#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 1.51 0.32 2.12 -0.14 -1.26 -4.85 119.74 117.44 2kfw s LYS 2 Ca 0.00 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 2kfw s LYS 2 Cb 0.00 -1.45 -0.13 0.00 -1.68 0.00 0.00 37.83 34.57 2kfw s LYS 2 CO 0.00 0.39 1.29 0.28 -0.76 0.00 0.00 175.35 176.55 2kfw n VAL 3 N 2.66 1.78 -3.82 3.17 0.31 -1.26 -4.64 118.33 116.52 2kfw n VAL 3 Ca -0.15 -0.45 -0.10 0.00 -0.01 0.00 0.00 64.34 63.63 2kfw n VAL 3 Cb 0.54 -1.50 0.01 0.00 -0.91 0.00 0.00 33.84 31.98 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw n ALA 4 N 0.65 -1.27 -0.74 3.52 0.00 -1.26 -1.98 120.51 119.42 2kfw n ALA 4 Ca 0.07 -1.29 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 2kfw n ALA 4 Cb 0.35 1.03 0.17 0.00 0.00 0.00 0.00 19.45 21.00 2kfw n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kfw s LYS 5 N -2.28 0.92 -1.34 0.00 1.02 -1.26 -3.39 119.74 113.41 2kfw s LYS 5 Ca 0.19 1.43 -0.04 0.00 0.02 0.00 0.00 55.97 57.56 2kfw s LYS 5 Cb -0.04 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2kfw s LYS 5 CO 0.14 -2.66 0.90 -0.25 -0.92 0.00 0.00 175.35 172.56 2kfw n ASP 6 N -4.24 -2.93 -3.29 2.83 8.00 -1.17 -4.91 116.55 110.84 2kfw n ASP 6 Ca 0.11 -0.72 -0.08 0.00 0.71 0.00 0.00 54.79 54.80 2kfw n ASP 6 Cb 0.52 -4.43 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kfw s LEU 7 N -6.83 -0.80 0.12 0.64 1.43 -1.22 -4.11 118.68 107.92 2kfw s LEU 7 Ca 0.23 -0.64 -0.35 0.00 -1.03 0.00 0.00 54.13 52.33 2kfw s LEU 7 Cb -0.11 1.18 -0.15 0.00 0.03 0.00 0.00 46.19 47.14 2kfw s LEU 7 CO 0.78 -0.31 1.46 0.55 0.23 0.00 0.00 176.35 179.06 2kfw n VAL 8 N 5.00 0.00 -3.68 -1.59 3.14 0.67 -2.77 118.33 119.11 2kfw n VAL 8 Ca 0.05 -0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.27 2kfw n VAL 8 Cb 0.50 -1.16 -0.15 0.00 -1.06 0.00 0.00 33.84 31.97 2kfw n VAL 8 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kfw s VAL 9 N 0.71 -0.23 -0.53 1.55 0.11 0.17 -1.07 120.40 121.12 2kfw s VAL 9 Ca 0.82 0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 59.96 2kfw s VAL 9 Cb -0.82 -0.30 0.05 0.00 -1.53 0.00 0.00 36.38 33.77 2kfw s VAL 9 CO 0.43 0.13 0.81 -0.55 -3.33 0.00 0.00 175.10 172.59 2kfw s SER 10 N 2.06 6.30 -0.16 3.54 0.15 -1.24 -3.13 113.70 121.22 2kfw s SER 10 Ca 0.00 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 2kfw s SER 10 Cb -0.12 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2kfw s SER 10 CO -0.06 -1.08 -0.03 -1.48 1.20 0.00 0.00 173.24 171.79 2kfw s LEU 11 N 3.42 1.46 0.44 3.45 0.05 -1.18 -0.87 118.68 125.45 2kfw s LEU 11 Ca 0.25 -0.65 -0.21 0.00 0.05 0.00 0.00 54.13 53.56 2kfw s LEU 11 Cb -0.15 -0.81 -0.10 0.00 -2.05 0.00 0.00 46.19 43.08 2kfw s LEU 11 CO 0.17 -0.21 1.00 0.00 -0.55 0.00 0.00 176.35 176.76 2kfw s ALA 12 N 1.70 2.99 -0.21 1.48 0.00 -1.05 -4.29 121.76 122.37 2kfw s ALA 12 Ca 0.01 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 2kfw s ALA 12 Cb -0.15 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.81 2kfw s ALA 12 CO -0.07 -0.09 0.57 1.52 0.00 0.00 0.00 175.76 177.68 2kfw s TYR 13 N -2.00 -0.63 -0.19 0.00 1.13 -1.24 -1.12 117.35 113.31 2kfw s TYR 13 Ca 0.63 1.53 -0.07 0.00 -1.41 0.00 0.00 57.07 57.75 2kfw s TYR 13 Cb -0.14 0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 2kfw s TYR 13 CO 0.18 -0.30 0.05 -1.14 -2.51 0.00 0.00 175.55 171.83 2kfw s GLN 14 N 0.32 3.87 -0.03 -3.49 0.74 -0.71 -1.75 119.66 118.60 2kfw s GLN 14 Ca -0.00 -0.40 0.03 0.00 0.05 0.00 0.00 55.36 55.04 2kfw s GLN 14 Cb -0.04 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 2kfw s GLN 14 CO 0.01 0.18 -0.08 0.54 -0.55 0.00 0.00 175.29 175.38 2kfw s VAL 15 N 0.61 3.54 -0.05 1.34 0.11 -0.24 -1.27 120.40 124.43 2kfw s VAL 15 Ca 0.02 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 2kfw s VAL 15 Cb -0.13 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 2kfw s VAL 15 CO 0.02 0.49 0.13 -0.13 -3.33 0.00 0.00 175.10 172.28 2kfw s ARG 16 N -1.11 0.12 0.37 1.54 1.81 -0.60 -3.33 118.95 117.75 2kfw s ARG 16 Ca 0.14 0.25 -0.14 0.00 -1.72 0.00 0.00 55.73 54.27 2kfw s ARG 16 Cb -0.11 -0.04 -0.08 0.00 -0.45 0.00 0.00 34.95 34.27 2kfw s ARG 16 CO 0.04 -0.08 0.77 0.95 -0.68 0.00 0.00 175.30 176.30 2kfw s THR 17 N 0.53 4.70 0.52 0.02 -4.23 0.87 -3.12 115.64 114.93 2kfw s THR 17 Ca -0.04 0.87 0.28 0.00 -1.18 0.00 0.00 61.69 61.62 2kfw s THR 17 Cb -0.05 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.57 2kfw s THR 17 CO -0.02 -0.34 1.92 1.05 -0.54 0.00 0.00 174.62 176.70 2kfw h GLU 18 N 1.82 0.05 0.00 3.99 4.11 -1.89 0.47 114.58 123.13 2kfw h GLU 18 Ca -0.48 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2kfw h GLU 18 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kfw h GLU 18 CO 0.64 0.03 0.00 -3.47 0.07 0.00 0.00 179.01 176.29 2kfw n ASP 19 N -4.33 0.14 -0.10 3.06 2.03 -1.26 -4.78 116.55 111.31 2kfw n ASP 19 Ca 0.15 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2kfw n ASP 19 Cb 0.81 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 20 N -1.20 1.15 3.37 0.27 0.00 0.17 -5.09 105.19 103.85 2kfw n GLY 20 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 2kfw n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kfw s VAL 21 N -2.21 2.14 -0.35 1.61 1.01 -1.18 -4.93 120.40 116.49 2kfw s VAL 21 Ca 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.15 2kfw s VAL 21 Cb 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.50 2kfw s VAL 21 CO 0.00 0.03 0.15 -0.22 0.00 0.00 0.00 175.10 175.05 2kfw s LEU 22 N -2.10 4.44 0.14 3.92 0.20 -1.26 -0.09 118.68 123.93 2kfw s LEU 22 Ca 0.13 -1.02 -0.01 0.00 0.69 0.00 0.00 54.13 53.92 2kfw s LEU 22 Cb -0.10 -1.94 -0.06 0.00 -0.43 0.00 0.00 46.19 43.66 2kfw s LEU 22 CO 0.06 -0.34 1.33 0.58 -0.29 0.00 0.00 176.35 177.69 2kfw h VAL 23 N 6.01 1.45 -1.51 1.68 2.07 -1.94 -3.47 116.25 120.54 2kfw h VAL 23 Ca -0.25 -2.55 0.10 0.00 0.82 0.00 0.00 66.70 64.82 2kfw h VAL 23 Cb 1.10 2.46 -0.23 0.00 -1.52 0.00 0.00 31.29 33.09 2kfw h VAL 23 CO 0.63 0.75 0.60 -0.62 0.02 0.00 0.00 177.57 178.95 2kfw s ASP 24 N -7.01 -0.33 -0.14 0.57 -1.08 -1.26 -5.06 116.67 102.37 2kfw s ASP 24 Ca -0.04 0.35 -0.08 0.00 -0.52 0.00 0.00 52.55 52.26 2kfw s ASP 24 Cb 0.09 0.27 0.05 0.00 -1.46 