#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 0.90 0.40 2.12 -2.85 -1.26 -4.95 119.74 114.10 2kfw s LYS 2 Ca 0.00 -0.53 -0.26 0.00 -1.00 0.00 0.00 55.97 54.17 2kfw s LYS 2 Cb 0.00 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 35.95 2kfw s LYS 2 CO 0.00 -0.42 1.32 1.55 0.10 0.00 0.00 175.35 177.90 2kfw n VAL 3 N -0.59 2.37 -3.86 1.79 3.14 -1.26 -4.89 118.33 115.04 2kfw n VAL 3 Ca -0.05 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.74 2kfw n VAL 3 Cb 0.61 -1.65 -0.05 0.00 -1.06 0.00 0.00 33.84 31.69 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kfw s ALA 4 N -1.16 -0.51 0.94 1.55 0.00 -1.26 -4.10 121.76 117.22 2kfw s ALA 4 Ca 0.59 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2kfw s ALA 4 Cb -0.51 0.89 0.16 0.00 0.00 0.00 0.00 23.12 23.65 2kfw s ALA 4 CO 0.60 -0.76 1.11 0.21 0.00 0.00 0.00 175.76 176.92 2kfw s LYS 5 N -3.93 0.84 -1.90 0.00 2.20 -1.26 -2.55 119.74 113.14 2kfw s LYS 5 Ca 0.14 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2kfw s LYS 5 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2kfw s LYS 5 CO 0.00 -2.67 0.00 -0.25 -0.36 0.00 0.00 175.35 172.07 2kfw n ASP 6 N -4.24 -4.77 -3.82 1.43 9.92 -1.24 -4.89 116.55 108.94 2kfw n ASP 6 Ca 0.09 0.43 -0.27 0.00 -0.53 0.00 0.00 54.79 54.51 2kfw n ASP 6 Cb 0.53 -4.27 -0.17 0.00 -0.64 0.00 0.00 41.12 36.58 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kfw s LEU 7 N -4.44 1.39 0.30 0.64 1.02 -1.06 -3.49 118.68 113.05 2kfw s LEU 7 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.19 2kfw s LEU 7 Cb 0.00 -0.76 -0.11 0.00 0.02 0.00 0.00 46.19 45.35 2kfw s LEU 7 CO 0.00 -0.23 1.46 0.68 0.02 0.00 0.00 176.35 178.28 2kfw s VAL 8 N 1.74 2.42 -0.04 -1.59 -7.23 0.27 -3.60 120.40 112.37 2kfw s VAL 8 Ca 0.00 0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 60.53 2kfw s VAL 8 Cb -0.16 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.57 2kfw s VAL 8 CO -0.07 0.07 0.06 -0.69 -0.31 0.00 0.00 175.10 174.16 2kfw s VAL 9 N -0.45 -0.10 -0.16 1.32 1.01 -0.99 -1.66 120.40 119.37 2kfw s VAL 9 Ca 0.57 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 2kfw s VAL 9 Cb -0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2kfw s VAL 9 CO 0.50 0.18 0.42 -0.94 0.00 0.00 0.00 175.10 175.25 2kfw s SER 10 N 2.12 6.55 -0.21 3.32 1.04 -1.09 -3.09 113.70 122.33 2kfw s SER 10 Ca 0.04 0.65 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 2kfw s SER 10 Cb -0.12 -2.25 0.11 0.00 0.10 0.00 0.00 66.02 63.86 2kfw s SER 10 CO -0.03 -0.01 0.32 -1.48 0.98 0.00 0.00 173.24 173.02 2kfw s LEU 11 N 0.87 -0.45 0.30 2.42 2.34 -1.25 0.21 118.68 123.12 2kfw s LEU 11 Ca 0.22 0.23 -0.28 0.00 0.06 0.00 0.00 54.13 54.35 2kfw s LEU 11 Cb -0.15 0.89 -0.09 0.00 -0.56 0.00 0.00 46.19 46.28 2kfw s LEU 11 CO 0.08 -0.29 0.99 0.00 -1.06 0.00 0.00 176.35 176.07 2kfw s ALA 12 N 2.48 3.28 -0.07 1.48 0.00 -1.06 -3.91 121.76 123.95 2kfw s ALA 12 Ca 0.08 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2kfw s ALA 12 Cb -0.15 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.79 