#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngx s VAL 2 N 0.00 3.15 -0.12 5.09 1.01 -1.21 -4.89 120.40 123.44 1ngx s VAL 2 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 1ngx s VAL 2 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1ngx s VAL 2 CO 0.00 0.01 0.28 -1.10 0.00 0.00 0.00 175.10 174.29 1ngx s GLN 3 N 2.19 4.04 -0.20 2.72 -1.52 -1.26 -1.22 119.66 124.41 1ngx s GLN 3 Ca 0.70 0.10 -0.00 0.00 -1.95 0.00 0.00 55.36 54.21 1ngx s GLN 3 Cb -0.38 -3.34 0.05 0.00 -0.22 0.00 0.00 33.01 29.12 1ngx s GLN 3 CO 0.31 0.43 -0.04 -1.17 -0.25 0.00 0.00 175.29 174.57 1ngx s LEU 4 N -0.12 1.95 0.51 2.90 0.20 0.11 -4.94 118.68 119.30 1ngx s LEU 4 Ca 0.17 -0.92 -0.18 0.00 0.69 0.00 0.00 54.13 53.90 1ngx s LEU 4 Cb -0.13 -0.97 -0.08 0.00 -0.43 0.00 0.00 46.19 44.58 1ngx s LEU 4 CO 0.06 -0.23 1.00 -0.76 -0.29 0.00 0.00 176.35 176.13 1ngx s LEU 5 N 1.57 3.68 0.24 -0.68 1.43 -1.26 -1.54 118.68 122.12 1ngx s LEU 5 Ca -0.02 1.69 -0.31 0.00 -1.03 0.00 0.00 54.13 54.46 1ngx s LEU 5 Cb -0.17 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.38 1ngx s LEU 5 CO -0.07 -0.69 1.33 1.21 0.23 0.00 0.00 176.35 178.35 1ngx n GLU 6 N -1.42 1.84 -0.43 1.70 2.13 -1.12 -0.98 120.64 122.36 1ngx n GLU 6 Ca 0.07 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1ngx n GLU 6 Cb 0.54 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1ngx n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ngx n SER 7 N 1.95 0.00 -2.88 4.31 3.41 -1.25 -4.97 113.62 114.19 1ngx n SER 7 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1ngx n SER 7 Cb 0.31 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 1ngx n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 8 N -2.00 -1.01 3.22 5.00 0.00 -0.16 -4.78 105.19 105.45 1ngx n GLY 8 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1ngx n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx s ALA 9 N -3.84 -1.00 0.01 4.61 0.00 -1.26 -1.37 121.76 118.92 1ngx s ALA 9 Ca 0.33 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1ngx s ALA 9 Cb -0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1ngx s ALA 9 CO 0.23 -0.56 -0.05 -1.21 0.00 0.00 0.00 175.76 174.17 1ngx s GLU 10 N 2.14 0.37 -0.11 0.00 0.41 -0.36 -4.95 118.70 116.19 1ngx s GLU 10 Ca -0.04 -0.40 -0.18 0.00 -0.41 0.00 0.00 54.97 53.94 1ngx s GLU 10 Cb -0.11 -0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 31.98 1ngx s GLU 10 CO -0.12 0.05 0.49 -1.17 -0.49 0.00 0.00 175.26 174.02 1ngx s LEU 11 N -0.76 4.28 0.02 1.80 2.96 -1.26 -1.27 118.68 124.44 1ngx s LEU 11 Ca -0.05 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 1ngx s LEU 11 Cb -0.05 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1ngx s LEU 11 CO -0.00 -0.00 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 1ngx s VAL 12 N 0.63 0.92 0.40 1.68 1.01 0.17 -4.94 120.40 120.27 1ngx s VAL 12 Ca 0.27 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1ngx s VAL 12 Cb -0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1ngx s VAL 12 CO 0.11 0.08 1.04 -0.54 0.00 0.00 0.00 175.10 175.79 1ngx s LYS 13 N -0.74 4.17 0.48 2.72 3.01 -1.25 -1.00 119.74 127.12 1ngx s LYS 13 Ca 0.02 1.49 -0.24 0.00 -1.01 0.00 0.00 55.97 56.22 1ngx s LYS 13 Cb -0.06 -2.52 -0.07 0.00 -1.01 0.00 0.00 37.83 34.16 1ngx s LYS 13 CO 0.00 -0.13 1.39 -2.14 0.51 0.00 0.00 175.35 174.98 1ngx s PRO 14 N -2.53 3.55 0.00 -1.68 0.02 -1.26 -1.98 135.00 131.12 1ngx s PRO 14 Ca 0.58 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1ngx s PRO 14 Cb -0.21 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1ngx s PRO 14 CO 0.27 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1ngx n GLY 15 N 0.63 2.99 0.00 0.52 0.00 0.57 -4.90 105.19 105.00 1ngx n GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ngx n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx n ALA 16 N -0.85 0.00 -2.22 4.61 0.00 -0.84 -4.29 120.51 116.92 1ngx n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ngx n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ngx n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ngx s SER 17 N -1.00 0.98 0.00 0.00 1.04 -1.26 -1.56 113.70 111.89 1ngx s SER 17 Ca 0.00 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 1ngx s SER 17 Cb 0.00 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ngx s SER 17 CO 0.00 -0.62 0.09 0.54 0.98 0.00 0.00 173.24 174.24 1ngx s VAL 18 N -3.76 0.08 -0.16 5.02 0.11 -0.67 -2.99 120.40 118.02 1ngx s VAL 18 Ca 0.24 -0.67 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1ngx s VAL 18 Cb 0.07 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1ngx s VAL 18 CO 0.04 -0.37 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.62 1ngx s LYS 19 N -1.24 1.59 0.15 1.54 2.20 -0.35 -0.64 119.74 122.99 1ngx s LYS 19 Ca -0.13 -0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 54.88 1ngx s LYS 19 Cb -0.07 -2.00 -0.06 0.00 -1.51 0.00 0.00 37.83 34.18 1ngx s LYS 19 CO 0.01 -0.39 0.42 -0.51 -0.36 0.00 0.00 175.35 174.52 1ngx s LEU 20 N 1.60 4.25 0.16 5.43 1.02 0.03 -0.71 118.68 130.47 1ngx s LEU 20 Ca 0.01 0.70 0.09 0.00 0.02 0.00 0.00 54.13 54.96 1ngx s LEU 20 Cb -0.15 -3.35 -0.04 0.00 0.02 0.00 0.00 46.19 42.67 1ngx s LEU 20 CO -0.08 0.04 -0.20 -0.94 0.02 0.00 0.00 176.35 175.19 1ngx s SER 21 N -2.31 2.75 -0.24 2.29 1.04 -0.59 -1.14 113.70 115.51 1ngx s SER 21 Ca 0.41 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1ngx s SER 21 Cb -0.12 -0.17 0.12 0.00 0.10 0.00 0.00 66.02 65.96 1ngx s SER 21 CO 0.23 0.01 0.45 0.00 0.98 0.00 0.00 173.24 174.90 1ngx s LYS 23 N 2.65 4.81 0.68 0.00 2.20 -1.26 -0.63 119.74 128.18 1ngx s LYS 23 Ca 0.07 1.49 -0.12 0.00 -0.36 0.00 0.00 55.97 57.05 1ngx s LYS 23 Cb -0.14 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1ngx s LYS 23 CO -0.16 0.42 1.06 0.00 -0.36 0.00 0.00 175.35 176.32 1ngx s ALA 24 N -0.84 2.66 0.42 3.13 0.00 -0.61 -4.94 121.76 121.57 1ngx s ALA 24 Ca 0.43 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.64 1ngx s ALA 24 Cb -0.25 -3.20 0.88 0.00 0.00 0.00 0.00 23.12 20.55 1ngx s ALA 24 CO 0.32 -1.18 2.03 0.66 0.00 0.00 0.00 175.76 177.58 1ngx h SER 25 N -0.51 0.35 0.00 0.00 4.64 -1.96 -3.46 113.55 112.60 1ngx h SER 25 Ca -0.44 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngx h SER 25 Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ngx h SER 25 CO 0.56 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1ngx n GLY 26 N -1.30 0.29 3.78 -0.77 0.00 -1.26 -5.07 105.19 100.85 1ngx n GLY 26 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ngx n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ngx s TYR 27 N -2.00 3.03 -0.14 1.61 1.51 -1.26 -4.99 117.35 115.11 1ngx s TYR 27 Ca 0.00 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.35 1ngx s TYR 27 Cb 0.00 -3.27 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 1ngx s TYR 27 CO 0.00 -1.14 0.99 0.99 -1.11 0.00 0.00 175.55 175.28 1ngx s THR 28 N -1.60 4.77 0.05 -0.71 2.01 -1.26 -5.03 115.64 113.88 1ngx s THR 28 Ca 0.61 1.98 -0.10 0.00 0.31 0.00 0.00 61.69 64.49 1ngx s THR 28 Cb -0.26 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 67.97 1ngx s THR 28 CO 0.32 -0.03 0.22 -0.36 -0.69 0.00 0.00 174.62 174.07 1ngx s PHE 29 N 2.30 0.04 0.04 4.92 0.08 -1.26 -5.06 117.98 119.04 1ngx s PHE 29 Ca 0.46 -0.28 -0.26 0.00 0.12 0.00 0.00 56.93 56.97 1ngx s PHE 29 Cb -0.17 -0.01 -0.17 0.00 -0.57 0.00 0.00 43.02 42.10 1ngx s PHE 29 CO 0.14 -0.47 1.46 1.15 -0.10 0.00 0.00 175.22 177.41 1ngx h THR 30 N 3.28 0.83 -3.19 0.64 2.02 -2.05 -3.44 112.91 111.00 1ngx h THR 30 Ca -0.32 -0.40 -0.60 0.00 0.77 0.00 0.00 66.41 65.85 1ngx h THR 30 Cb 1.19 1.06 -0.18 0.00 -1.74 0.00 0.00 68.15 68.48 1ngx h THR 30 CO 0.49 0.09 -0.80 -0.44 0.37 0.00 0.00 175.52 175.23 1ngx s SER 31 N -5.09 3.15 -0.39 4.18 0.01 -1.26 -4.86 113.70 109.45 1ngx s SER 31 Ca -0.15 -0.87 0.11 0.00 1.31 0.00 0.00 55.95 56.35 1ngx s SER 31 Cb 0.03 -0.22 0.36 0.00 0.21 0.00 0.00 66.02 66.40 1ngx s SER 31 CO 0.61 0.06 0.86 0.00 0.41 0.00 0.00 173.24 175.18 1ngx n TYR 32 N 0.24 -0.48 -1.66 2.43 9.36 -1.26 -5.05 117.16 120.74 1ngx n TYR 32 Ca -0.12 -3.29 -0.45 0.00 3.32 0.00 0.00 57.90 57.35 1ngx n TYR 32 Cb 0.57 0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 39.33 1ngx n TYR 32 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ngx n TRP 33 N 0.24 2.37 -4.27 2.98 7.02 -1.26 -4.05 117.44 120.47 1ngx n TRP 33 Ca 0.18 -0.18 -0.34 0.00 -1.02 0.00 0.00 57.50 56.15 1ngx n TRP 33 Cb 0.69 -2.73 -0.13 0.00 -2.42 0.00 0.00 31.31 26.72 1ngx n TRP 33 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ngx s MET 34 N 4.46 3.55 0.09 -0.99 -1.94 0.17 -4.38 119.30 120.26 1ngx s MET 34 Ca 0.92 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 54.35 1ngx s MET 34 Cb -0.56 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 1ngx s MET 34 CO 0.46 0.08 0.18 -1.01 -0.01 0.00 0.00 175.02 174.73 1ngx s HIS 35 N 0.78 3.38 -0.12 -0.03 3.76 -1.24 -0.86 115.29 120.96 1ngx s HIS 35 Ca -0.02 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1ngx s HIS 35 Cb -0.15 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 1ngx s HIS 35 CO 0.02 0.55 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.68 1ngx s TRP 36 N -1.55 2.66 0.02 1.40 0.52 -0.16 -0.44 118.94 121.40 1ngx s TRP 36 Ca 0.33 -1.00 0.06 0.00 0.02 0.00 0.00 56.10 55.51 1ngx s TRP 36 Cb -0.12 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 1ngx s TRP 36 CO 0.26 -0.41 -0.19 0.08 0.02 0.00 0.00 176.95 176.71 1ngx s VAL 37 N 0.48 1.53 -0.09 4.03 1.01 0.11 -1.01 120.40 126.47 1ngx s VAL 37 Ca -0.14 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1ngx s VAL 37 Cb -0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1ngx s VAL 37 CO 0.05 0.27 -0.06 -0.75 0.00 0.00 0.00 175.10 174.62 1ngx s LYS 38 N -0.87 2.95 -0.08 2.72 2.20 0.36 -0.86 119.74 126.17 1ngx s LYS 38 Ca 0.07 -0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1ngx s LYS 38 Cb -0.08 -2.66 0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1ngx s LYS 38 CO 0.01 0.58 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.40 1ngx s GLN 39 N -0.57 0.95 0.09 4.03 0.74 0.31 -1.08 119.66 124.14 1ngx s GLN 39 Ca 0.09 -0.05 0.08 0.00 0.05 0.00 0.00 55.36 55.52 1ngx s GLN 39 Cb -0.12 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.83 1ngx s GLN 39 CO 0.02 -0.23 -0.18 1.03 -0.55 0.00 0.00 175.29 175.38 1ngx s ARG 40 N 1.63 1.89 0.00 1.67 0.52 -1.26 -1.26 118.95 122.14 1ngx s ARG 40 Ca 0.01 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1ngx s ARG 40 Cb -0.13 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1ngx s ARG 40 CO -0.05 0.50 0.28 -2.30 0.02 0.00 0.00 175.30 173.75 1ngx n PRO 41 N 1.02 0.00 -1.22 3.54 -0.02 -1.26 -1.75 135.00 135.30 1ngx n PRO 41 Ca -0.16 0.28 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 1ngx n PRO 41 Cb 0.52 -0.50 0.18 0.00 -0.02 0.00 0.00 33.50 33.68 1ngx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngx n GLY 42 N -0.79 4.56 3.37 -1.23 0.00 -1.26 -4.95 105.19 104.89 1ngx n GLY 42 Ca 0.00 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 1ngx n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ngx s ARG 43 N -3.32 1.40 0.64 1.61 1.81 -0.72 -5.14 118.95 115.24 1ngx s ARG 43 Ca 0.57 -1.57 -0.11 0.00 -1.72 0.00 0.00 55.73 52.90 1ngx s ARG 43 Cb 0.48 -1.37 -0.03 0.00 -0.45 0.00 0.00 34.95 33.58 1ngx s ARG 43 CO 0.10 0.26 1.04 0.20 -0.68 0.00 0.00 175.30 176.22 1ngx s GLY 44 N -3.12 1.67 0.54 -3.53 0.00 -1.26 -4.37 107.32 97.25 1ngx s GLY 44 Ca 0.22 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.69 1ngx s GLY 44 CO 0.09 0.25 1.34 1.08 0.00 0.00 0.00 173.10 175.86 1ngx s LEU 45 N -5.26 3.85 -0.05 0.66 1.43 -1.26 -4.65 118.68 113.39 1ngx s LEU 45 Ca 0.56 2.73 0.03 0.00 -1.03 0.00 0.00 54.13 56.41 1ngx s LEU 45 Cb -0.12 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.82 1ngx s LEU 45 CO 0.54 -1.54 -0.13 -1.61 0.23 0.00 0.00 176.35 173.83 1ngx s GLU 46 N -2.91 1.62 -0.12 1.70 2.02 -0.24 -4.98 118.70 115.79 1ngx s GLU 46 Ca 0.71 -0.44 -0.24 0.00 0.02 0.00 0.00 54.97 55.02 1ngx s GLU 46 Cb -0.39 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 1ngx s GLU 46 CO 0.46 0.09 0.75 -0.46 0.02 0.00 0.00 175.26 176.12 1ngx s TRP 47 N 0.45 3.49 -0.21 1.61 -0.00 -1.26 -0.48 118.94 122.54 1ngx s TRP 47 Ca -0.11 1.22 -0.21 0.00 -0.00 0.00 0.00 56.10 57.01 1ngx s TRP 47 Cb -0.14 -2.89 -0.18 0.00 -0.00 0.00 0.00 33.47 30.26 1ngx s TRP 47 CO 0.03 -0.07 0.16 -0.89 -0.00 0.00 0.00 176.95 176.18 1ngx n ILE 48 N 4.27 1.53 -1.54 5.86 5.41 -0.18 -4.65 119.36 130.06 1ngx n ILE 48 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1ngx n ILE 48 Cb 0.50 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 1ngx n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ngx n GLY 49 N 1.43 -1.71 3.10 7.39 0.00 -1.22 -0.79 105.19 113.38 1ngx n GLY 49 Ca -0.32 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1ngx n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ngx s ARG 50 N -1.56 0.63 -0.06 1.61 1.70 0.09 -0.99 118.95 120.37 1ngx s ARG 50 Ca 0.00 -1.09 -0.06 0.00 -0.47 0.00 0.00 55.73 54.11 1ngx s ARG 50 Cb 0.00 -0.03 0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1ngx s ARG 50 CO 0.00 -0.04 0.17 -1.50 -1.08 0.00 0.00 175.30 172.84 1ngx s ILE 51 N -3.04 0.00 -0.45 4.99 2.07 -0.04 -1.78 121.20 122.96 1ngx s ILE 51 Ca 0.02 -0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.10 1ngx s ILE 51 Cb 0.01 -0.25 0.07 0.00 0.13 0.00 0.00 42.46 42.43 1ngx s ILE 51 CO -0.05 -0.01 0.35 -0.62 -1.91 0.00 0.00 174.94 172.69 1ngx s ASP 52 N 0.03 5.99 0.55 4.50 -1.08 -0.18 -0.66 116.67 125.82 1ngx s ASP 52 Ca -0.01 -1.34 0.25 0.00 -0.52 0.00 0.00 52.55 50.94 1ngx s ASP 52 Cb -0.01 -2.12 1.44 0.00 -1.46 0.00 0.00 42.92 40.76 1ngx s ASP 52 CO 0.00 -0.60 2.02 -0.65 0.52 0.00 0.00 175.17 176.47 1ngx h PRO 53 N 8.64 0.00 0.06 4.34 0.11 -1.88 1.05 132.00 144.32 1ngx h PRO 53 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ngx h PRO 53 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ngx h PRO 53 CO 0.83 0.00 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.68 1ngx h ASN 54 N 0.00 -0.07 0.15 -2.05 2.35 -1.90 -3.38 115.58 110.68 1ngx h ASN 54 Ca 0.19 -0.44 -0.35 0.00 -0.55 0.00 0.00 56.30 55.15 1ngx h ASN 54 Cb 0.82 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.16 1ngx h ASN 54 CO -0.00 0.42 -2.16 -1.54 -1.65 0.00 0.00 177.43 172.50 1ngx n SER 55 N -4.89 1.18 0.00 5.81 3.41 -1.05 -4.99 113.62 113.09 1ngx n SER 55 Ca -0.08 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ngx n SER 55 Cb 0.26 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1ngx n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 56 N 1.89 0.41 3.74 5.00 0.00 0.36 -5.05 105.19 111.54 1ngx n GLY 56 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1ngx n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ngx s GLY 57 N -1.23 2.85 0.12 -0.02 0.00 -1.24 -4.70 107.32 103.11 1ngx s GLY 57 Ca 0.00 1.