0.00 0.00 42.92 41.87 2kfw s ASP 24 CO 0.85 -0.31 0.33 -0.70 0.52 0.00 0.00 175.17 175.86 2kfw s GLU 25 N -1.12 0.31 -0.21 4.34 2.12 -1.26 -1.08 118.70 121.80 2kfw s GLU 25 Ca -0.00 0.64 -0.05 0.00 0.36 0.00 0.00 54.97 55.91 2kfw s GLU 25 Cb -0.01 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 2kfw s GLU 25 CO 0.00 -0.15 0.00 0.45 -0.54 0.00 0.00 175.26 175.03 2kfw s SER 26 N 1.20 4.80 0.64 -1.70 0.15 -0.72 -4.95 113.70 113.12 2kfw s SER 26 Ca -0.08 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.20 2kfw s SER 26 Cb -0.09 -1.83 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2kfw s SER 26 CO -0.09 0.04 1.07 -2.16 1.20 0.00 0.00 173.24 173.30 2kfw s PRO 27 N 1.15 3.04 0.38 5.44 0.04 -1.26 -3.59 135.00 140.20 2kfw s PRO 27 Ca 0.03 1.20 0.16 0.00 0.04 0.00 0.00 61.00 62.42 2kfw s PRO 27 Cb -0.14 -1.99 0.76 0.00 0.04 0.00 0.00 34.50 33.16 2kfw s PRO 27 CO 0.01 -1.04 1.81 0.28 0.04 0.00 0.00 177.00 178.11 2kfw h VAL 28 N -0.01 1.11 0.00 -0.36 2.07 -1.98 -2.15 116.25 114.93 2kfw h VAL 28 Ca -0.46 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2kfw h VAL 28 Cb 1.22 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2kfw h VAL 28 CO 0.56 0.36 0.00 -1.54 0.02 0.00 0.00 177.57 176.97 2kfw n SER 29 N -3.88 0.00 -3.03 0.57 3.41 -1.26 -3.98 113.62 105.46 2kfw n SER 29 Ca -0.01 -0.09 -0.17 0.00 -0.26 0.00 0.00 58.87 58.34 2kfw n SER 29 Cb 0.43 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kfw n ALA 30 N -1.25 0.65 -1.77 7.33 0.00 -0.81 -5.13 120.51 119.54 2kfw n ALA 30 Ca 0.10 -2.36 -0.39 0.00 0.00 0.00 0.00 53.44 50.80 2kfw n ALA 30 Cb 0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2kfw n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kfw s PRO 31 N -0.05 4.29 -0.50 0.00 0.04 -1.23 -4.29 135.00 133.27 2kfw s PRO 31 Ca 0.33 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 2kfw s PRO 31 Cb 0.14 -2.83 0.03 0.00 0.04 0.00 0.00 34.50 31.88 2kfw s PRO 31 CO -0.16 -0.08 0.90 -0.51 0.04 0.00 0.00 177.00 177.19 2kfw s LEU 32 N -2.15 4.11 -0.00 -3.56 1.43 -1.26 -4.79 118.68 112.46 2kfw s LEU 32 Ca 0.53 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 2kfw s LEU 32 Cb -0.29 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2kfw s LEU 32 CO 0.37 -1.09 0.85 -0.62 0.23 0.00 0.00 176.35 176.08 2kfw s ASP 33 N 2.48 7.23 0.23 2.29 2.15 -1.26 -3.10 116.67 126.69 2kfw s ASP 33 Ca 0.33 1.48 -0.22 0.00 0.43 0.00 0.00 52.55 54.57 2kfw s ASP 33 Cb -0.12 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2kfw s ASP 33 CO 0.23 -0.14 0.74 -0.31 -0.17 0.00 0.00 175.17 175.51 2kfw s TYR 34 N 0.62 -0.25 -0.02 -5.34 2.02 -1.18 -4.91 117.35 108.30 2kfw s TYR 34 Ca 0.44 -0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.70 2kfw s TYR 34 Cb -0.20 0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 41.98 2kfw s TYR 34 CO 0.24 -1.10 1.31 -1.17 -1.57 0.00 0.00 175.55 173.26 2kfw s LEU 35 N -2.88 4.31 0.45 -1.29 2.96 -1.26 -0.65 118.68 120.31 2kfw s LEU 35 Ca 0.09 1.99 -0.24 0.00 -0.22 0.00 0.00 54.13 55.76 2kfw s LEU 35 Cb -0.04 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 2kfw s LEU 35 CO 0.03 -0.65 1.22 -2.28 -1.32 0.00 0.00 176.35 173.34 2kfw s HIS 36 N 2.22 2.82 0.00 5.38 5.65 -1.11 -2.12 115.29 128.12 2kfw s HIS 36 Ca 0.60 1.49 0.00 0.00 0.25 0.00 0.00 55.06 57.41 2kfw s HIS 36 Cb -0.29 -3.49 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 2kfw s HIS 36 CO 0.25 -1.77 0.00 0.41 -0.65 0.00 0.00 174.74 172.98 2kfw n GLY 37 N 0.56 1.61 2.69 1.59 0.00 -1.26 -3.05 105.19 107.32 2kfw n GLY 37 Ca 0.07 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N 0.00 2.05 0.00 1.61 0.00 -1.22 -4.78 115.29 112.94 2kfw s HIS 38 Ca 0.00 -2.52 0.00 0.00 -3.00 0.00 0.00 55.06 49.54 2kfw s HIS 38 Cb 0.00 -1.84 0.00 0.00 -4.00 0.00 0.00 32.58 26.74 2kfw s HIS 38 CO 0.00 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 173.39 2kfw n GLY 39 N 3.25 -0.17 0.00 -1.38 0.00 -0.90 -4.51 105.19 101.48 2kfw n GLY 39 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kfw n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfw n SER 40 N -2.33 0.00 -4.45 1.61 7.64 -1.26 -4.80 113.62 110.03 2kfw n SER 40 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 2kfw n SER 40 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kfw n LEU 41 N 0.00 -0.37 -4.43 -3.43 4.32 -1.26 -4.74 117.00 107.09 2kfw n LEU 41 Ca 0.00 1.07 -0.45 0.00 -0.02 0.00 0.00 56.01 56.62 2kfw n LEU 41 Cb 0.00 -1.06 -0.01 0.00 -1.62 0.00 0.00 43.42 40.72 2kfw n LEU 41 CO 0.00 -2.66 0.04 2.30 -1.22 0.00 0.00 177.39 175.84 2kfw n ILE 42 N -0.20 1.69 -0.17 -0.08 -5.35 -1.26 -4.66 119.36 109.32 2kfw n ILE 42 Ca 0.14 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 62.07 2kfw n ILE 42 Cb 0.31 -0.32 0.04 0.00 -1.74 0.00 0.00 39.64 37.93 2kfw n ILE 42 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kfw h SER 43 N 1.00 0.46 -1.39 7.28 0.87 -1.85 -1.23 113.55 118.68 2kfw h SER 43 Ca -0.35 0.01 0.42 0.00 -1.23 0.00 0.00 61.79 60.65 2kfw h SER 43 Cb 1.41 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 63.19 2kfw h SER 43 CO 0.54 0.32 0.94 1.23 -0.53 0.00 0.00 176.83 179.34 2kfw h GLY 44 N 0.58 0.81 0.97 5.77 0.00 -1.87 0.49 103.07 109.82 2kfw h GLY 44 Ca 0.22 -0.08 -0.31 0.00 0.00 0.00 0.00 47.33 47.15 2kfw h GLY 44 CO -0.12 -0.21 -1.47 -2.00 0.00 0.00 0.00 176.54 172.74 2kfw h LEU 45 N 0.10 0.66 0.78 3.11 6.46 -1.50 -3.05 115.31 121.87 2kfw h LEU 45 Ca 0.77 -0.92 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 2kfw h LEU 45 Cb 2.62 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 42.34 2kfw h LEU 45 CO -0.25 1.68 -0.38 -0.33 -0.62 0.00 0.00 178.44 178.55 2kfw h GLU 46 N 0.00 -1.01 -0.93 1.25 5.08 0.29 -1.59 114.58 117.68 2kfw h GLU 46 Ca -0.28 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2kfw h GLU 46 Cb 2.02 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 31.43 2kfw h GLU 46 CO 0.20 -0.67 0.57 0.00 -1.00 0.00 0.00 179.01 178.11 2kfw h THR 47 N -1.06 0.95 0.00 1.13 1.03 -1.25 0.11 112.91 113.83 2kfw h THR 47 Ca -0.11 -0.33 -0.02 0.00 -0.01 0.00 0.00 66.41 65.95 2kfw h THR 47 Cb 0.81 -0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.80 2kfw h THR 47 