2kfw s ALA 12 CO -0.14 0.06 0.56 1.52 0.00 0.00 0.00 175.76 177.76 2kfw s TYR 13 N -1.37 -0.52 0.06 0.00 -0.85 -1.09 -1.31 117.35 112.26 2kfw s TYR 13 Ca 0.47 0.96 0.05 0.00 -0.52 0.00 0.00 57.07 58.03 2kfw s TYR 13 Cb -0.25 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2kfw s TYR 13 CO 0.31 -0.50 -0.08 1.14 -1.52 0.00 0.00 175.55 174.90 2kfw s GLN 14 N -0.99 2.34 0.08 -3.49 -2.07 -0.80 -1.94 119.66 112.79 2kfw s GLN 14 Ca -0.10 -0.88 0.04 0.00 -1.82 0.00 0.00 55.36 52.60 2kfw s GLN 14 Cb -0.02 -2.40 -0.03 0.00 -1.09 0.00 0.00 33.01 29.47 2kfw s GLN 14 CO 0.07 0.55 -0.12 0.54 -1.32 0.00 0.00 175.29 175.02 2kfw s VAL 15 N -1.12 0.99 -0.07 3.63 0.11 -0.78 -1.91 120.40 121.26 2kfw s VAL 15 Ca 0.20 -1.47 -0.05 0.00 -2.93 0.00 0.00 61.98 57.73 2kfw s VAL 15 Cb -0.11 -1.19 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2kfw s VAL 15 CO 0.11 -0.41 0.17 -0.13 -3.33 0.00 0.00 175.10 171.50 2kfw s ARG 16 N -2.29 0.16 0.37 1.54 0.52 -0.85 -2.13 118.95 116.27 2kfw s ARG 16 Ca 0.02 0.30 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 2kfw s ARG 16 Cb -0.06 -0.02 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 2kfw s ARG 16 CO 0.01 -0.08 0.78 0.95 0.02 0.00 0.00 175.30 176.98 2kfw s THR 17 N 0.55 4.68 0.58 0.02 -4.23 0.90 -2.99 115.64 115.17 2kfw s THR 17 Ca -0.04 0.90 0.36 0.00 -1.18 0.00 0.00 61.69 61.74 2kfw s THR 17 Cb -0.05 -3.65 0.53 0.00 1.34 0.00 0.00 72.50 70.66 2kfw s THR 17 CO -0.03 -0.34 1.48 -0.08 -0.54 0.00 0.00 174.62 175.12 2kfw h GLU 18 N 1.82 0.00 0.00 3.99 4.81 -1.89 1.24 114.58 124.55 2kfw h GLU 18 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kfw h GLU 18 CO 0.64 0.00 0.02 -0.25 -0.73 0.00 0.00 179.01 178.70 2kfw n ASP 19 N -3.60 0.19 0.00 1.04 9.92 -1.26 -4.75 116.55 118.08 2kfw n ASP 19 Ca 0.30 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 2kfw n ASP 19 Cb 1.63 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfw n GLY 20 N -1.42 0.70 3.37 0.44 0.00 0.43 -5.06 105.19 103.65 2kfw n GLY 20 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 2kfw n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfw s VAL 21 N -2.00 2.14 -0.25 1.61 -7.23 -1.18 -4.93 120.40 108.56 2kfw s VAL 21 Ca 0.00 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 2kfw s VAL 21 Cb 0.00 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2kfw s VAL 21 CO 0.00 -0.03 0.51 -0.22 -0.31 0.00 0.00 175.10 175.06 2kfw s LEU 22 N -2.24 4.07 -0.07 1.32 0.20 -1.26 -0.07 118.68 120.63 2kfw s LEU 22 Ca 0.14 0.55 -0.10 0.00 0.69 0.00 0.00 54.13 55.41 2kfw s LEU 22 Cb -0.09 -2.67 -0.07 0.00 -0.43 0.00 0.00 46.19 42.93 2kfw s LEU 22 CO 0.07 -0.26 0.40 0.58 -0.29 0.00 0.00 176.35 176.85 2kfw h VAL 23 N 5.34 0.21 -4.07 1.68 2.07 -1.78 -3.48 116.25 116.21 2kfw h VAL 23 Ca -0.30 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.12 2kfw h VAL 23 Cb 1.14 0.38 -0.19 0.00 -1.52 0.00 0.00 31.29 31.11 2kfw h VAL 23 CO 0.72 0.06 -0.69 -0.62 0.02 0.00 0.00 177.57 177.06 2kfw s ASP 24 N -5.34 0.36 -0.12 0.57 2.15 -1.26 -5.04 116.67 107.99 2kfw s ASP 24 Ca -0.06 -0.70 -0.11 0.00 0.43 0.00 0.00 52.55 52.12 2kfw s ASP 24 Cb 0.00 0.14 0.04 0.00 -0.30 0.00 0.00 42.92 42.79 2kfw s ASP 24 CO 0.19 -0.41 0.33 -1.83 -0.17 0.00 0.00 175.17 173.28 2kfw s GLU 25 N -2.42 0.37 -0.17 4.34 -1.05 -1.26 -1.87 118.70 116.64 2kfw s GLU 25 Ca -0.07 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 2kfw s GLU 25 Cb -0.03 0.14 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 2kfw s GLU 25 CO -0.04 -0.07 -0.11 0.45 0.95 0.00 0.00 175.26 176.44 2kfw s SER 26 N 0.38 2.91 0.84 0.83 0.15 -0.82 -4.96 113.70 113.03 2kfw s SER 26 Ca -0.02 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.88 2kfw s SER 26 Cb -0.04 -1.13 0.10 0.00 -1.71 0.00 0.00 66.02 63.24 2kfw s SER 26 CO -0.02 -0.11 1.10 -2.16 1.20 0.00 0.00 173.24 173.25 2kfw s PRO 27 N 1.50 1.70 0.57 5.44 0.04 -1.26 -2.67 135.00 140.32 2kfw s PRO 27 Ca 0.02 0.69 0.31 0.00 0.04 0.00 0.00 61.00 62.06 2kfw s PRO 27 Cb -0.14 -1.87 1.72 0.00 0.04 0.00 0.00 34.50 34.25 2kfw s PRO 27 CO -0.09 -1.90 2.18 -0.24 0.04 0.00 0.00 177.00 176.99 2kfw h VAL 28 N -1.30 0.46 -0.00 -0.36 3.04 -1.99 -0.20 116.25 115.90 2kfw h VAL 28 Ca -0.48 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2kfw h VAL 28 Cb 1.28 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2kfw h VAL 28 CO 0.58 0.05 -0.07 -1.54 -1.01 0.00 0.00 177.57 175.57 2kfw n SER 29 N -3.64 0.08 -2.97 3.17 3.41 -1.26 -4.08 113.62 108.33 2kfw n SER 29 Ca -0.02 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 2kfw n SER 29 Cb 0.16 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.49 1.78 -1.78 7.33 0.00 -0.12 -5.11 120.51 121.10 2kfw n ALA 30 Ca 0.07 -2.88 -0.36 0.00 0.00 0.00 0.00 53.44 50.27 2kfw n ALA 30 Cb 0.34 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.95 3.83 -0.81 0.00 0.04 -0.98 -4.15 135.00 130.98 2kfw s PRO 31 Ca 0.33 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2kfw s PRO 31 Cb 0.37 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2kfw s PRO 31 CO -0.05 -0.44 1.30 -1.17 0.04 0.00 0.00 177.00 176.69 2kfw s LEU 32 N -3.15 3.35 -0.46 -3.56 0.20 -1.25 -4.73 118.68 109.08 2kfw s LEU 32 Ca 0.64 -0.77 -0.27 0.00 0.69 0.00 0.00 54.13 54.42 2kfw s LEU 32 Cb -0.22 -2.55 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2kfw s LEU 32 CO 0.27 -1.72 1.00 -1.81 -0.29 0.00 0.00 176.35 173.81 2kfw s ASP 33 N 4.06 6.57 0.24 3.68 1.01 -1.26 -3.87 116.67 127.10 2kfw s ASP 33 Ca 0.37 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.95 2kfw s ASP 33 Cb -0.06 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2kfw s ASP 33 CO 0.08 -1.10 0.04 -0.72 0.21 0.00 0.00 175.17 173.67 2kfw s TYR 34 N 3.98 1.53 0.12 4.23 1.13 -1.18 -4.61 117.35 122.55 2kfw s TYR 34 Ca 0.41 -1.04 -0.28 0.00 -1.41 0.00 0.00 57.07 54.75 2kfw s TYR 34 Cb -0.09 -0.90 -0.06 0.00 -1.10 0.00 0.00 41.96 39.80 2kfw s TYR 34 CO 0.27 -0.18 0.89 -1.17 -2.51 0.00 0.00 175.55 172.85 2kfw s LEU 35 N -3.30 4.52 0.46 -3.49 2.96 -1.26 -2.34 118.68 116.22 2kfw s LEU 35 Ca 0.32 1.71 -0.21 