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 1ngx s GLY 57 CO 0.00 1.66 0.02 -0.51 0.00 0.00 0.00 173.10 174.27 1ngx s THR 58 N -1.40 0.29 -0.20 0.90 -4.23 -1.26 -1.01 115.64 108.73 1ngx s THR 58 Ca 0.79 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.30 1ngx s THR 58 Cb -0.37 -1.92 0.08 0.00 1.34 0.00 0.00 72.50 71.63 1ngx s THR 58 CO 0.41 -0.62 0.47 -0.75 -0.54 0.00 0.00 174.62 173.59 1ngx s LYS 59 N -3.98 0.42 0.21 3.99 2.36 -0.73 -4.99 119.74 117.01 1ngx s LYS 59 Ca 0.19 1.00 0.09 0.00 -2.55 0.00 0.00 55.97 54.70 1ngx s LYS 59 Cb 0.07 0.22 -0.04 0.00 -1.05 0.00 0.00 37.83 37.02 1ngx s LYS 59 CO -0.01 -0.20 -0.08 0.71 1.55 0.00 0.00 175.35 177.33 1ngx s TYR 60 N 2.05 2.63 -0.06 4.03 1.51 -1.26 -0.73 117.35 125.52 1ngx s TYR 60 Ca -0.06 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1ngx s TYR 60 Cb -0.10 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1ngx s TYR 60 CO -0.14 0.55 1.05 1.21 -1.11 0.00 0.00 175.55 177.11 1ngx s ASN 61 N -3.08 7.23 0.36 2.29 3.04 0.03 -4.91 114.94 119.91 1ngx s ASN 61 Ca 0.27 1.65 0.16 0.00 0.04 0.00 0.00 52.86 54.98 1ngx s ASN 61 Cb -0.08 -2.56 1.07 0.00 -1.54 0.00 0.00 41.25 38.14 1ngx s ASN 61 CO 0.16 -0.43 1.71 -0.08 -3.04 0.00 0.00 177.10 175.43 1ngx h GLU 62 N 7.07 0.39 -0.02 0.43 4.57 -1.94 0.51 114.58 125.58 1ngx h GLU 62 Ca -0.35 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1ngx h GLU 62 Cb 1.17 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1ngx h GLU 62 CO 0.83 0.26 0.02 -0.22 -1.18 0.00 0.00 179.01 178.71 1ngx h LYS 63 N 0.40 0.00 -0.35 1.92 3.64 -1.94 -2.67 116.57 117.57 1ngx h LYS 63 Ca 0.67 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 1ngx h LYS 63 Cb 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1ngx h LYS 63 CO -0.44 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.93 1ngx n PHE 64 N -4.52 0.45 -0.35 1.91 3.01 0.15 -4.63 117.46 113.49 1ngx n PHE 64 Ca -0.02 -0.30 0.09 0.00 1.01 0.00 0.00 57.45 58.22 1ngx n PHE 64 Cb 0.11 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 39.83 1ngx n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1ngx h LYS 65 N 3.44 0.86 0.00 -1.08 3.64 -1.24 0.73 116.57 122.92 1ngx h LYS 65 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1ngx h LYS 65 Cb 0.83 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ngx h LYS 65 CO 0.00 0.57 -0.40 0.66 -2.27 0.00 0.00 179.45 178.01 1ngx h SER 66 N 0.89 0.00 0.00 4.20 4.64 -1.82 -3.38 113.55 118.08 1ngx h SER 66 Ca 0.51 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.73 1ngx h SER 66 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1ngx h SER 66 CO -0.31 0.03 -1.78 2.29 -0.87 0.00 0.00 176.83 176.19 1ngx n LYS 67 N -2.95 0.98 -4.58 4.77 2.85 -0.92 -4.86 118.16 113.45 1ngx n LYS 67 Ca 0.02 -0.08 -0.34 0.00 -1.05 0.00 0.00 58.31 56.86 1ngx n LYS 67 Cb 0.55 -1.35 -0.11 0.00 -0.65 0.00 0.00 35.03 33.47 1ngx n LYS 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ngx s ALA 68 N -2.75 3.03 -0.11 0.58 0.00 0.20 -0.99 121.76 121.72 1ngx s ALA 68 Ca -0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ngx s ALA 68 Cb 0.07 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.94 1ngx s ALA 68 CO 0.59 0.56 -0.03 0.99 0.00 0.00 0.00 175.76 177.87 1ngx s THR 69 N -0.77 0.76 -0.20 0.00 2.01 -0.10 -4.73 115.64 112.61 1ngx s THR 69 Ca 0.12 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 1ngx s THR 69 Cb -0.11 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1ngx s THR 69 CO 0.02 0.24 0.12 -0.76 -0.69 0.00 0.00 174.62 173.55 1ngx s LEU 70 N 1.81 4.11 0.25 4.42 1.43 -1.26 -0.67 118.68 128.77 1ngx s LEU 70 Ca 0.04 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1ngx s LEU 70 Cb -0.13 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1ngx s LEU 70 CO -0.07 0.17 0.15 0.42 0.23 0.00 0.00 176.35 177.24 1ngx s THR 71 N 0.43 0.19 -0.10 5.49 -4.23 -0.39 -4.99 115.64 112.05 1ngx s THR 71 Ca 0.07 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1ngx s THR 71 Cb -0.12 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1ngx s THR 71 CO -0.01 0.00 0.25 0.54 -0.54 0.00 0.00 174.62 174.86 1ngx s VAL 72 N -3.88 -0.00 -0.77 2.29 0.11 -1.26 -0.28 120.40 116.61 1ngx s VAL 72 Ca 0.38 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 1ngx s VAL 72 Cb 0.06 -0.36 0.20 0.00 -1.53 0.00 0.00 36.38 34.75 1ngx s VAL 72 CO 0.15 0.00 0.68 -0.62 -3.33 0.00 0.00 175.10 171.99 1ngx s ASP 73 N 0.18 6.43 0.30 3.54 2.15 0.20 -4.94 116.67 124.54 1ngx s ASP 73 Ca -0.00 -2.65 0.05 0.00 0.43 0.00 0.00 52.55 50.37 1ngx s ASP 73 Cb -0.02 -2.14 0.72 0.00 -0.30 0.00 0.00 42.92 41.18 1ngx s ASP 73 CO -0.00 -0.56 1.75 0.11 -0.17 0.00 0.00 175.17 176.30 1ngx h LYS 74 N 7.72 0.61 -0.83 4.34 1.57 -1.85 0.22 116.57 128.36 1ngx h LYS 74 Ca 0.05 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1ngx h LYS 74 Cb 1.03 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 1ngx h LYS 74 CO 0.77 0.40 0.50 -1.35 -0.57 0.00 0.00 179.45 179.20 1ngx h PRO 75 N 0.63 0.87 -0.53 3.15 0.11 -1.97 -2.40 132.00 131.86 1ngx h PRO 75 Ca 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1ngx h PRO 75 Cb 0.94 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1ngx h PRO 75 CO -0.42 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 1ngx n SER 76 N -4.67 3.60 -3.91 -2.05 3.41 -0.81 -4.98 113.62 104.23 1ngx n SER 76 Ca 0.12 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.45 1ngx n SER 76 Cb 0.20 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ngx n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ngx n SER 77 N 1.46 -2.11 -4.12 4.04 7.64 0.00 -4.85 113.62 115.69 1ngx n SER 77 Ca 0.21 -1.06 -0.27 0.00 1.01 0.00 0.00 58.87 58.75 1ngx n SER 77 Cb 0.59 -2.90 -0.16 0.00 -1.01 0.00 0.00 64.21 60.73 1ngx n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ngx s THR 78 N -3.80 1.52 -0.03 0.44 2.01 -1.04 -1.58 115.64 113.15 1ngx s THR 78 Ca 0.19 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1ngx s THR 78 Cb -0.08 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1ngx s THR 78 CO 0.90 0.44 0.19 0.00 -0.69 0.00 0.00 174.62 175.46 1ngx s ALA 79 N 0.31 3.92 0.05 7.40 0.00 0.20 -0.63 121.76 133.01 1ngx s ALA 79 Ca -0.11 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1ngx s ALA 79 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1ngx s ALA 79 CO 0.04 0.70 -0.14 0.71 0.00 0.00 0.00 175.76 177.07 1ngx s TYR 80 N -1.25 1.22 -0.15 0.00 2.02 0.61 -0.76 117.35 119.04 1ngx s TYR 80 Ca 0.24 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1ngx s TYR 80 Cb -0.13 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1ngx s TYR 80 CO 0.15 0.04 -0.03 1.41 -1.57 0.00 0.00 175.55 175.55 1ngx s MET 81 N -1.35 1.21 -0.18 -0.62 -2.45 -0.29 -1.26 119.30 114.37 1ngx s MET 81 Ca 0.00 -0.38 -0.09 0.00 -1.25 0.00 0.00 55.69 53.98 1ngx s MET 81 Cb -0.09 -1.82 -0.05 0.00 1.25 0.00 0.00 34.83 34.13 1ngx s MET 81 CO 0.02 -0.42 0.11 -1.14 1.05 0.00 0.00 175.02 174.63 1ngx s GLN 82 N 1.72 3.98 -0.19 4.11 0.74 0.16 -0.79 119.66 129.39 1ngx s GLN 82 Ca 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1ngx s GLN 82 Cb -0.15 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.64 1ngx s GLN 82 CO -0.07 0.38 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.45 