CO 0.18 0.17 -0.08 0.00 -0.01 0.00 0.00 175.52 175.78 2kfw h ALA 48 N 1.49 1.26 0.00 0.00 0.00 -1.38 -2.00 119.26 118.62 2kfw h ALA 48 Ca 0.44 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 2kfw h ALA 48 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kfw h ALA 48 CO -0.24 0.10 -0.66 -0.07 0.00 0.00 0.00 179.25 178.38 2kfw h LEU 49 N 0.00 0.00 -9.41 0.00 3.38 0.24 -3.46 115.31 106.06 2kfw h LEU 49 Ca -0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2kfw h LEU 49 Cb 0.26 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.07 2kfw h LEU 49 CO 0.01 0.66 0.55 1.21 0.09 0.00 0.00 178.44 180.96 2kfw n GLU 50 N -3.27 1.60 -2.30 1.13 0.00 -0.75 -3.79 120.64 113.26 2kfw n GLU 50 Ca 0.01 0.58 -0.01 0.00 0.00 0.00 0.00 57.16 57.74 2kfw n GLU 50 Cb 0.80 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 30.01 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kfw n GLY 51 N 2.65 -3.27 0.00 8.31 0.00 -0.84 -4.91 105.19 107.13 2kfw n GLY 51 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2kfw n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 52 N 0.29 0.00 0.00 1.61 8.25 -1.25 -4.95 115.22 119.18 2kfw n HIS 52 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2kfw n HIS 52 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2kfw n HIS 52 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2kfw n GLU 53 N -0.11 0.00 -2.85 -0.41 1.02 -1.26 -5.01 120.64 112.03 2kfw n GLU 53 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2kfw n GLU 53 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kfw s VAL 54 N -1.35 4.78 0.00 2.62 1.01 -1.26 -3.25 120.40 122.95 2kfw s VAL 54 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 2kfw s VAL 54 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2kfw s VAL 54 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 2kfw n GLY 55 N 3.80 0.68 3.89 4.51 0.00 0.72 -4.92 105.19 113.88 2kfw n GLY 55 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -2.71 6.29 -0.09 1.61 2.15 -1.20 -4.88 116.67 117.85 2kfw s ASP 56 Ca 0.00 0.32 -0.04 0.00 0.43 0.00 0.00 52.55 53.26 2kfw s ASP 56 Cb 0.00 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 2kfw s ASP 56 CO 0.00 0.26 0.06 -0.75 -0.17 0.00 0.00 175.17 174.57 2kfw s LYS 57 N -1.95 3.15 0.03 4.34 2.20 -1.26 -2.38 119.74 123.87 2kfw s LYS 57 Ca 0.27 -0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.46 2kfw s LYS 57 Cb -0.13 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2kfw s LYS 57 CO 0.19 0.73 0.22 0.12 -0.36 0.00 0.00 175.35 176.24 2kfw s PHE 58 N -0.97 -0.00 -0.15 4.03 5.36 0.25 -4.97 117.98 121.53 2kfw s PHE 58 Ca 0.15 -0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 55.93 2kfw s PHE 58 Cb -0.12 0.00 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 2kfw s PHE 58 CO 0.04 -0.41 0.02 -0.51 -1.46 0.00 0.00 175.22 172.90 2kfw s ASP 59 N -1.86 5.31 -0.04 6.13 1.01 -1.26 0.12 116.67 126.07 2kfw s ASP 59 Ca -0.08 0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.23 2kfw s ASP 59 Cb -0.03 -1.81 0.02 0.00 1.01 0.00 0.00 42.92 42.11 2kfw s ASP 59 CO -0.02 0.22 -0.05 -0.69 0.21 0.00 0.00 175.17 174.84 2kfw s VAL 60 N 0.06 0.57 -0.21 -1.27 1.01 -1.02 -4.95 120.40 114.58 2kfw s VAL 60 Ca 0.03 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2kfw s VAL 60 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2kfw s VAL 60 CO 0.02 0.23 0.50 0.00 0.00 0.00 0.00 175.10 175.84 2kfw s ALA 61 N 0.79 3.55 -0.28 5.51 0.00 -1.26 -3.59 121.76 126.48 2kfw s ALA 61 Ca -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2kfw s ALA 61 Cb -0.14 -2.80 0.17 0.00 0.00 0.00 0.00 23.12 20.35 2kfw s ALA 61 CO 0.01 -0.48 0.53 0.08 0.00 0.00 0.00 175.76 175.89 2kfw s VAL 62 N 1.73 -0.87 0.00 0.00 1.01 -1.04 -4.98 120.40 116.24 2kfw s VAL 62 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2kfw s VAL 62 Cb -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2kfw s VAL 62 CO 0.09 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2kfw n GLY 63 N 5.41 -0.93 0.16 4.51 0.00 -1.26 -4.33 105.19 108.75 2kfw n GLY 63 Ca -0.01 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.31 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw h ALA 64 N 0.42 0.78 0.00 4.61 0.00 -1.68 0.37 119.26 123.76 2kfw h ALA 64 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2kfw h ALA 64 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kfw h ALA 64 CO 0.00 0.50 -0.06 -0.97 0.00 0.00 0.00 179.25 178.73 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -0.00 -1.91 1.76 115.58 115.43 2kfw h ASN 65 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2kfw h ASN 65 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2kfw h ASN 65 CO 0.05 0.06 0.00 0.47 -0.00 0.00 0.00 177.43 178.01 2kfw n ASP 66 N -3.13 0.00 0.00 1.15 8.00 -1.18 -4.80 116.55 116.59 2kfw n ASP 66 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2kfw n ASP 66 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n ALA 67 N 0.00 0.00 -0.07 2.24 0.00 -0.20 -3.39 120.51 119.09 2kfw n ALA 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2kfw n ALA 67 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N -0.44 0.00 -0.03 0.00 4.01 -0.05 -4.72 117.16 115.93 2kfw n TYR 68 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2kfw n TYR 68 Cb 0.00 -0.51 -0.10 0.00 -0.31 0.00 0.00 39.34 38.42 2kfw n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2kfw h GLY 69 N 1.05 -0.05 -5.48 2.72 0.00 -1.41 -3.48 103.07 96.43 2kfw h GLY 69 Ca -0.30 0.02 -0.35 0.00 0.00 0.00 0.00 47.33 46.70 2kfw h GLY 69 CO -0.04 -0.02 -0.67 -1.06 0.00 0.00 0.00 176.54 174.75 2kfw n GLN 70 N -4.75 -6.98 -1.43 4.80 6.02 -0.48 -4.68 117.38 109.88 2kfw n GLN 70 Ca -0.08 0.78 -0.44 0.00 -0.01 0.00 0.00 57.00 57.25 2kfw n GLN 70 Cb 0.34 -5.66 -0.01 0.00 1.02 0.00 0.00 30.24 25.93 2kfw n GLN 70 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2kfw n TYR 71 N -4.49 -0.53 -3.14 1.08 9.36 0.59 -4.85 117.16 115.17 2kfw n TYR 71 Ca -0.10 0.74 -0.45 0.00 3.32 0.00 0.00 57.90 61.41 2kfw n TYR 71 Cb 0.60 -1.98 -0.02 0.00 -0.63 0.00 0.00 39.34 37.31 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kfw s ASP 72 N -0.91 6.82 0.11 2.98 