0.00 -0.22 0.00 0.00 54.13 55.73 2kfw s LEU 35 Cb 0.07 -3.47 -0.09 0.00 0.50 0.00 0.00 46.19 43.21 2kfw s LEU 35 CO 0.10 0.02 1.04 -2.28 -1.32 0.00 0.00 176.35 173.92 2kfw s HIS 36 N -0.35 3.09 0.00 5.38 2.46 -1.24 -2.46 115.29 122.17 2kfw s HIS 36 Ca 0.42 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.55 2kfw s HIS 36 Cb -0.23 -3.08 0.00 0.00 -0.13 0.00 0.00 32.58 29.14 2kfw s HIS 36 CO 0.28 -0.75 0.00 0.41 -2.47 0.00 0.00 174.74 172.21 2kfw n GLY 37 N -0.08 1.18 2.69 1.59 0.00 -1.26 -3.71 105.19 105.61 2kfw n GLY 37 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.04 0.17 1.61 0.00 -1.25 -4.88 115.29 112.99 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 -0.62 0.00 -1.38 0.00 -1.03 -4.49 105.19 100.91 2kfw n GLY 39 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfw n SER 40 N -2.95 0.00 -4.09 1.61 2.88 -1.26 -4.79 113.62 105.03 2kfw n SER 40 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 2kfw n SER 40 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kfw n LEU 41 N 0.00 -3.03 -4.74 2.46 4.32 -1.26 -4.86 117.00 109.89 2kfw n LEU 41 Ca 0.00 -0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.58 2kfw n LEU 41 Cb 0.00 -0.67 -0.05 0.00 -1.62 0.00 0.00 43.42 41.07 2kfw n LEU 41 CO 0.00 -3.06 0.65 -0.63 -1.22 0.00 0.00 177.39 173.12 2kfw s ILE 42 N -2.08 4.24 0.19 -0.08 1.01 -1.26 -4.93 121.20 118.29 2kfw s ILE 42 Ca 0.43 2.07 0.26 0.00 0.00 0.00 0.00 60.65 63.41 2kfw s ILE 42 Cb 0.01 -4.32 0.27 0.00 0.01 0.00 0.00 42.46 38.43 2kfw s ILE 42 CO 0.68 0.43 1.90 -1.28 0.00 0.00 0.00 174.94 176.67 2kfw h SER 43 N 4.69 0.00 0.05 3.58 0.87 -1.90 -0.27 113.55 120.57 2kfw h SER 43 Ca -0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2kfw h SER 43 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2kfw h SER 43 CO 0.69 0.17 -0.02 1.23 -0.53 0.00 0.00 176.83 178.37 2kfw h GLY 44 N 1.80 -0.07 1.81 5.77 0.00 -1.92 -3.13 103.07 107.33 2kfw h GLY 44 Ca -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2kfw h GLY 44 CO 0.02 -0.03 -0.69 0.17 0.00 0.00 0.00 176.54 176.02 2kfw h LEU 45 N -0.31 0.00 -1.27 3.11 8.10 -1.57 -3.31 115.31 120.06 2kfw h LEU 45 Ca -0.01 0.00 0.38 0.00 0.11 0.00 0.00 57.88 58.36 2kfw h LEU 45 Cb 0.28 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 40.37 2kfw h LEU 45 CO 0.01 0.53 0.73 -0.33 -4.11 0.00 0.00 178.44 175.27 2kfw h GLU 46 N 0.00 0.18 -0.83 0.17 5.08 -0.98 0.60 114.58 118.80 2kfw h GLU 46 Ca -0.03 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2kfw h GLU 46 Cb 1.43 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.55 2kfw h GLU 46 CO 0.06 0.12 0.42 1.79 -1.00 0.00 0.00 179.01 180.41 2kfw h THR 47 N 0.18 0.74 -0.43 1.13 1.35 -1.65 0.10 112.91 114.35 2kfw h THR 47 Ca 0.77 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 66.37 2kfw h THR 47 Cb 2.16 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 2kfw h THR 47 CO -0.47 0.11 0.10 0.00 -0.25 0.00 0.00 175.52 175.00 2kfw h ALA 48 N 1.54 1.37 0.00 6.62 0.00 -0.03 -1.78 119.26 126.98 2kfw h ALA 48 Ca 0.45 