1ngx s LEU 83 N 0.10 2.72 0.41 3.68 1.43 0.19 -0.92 118.68 126.28 1ngx s LEU 83 Ca 0.08 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1ngx s LEU 83 Cb -0.11 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1ngx s LEU 83 CO -0.00 0.02 0.43 -0.44 0.23 0.00 0.00 176.35 176.59 1ngx s SER 84 N 1.20 5.28 -1.17 2.29 0.01 -0.16 -1.68 113.70 119.47 1ngx s SER 84 Ca 0.02 -0.61 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 1ngx s SER 84 Cb -0.14 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.46 1ngx s SER 84 CO -0.03 -0.65 0.44 -1.20 0.41 0.00 0.00 173.24 172.21 1ngx n SER 85 N -1.63 -2.41 -4.68 2.44 7.64 -1.08 -4.79 113.62 109.11 1ngx n SER 85 Ca 0.04 -1.17 -0.41 0.00 1.01 0.00 0.00 58.87 58.34 1ngx n SER 85 Cb 0.61 -1.41 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 1ngx n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngx n LEU 86 N -4.54 3.65 -4.26 -3.43 4.77 -0.60 -4.58 117.00 108.00 1ngx n LEU 86 Ca -0.15 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.80 1ngx n LEU 86 Cb 0.53 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.05 1ngx n LEU 86 CO 0.69 -0.77 -0.29 -0.89 -1.33 0.00 0.00 177.39 174.80 1ngx s THR 87 N -1.19 0.51 0.62 -5.08 2.01 -1.26 -0.32 115.64 110.93 1ngx s THR 87 Ca 0.60 -1.98 0.31 0.00 0.31 0.00 0.00 61.69 60.93 1ngx s THR 87 Cb -0.53 -2.37 0.36 0.00 0.01 0.00 0.00 72.50 69.97 1ngx s THR 87 CO 0.59 -0.22 2.09 0.28 -0.69 0.00 0.00 174.62 176.66 1ngx h SER 88 N 2.57 0.00 0.81 3.53 0.02 -1.96 0.15 113.55 118.67 1ngx h SER 88 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ngx h SER 88 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ngx h SER 88 CO 0.61 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.97 1ngx h GLU 89 N 0.00 0.00 -0.00 3.45 4.39 -1.95 -2.45 114.58 118.02 1ngx h GLU 89 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ngx h GLU 89 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ngx h GLU 89 CO -0.00 0.00 -0.25 -0.25 -1.16 0.00 0.00 179.01 177.35 1ngx n ASP 90 N -3.01 0.33 -4.67 1.42 8.00 0.54 -4.82 116.55 114.34 1ngx n ASP 90 Ca 0.00 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 1ngx n ASP 90 Cb 0.25 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1ngx n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ngx s SER 91 N -2.90 6.71 0.00 -2.24 0.01 -0.92 -4.80 113.70 109.56 1ngx s SER 91 Ca 0.15 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.64 1ngx s SER 91 Cb 0.19 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1ngx s SER 91 CO 0.60 -0.86 0.00 0.00 0.41 0.00 0.00 173.24 173.39 1ngx n ALA 92 N 6.40 0.00 -2.81 1.44 0.00 -0.79 -4.87 120.51 119.87 1ngx n ALA 92 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1ngx n ALA 92 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 1ngx n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngx s VAL 93 N -2.00 4.86 -0.00 0.00 1.01 -0.39 -1.46 120.40 122.42 1ngx s VAL 93 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1ngx s VAL 93 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1ngx s VAL 93 CO 0.00 0.46 -0.14 -0.31 0.00 0.00 0.00 175.10 175.11 1ngx s TYR 94 N 0.36 2.70 0.03 5.22 1.51 0.95 -0.53 117.35 127.60 1ngx s TYR 94 Ca 0.04 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 1ngx s TYR 94 Cb -0.12 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1ngx s TYR 94 CO -0.00 0.26 -0.17 0.71 -1.11 0.00 0.00 175.55 175.24 1ngx s TYR 95 N -0.87 1.48 0.04 2.71 2.02 -0.04 -1.16 117.35 121.53 1ngx s TYR 95 Ca 0.14 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1ngx s TYR 95 Cb -0.11 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1ngx s TYR 95 CO 0.04 0.04 -0.12 0.00 -1.57 0.00 0.00 175.55 173.94 1ngx s THR 97 N -1.01 3.59 -0.01 0.00 -4.23 0.42 -0.34 115.64 114.06 1ngx s THR 97 Ca 0.17 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1ngx s THR 97 Cb -0.11 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 1ngx s THR 97 CO 0.08 -0.20 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.75 1ngx s ARG 98 N -3.17 0.72 0.53 3.99 0.52 -1.26 -3.66 118.95 116.62 1ngx s ARG 98 Ca 0.28 -0.27 0.29 0.00 -0.52 0.00 0.00 55.73 55.51 1ngx s ARG 98 Cb -0.08 -0.70 1.47 0.00 0.52 0.00 0.00 34.95 36.16 1ngx s ARG 98 CO 0.19 0.14 2.07 0.07 0.02 0.00 0.00 175.30 177.78 1ngx h ARG 99 N 6.15 0.00 -1.09 3.54 0.11 -1.91 -3.13 114.38 118.05 1ngx h ARG 99 Ca -0.31 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.11 1ngx h ARG 99 Cb 1.18 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.93 1ngx h ARG 99 CO 0.49 0.11 0.45 -0.40 0.10 0.00 0.00 179.97 180.73 1ngx n ASP 100 N -3.55 6.95 -3.64 0.08 3.85 -1.26 -4.88 116.55 114.09 1ngx n ASP 100 Ca -0.02 -3.78 -0.05 0.00 -0.71 0.00 0.00 54.79 50.23 1ngx n ASP 100 Cb 0.24 -0.83 -0.06 0.00 -1.35 0.00 0.00 41.12 39.13 1ngx n ASP 100 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1ngx s SER 101 N -2.21 -1.00 0.08 -1.12 0.15 -1.18 -5.04 113.70 103.38 1ngx s SER 101 Ca 0.60 1.52 0.24 0.00 0.70 0.00 0.00 55.95 59.01 1ngx s SER 101 Cb 0.47 1.66 0.96 0.00 -1.71 0.00 0.00 66.02 67.40 1ngx s SER 101 CO -0.06 -0.23 1.75 -0.90 1.20 0.00 0.00 173.24 175.00 1ngx n ASP 102 N 4.67 0.26 -4.72 5.45 5.75 -1.26 -4.68 116.55 122.02 1ngx n ASP 102 Ca -0.18 0.54 -0.34 0.00 -0.01 0.00 0.00 54.79 54.80 1ngx n ASP 102 Cb 0.56 -0.60 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 1ngx n ASP 102 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ngx s TYR 103 N -3.06 3.20 0.86 2.11 2.02 -1.26 -5.10 117.35 116.11 1ngx s TYR 103 Ca 0.10 0.20 -0.12 0.00 -0.37 0.00 0.00 57.07 56.88 1ngx s TYR 103 Cb 0.14 -1.76 0.11 0.00 -0.40 0.00 0.00 41.96 40.04 1ngx s TYR 103 CO 0.46 0.51 1.10 -1.58 -1.57 0.00 0.00 175.55 174.46 1ngx s TRP 104 N -1.00 2.57 1.04 2.71 0.51 -1.26 -4.72 118.94 118.78 1ngx s TRP 104 Ca 0.17 1.13 -0.12 0.00 -2.12 0.00 0.00 56.10 55.16 1ngx s TRP 104 Cb -0.12 -3.18 0.20 0.00 -0.81 0.00 0.00 33.47 29.56 1ngx s TRP 104 CO 0.07 -2.14 1.03 0.41 -0.51 0.00 0.00 176.95 175.80 1ngx n GLY 105 N -1.73 -1.20 0.00 0.98 0.00 0.53 -4.95 105.19 98.82 1ngx n GLY 105 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ngx n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx n ALA 106 N -4.55 0.00 -3.33 4.61 0.00 -1.26 -4.65 120.51 111.32 1ngx n ALA 106 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1ngx n ALA 106 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1ngx n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ngx s GLY 107 N 0.00 -0.05 -0.19 0.00 0.00 -1.26 -4.92 107.32 100.90 1ngx s GLY 107 Ca 0.00 3.23 -0.02 0.00 0.00 0.00 0.00 44.72 47.94 1ngx s GLY 107 CO 0.00 3.29 -0.10 -0.51 0.00 0.00 0.00 173.10 175.78 1ngx s THR 108 N 2.34 2.96 -0.17 0.90 -4.23 -0.31 -3.75 115.64 113.37 1ngx s THR 108 Ca -0.02 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1ngx s THR 108 Cb -0.04 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1ngx s THR 108 CO -0.17 0.47 0.05 -0.89 -0.54 0.00 0.00 174.62 173.55 1ngx s THR 109 N 1.20 4.71 -0.13 3.99 2.01 -0.47 -0.03 115.64 126.92 1ngx s THR 109 Ca 0.02 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1ngx s THR 109 Cb -0.14 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1ngx s THR 109 CO -0.04 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.59 1ngx s VAL 110 N 0.14 3.37 -0.19 3.82 1.01 -0.53 -1.23 120.40 126.79 1ngx s VAL 110 Ca 0.04 