1.01 -1.26 -4.84 116.67 120.57 2kfw s ASP 72 Ca 0.62 -2.60 0.13 0.00 0.71 0.00 0.00 52.55 51.41 2kfw s ASP 72 Cb -0.73 -2.30 0.59 0.00 1.01 0.00 0.00 42.92 41.49 2kfw s ASP 72 CO 0.59 -0.74 1.40 1.21 0.21 0.00 0.00 175.17 177.84 2kfw n GLU 73 N 4.95 0.06 -0.00 8.23 2.13 -1.26 -1.41 120.64 133.34 2kfw n GLU 73 Ca 0.21 0.43 0.14 0.00 0.66 0.00 0.00 57.16 58.61 2kfw n GLU 73 Cb 0.46 -1.65 0.72 0.00 0.27 0.00 0.00 31.44 31.25 2kfw n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kfw n ASN 74 N -1.77 0.68 -0.00 4.31 4.13 -1.26 -3.46 115.26 117.88 2kfw n ASN 74 Ca 0.01 -1.26 0.05 0.00 1.68 0.00 0.00 54.58 55.06 2kfw n ASN 74 Cb 0.11 -0.01 -0.07 0.00 -1.54 0.00 0.00 39.78 38.27 2kfw n ASN 74 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2kfw n LEU 75 N -0.45 0.26 -4.66 3.41 7.94 -0.50 -4.95 117.00 118.05 2kfw n LEU 75 Ca 0.21 -0.28 -0.39 0.00 -1.11 0.00 0.00 56.01 54.43 2kfw n LEU 75 Cb 0.21 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.10 2kfw n LEU 75 CO 0.17 0.07 0.26 0.68 -1.11 0.00 0.00 177.39 177.45 2kfw s VAL 76 N -2.27 5.09 -0.03 1.96 -7.23 -1.22 -4.59 120.40 112.11 2kfw s VAL 76 Ca 0.00 0.98 -0.01 0.00 -1.81 0.00 0.00 61.98 61.15 2kfw s VAL 76 Cb 0.07 -3.85 0.03 0.00 0.56 0.00 0.00 36.38 33.19 2kfw s VAL 76 CO 0.41 0.16 0.05 -1.58 -0.31 0.00 0.00 175.10 173.83 2kfw s GLN 77 N 1.71 -0.04 -0.26 4.82 0.74 -0.94 -5.02 119.66 120.67 2kfw s GLN 77 Ca 0.25 0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.85 2kfw s GLN 77 Cb -0.15 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.60 2kfw s GLN 77 CO 0.10 -0.22 0.09 1.03 -0.55 0.00 0.00 175.29 175.74 2kfw s ARG 78 N 1.47 3.64 -0.03 1.67 0.52 -1.26 -2.18 118.95 122.78 2kfw s ARG 78 Ca -0.04 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2kfw s ARG 78 Cb -0.13 -3.39 0.02 0.00 0.52 0.00 0.00 34.95 31.97 2kfw s ARG 78 CO -0.03 -0.22 0.23 0.14 0.02 0.00 0.00 175.30 175.44 2kfw s VAL 79 N 1.63 0.05 0.80 3.52 -7.23 -0.59 -4.82 120.40 113.76 2kfw s VAL 79 Ca 0.06 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.69 2kfw s VAL 79 Cb -0.15 -0.48 0.07 0.00 0.56 0.00 0.00 36.38 36.38 2kfw s VAL 79 CO 0.05 -0.23 1.09 -2.16 -0.31 0.00 0.00 175.10 173.53 2kfw s PRO 80 N -0.95 2.06 0.00 4.82 0.04 -1.26 -0.14 135.00 139.57 2kfw s PRO 80 Ca -0.10 0.80 0.18 0.00 0.04 0.00 0.00 61.00 61.91 2kfw s PRO 80 Cb -0.05 -1.90 0.98 0.00 0.04 0.00 0.00 34.50 33.57 2kfw s PRO 80 CO 0.02 -1.67 1.51 0.36 0.04 0.00 0.00 177.00 177.25 2kfw n LYS 81 N -3.49 0.40 0.31 4.56 2.85 -1.26 -3.19 118.16 118.34 2kfw n LYS 81 Ca 0.07 0.06 0.19 0.00 -1.05 0.00 0.00 58.31 57.58 2kfw n LYS 81 Cb 0.55 -1.50 0.99 0.00 -0.65 0.00 0.00 35.03 34.42 2kfw n LYS 81 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2kfw h ASP 82 N 0.00 0.00 0.05 -5.58 5.19 -1.97 0.29 116.42 114.40 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kfw h ASP 82 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2kfw h ASP 82 CO 0.00 0.00 -0.29 0.55 -3.12 0.00 0.00 179.24 176.38 2kfw n VAL 83 N -2.88 0.00 -3.18 -1.35 3.14 -1.19 -4.88 118.33 107.98 2kfw n VAL 83 Ca -0.02 -0.26 0.05 0.00 -2.96 0.00 0.00 64.34 61.14 2kfw n VAL 83 Cb 0.18 0.98 -0.03 0.00 -1.06 0.00 0.00 33.84 33.91 2kfw n VAL 83 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 2kfw s PHE 84 N -2.36 -0.18 0.00 1.45 -0.71 0.10 -5.05 117.98 111.23 2kfw s PHE 84 Ca 0.24 0.25 0.06 0.00 -1.04 0.00 0.00 56.93 56.44 2kfw s PHE 84 Cb 0.19 0.09 0.09 0.00 -1.21 0.00 0.00 43.02 42.18 2kfw s PHE 84 CO 0.49 -0.10 1.01 -1.33 -1.34 0.00 0.00 175.22 173.96 2kfw n MET 85 N 5.04 0.00 -2.69 1.99 2.81 -1.23 -4.65 117.12 118.39 2kfw n MET 85 Ca -0.08 -1.16 -0.07 0.00 -1.81 0.00 0.00 57.70 54.57 2kfw n MET 85 Cb 0.55 -0.35 0.04 0.00 -0.71 0.00 0.00 33.22 32.75 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfw n GLY 86 N 0.11 1.54 1.70 3.03 0.00 -1.26 -4.90 105.19 105.41 2kfw n GLY 86 Ca 0.01 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2kfw n GLY 86 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kfw n VAL 87 N -0.21 2.30 -0.80 1.61 0.31 -1.26 -4.78 118.33 115.51 2kfw n VAL 87 Ca 0.07 -1.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.24 2kfw n VAL 87 Cb 0.82 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kfw n ASP 88 N -0.20 -0.48 0.00 4.52 -0.08 -1.26 -4.78 116.55 114.27 2kfw n ASP 88 Ca 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2kfw n ASP 88 Cb 0.98 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 43.22 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kfw n GLU 89 N -1.91 0.00 -3.60 -0.67 1.02 -1.26 -5.12 120.64 109.09 2kfw n GLU 89 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2kfw n GLU 89 Cb 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.35 2kfw n GLU 89 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kfw s LEU 90 N 0.00 5.14 0.03 -4.62 2.01 -1.26 -5.03 118.68 114.95 2kfw s LEU 90 Ca 0.00 -1.49 -0.10 0.00 0.01 0.00 0.00 54.13 52.55 2kfw s LEU 90 Cb 0.00 -1.99 0.01 0.00 0.01 0.00 0.00 46.19 44.22 2kfw s LEU 90 CO 0.00 -0.53 0.21 -1.58 1.01 0.00 0.00 176.35 175.46 2kfw s GLN 91 N 1.43 0.69 0.31 1.70 0.74 -1.26 -5.11 119.66 118.16 2kfw s GLN 91 Ca 0.03 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.57 2kfw s GLN 91 Cb -0.23 0.29 -0.10 0.00 1.10 0.00 0.00 33.01 34.07 2kfw s GLN 91 CO 0.02 -0.20 1.43 0.08 -0.55 0.00 0.00 175.29 176.07 2kfw s VAL 92 N -2.42 2.47 0.00 1.34 1.01 -1.26 -2.51 120.40 119.02 2kfw s VAL 92 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2kfw s VAL 92 Cb -0.02 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2kfw s VAL 92 CO -0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2kfw n GLY 93 N 1.33 3.01 3.31 4.51 0.00 0.64 -4.90 105.19 113.08 2kfw n GLY 93 Ca 0.03 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kfw n MET 94 N 0.00 0.09 -3.60 1.61 0.00 -1.05 -4.37 117.12 109.80 2kfw n MET 94 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 57.70 57.39 2kfw n MET 94 Cb 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 33.22 31.66 2kfw n MET 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2kfw s ARG 95 N -2.36 4.16 0.33 2.12 0.52 -1.26 -2.21 118.95 120.25 2kfw s ARG 95 Ca 0.57 -0.09 0.10 0.00 -0.52 0.00 0.00 55.73 55.78 2kfw s ARG 95 Cb -0.32 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 2kfw s ARG 95 CO 0.67 0.14 -0.07 0.12 0.02 0.00 0.00 175.30 176.18 2kfw s PHE 96 N 0.79 2.44 -0.25 -0.53 2.19 0.13 -4.96 117.98 117.80 2kfw s PHE 96 Ca 0.12 -0.45 0.02 0.00 0.33 0.00 0.00 56.93 56.95 2kfw s PHE 96 Cb -0.13 -1.36 0.06 0.00 -1.31 0.00 0.00 43.02 40.28 2kfw s PHE 96 CO 0.03 0.57 -0.09 -0.51 1.83 0.00 0.00 175.22 177.05 2kfw s LEU 97 N -3.63 3.06 -0.17 6.12 1.02 -1.26 0.03 118.68 123.84 2kfw s LEU 97 Ca 0.33 -1.28 -0.07 0.00 0.02 0.00 0.00 54.13 53.12 2kfw s LEU 97 Cb 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 2kfw s LEU 97 CO 0.17 -0.20 0.06 0.00 0.02 0.00 0.00 176.35 176.40 2kfw s ALA 98 N 1.22 3.44 -1.11 4.21 0.00 0.56 -4.94 121.76 125.15 2kfw s ALA 98 Ca -0.07 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 2kfw s ALA 98 Cb -0.19 -1.89 0.27 0.00 0.00 0.00 0.00 23.12 21.31 2kfw s ALA 98 CO -0.06 0.25 1.11 -2.00 0.00 0.00 0.00 175.76 175.07 2kfw s GLU 99 N 0.14 4.18 0.97 0.00 2.12 -1.26 0.16 118.70 125.01 2kfw s GLU 99 Ca 0.05 -3.18 -0.14 0.00 0.36 0.00 0.00 54.97 52.05 2kfw s GLU 99 Cb -0.12 -4.57 0.18 0.00 0.26 0.00 0.00 34.13 29.88 2kfw s GLU 99 CO 0.01 -1.26 1.18 0.95 -0.54 0.00 0.00 175.26 175.60 2kfw s THR 100 N -1.14 1.92 0.48 -1.70 -4.23 -0.21 -4.83 115.64 105.93 2kfw s THR 100 Ca 0.31 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.98 2kfw s THR 100 Cb -0.10 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.28 2kfw s THR 100 CO -0.08 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.50 2kfw h ASP 101 N -1.72 0.17 0.31 3.99 3.32 -2.02 0.26 116.42 120.74 2kfw h ASP 101 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2kfw h ASP 101 Cb 1.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2kfw h ASP 101 CO 0.51 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 2kfw n GLN 102 N -4.47 0.06 0.00 3.56 6.02 -1.26 -4.95 117.38 116.33 2kfw n GLN 102 Ca 0.04 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2kfw n GLN 102 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfw n GLY 103 N -0.36 0.60 3.65 1.08 0.00 0.92 -4.99 105.19 106.08 2kfw n GLY 103 Ca 0.04 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -0.27 4.06 -0.26 1.61 0.04 -1.26 -1.05 135.00 137.88 2kfw s PRO 104 Ca 0.00 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2kfw s PRO 104 Cb 0.00 -3.88 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2kfw s PRO 104 CO 0.00 -0.95 -0.10 0.08 0.04 0.00 0.00 177.00 176.07 2kfw s VAL 105 N 4.14 2.12 0.04 -0.36 1.01 0.41 -4.92 120.40 122.84 2kfw s VAL 105 Ca 0.61 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2kfw s VAL 105 Cb -0.23 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2kfw s VAL 105 CO 0.22 -0.04 1.25 -2.16 0.00 0.00 0.00 175.10 174.37 2kfw s PRO 106 N 1.12 4.38 0.39 2.72 0.04 -1.26 -0.33 135.00 142.07 2kfw s PRO 106 Ca -0.09 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2kfw s PRO 106 Cb -0.20 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 2kfw s PRO 106 CO -0.05 -0.35 0.04 0.14 0.04 0.00 0.00 177.00 176.82 2kfw s VAL 107 N 1.44 1.37 -0.26 -0.36 -7.23 0.10 -4.88 120.40 110.59 2kfw s VAL 107 Ca 0.60 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2kfw s VAL 107 Cb -0.30 -2.72 0.14 0.00 0.56 0.00 0.00 36.38 34.07 2kfw s VAL 107 CO 0.28 0.00 0.40 -0.70 -0.31 0.00 0.00 175.10 174.77 2kfw s GLU 108 N -3.81 0.38 0.17 4.82 2.12 -1.20 0.19 118.70 121.37 2kfw s GLU 108 Ca 0.30 0.47 -0.33 0.00 0.36 0.00 0.00 54.97 55.78 2kfw s GLU 108 Cb 0.07 -0.37 -0.16 0.00 0.26 0.00 0.00 34.13 33.94 2kfw s GLU 108 CO 0.14 -0.73 1.16 0.44 -0.54 0.00 0.00 175.26 175.74 2kfw n ILE 109 N 5.37 0.89 0.01 -3.70 -0.00 -0.94 -2.18 119.36 118.81 2kfw n ILE 109 Ca -0.02 -0.22 0.01 0.00 -0.00 0.00 0.00 62.75 62.51 2kfw n ILE 109 Cb 0.50 -0.85 -0.02 0.00 -0.00 0.00 0.00 39.64 39.28 2kfw n ILE 109 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2kfw n THR 110 N 1.49 0.00 0.00 7.28 5.66 -0.59 0.23 114.28 128.35 2kfw n THR 110 Ca 0.15 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2kfw n THR 110 Cb 0.25 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw n ALA 111 N -1.52 0.00 -1.76 1.79 0.00 -1.24 -4.67 120.51 113.12 2kfw n ALA 111 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 2kfw n ALA 111 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.52 2kfw n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kfw s VAL 112 N 0.00 2.62 0.05 0.00 0.11 -1.26 -3.04 120.40 118.88 2kfw s VAL 112 Ca 0.00 0.45 0.01 0.00 -2.93 0.00 0.00 61.98 59.51 2kfw s VAL 112 Cb 0.00 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 2kfw s VAL 112 CO 0.00 -0.02 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.00 2kfw s GLU 113 N -2.86 0.57 0.86 1.54 2.12 -0.99 -4.84 118.70 115.10 2kfw s GLU 113 Ca 0.68 -0.94 -0.15 0.00 0.36 0.00 0.00 54.97 54.92 2kfw s GLU 113 Cb -0.34 -0.10 -0.06 0.00 0.26 0.00 0.00 34.13 33.90 2kfw s GLU 113 CO 0.40 -0.02 0.02 -3.47 -0.54 0.00 0.00 175.26 171.66 2kfw n ASP 114 N 0.90 -3.18 0.00 -1.70 -0.08 -1.26 -2.10 116.55 109.12 2kfw n ASP 114 Ca -0.19 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2kfw n ASP 114 Cb 0.57 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.99 2kfw n ASP 114 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kfw n ASP 115 N 0.79 0.00 -3.72 1.67 8.00 -1.26 -4.76 116.55 117.27 2kfw n ASP 115 Ca 0.05 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 2kfw n ASP 115 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2kfw s HIS 116 N 0.00 -0.17 0.79 1.24 -3.43 -0.89 -4.41 115.29 108.41 2kfw s HIS 116 Ca 0.00 -0.17 -0.09 0.00 -0.80 0.00 0.00 55.06 54.00 2kfw s HIS 116 Cb 0.00 0.46 0.11 0.00 -1.43 0.00 0.00 32.58 31.72 2kfw s HIS 116 CO 0.00 -0.96 1.11 0.08 -2.00 0.00 0.00 174.74 172.97 2kfw s VAL 117 N -3.87 2.14 -0.15 -5.38 1.01 0.80 -2.35 120.40 112.61 2kfw s VAL 117 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2kfw s VAL 117 Cb -0.02 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2kfw s VAL 117 CO -0.02 0.00 -0.17 -0.69 0.00 0.00 0.00 175.10 174.22 2kfw s VAL 118 N -3.44 1.73 -0.03 2.92 