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2kfw h ALA 48 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kfw h ALA 48 CO -0.35 0.45 -0.23 1.25 0.00 0.00 0.00 179.25 180.37 2kfw h LEU 49 N 0.62 0.00 -9.56 0.00 6.46 -0.76 -3.33 115.31 108.73 2kfw h LEU 49 Ca 0.14 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.37 2kfw h LEU 49 Cb 0.25 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2kfw h LEU 49 CO -0.00 0.23 0.71 -0.70 -0.62 0.00 0.00 178.44 178.05 2kfw s GLU 50 N -3.71 4.33 -1.04 1.25 2.12 -0.67 -2.48 118.70 118.49 2kfw s GLU 50 Ca 0.00 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2kfw s GLU 50 Cb 0.11 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2kfw s GLU 50 CO 0.63 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 2kfw n GLY 51 N 3.33 0.23 0.00 -1.50 0.00 -1.26 -4.90 105.19 101.10 2kfw n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kfw n GLY 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 52 N -2.55 0.00 -3.41 1.61 1.44 -1.04 -4.93 115.22 106.34 2kfw n HIS 52 Ca -0.12 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.41 2kfw n HIS 52 Cb 0.49 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.49 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2kfw s GLU 53 N 0.00 0.32 -0.18 -1.40 8.01 -1.26 -5.08 118.70 119.11 2kfw s GLU 53 Ca 0.00 -0.22 -0.29 0.00 0.01 0.00 0.00 54.97 54.47 2kfw s GLU 53 Cb 0.00 -0.71 -0.01 0.00 -4.31 0.00 0.00 34.13 29.09 2kfw s GLU 53 CO 0.00 -1.04 1.30 0.08 0.01 0.00 0.00 175.26 175.61 2kfw s VAL 54 N 2.29 4.21 0.00 2.63 1.01 -1.26 -2.45 120.40 126.83 2kfw s VAL 54 Ca 0.10 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2kfw s VAL 54 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2kfw s VAL 54 CO -0.32 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.20 2kfw n GLY 55 N 3.78 0.70 0.22 4.51 0.00 -1.25 -5.04 105.19 108.11 2kfw n GLY 55 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2kfw n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kfw n ASP 56 N 0.00 0.35 -4.31 1.61 8.00 -1.03 -5.01 116.55 116.17 2kfw n ASP 56 Ca 0.00 -1.15 -0.19 0.00 0.71 0.00 0.00 54.79 54.16 2kfw n ASP 56 Cb 0.00 0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.09 2kfw n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kfw s LYS 57 N -2.10 1.21 -0.17 -1.24 1.02 -1.26 -3.19 119.74 114.00 2kfw s LYS 57 Ca 0.02 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.46 2kfw s LYS 57 Cb 0.00 -1.07 0.06 0.00 -0.52 0.00 0.00 37.83 36.29 2kfw s LYS 57 CO 0.02 0.19 0.43 -0.59 -0.92 0.00 0.00 175.35 174.48 2kfw s PHE 58 N -2.55 -0.60 -0.14 3.18 -0.12 -0.57 -4.98 117.98 112.20 2kfw s PHE 58 Ca 0.17 1.31 -0.26 0.00 -0.05 0.00 0.00 56.93 58.10 2kfw s PHE 58 Cb -0.03 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2kfw s PHE 58 CO 0.05 -0.33 0.83 -0.51 -0.05 0.00 0.00 175.22 175.22 2kfw s ASP 59 N 1.14 7.00 -0.26 1.98 1.11 -1.26 -2.06 116.67 124.32 2kfw s ASP 59 Ca -0.07 1.23 -0.01 0.00 0.18 0.00 0.00 52.55 53.87 2kfw s ASP 59 Cb -0.07 -2.46 0.08 