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1ngx s VAL 110 Cb -0.12 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1ngx s VAL 110 CO 0.01 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 1ngx s THR 111 N 0.18 2.06 -0.38 3.92 2.01 -0.40 -1.89 115.64 121.15 1ngx s THR 111 Ca -0.05 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 1ngx s THR 111 Cb -0.15 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1ngx s THR 111 CO 0.04 0.47 0.22 -0.69 -0.69 0.00 0.00 174.62 173.97 1ngx s VAL 112 N 1.27 4.63 0.02 3.82 1.01 -1.26 0.45 120.40 130.35 1ngx s VAL 112 Ca 0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 1ngx s VAL 112 Cb -0.14 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1ngx s VAL 112 CO -0.12 -0.26 0.70 -0.55 0.00 0.00 0.00 175.10 174.87 1ngx s SER 113 N 1.58 -0.58 0.00 3.32 0.15 -0.17 -4.63 113.70 113.37 1ngx s SER 113 Ca 0.02 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.30 1ngx s SER 113 Cb -0.19 0.53 0.25 0.00 -1.71 0.00 0.00 66.02 64.90 1ngx s SER 113 CO 0.07 -0.71 1.25 -1.54 1.20 0.00 0.00 173.24 173.50 1ngx n SER 114 N 0.36 1.40 -4.77 5.45 3.41 -1.26 -3.95 113.62 114.27 1ngx n SER 114 Ca -0.17 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 56.92 1ngx n SER 114 Cb 0.60 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1ngx n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngx s ALA 115 N -2.62 3.55 0.56 7.33 0.00 -1.26 -4.98 121.76 124.35 1ngx s ALA 115 Ca 0.18 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 1ngx s ALA 115 Cb 0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1ngx s ALA 115 CO 0.61 -0.76 1.05 -1.12 0.00 0.00 0.00 175.76 175.55 1ngx s SER 116 N -0.20 5.96 0.26 0.00 0.01 -1.26 -4.97 113.70 113.50 1ngx s SER 116 Ca 0.52 1.84 -0.30 0.00 1.31 0.00 0.00 55.95 59.32 1ngx s SER 116 Cb -0.42 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.18 1ngx s SER 116 CO 0.53 -1.04 1.32 -0.89 0.41 0.00 0.00 173.24 173.56 1ngx s THR 117 N -2.34 2.97 -0.06 1.44 2.01 -1.26 -4.79 115.64 113.62 1ngx s THR 117 Ca 0.64 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1ngx s THR 117 Cb -0.16 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.84 1ngx s THR 117 CO 0.32 0.16 0.11 -0.75 -0.69 0.00 0.00 174.62 173.78 1ngx s LYS 118 N -0.80 0.02 0.61 4.92 2.20 0.32 -4.96 119.74 122.05 1ngx s LYS 118 Ca 0.54 0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 56.39 1ngx s LYS 118 Cb -0.38 -0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 35.64 1ngx s LYS 118 CO 0.44 -0.23 1.07 0.20 -0.36 0.00 0.00 175.35 176.46 1ngx s GLY 119 N 1.64 2.13 0.67 5.54 0.00 -1.26 -1.46 107.32 114.57 1ngx s GLY 119 Ca -0.03 0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1ngx s GLY 119 CO -0.05 0.74 0.99 2.56 0.00 0.00 0.00 173.10 177.34 1ngx s PRO 120 N -4.09 2.53 -0.09 2.90 0.04 -1.26 -4.59 135.00 130.44 1ngx s PRO 120 Ca 0.64 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.63 1ngx s PRO 120 Cb -0.17 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1ngx s PRO 120 CO 0.38 -1.03 -0.12 -1.12 0.04 0.00 0.00 177.00 175.15 1ngx s SER 121 N -4.42 4.14 -0.17 6.66 0.01 -0.41 -4.94 113.70 114.58 1ngx s SER 121 Ca 0.58 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.57 1ngx s SER 121 Cb -0.11 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 1ngx s SER 121 CO 0.46 0.26 -0.04 -0.69 0.41 0.00 0.00 173.24 173.64 1ngx s VAL 122 N -0.20 3.79 0.09 3.43 1.01 -1.26 -0.92 120.40 126.34 1ngx s VAL 122 Ca 0.01 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.70 1ngx s VAL 122 Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1ngx s VAL 122 CO 0.03 0.48 -0.25 -0.36 0.00 0.00 0.00 175.10 175.00 1ngx s PHE 123 N 0.57 2.15 0.38 5.22 0.08 -0.01 -4.96 117.98 121.41 1ngx s PHE 123 Ca -0.03 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.39 1ngx s PHE 123 Cb -0.14 -1.22 -0.10 0.00 -0.57 0.00 0.00 43.02 40.99 1ngx s PHE 123 CO 0.03 0.22 0.97 -1.25 -0.10 0.00 0.00 175.22 175.08 1ngx s PRO 124 N -1.69 4.36 -0.55 0.24 0.04 -1.26 -0.64 135.00 135.51 1ngx s PRO 124 Ca 0.11 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1ngx s PRO 124 Cb -0.10 -2.50 0.14 0.00 0.04 0.00 0.00 34.50 32.08 1ngx s PRO 124 CO 0.04 0.07 0.32 -0.51 0.04 0.00 0.00 177.00 176.97 1ngx s LEU 125 N -2.62 4.82 0.26 -3.56 1.43 -0.12 -4.82 118.68 114.07 1ngx s LEU 125 Ca 0.56 -2.82 -0.23 0.00 -1.03 0.00 0.00 54.13 50.61 1ngx s LEU 125 Cb -0.15 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.23 1ngx s LEU 125 CO 0.20 -0.32 0.83 0.00 0.23 0.00 0.00 176.35 177.29 1ngx s ALA 126 N -0.02 3.33 0.54 4.21 0.00 -1.26 -0.78 121.76 127.79 1ngx s ALA 126 Ca 0.16 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 1ngx s ALA 126 Cb -0.23 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1ngx s ALA 126 CO -0.02 0.26 1.17 -2.30 0.00 0.00 0.00 175.76 174.86 1ngx n PRO 127 N 0.81 1.37 -1.34 0.00 -0.02 -1.25 -4.77 135.00 129.80 1ngx n PRO 127 Ca -0.01 0.51 -0.54 0.00 -2.02 0.00 0.00 63.50 61.44 1ngx n PRO 127 Cb 0.50 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 1ngx n PRO 127 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ngx n SER 128 N -0.68 0.96 -4.85 2.55 7.64 -1.26 -4.53 113.62 113.45 1ngx n SER 128 Ca 0.11 0.50 -0.36 0.00 1.01 0.00 0.00 58.87 60.13 1ngx n SER 128 Cb 0.45 -0.99 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1ngx n SER 128 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ngx s SER 129 N 7.00 6.75 0.00 6.43 1.04 -1.26 -2.89 113.70 130.77 1ngx s SER 129 Ca 1.20 0.93 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1ngx s SER 129 Cb -1.30 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 62.59 1ngx s SER 129 CO 0.58 0.20 0.00 0.29 0.98 0.00 0.00 173.24 175.29 1ngx n LYS 130 N 1.15 0.00 -2.54 4.02 5.02 -1.26 -4.53 118.16 120.02 1ngx n LYS 130 Ca -0.09 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 1ngx n LYS 130 Cb 0.52 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1ngx n LYS 130 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ngx n SER 131 N 0.79 3.96 -4.80 4.39 7.64 -1.26 -5.07 113.62 119.27 1ngx n SER 131 Ca 0.00 -3.50 -0.37 0.00 1.01 0.00 0.00 58.87 56.01 1ngx n SER 131 Cb 0.00 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 1ngx n SER 131 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ngx s THR 132 N -4.95 4.46 0.00 0.44 -1.32 -1.14 -4.82 115.64 108.30 1ngx s THR 132 Ca 0.43 1.49 0.00 0.00 -1.21 0.00 0.00 61.69 62.41 1ngx s THR 132 Cb 0.41 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 1ngx s THR 132 CO -0.14 0.33 0.00 -1.20 -2.21 0.00 0.00 174.62 171.40 1ngx n SER 133 N 1.06 0.00 -0.00 8.08 7.64 -1.26 -5.04 113.62 124.09 1ngx n SER 133 Ca -0.03 -0.75 0.01 0.00 1.01 0.00 0.00 58.87 59.11 1ngx n SER 133 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1ngx n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngx n GLY 134 N 5.00 0.05 0.00 0.23 0.00 -1.26 -4.88 105.19 104.33 1ngx n GLY 134 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ngx n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngx n GLY 135 N 2.16 1.71 3.48 -0.02 0.00 -1.26 -4.42 105.19 106.84 1ngx n GLY 135 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ngx n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngx s THR 136 N 0.00 3.09 0.36 2.61 -4.23 -1.26 -1.92 115.64 114.28 1ngx s THR 136 Ca 0.00 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1ngx