ngx s VAL 191 N -2.46 5.05 -0.18 3.15 1.01 -1.26 -0.44 120.40 125.27 1ngx s VAL 191 Ca -0.19 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 1ngx s VAL 191 Cb 0.05 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ngx s VAL 191 CO 0.27 0.08 -0.08 -0.31 0.00 0.00 0.00 175.10 175.07 1ngx s TYR 192 N 2.26 2.91 0.03 5.22 1.51 -0.37 -0.81 117.35 128.10 1ngx s TYR 192 Ca 0.23 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1ngx s TYR 192 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1ngx s TYR 192 CO 0.09 -0.40 -0.06 0.00 -1.11 0.00 0.00 175.55 174.07 1ngx s ALA 193 N 0.99 0.43 -0.24 3.71 0.00 0.01 -1.36 121.76 125.30 1ngx s ALA 193 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1ngx s ALA 193 Cb -0.15 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1ngx s ALA 193 CO -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 175.76 175.60 1ngx s GLU 195 N 1.19 3.88 -0.14 0.00 2.12 0.19 -1.57 118.70 124.37 1ngx s GLU 195 Ca -0.04 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1ngx s GLU 195 Cb -0.18 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1ngx s GLU 195 CO -0.07 -0.03 -0.04 0.08 -0.54 0.00 0.00 175.26 174.66 1ngx s VAL 196 N 1.25 3.87 -0.10 3.70 1.01 0.15 -0.62 120.40 129.66 1ngx s VAL 196 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1ngx s VAL 196 Cb -0.14 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ngx s VAL 196 CO 0.05 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.55 1ngx s THR 197 N 0.08 2.18 -0.05 3.92 2.01 -0.18 -1.38 115.64 122.23 1ngx s THR 197 Ca -0.01 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1ngx s THR 197 Cb -0.14 -1.83 0.06 0.00 0.01 0.00 0.00 72.50 70.60 1ngx s THR 197 CO 0.03 0.56 0.62 -2.28 -0.69 0.00 0.00 174.62 172.86 1ngx s HIS 198 N 0.24 -0.58 0.45 4.92 2.46 -1.26 -1.45 115.29 120.07 1ngx s HIS 198 Ca -0.15 1.00 0.22 0.00 0.47 0.00 0.00 55.06 56.61 1ngx s HIS 198 Cb -0.17 0.36 1.22 0.00 -0.13 0.00 0.00 32.58 33.86 1ngx s HIS 198 CO 0.08 -0.57 1.85 1.96 -2.47 0.00 0.00 174.74 175.59 1ngx h GLN 199 N 3.18 0.26 -0.03 2.88 7.50 -1.93 0.12 115.11 127.08 1ngx h GLN 199 Ca -0.27 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1ngx h GLN 199 Cb 1.15 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1ngx h GLN 199 CO 0.39 0.17 0.00 0.41 -1.50 0.00 0.00 178.83 178.30 1ngx n GLY 200 N -1.58 -0.61 3.16 3.46 0.00 -1.26 -4.68 105.19 103.68 1ngx n GLY 200 Ca 0.20 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1ngx n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngx s LEU 201 N -1.75 3.93 0.47 0.99 1.43 0.40 -4.56 118.68 119.59 1ngx s LEU 201 Ca 0.36 -1.32 0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1ngx s LEU 201 Cb 0.17 -1.71 1.14 0.00 0.03 0.00 0.00 46.19 45.82 1ngx s LEU 201 CO 0.28 -0.27 2.03 0.77 0.23 0.00 0.00 176.35 179.39 1ngx h SER 202 N 7.98 0.23 -4.27 2.29 4.64 -1.83 -3.41 113.55 119.17 1ngx h SER 202 Ca -0.20 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.80 1ngx h SER 202 Cb 1.06 -0.05 -0.25 0.00 -0.31 0.00 0.00 62.40 62.85 1ngx h SER 202 CO 0.53 0.14 -0.75 -0.44 -0.87 0.00 0.00 176.83 175.45 1ngx s SER 203 N -6.46 0.80 0.54 4.97 0.01 -1.26 -5.13 113.70 107.17 1ngx s SER 203 Ca -0.07 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.68 1ngx s SER 203 Cb 0.19 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 1ngx s SER 203 CO 0.73 -0.04 1.24 -0.81 0.41 0.00 0.00 173.24 174.77 1ngx n PRO 204 N 2.31 1.52 -4.16 12.44 -0.04 -1.26 -4.97 135.00 140.85 1ngx n PRO 204 Ca -0.17 0.56 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 1ngx n PRO 204 Cb 0.57 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1ngx n PRO 204 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ngx s VAL 205 N -1.32 4.57 -0.08 0.52 0.11 -0.48 -4.91 120.40 118.82 1ngx s VAL 205 Ca 0.71 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1ngx s VAL 205 Cb -0.44 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1ngx s VAL 205 CO 0.50 0.51 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.69 1ngx s THR 206 N -0.05 1.80 -0.04 5.04 2.01 -1.26 0.32 115.64 123.47 1ngx s THR 206 Ca 0.05 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1ngx s THR 206 Cb -0.12 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1ngx s THR 206 CO 0.01 0.50 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.69 1ngx s LYS 207 N 0.29 2.32 0.30 4.92 3.01 -0.61 -4.96 119.74 125.02 1ngx s LYS 207 Ca -0.14 -0.84 -0.15 0.00 -1.01 0.00 0.00 55.97 53.83 1ngx s LYS 207 Cb -0.16 -2.19 0.02 0.00 -1.01 0.00 0.00 37.83 34.49 1ngx s LYS 207 CO 0.06 0.56 0.63 -1.54 0.51 0.00 0.00 175.35 175.57 1ngx s SER 208 N -0.58 -0.01 0.10 2.83 1.04 -1.26 -0.47 113.70 115.35 1ngx s SER 208 Ca 0.09 -0.94 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 1ngx s SER 208 Cb -0.11 0.70 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1ngx s SER 208 CO 0.00 -1.35 0.45 0.72 0.98 0.00 0.00 173.24 174.04 1ngx s PHE 209 N -3.49 -0.30 -0.18 5.02 -0.12 -0.47 -5.00 117.98 113.44 1ngx s PHE 209 Ca 0.18 0.11 -0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1ngx s PHE 209 Cb -0.03 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 1ngx s PHE 209 CO 0.10 -0.68 0.05 -0.80 -0.05 0.00 0.00 175.22 173.84 1ngx s ASN 210 N -2.49 5.52 0.14 1.98 0.01 -1.26 -1.23 114.94 117.61 1ngx s ASN 210 Ca -0.00 0.05 -0.34 0.00 -0.71 0.00 0.00 52.86 51.86 1ngx s ASN 210 Cb 0.01 -1.94 -0.13 0.00 0.41 0.00 0.00 41.25 39.59 1ngx s ASN 210 CO -0.08 0.16 1.62 -1.14 -1.51 0.00 0.00 177.10 176.15 1ngx n ARG 211 N 3.60 2.23 -3.08 -0.60 0.63 0.42 -4.86 116.66 115.00 1ngx n ARG 211 Ca -0.17 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1ngx n ARG 211 Cb 0.52 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.84 1ngx n ARG 211 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ngx n ASN 212 N 3.78 0.00 0.00 6.15 6.94 -1.26 -4.99 115.26 125.88 1ngx n ASN 212 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 1ngx n ASN 212 Cb 0.30 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1ngx n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61