0.00 1.07 0.00 0.00 42.92 41.54 2kfw s ASP 59 CO -0.10 -0.35 0.05 -0.69 1.18 0.00 0.00 175.17 175.26 2kfw s VAL 60 N 1.87 0.91 -0.23 -1.27 1.01 -1.18 -4.99 120.40 116.52 2kfw s VAL 60 Ca 0.40 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 2kfw s VAL 60 Cb -0.17 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2kfw s VAL 60 CO 0.15 -0.42 0.86 0.00 0.00 0.00 0.00 175.10 175.68 2kfw s ALA 61 N 1.64 3.64 -0.25 5.51 0.00 -1.26 -3.77 121.76 127.27 2kfw s ALA 61 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 2kfw s ALA 61 Cb -0.17 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.75 2kfw s ALA 61 CO -0.16 -0.92 0.30 0.08 0.00 0.00 0.00 175.76 175.06 2kfw s VAL 62 N 2.83 -0.44 0.00 0.00 1.01 -0.80 -4.96 120.40 118.05 2kfw s VAL 62 Ca 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2kfw s VAL 62 Cb -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2kfw s VAL 62 CO 0.08 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2kfw n GLY 63 N 5.33 -0.12 0.19 4.51 0.00 -1.26 -4.39 105.19 109.45 2kfw n GLY 63 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.88 0.03 4.61 0.00 -1.70 -0.92 119.26 122.16 2kfw h ALA 64 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 2kfw h ALA 64 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kfw h ALA 64 CO 0.00 0.09 -1.13 -0.91 0.00 0.00 0.00 179.25 177.30 2kfw h ASN 65 N 0.00 0.10 0.00 0.00 4.21 -1.91 -2.65 115.58 115.33 2kfw h ASN 65 Ca -0.00 -0.11 -0.10 0.00 1.21 0.00 0.00 56.30 57.30 2kfw h ASN 65 Cb 1.05 -0.03 -0.13 0.00 -1.12 0.00 0.00 38.32 38.10 2kfw h ASN 65 CO 0.01 1.09 -0.05 0.47 -1.29 0.00 0.00 177.43 177.66 2kfw n ASP 66 N -3.36 -1.41 0.00 5.81 8.00 -1.23 -4.79 116.55 119.56 2kfw n ASP 66 Ca -0.04 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2kfw n ASP 66 Cb 0.97 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 43.03 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 1.16 0.00 0.00 2.24 0.00 -0.59 -3.46 120.51 119.86 2kfw n ALA 67 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfw n ALA 67 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 0.00 0.19 0.00 4.01 -1.25 -4.27 117.16 115.83 2kfw n TYR 68 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2kfw n TYR 68 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.00 -0.98 0.00 2.72 0.00 -1.40 -3.43 103.07 99.98 2kfw h GLY 69 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2kfw h GLY 69 CO 0.00 -0.32 0.00 -1.06 0.00 0.00 0.00 176.54 175.16 2kfw n GLN 70 N -4.10 0.00 -1.69 4.80 6.02 -1.00 -3.68 117.38 117.74 2kfw n GLN 70 Ca -0.07 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 56.42 2kfw n GLN 70 Cb 0.27 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.48 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 8.45 2.27 -3.32 1.08 9.36 -1.26 -4.37 117.16 129.37 2kfw n TYR 71 Ca 0.00 0.10 -0.26 0.00 3.32 0.00 0.00 57.90 61.07 2kfw n TYR 71 Cb 0.00 -2.62 -0.08 0.00 -0.63 0.00 0.00 39.34 36.00 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2kfw n ASP 72 N 6.26 0.35 0.26 