s THR 136 Cb 0.00 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1ngx s THR 136 CO 0.00 0.59 0.08 0.00 -0.54 0.00 0.00 174.62 174.75 1ngx s ALA 137 N -0.72 3.35 0.02 3.99 0.00 0.70 -4.79 121.76 124.31 1ngx s ALA 137 Ca 0.11 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 50.13 1ngx s ALA 137 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1ngx s ALA 137 CO 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 175.76 175.69 1ngx s ALA 138 N -2.51 0.68 0.24 0.00 0.00 -1.26 -0.79 121.76 118.12 1ngx s ALA 138 Ca 0.37 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 1ngx s ALA 138 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1ngx s ALA 138 CO 0.21 0.10 0.36 -0.48 0.00 0.00 0.00 175.76 175.94 1ngx s LEU 139 N -0.87 0.71 0.00 0.00 0.05 -0.73 -3.81 118.68 114.04 1ngx s LEU 139 Ca -0.02 -1.17 0.00 0.00 0.05 0.00 0.00 54.13 52.99 1ngx s LEU 139 Cb -0.06 1.24 0.00 0.00 -2.05 0.00 0.00 46.19 45.32 1ngx s LEU 139 CO 0.00 -1.06 0.00 0.61 -0.55 0.00 0.00 176.35 175.36 1ngx n GLY 140 N -0.37 0.52 2.88 -3.48 0.00 0.04 -0.78 105.19 103.99 1ngx n GLY 140 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1ngx n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx s LEU 142 N 0.40 3.81 -0.48 0.00 2.96 0.19 -1.55 118.68 124.01 1ngx s LEU 142 Ca -0.04 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1ngx s LEU 142 Cb -0.07 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.74 1ngx s LEU 142 CO -0.01 -0.10 0.38 -0.69 -1.32 0.00 0.00 176.35 174.62 1ngx s VAL 143 N 1.65 4.65 0.07 1.68 1.01 0.13 -0.83 120.40 128.76 1ngx s VAL 143 Ca 0.06 -1.53 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1ngx s VAL 143 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ngx s VAL 143 CO 0.06 -0.73 -0.03 -0.75 0.00 0.00 0.00 175.10 173.66 1ngx s LYS 144 N 1.48 2.48 -0.78 2.72 2.20 -0.10 -0.67 119.74 127.08 1ngx s LYS 144 Ca 0.04 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1ngx s LYS 144 Cb -0.26 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1ngx s LYS 144 CO 0.02 0.55 0.70 -0.25 -0.36 0.00 0.00 175.35 176.01 1ngx n ASP 145 N 0.80 -7.30 -4.25 1.43 8.00 -0.57 -1.29 116.55 113.38 1ngx n ASP 145 Ca -0.12 -0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 1ngx n ASP 145 Cb 0.52 -4.78 -0.10 0.00 -0.02 0.00 0.00 41.12 36.74 1ngx n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ngx s TYR 146 N -3.03 1.24 -0.28 1.24 -0.85 -0.79 -4.12 117.35 110.77 1ngx s TYR 146 Ca 0.03 -0.85 -0.24 0.00 -0.52 0.00 0.00 57.07 55.50 1ngx s TYR 146 Cb -0.01 -0.67 0.10 0.00 0.38 0.00 0.00 41.96 41.76 1ngx s TYR 146 CO 0.77 -0.02 0.86 0.12 -1.52 0.00 0.00 175.55 175.76 1ngx s PHE 147 N -3.44 -0.67 0.01 -3.49 5.36 -0.54 -0.49 117.98 114.73 1ngx s PHE 147 Ca 0.19 1.59 -0.00 0.00 -0.96 0.00 0.00 56.93 57.74 1ngx s PHE 147 Cb 0.04 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 1ngx s PHE 147 CO 0.01 -0.33 0.02 -0.35 -1.46 0.00 0.00 175.22 173.12 1ngx n PRO 148 N 2.70 0.60 -1.55 10.12 -0.04 -1.26 -0.52 135.00 145.05 1ngx n PRO 148 Ca -0.14 -0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 1ngx n PRO 148 Cb 0.56 -0.01 0.09 0.00 -0.04 0.00 0.00 33.50 34.10 1ngx n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ngx s GLU 149 N -2.43 2.09 0.41 0.54 0.41 -1.26 -4.80 118.70 113.66 1ngx s GLU 149 Ca 0.01 0.65 0.08 0.00 -0.41 0.00 0.00 54.97 55.30 1ngx s GLU 149 Cb -0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 1ngx s GLU 149 CO 0.01 -1.62 0.32 -1.25 -0.49 0.00 0.00 175.26 172.23 1ngx s PRO 150 N -5.15 2.45 -0.02 0.39 0.04 -1.26 -4.91 135.00 126.55 1ngx s PRO 150 Ca 0.61 -1.61 0.05 0.00 0.04 0.00 0.00 61.00 60.09 1ngx s PRO 150 Cb -0.14 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1ngx s PRO 150 CO 0.54 -0.16 -0.17 0.08 0.04 0.00 0.00 177.00 177.33 1ngx s VAL 151 N -2.50 1.37 0.14 -0.36 1.01 -1.26 -4.33 120.40 114.47 1ngx s VAL 151 Ca 0.46 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1ngx s VAL 151 Cb -0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1ngx s VAL 151 CO 0.26 0.39 -0.17 0.42 0.00 0.00 0.00 175.10 176.01 1ngx s THR 152 N -0.33 2.87 -0.01 3.92 -4.23 -0.61 -4.98 115.64 112.27 1ngx s THR 152 Ca 0.05 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1ngx s THR 152 Cb -0.07 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1ngx s THR 152 CO -0.00 0.02 0.01 -0.69 -0.54 0.00 0.00 174.62 173.42 1ngx s VAL 153 N -1.34 0.03 0.19 2.29 1.01 -1.26 -1.85 120.40 119.46 1ngx s VAL 153 Ca 0.20 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1ngx s VAL 153 Cb -0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1ngx s VAL 153 CO 0.11 0.07 -0.07 -0.55 0.00 0.00 0.00 175.10 174.66 1ngx s SER 154 N 0.63 1.96 -0.08 3.32 0.15 -0.62 -4.96 113.70 114.11 1ngx s SER 154 Ca -0.05 -1.09 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1ngx s SER 154 Cb -0.08 -0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1ngx s SER 154 CO -0.02 -0.37 -0.24 0.26 1.20 0.00 0.00 173.24 174.08 1ngx s TRP 155 N -3.29 2.43 -1.53 3.44 0.52 -1.26 0.01 118.94 119.26 1ngx s TRP 155 Ca 0.22 -0.86 -0.11 0.00 0.02 0.00 0.00 56.10 55.37 1ngx s TRP 155 Cb 0.03 -1.61 0.08 0.00 -1.15 0.00 0.00 33.47 30.82 1ngx s TRP 155 CO 0.05 -0.31 0.82 0.09 0.02 0.00 0.00 176.95 177.61 1ngx n ASN 156 N 3.25 -3.28 -2.34 2.95 5.03 0.62 -1.12 115.26 120.38 1ngx n ASN 156 Ca -0.18 -0.87 -0.16 0.00 0.87 0.00 0.00 54.58 54.23 1ngx n ASN 156 Cb 0.52 -3.51 -0.01 0.00 -1.02 0.00 0.00 39.78 35.76 1ngx n ASN 156 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ngx n SER 157 N -2.84 -4.67 0.00 6.41 7.64 -1.26 -1.22 113.62 117.67 1ngx n SER 157 Ca -0.05 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ngx n SER 157 Cb 0.56 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1ngx n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngx n GLY 158 N -0.84 0.09 0.17 0.23 0.00 -0.27 -4.94 105.19 99.63 1ngx n GLY 158 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1ngx n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx h ALA 159 N 0.00 1.00 -2.95 4.61 0.00 -1.07 -3.41 119.26 117.43 1ngx h ALA 159 Ca 0.00 -0.44 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 1ngx h ALA 159 Cb 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 17.46 1ngx h ALA 159 CO 0.00 0.60 -0.58 -1.17 0.00 0.00 0.00 179.25 178.10 1ngx s LEU 160 N -7.33 4.13 0.00 0.00 2.96 -1.02 -4.89 118.68 112.53 1ngx s LEU 160 Ca -0.01 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1ngx s LEU 160 Cb 0.12 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1ngx s LEU 160 CO 0.72 -0.24 0.00 0.35 -1.32 0.00 0.00 176.35 175.86 1ngx n THR 161 N 4.92 0.00 -2.10 3.68 -2.24 -1.26 -4.23 114.28 113.04 1ngx n THR 161 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1ngx n THR 161 Cb 0.48 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1ngx n THR 161 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ngx s SER 162 N -2.14 6.76 0.00 3.42 1.04 -1.26 -2.72 113.70 118.80 1ngx s SER 162 Ca 0.00 2.40 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1ngx s SER 162 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1ngx s SER 162 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ngx n GLY 163 N 3.58 0.71 3.77 7.32 0.00 -1.26 -4.70 105.19 114.60 1ngx n GLY 163 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1ngx