1.01 -1.17 -1.54 120.40 119.88 2kfw s VAL 118 Ca 0.65 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2kfw s VAL 118 Cb -0.08 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2kfw s VAL 118 CO 0.47 0.49 -0.25 0.54 0.00 0.00 0.00 175.10 176.34 2kfw s VAL 119 N 1.30 2.08 0.15 2.92 0.11 -0.93 -1.55 120.40 124.49 2kfw s VAL 119 Ca 0.02 -1.09 -0.25 0.00 -2.93 0.00 0.00 61.98 57.74 2kfw s VAL 119 Cb -0.13 -1.72 0.07 0.00 -1.53 0.00 0.00 36.38 33.06 2kfw s VAL 119 CO -0.09 0.58 1.00 -0.62 -3.33 0.00 0.00 175.10 172.64 2kfw s ASP 120 N -0.50 -0.13 0.00 3.54 -1.08 -0.93 -2.20 116.67 115.37 2kfw s ASP 120 Ca 0.07 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 2kfw s ASP 120 Cb -0.11 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 2kfw s ASP 120 CO 0.00 -0.88 0.00 0.61 0.52 0.00 0.00 175.17 175.42 2kfw n GLY 121 N -0.52 0.80 3.38 2.66 0.00 -1.26 -3.25 105.19 107.00 2kfw n GLY 121 Ca -0.06 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2kfw n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 122 N -1.00 3.91 0.00 1.61 0.01 -1.26 -4.99 114.94 113.22 2kfw s ASN 122 Ca 0.00 -0.32 0.21 0.00 -0.71 0.00 0.00 52.86 52.03 2kfw s ASN 122 Cb 0.00 -1.39 0.09 0.00 0.41 0.00 0.00 41.25 40.36 2kfw s ASN 122 CO 0.00 0.21 1.09 0.00 -1.51 0.00 0.00 177.10 176.89 2kfw n HIS 123 N 3.23 0.00 -0.36 2.20 1.44 -1.26 -4.45 115.22 116.01 2kfw n HIS 123 Ca -0.18 0.00 0.33 0.00 -2.01 0.00 0.00 57.72 55.86 2kfw n HIS 123 Cb 0.53 0.00 0.68 0.00 0.12 0.00 0.00 29.99 31.31 2kfw n HIS 123 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2kfw h MET 124 N 3.30 0.12 -0.02 -1.40 2.86 -2.00 1.03 114.93 118.82 2kfw h MET 124 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kfw h MET 124 Cb 0.79 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2kfw h MET 124 CO 0.00 0.08 -0.36 1.47 1.06 0.00 0.00 176.91 179.16 2kfw n LEU 125 N -4.34 2.27 0.00 1.22 -0.00 -1.26 -4.98 117.00 109.90 2kfw n LEU 125 Ca 0.28 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.48 2kfw n LEU 125 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.63 2kfw n LEU 125 CO 0.34 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 178.14 2kfw n ALA 126 N 0.32 0.00 -1.62 1.47 0.00 0.36 -4.78 120.51 116.25 2kfw n ALA 126 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 2kfw n ALA 126 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2kfw n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfw n GLY 127 N 2.52 1.40 3.03 0.00 0.00 -1.26 -4.84 105.19 106.04 2kfw n GLY 127 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2kfw n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfw n GLN 128 N -2.52 3.54 -2.32 1.61 7.27 -1.26 -4.78 117.38 118.91 2kfw n GLN 128 Ca -0.18 -3.60 -0.43 0.00 0.07 0.00 0.00 57.00 52.87 2kfw n GLN 128 Cb 0.58 -2.97 -0.02 0.00 2.41 0.00 0.00 30.24 30.24 2kfw n GLN 128 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kfw s ASN 129 N 1.47 6.88 0.15 1.69 4.22 -1.26 -1.89 114.94 126.19 2kfw s ASN 129 Ca 0.41 1.83 0.05 0.00 -2.14 0.00 0.00 52.86 53.01 2kfw s ASN 129 Cb 0.06 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 40.02 2kfw s ASN 129 CO 0.00 -0.80 0.07 -0.76 -2.04 0.00 0.00 177.10 173.58 2kfw s LEU 130 N 3.60 3.63 -0.12 3.54 1.02 -1.26 -4.69 118.68 124.39 2kfw s LEU 130 Ca 0.59 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.57 2kfw s LEU 130 Cb -0.25 -2.28 -0.01 0.00 0.02 0.00 0.00 46.19 43.68 2kfw s LEU 130 CO 0.18 0.10 -0.17 -1.59 0.02 0.00 0.00 176.35 174.90 2kfw s LYS 131 N -2.86 3.24 -0.05 1.70 -2.85 -1.18 -2.49 119.74 115.25 2kfw s LYS 131 Ca 0.29 -0.75 -0.09 0.00 -1.00 0.00 0.00 55.97 54.42 2kfw s LYS 131 Cb -0.10 -2.51 0.02 0.00 -2.06 0.00 0.00 37.83 33.17 2kfw s LYS 131 CO 0.21 0.22 0.23 -0.59 0.10 0.00 0.00 175.35 175.52 2kfw s PHE 132 N 0.31 -0.16 0.07 1.78 -0.12 -1.24 -1.55 117.98 117.07 2kfw s PHE 132 Ca -0.13 0.34 -0.14 0.00 -0.05 0.00 0.00 56.93 56.95 2kfw s PHE 132 Cb -0.16 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.22 2kfw s PHE 132 CO 0.07 -0.23 0.47 -0.80 -0.05 0.00 0.00 175.22 174.68 2kfw s ASN 133 N -0.61 6.80 0.10 1.98 0.01 -0.40 -2.45 114.94 120.37 2kfw s ASN 133 Ca -0.07 0.99 0.08 0.00 -0.71 0.00 0.00 52.86 53.15 2kfw s ASN 133 Cb -0.04 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2kfw s ASN 133 CO 0.02 0.21 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.92 2kfw s VAL 134 N -1.28 1.74 -0.14 1.60 1.01 0.32 -1.74 120.40 121.91 2kfw s VAL 134 Ca 0.31 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 2kfw s VAL 134 Cb -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2kfw s VAL 134 CO 0.17 -0.04 0.08 -1.61 0.00 0.00 0.00 175.10 173.70 2kfw s GLU 135 N -1.87 0.08 0.20 2.72 2.02 -0.27 0.86 118.70 122.43 2kfw s GLU 135 Ca 0.07 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 2kfw s GLU 135 Cb -0.10 -1.56 -0.08 0.00 0.10 0.00 0.00 34.13 32.49 2kfw s GLU 135 CO 0.04 -0.59 1.10 0.08 0.02 0.00 0.00 175.26 175.91 2kfw s VAL 136 N 2.13 3.77 -0.10 2.63 1.01 -1.00 -2.54 120.40 126.30 2kfw s VAL 136 Ca 0.03 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.63 2kfw s VAL 136 Cb -0.15 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2kfw s VAL 136 CO -0.08 0.30 -0.04 0.52 0.00 0.00 0.00 175.10 175.81 2kfw n VAL 137 N 2.08 0.60 -3.78 2.92 0.31 -0.05 0.26 118.33 120.66 2kfw n VAL 137 Ca 0.02 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 2kfw n VAL 137 Cb 0.46 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 -0.52 -0.27 3.52 0.00 -1.25 -4.29 121.76 116.74 2kfw s ALA 138 Ca -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2kfw s ALA 138 Cb 0.03 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.94 2kfw s ALA 138 CO 0.29 -0.62 0.20 0.42 0.00 0.00 0.00 175.76 176.05 2kfw s ILE 139 N -3.86 -0.23 0.12 0.00 1.01 -1.26 -3.69 121.20 113.29 2kfw s ILE 139 Ca 0.07 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2kfw s ILE 139 Cb 0.03 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2kfw s ILE 139 CO -0.08 -0.53 -0.10 -0.13 0.00 0.00 0.00 174.94 174.11 2kfw s ARG 140 N 2.23 0.96 0.09 2.79 0.52 -0.23 -4.96 118.95 120.36 2kfw s ARG 140 Ca 0.08 -1.35 -0.08 0.00 -0.52 0.00 0.00 55.73 53.86 2kfw s ARG 140 Cb -0.15 -0.53 -0.06 0.00 0.52 0.00 0.00 34.95 34.73 2kfw s ARG 140 CO -0.30 0.06 0.38 -1.83 0.02 0.00 0.00 175.30 173.63 2kfw s GLU 141 N -3.49 3.70 0.37 3.54 -1.05 -1.26 0.24 118.70 120.75 2kfw s GLU 141 Ca 0.13 0.