2.98 5.75 -1.26 -4.33 116.55 126.57 2kfw n ASP 72 Ca 0.23 -2.66 0.18 0.00 -0.01 0.00 0.00 54.79 52.53 2kfw n ASP 72 Cb 0.27 -0.62 0.82 0.00 -1.03 0.00 0.00 41.12 40.56 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2kfw h GLU 73 N 4.71 0.00 -0.19 0.11 5.08 -1.97 -1.27 114.58 121.04 2kfw h GLU 73 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kfw h GLU 73 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kfw h GLU 73 CO 0.47 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.57 2kfw n ASN 74 N -2.87 2.08 0.02 1.42 3.02 -1.26 -4.47 115.26 113.20 2kfw n ASN 74 Ca -0.01 -1.77 -0.07 0.00 -0.03 0.00 0.00 54.58 52.70 2kfw n ASN 74 Cb 0.19 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 2kfw n ASN 74 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2kfw h LEU 75 N 2.81 -0.79 -8.64 3.41 7.12 -1.46 -2.65 115.31 115.11 2kfw h LEU 75 Ca 0.00 0.09 -0.41 0.00 0.13 0.00 0.00 57.88 57.69 2kfw h LEU 75 Cb 0.61 0.30 -0.18 0.00 -0.53 0.00 0.00 40.66 40.87 2kfw h LEU 75 CO 0.00 -0.24 -0.75 0.68 -0.13 0.00 0.00 178.44 177.99 2kfw s VAL 76 N -4.28 1.36 0.04 1.05 -7.23 -1.26 -3.26 120.40 106.81 2kfw s VAL 76 Ca -0.07 -1.80 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2kfw s VAL 76 Cb 0.03 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2kfw s VAL 76 CO 0.29 -0.46 0.13 -1.10 -0.31 0.00 0.00 175.10 173.65 2kfw s GLN 77 N -2.86 0.62 -0.12 4.82 -0.21 -0.98 -5.01 119.66 115.91 2kfw s GLN 77 Ca 0.11 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.82 2kfw s GLN 77 Cb -0.04 0.25 0.01 0.00 1.00 0.00 0.00 33.01 34.23 2kfw s GLN 77 CO 0.03 -0.16 -0.18 1.03 -2.12 0.00 0.00 175.29 173.89 2kfw s ARG 78 N -2.51 2.57 -0.24 2.91 1.81 -1.26 -1.93 118.95 120.29 2kfw s ARG 78 Ca -0.06 -0.69 -0.11 0.00 -1.72 0.00 0.00 55.73 53.16 2kfw s ARG 78 Cb -0.02 -2.13 0.09 0.00 -0.45 0.00 0.00 34.95 32.44 2kfw s ARG 78 CO -0.04 -0.05 0.55 0.14 -0.68 0.00 0.00 175.30 175.22 2kfw s VAL 79 N 0.94 -0.46 0.72 3.52 -7.23 0.34 -4.92 120.40 113.32 2kfw s VAL 79 Ca -0.06 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2kfw s VAL 79 Cb -0.15 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 35.98 2kfw s VAL 79 CO -0.02 0.03 1.07 -2.16 -0.31 0.00 0.00 175.10 173.70 2kfw s PRO 80 N 2.20 2.72 0.44 4.82 0.04 -1.26 -2.62 135.00 141.34 2kfw s PRO 80 Ca -0.07 1.04 0.30 0.00 0.04 0.00 0.00 61.00 62.31 2kfw s PRO 80 Cb -0.09 -1.96 1.53 0.00 0.04 0.00 0.00 34.50 34.02 2kfw s PRO 80 CO -0.16 -1.28 1.92 0.87 0.04 0.00 0.00 177.00 178.39 2kfw h LYS 81 N -0.83 0.00 0.00 4.56 1.57 -1.91 -2.16 116.57 117.81 2kfw h LYS 81 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2kfw h LYS 81 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2kfw h LYS 81 CO 0.55 0.00 0.04 -0.25 -0.57 0.00 0.00 179.45 179.22 2kfw n ASP 82 N -2.60 0.53 -0.00 0.86 9.92 -1.26 -0.61 116.55 123.38 2kfw n ASP 82 Ca -0.01 0.73 0.09 0.00 -0.53 0.00 0.00 54.79 55.08 2kfw n ASP 82 Cb 0.11 -0.79 -0.13 0.00 -0.64 0.00 0.00 41.12 39.68 2kfw n ASP 82 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2kfw