n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngx s VAL 164 N -2.91 4.50 -0.20 1.61 0.11 -1.10 -2.52 120.40 119.88 1ngx s VAL 164 Ca 0.00 1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 60.69 1ngx s VAL 164 Cb 0.00 -4.13 0.07 0.00 -1.53 0.00 0.00 36.38 30.79 1ngx s VAL 164 CO 0.00 0.47 0.06 -1.00 -3.33 0.00 0.00 175.10 171.30 1ngx s HIS 165 N -0.77 0.80 -0.33 1.54 3.76 0.44 -4.99 115.29 115.74 1ngx s HIS 165 Ca 0.37 -0.78 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 1ngx s HIS 165 Cb -0.22 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.50 1ngx s HIS 165 CO 0.25 -0.62 0.16 0.99 -0.85 0.00 0.00 174.74 174.67 1ngx s THR 166 N 1.93 4.57 0.55 1.30 2.01 -1.26 -0.93 115.64 123.81 1ngx s THR 166 Ca 0.01 -0.54 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 1ngx s THR 166 Cb -0.17 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1ngx s THR 166 CO -0.12 -0.01 1.01 -0.36 -0.69 0.00 0.00 174.62 174.46 1ngx s PHE 167 N 1.59 3.31 0.51 4.92 0.08 -0.35 -5.01 117.98 123.02 1ngx s PHE 167 Ca 0.04 1.47 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 1ngx s PHE 167 Cb -0.18 -2.86 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 1ngx s PHE 167 CO 0.06 -0.64 1.25 -2.14 -0.10 0.00 0.00 175.22 173.65 1ngx s PRO 168 N -4.15 3.43 0.70 0.24 0.02 -1.26 -4.53 135.00 129.45 1ngx s PRO 168 Ca 0.60 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 1ngx s PRO 168 Cb -0.12 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.12 1ngx s PRO 168 CO 0.35 -0.88 1.13 0.00 -0.33 0.00 0.00 177.00 177.27 1ngx s ALA 169 N -1.45 2.34 -0.05 -1.55 0.00 -1.26 -4.76 121.76 115.02 1ngx s ALA 169 Ca 0.68 0.57 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1ngx s ALA 169 Cb -0.34 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1ngx s ALA 169 CO 0.40 -1.51 -0.25 0.08 0.00 0.00 0.00 175.76 174.48 1ngx s VAL 170 N -2.36 2.04 -0.27 0.00 1.01 0.13 -4.95 120.40 116.01 1ngx s VAL 170 Ca 0.68 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1ngx s VAL 170 Cb -0.22 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1ngx s VAL 170 CO 0.45 0.57 0.66 -0.22 0.00 0.00 0.00 175.10 176.56 1ngx s LEU 171 N -0.25 4.09 0.64 3.92 2.96 -1.26 -1.43 118.68 127.34 1ngx s LEU 171 Ca -0.01 0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1ngx s LEU 171 Cb -0.13 -2.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 1ngx s LEU 171 CO 0.03 -0.43 1.02 -1.10 -1.32 0.00 0.00 176.35 174.54 1ngx s GLN 172 N 2.60 3.22 0.60 1.98 -0.21 -0.02 -4.94 119.66 122.89 1ngx s GLN 172 Ca 0.27 0.49 0.40 0.00 0.02 0.00 0.00 55.36 56.54 1ngx s GLN 172 Cb -0.15 -2.11 2.07 0.00 1.00 0.00 0.00 33.01 33.82 1ngx s GLN 172 CO 0.10 -0.73 2.21 0.66 -2.12 0.00 0.00 175.29 175.40 1ngx h SER 173 N -0.38 0.00 1.24 5.90 4.64 -1.97 -0.21 113.55 122.77 1ngx h SER 173 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ngx h SER 173 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ngx h SER 173 CO 0.63 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.36 1ngx h SER 174 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.68 1ngx h SER 174 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngx h SER 174 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1ngx h SER 174 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ngx n GLY 175 N 0.54 0.53 3.81 -0.77 0.00 -0.09 -5.07 105.19 104.14 1ngx n GLY 175 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1ngx n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngx s LEU 176 N 0.00 3.89 0.36 0.99 1.43 -1.26 -4.86 118.68 119.24 1ngx s LEU 176 Ca 0.00 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1ngx s LEU 176 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 1ngx s LEU 176 CO 0.00 0.13 0.58 -0.31 0.23 0.00 0.00 176.35 176.98 1ngx s TYR 177 N -1.55 3.51 -0.00 0.29 2.02 0.36 -0.84 117.35 121.14 1ngx s TYR 177 Ca 0.31 0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1ngx s TYR 177 Cb -0.11 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1ngx s TYR 177 CO 0.23 0.06 0.02 -1.12 -1.57 0.00 0.00 175.55 173.18 1ngx s SER 178 N -4.01 0.05 -0.04 2.29 0.01 -0.51 -1.51 113.70 109.97 1ngx s SER 178 Ca 0.41 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 1ngx s SER 178 Cb -0.10 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.23 1ngx s SER 178 CO 0.37 -0.12 0.14 -0.22 0.41 0.00 0.00 173.24 173.82 1ngx s LEU 179 N -0.50 1.49 0.04 2.44 0.20 0.15 -0.69 118.68 121.82 1ngx s LEU 179 Ca -0.06 0.21 0.09 0.00 0.69 0.00 0.00 54.13 55.06 1ngx s LEU 179 Cb -0.03 0.50 -0.03 0.00 -0.43 0.00 0.00 46.19 46.20 1ngx s LEU 179 CO -0.00 -0.09 -0.25 -0.44 -0.29 0.00 0.00 176.35 175.27 1ngx s SER 180 N -0.13 3.03 -0.04 3.68 0.01 -1.26 0.19 113.70 119.17 1ngx s SER 180 Ca -0.02 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1ngx s SER 180 Cb -0.02 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1ngx s SER 180 CO 0.00 0.25 -0.07 -0.55 0.41 0.00 0.00 173.24 173.28 1ngx s SER 181 N -1.18 1.13 0.21 2.44 0.15 -0.59 -1.22 113.70 114.65 1ngx s SER 181 Ca 0.11 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.63 1ngx s SER 181 Cb -0.10 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1ngx s SER 181 CO 0.02 -0.01 -0.03 0.68 1.20 0.00 0.00 173.24 175.09 1ngx s VAL 182 N 0.69 1.13 -0.12 4.45 -7.23 -0.11 -0.63 120.40 118.58 1ngx s VAL 182 Ca -0.11 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 1ngx s VAL 182 Cb -0.13 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.62 1ngx s VAL 182 CO 0.01 -0.43 0.32 0.54 -0.31 0.00 0.00 175.10 175.22 1ngx s VAL 183 N -3.36 -0.01 -0.13 1.32 0.11 0.04 -0.42 120.40 117.94 1ngx s VAL 183 Ca 0.25 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1ngx s VAL 183 Cb 0.05 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1ngx s VAL 183 CO 0.07 0.01 0.08 0.42 -3.33 0.00 0.00 175.10 172.36 1ngx s THR 184 N 0.47 5.02 0.12 5.04 -4.23 -1.05 -1.77 115.64 119.24 1ngx s THR 184 Ca -0.02 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1ngx s THR 184 Cb -0.04 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 1ngx s THR 184 CO -0.02 0.56 0.16 0.68 -0.54 0.00 0.00 174.62 175.46 1ngx s VAL 185 N -0.51 0.12 0.23 2.29 -7.23 0.03 -4.69 120.40 110.64 1ngx s VAL 185 Ca 0.11 -1.49 -0.32 0.00 -1.81 0.00 0.00 61.98 58.47 1ngx s VAL 185 Cb -0.12 -1.69 -0.12 0.00 0.56 0.00 0.00 36.38 35.02 1ngx s VAL 185 CO 0.02 -0.54 1.66 -2.65 -0.31 0.00 0.00 175.10 173.28 1ngx n PRO 186 N -0.10 2.68 0.33 4.82 -0.02 -1.26 -0.22 135.00 141.23 1ngx n PRO 186 Ca -0.10 0.96 0.20 0.00 -2.02 0.00 0.00 63.50 62.54 1ngx n PRO 186 Cb 0.63 -2.78 1.06 0.00 -0.02 0.00 0.00 33.50 32.39 1ngx n PRO 186 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ngx h SER 187 N 6.02 0.00 1.80 2.55 0.02 -1.59 -0.97 113.55 121.37 1ngx h SER 187 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1ngx h SER 187 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ngx h SER 187 CO 0.90 0.00 -0.20 0.77 -1.14 0.00 0.00 176.83 177.15 1ngx h SER 188 N 0.00 0.00 1.29 3.07 4.64 -1.82 -3.24 113.55 117.49 1ngx h SER 188 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ngx h SER 188 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ngx h SER 188 CO -0.00 0.10 -0.05 -1.20 -0.87 0.00 0.00 176.83 174.80 1ngx n SER 189 N -3.08 0.59 0.34 4.97 7.64 -0.37 -3.68 113.62 120.03 1ngx n SER 189 Ca 0.03 0.51 0.22 0.00 1.01 0.00 0.00 58.87 