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.99 2kfw s GLU 141 Cb 0.01 -2.96 -0.04 0.00 -0.44 0.00 0.00 34.13 30.70 2kfw s GLU 141 CO -0.01 0.54 0.62 0.00 0.95 0.00 0.00 175.26 177.37 2kfw s ALA 142 N -1.46 3.58 1.09 -0.84 0.00 -1.26 -4.78 121.76 118.08 2kfw s ALA 142 Ca 0.35 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 2kfw s ALA 142 Cb -0.13 -2.33 0.16 0.00 0.00 0.00 0.00 23.12 20.82 2kfw s ALA 142 CO 0.20 -0.02 0.68 2.41 0.00 0.00 0.00 175.76 179.03 2kfw n THR 143 N -1.61 0.00 -0.15 0.00 -1.04 -1.26 -4.60 114.28 105.62 2kfw n THR 143 Ca -0.02 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.05 61.54 2kfw n THR 143 Cb 0.55 -1.37 0.03 0.00 -1.82 0.00 0.00 70.33 67.72 2kfw n THR 143 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kfw h GLU 144 N 0.00 0.54 -0.14 -2.82 3.07 -1.98 -1.13 114.58 112.11 2kfw h GLU 144 Ca -0.24 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.44 2kfw h GLU 144 Cb 0.71 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2kfw h GLU 144 CO 0.16 0.36 -0.55 1.49 -1.40 0.00 0.00 179.01 179.07 2kfw h GLU 145 N 0.56 0.43 -0.55 2.33 4.81 -1.97 -0.92 114.58 119.26 2kfw h GLU 145 Ca 0.19 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2kfw h GLU 145 Cb 0.02 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2kfw h GLU 145 CO -0.09 0.87 0.29 0.93 -0.73 0.00 0.00 179.01 180.28 2kfw h GLU 146 N 0.33 0.78 0.00 1.92 5.08 -1.61 -1.93 114.58 119.14 2kfw h GLU 146 Ca 0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2kfw h GLU 146 Cb 1.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kfw h GLU 146 CO 0.10 0.61 -0.14 1.28 -1.00 0.00 0.00 179.01 179.86 2kfw n LEU 147 N -4.60 0.62 0.06 1.33 4.32 -0.48 0.71 117.00 118.97 2kfw n LEU 147 Ca 0.03 0.47 -0.12 0.00 -0.02 0.00 0.00 56.01 56.37 2kfw n LEU 147 Cb 0.10 -0.32 -0.08 0.00 -1.62 0.00 0.00 43.42 41.49 2kfw n LEU 147 CO 0.37 -0.11 0.47 0.00 -1.22 0.00 0.00 177.39 176.90 2kfw h ALA 148 N 2.64 -0.21 -0.01 -1.18 0.00 -0.39 -3.23 119.26 116.87 2kfw h ALA 148 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kfw h ALA 148 Cb 0.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kfw h ALA 148 CO 0.00 -0.34 -0.17 0.72 0.00 0.00 0.00 179.25 179.47 2kfw n HIS 149 N -4.94 0.00 -2.62 0.00 8.25 -0.99 -4.93 115.22 109.99 2kfw n HIS 149 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 2kfw n HIS 149 Cb 0.27 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.32 2kfw n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 150 N 1.29 0.42 3.14 -1.41 0.00 -0.79 -5.06 105.19 102.78 2kfw n GLY 150 Ca 0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 150 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 151 N -3.09 0.78 -0.12 1.61 3.76 0.22 -4.72 115.29 113.73 2kfw s HIS 151 Ca 0.09 -1.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.01 2kfw s HIS 151 Cb -0.04 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.18 2kfw s HIS 151 CO 0.19 -0.28 -0.20 0.54 -0.85 0.00 0.00 174.74 174.15 2kfw s VAL 152 N -3.78 1.85 -1.16 -0.90 0.11 -1.26 -4.18 120.40 111.08 2kfw s VAL 152 Ca 0.12 -0.86 -0.27 0.00 -2.93 0.00 0.00 61.98 58.05 2kfw s VAL 152 Cb 0.07 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2kfw s VAL 152 CO -0.05 0.51 0.75 1.41 -3.33 0.00 0.00 175.10 174.38 2kfw n HIS 153 N 4.04 -1.70 0.00 1.54 8.25 -1.26 -4.71 115.22 121.38 2kfw n HIS 153 Ca -0.20 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2kfw n HIS 153 Cb 0.52 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.48 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 154 N -1.86 -2.21 5.38 -1.41 0.00 -1.26 -4.97 105.19 98.86 2kfw n GLY 154 Ca -0.10 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N -0.97 0.00 0.04 4.61 0.00 -1.26 -0.78 120.51 122.14 2kfw n ALA 155 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2kfw n ALA 155 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2kfw n ALA 155 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kfw h HIS 156 N 0.00 0.83 0.00 0.00 2.76 -1.98 -3.12 115.15 113.64 2kfw h HIS 156 Ca 0.00 -0.41 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2kfw h HIS 156 Cb 0.00 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 2kfw h HIS 156 CO 0.00 1.23 -0.02 0.22 -1.30 0.00 0.00 177.93 178.06 2kfw h ASP 157 N 0.36 0.00 -2.74 3.26 1.82 -1.34 -3.43 116.42 114.34 2kfw h ASP 157 Ca -0.08 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 55.98 2kfw h ASP 157 Cb 1.52 0.00 0.17 0.00 0.68 0.00 0.00 39.33 41.70 2kfw h ASP 157 CO 0.17 0.02 -0.52 1.41 -1.61 0.00 0.00 179.24 178.71 2kfw n HIS 158 N -4.36 -1.05 -0.01 0.28 8.25 -1.18 -4.94 115.22 112.21 2kfw n HIS 158 Ca -0.03 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2kfw n HIS 158 Cb 0.11 -1.91 0.00 0.00 1.12 0.00 0.00 29.99 29.31 2kfw n HIS 158 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kfw n HIS 159 N -1.59 -1.42 0.00 4.41 -0.00 -1.26 -4.97 115.22 110.40 2kfw n HIS 159 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2kfw n HIS 159 Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 2kfw n HIS 159 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kfw n HIS 160 N -1.80 -1.41 -2.78 1.57 8.25 -1.26 -5.04 115.22 112.75 2kfw n HIS 160 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2kfw n HIS 160 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2kfw n HIS 160 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2kfw s ASP 161 N -1.99 -1.24 -1.09 0.41 -4.77 -1.26 -4.99 116.67 101.74 2kfw s ASP 161 Ca 0.00 -1.40 -0.11 0.00 -3.30 0.00 0.00 52.55 47.74 2kfw s ASP 161 Cb 0.00 1.62 -0.04 0.00 -1.09 0.00 0.00 42.92 43.41 2kfw s ASP 161 CO 0.00 -0.05 0.87 1.57 0.70 0.00 0.00 175.17 178.26 2kfw n HIS 162 N 3.01 -2.25 0.00 2.11 -0.00 -1.26 -4.92 115.22 111.91 2kfw n HIS 162 Ca 0.16 0.72 0.00 0.00 0.46 0.00 0.00 57.72 59.06 2kfw n HIS 162 Cb 0.58 -3.93 0.00 0.00 -0.12 0.00 0.00 29.99 26.52 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfw n ASP 163 N -3.03 3.77 -4.88 0.26 8.00 -1.26 -5.05 116.55 114.37 2kfw n ASP 163 Ca -0.09 -0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.03 2kfw n ASP 163 Cb 0.61 0.91 0.05 0.00 -0.02 0.00 0.00 41.12 42.68 2kfw n ASP 163 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2kfw s HIS 164 N -1.67 3.25 0.28 1.24 3.76 -1.26 -5.08 115.29 115.81 2kfw s HIS 164 Ca 0.00 1.04 -0.20 0.00 -0.15 0.00 0.00 55.06 55.75 2kfw s HIS 164 Cb 0.00 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.64 2kfw s HIS 164 CO 0.00 -1.28 0.86 0.34 -0.85 0.00 0.00 174.74 173.81 2kfw s ASP 165 N -4.33 -0.09 0.00 1.40 2.15 -1.26 -4.95 116.67 109.59 2kfw s ASP 165 Ca 0.59 -0.78 0.00 0.00 0.43 0.00 0.00 52.55 52.78 2kfw s ASP 165 Cb -0.11 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2kfw s ASP 165 CO 0.52 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.81 2kfw n GLY 166 N -0.54 3.33 3.81 2.66 0.00 -1.26 -5.04 105.19 108.15 2kfw n GLY 166 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2kfw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 169 N 3.94 2.58 0.00 0.00 0.00 -1.26 -5.04 105.19 105.41 2kfw n GLY 169 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2kfw n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 170 N 0.00 0.12 3.46 -0.02 0.00 -1.26 -5.13 105.19 102.37 2kfw n GLY 170 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 2kfw n GLY 170 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 171 N 0.10 -0.46 0.00 1.61 -3.43 -1.26 -4.99 115.29 106.85 2kfw s HIS 171 Ca 0.00 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 2kfw s HIS 171 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 2kfw s HIS 171 CO 0.00 -0.75 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 2kfw n GLY 172 N -0.33 0.88 0.00 -1.38 0.00 -1.26 -5.05 105.19 98.05 2kfw n GLY 172 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kfw n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 173 N 0.00 0.00 -4.93 1.61 -0.00 -1.26 -4.87 115.22 105.76 2kfw n HIS 173 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2kfw n HIS 173 Cb 0.00 -0.34 -0.15 0.00 -0.00 0.00 0.00 29.99 29.50 2kfw n HIS 173 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2kfw s ASP 174 N -2.17 3.04 -0.02 0.41 -1.08 -1.26 -5.13 116.67 110.46 2kfw s ASP 174 Ca 0.00 -0.56 -0.21 0.00 -0.52 0.00 0.00 52.55 51.26 2kfw s ASP 174 Cb 0.00 -0.28 0.04 0.00 -1.46 0.00 0.00 42.92 41.22 2kfw s ASP 174 CO 0.00 0.26 0.45 -1.38 0.52 0.00 0.00 175.17 175.02 2kfw s HIS 175 N -0.77 -0.36 -0.16 -5.34 -3.43 -1.26 -5.04 115.29 98.94 2kfw s HIS 175 Ca 0.11 0.58 -0.02 0.00 -0.80 0.00 0.00 55.06 54.93 2kfw s HIS 175 Cb -0.10 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 2kfw s HIS 175 CO 0.02 -0.48 0.07 0.41 -2.00 0.00 0.00 174.74 172.76 2kfw n GLY 176 N 1.09 -2.84 0.20 -1.38 0.00 -1.26 -5.04 105.19 95.96 2kfw n GLY 176 Ca -0.20 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2kfw n GLY 176 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 177 N 0.13 0.00 -1.90 1.61 -0.00 -1.26 -4.79 115.22 109.01 2kfw n HIS 177 Ca 0.01 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.02 2kfw n HIS 177 Cb 0.06 -0.18 0.07 0.00 -0.12 0.00 0.00 29.99 29.81 2kfw n HIS 177 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kfw n GLU 178 N -3.27 3.10 0.00 1.57 2.13 -1.26 -5.00 120.64 117.90 2kfw n GLU 178 Ca -0.05 -3.93 0.00 0.00 0.66 0.00 0.00 57.16 53.84 2kfw n GLU 178 Cb 0.19 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 29.78 2kfw n GLU 178 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kfw n HIS 179 N -0.82 0.00 0.00 4.31 8.25 -1.26 -4.52 115.22 121.18 2kfw n HIS 179 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 2kfw n HIS 179 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 180 N 0.00 4.73 0.00 -1.41 0.00 -1.26 -5.03 105.19 102.22 2kfw n GLY 180 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N 0.00 -1.47 3.26 -0.02 0.00 -1.26 -4.94 105.19 100.76 2kfw n GLY 181 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2kfw n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfw n GLU 182 N 0.00 -2.22 0.31 1.61 1.02 -1.26 -4.72 120.64 115.38 2kfw n GLU 182 Ca 0.00 -0.64 0.16 0.00 -0.02 0.00 0.00 57.16 56.66 2kfw n GLU 182 Cb 0.00 -1.76 0.79 0.00 -0.02 0.00 0.00 31.44 30.45 2kfw n GLU 182 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kfw h GLY 183 N -2.44 0.00 -3.08 0.62 0.00 -1.92 -3.47 103.07 92.78 2kfw h GLY 183 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kfw h GLY 183 CO 0.36 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 176.11 2kfw n GLY 186 N 5.33 0.18 7.00 0.00 0.00 -1.26 -5.10 105.19 111.34 2kfw n GLY 186 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2kfw n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 187 N 0.29 3.20 3.39 -0.02 0.00 -1.26 -4.74 105.19 106.05 2kfw n GLY 187 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 2kfw n GLY 187 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kfw s LYS 188 N 0.00 1.53 0.00 1.61 2.20 -1.26 -5.04 119.74 118.77 2kfw s LYS 188 Ca 0.00 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 2kfw s LYS 188 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 2kfw s LYS 188 CO 0.00 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 2kfw n GLY 189 N -0.57 0.00 3.01 5.54 0.00 -1.26 -5.16 105.19 106.74 2kfw n GLY 189 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2kfw n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kfw n ASN 190 N 0.00 -3.86 0.00 1.61 3.02 -1.26 -4.18 115.26 110.59 2kfw n ASN 190 Ca 0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2kfw n ASN 190 Cb 0.00 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kfw n GLY 191 N -4.57 2.83 0.00 7.41 0.00 -1.26 -4.76 105.19 104.85 2kfw n GLY 191 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 0.00 -1.11 2.37 -0.02 0.00 -1.26 -5.02 105.19 100.16 2kfw n GLY 192 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N -1.02 -4.52 3.41 0.00 0.00 -1.26 -5.05 105.19 96.75 2kfw n GLY 194 Ca -0.23 1.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.72 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32