60.64 1ngx n SER 189 Cb 0.57 -0.63 1.18 0.00 -1.01 0.00 0.00 64.21 64.32 1ngx n SER 189 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ngx h LEU 190 N 0.00 0.00 -0.30 -3.43 3.38 -1.63 -0.96 115.31 112.37 1ngx h LEU 190 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ngx h LEU 190 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ngx h LEU 190 CO 0.00 0.00 -0.47 0.61 0.09 0.00 0.00 178.44 178.67 1ngx n GLY 191 N -1.11 -0.83 1.53 0.83 0.00 -1.24 -4.73 105.19 99.63 1ngx n GLY 191 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1ngx n GLY 191 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ngx n THR 192 N -1.01 0.55 -1.85 2.61 -1.04 -0.60 -5.09 114.28 107.85 1ngx n THR 192 Ca 0.08 0.18 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1ngx n THR 192 Cb 0.35 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1ngx n THR 192 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ngx s GLN 193 N -2.00 4.03 -0.02 -2.82 2.00 -0.47 -5.01 119.66 115.37 1ngx s GLN 193 Ca 0.00 2.48 -0.11 0.00 -2.00 0.00 0.00 55.36 55.73 1ngx s GLN 193 Cb 0.00 -2.90 -0.05 0.00 0.80 0.00 0.00 33.01 30.86 1ngx s GLN 193 CO 0.00 -0.56 0.32 0.95 -0.50 0.00 0.00 175.29 175.50 1ngx s THR 194 N -1.15 5.19 -0.20 -0.34 -4.23 -1.26 -4.78 115.64 108.87 1ngx s THR 194 Ca 0.54 0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1ngx s THR 194 Cb -0.45 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 69.84 1ngx s THR 194 CO 0.60 0.54 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.85 1ngx s TYR 195 N -1.12 2.02 -0.11 3.99 2.02 -1.26 -4.97 117.35 117.92 1ngx s TYR 195 Ca 0.23 -1.39 0.03 0.00 -0.37 0.00 0.00 57.07 55.57 1ngx s TYR 195 Cb -0.15 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1ngx s TYR 195 CO 0.12 -0.70 -0.22 0.42 -1.57 0.00 0.00 175.55 173.60 1ngx s ILE 196 N 1.53 1.96 -0.17 2.71 1.01 -1.26 -0.60 121.20 126.37 1ngx s ILE 196 Ca -0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 1ngx s ILE 196 Cb -0.17 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1ngx s ILE 196 CO -0.07 0.54 0.26 0.00 0.00 0.00 0.00 174.94 175.66 1ngx s ASN 198 N 0.45 5.83 -0.13 0.00 -0.87 0.10 -1.36 114.94 118.97 1ngx s ASN 198 Ca 0.15 -0.81 -0.03 0.00 -1.57 0.00 0.00 52.86 50.59 1ngx s ASN 198 Cb -0.12 -2.07 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 1ngx s ASN 198 CO 0.02 -0.35 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.51 1ngx s VAL 199 N 1.62 4.20 -0.05 1.60 1.01 0.10 -1.59 120.40 127.29 1ngx s VAL 199 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1ngx s VAL 199 Cb -0.19 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1ngx s VAL 199 CO 0.08 0.54 -0.02 0.21 0.00 0.00 0.00 175.10 175.91 1ngx s ASN 200 N -0.23 0.97 -0.61 3.32 2.47 -0.77 -0.83 114.94 119.25 1ngx s ASN 200 Ca 0.05 -0.08 0.04 0.00 0.42 0.00 0.00 52.86 53.30 1ngx s ASN 200 Cb -0.12 -0.37 0.15 0.00 -1.45 0.00 0.00 41.25 39.46 1ngx s ASN 200 CO 0.02 -0.11 0.39 -2.28 -3.72 0.00 0.00 177.10 171.40 1ngx s HIS 201 N 1.27 3.29 0.27 0.43 5.65 0.88 -1.57 115.29 125.51 1ngx s HIS 201 Ca -0.06 -3.21 -0.00 0.00 0.25 0.00 0.00 55.06 52.03 1ngx s HIS 201 Cb -0.13 -2.67 0.59 0.00 -1.18 0.00 0.00 32.58 29.19 1ngx s HIS 201 CO -0.02 -0.64 1.72 -0.22 -0.65 0.00 0.00 174.74 174.93 1ngx h LYS 202 N 5.88 0.43 -0.98 2.88 1.63 -1.79 -1.84 116.57 122.77 1ngx h LYS 202 Ca 0.06 -0.03 0.24 0.00 -0.85 0.00 0.00 60.65 60.07 1ngx h LYS 202 Cb 0.82 -0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.27 1ngx h LYS 202 CO 0.69 0.29 0.64 -1.35 -3.45 0.00 0.00 179.45 176.27 1ngx h PRO 203 N 0.45 0.38 -0.38 1.90 0.11 -1.91 -0.35 132.00 132.20 1ngx h PRO 203 Ca 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1ngx h PRO 203 Cb 0.82 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1ngx h PRO 203 CO -0.46 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 176.45 1ngx n SER 204 N -4.55 3.10 -3.80 -2.05 3.41 -0.75 -4.96 113.62 104.02 1ngx n SER 204 Ca 0.22 -1.92 -0.28 0.00 -0.26 0.00 0.00 58.87 56.63 1ngx n SER 204 Cb 0.80 -0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1ngx n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ngx n ASN 205 N 0.96 -5.40 -4.43 4.04 5.03 -0.14 -4.93 115.26 110.38 1ngx n ASN 205 Ca 0.15 -0.69 -0.36 0.00 0.87 0.00 0.00 54.58 54.55 1ngx n ASN 205 Cb 0.48 -4.28 -0.13 0.00 -1.02 0.00 0.00 39.78 34.83 1ngx n ASN 205 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ngx s THR 206 N -3.30 4.16 -0.04 3.41 2.01 -0.87 -5.00 115.64 116.01 1ngx s THR 206 Ca 0.64 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1ngx s THR 206 Cb -0.31 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1ngx s THR 206 CO 0.79 0.36 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.39 1ngx s LYS 207 N 1.49 1.63 -0.01 4.92 1.02 -1.26 -0.08 119.74 127.44 1ngx s LYS 207 Ca 0.06 -0.52 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 1ngx s LYS 207 Cb -0.15 -1.41 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 1ngx s LYS 207 CO 0.02 0.19 0.01 0.08 -0.92 0.00 0.00 175.35 174.73 1ngx s VAL 208 N 0.16 -0.02 -0.18 3.17 1.01 -0.01 -5.00 120.40 119.52 1ngx s VAL 208 Ca -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ngx s VAL 208 Cb -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1ngx s VAL 208 CO 0.02 0.03 -0.15 -1.81 0.00 0.00 0.00 175.10 173.19 1ngx s ASP 209 N 0.36 3.54 -0.12 3.32 1.01 -1.26 0.00 116.67 123.53 1ngx s ASP 209 Ca -0.03 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.70 1ngx s ASP 209 Cb -0.04 -1.56 0.02 0.00 1.01 0.00 0.00 42.92 42.34 1ngx s ASP 209 CO -0.01 0.02 -0.15 -0.75 0.21 0.00 0.00 175.17 174.49 1ngx s LYS 210 N 1.22 2.20 -0.02 8.23 2.20 -0.46 -4.95 119.74 128.16 1ngx s LYS 210 Ca 0.03 -0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 1ngx s LYS 210 Cb -0.14 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 1ngx s LYS 210 CO -0.07 -0.10 0.83 0.21 -0.36 0.00 0.00 175.35 175.86 1ngx s LYS 211 N 1.10 4.50 -0.18 4.03 2.20 -1.26 -1.08 119.74 129.05 1ngx s LYS 211 Ca -0.04 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 1ngx s LYS 211 Cb -0.14 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1ngx s LYS 211 CO -0.03 0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.31 1ngx s ILE 212 N 0.79 3.01 0.05 5.43 -1.09 0.23 -4.99 121.20 124.63 1ngx s ILE 212 Ca 0.44 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1ngx s ILE 212 Cb -0.19 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1ngx s ILE 212 CO 0.23 0.48 -0.03 0.68 -1.23 0.00 0.00 174.94 175.07 1ngx s VAL 213 N 1.10 0.25 0.29 2.92 -7.23 -1.26 -4.45 120.40 112.01 1ngx s VAL 213 Ca 0.01 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1ngx s VAL 213 Cb -0.15 -1.51 -0.12 0.00 0.56 0.00 0.00 36.38 35.17 1ngx s VAL 213 CO -0.02 -0.98 1.57 -2.65 -0.31 0.00 0.00 175.10 172.70 1ngx n PRO 214 N 0.12 2.60 -2.53 4.82 -0.02 -1.26 -4.59 135.00 134.15 1ngx n PRO 214 Ca -0.14 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1ngx n PRO 214 Cb 0.61 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1ngx n PRO 214 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ngx s LYS 215 N -0.50 4.13 0.00 -0.52 0.00 -1.26 -5.01 119.74 116.59 1ngx s LYS 215 Ca 0.65 1.52 0.30 0.00 0.00 0.00 0.00 55.97 58.43 1ngx s LYS 215 Cb -0.52 -2.52 1.39 0.00 0.00 0.00 0.00 37.83 36.19 1ngx s LYS 215 CO 0.49 -0.17 1.94 -1.13 0.00 0.00 0.00 175.35 176.47