n VAL 83 N -2.22 0.00 0.00 2.53 0.31 -0.81 -4.71 118.33 113.43 2kfw n VAL 83 Ca -0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2kfw n VAL 83 Cb 0.07 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 2kfw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kfw n PHE 84 N -1.76 0.00 -2.88 3.52 3.01 0.22 -5.01 117.46 114.56 2kfw n PHE 84 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 2kfw n PHE 84 Cb 0.38 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2kfw n PHE 84 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 2kfw n MET 85 N -0.62 -2.43 0.00 -1.08 1.56 -1.22 -4.87 117.12 108.46 2kfw n MET 85 Ca 0.00 2.12 0.00 0.00 -0.27 0.00 0.00 57.70 59.55 2kfw n MET 85 Cb 0.00 -3.94 0.00 0.00 2.15 0.00 0.00 33.22 31.43 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kfw n GLY 86 N 0.87 0.74 0.00 -5.12 0.00 -1.26 -5.08 105.19 95.34 2kfw n GLY 86 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2kfw n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kfw n VAL 87 N 0.00 0.00 -1.22 1.61 0.24 -1.26 -5.00 118.33 112.70 2kfw n VAL 87 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2kfw n VAL 87 Cb 0.00 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 31.82 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kfw n ASP 88 N -1.63 -5.68 0.00 -1.34 2.03 -1.26 -4.80 116.55 103.87 2kfw n ASP 88 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2kfw n ASP 88 Cb 0.30 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.85 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kfw n GLU 89 N -0.44 0.00 -3.53 -0.67 1.02 -1.26 -5.14 120.64 110.62 2kfw n GLU 89 Ca -0.08 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.80 2kfw n GLU 89 Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.82 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kfw s LEU 90 N 0.00 0.39 -0.05 -4.62 2.96 -1.26 -4.99 118.68 111.11 2kfw s LEU 90 Ca 0.00 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 52.85 2kfw s LEU 90 Cb 0.00 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.49 2kfw s LEU 90 CO 0.00 -0.42 -0.16 -1.58 -1.32 0.00 0.00 176.35 172.87 2kfw s GLN 91 N 2.15 1.75 -0.05 1.98 0.74 -1.26 -5.04 119.66 119.93 2kfw s GLN 91 Ca 0.08 -0.57 -0.40 0.00 0.05 0.00 0.00 55.36 54.52 2kfw s GLN 91 Cb -0.16 -1.50 -0.19 0.00 1.10 0.00 0.00 33.01 32.26 2kfw s GLN 91 CO -0.32 0.20 1.20 0.28 -0.55 0.00 0.00 175.29 176.09 2kfw n VAL 92 N 3.26 0.01 0.00 1.34 0.31 -1.26 0.19 118.33 122.18 2kfw n VAL 92 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2kfw n VAL 92 Cb 0.53 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 2kfw n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kfw n GLY 93 N 2.03 3.17 3.73 2.92 0.00 -0.58 -5.01 105.19 111.45 2kfw n GLY 93 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kfw s MET 94 N -0.38 2.11 -0.02 1.61 1.75 0.51 -4.50 119.30 120.39 2kfw s MET 94 Ca 0.00 1.64 0.06 0.00 -1.25 0.00 0.00 55.69 56.14 2kfw s MET 94 Cb 0.00 -1.84 -0.02 0.00 2.84 0.00 0.00 34.83 35.80 2kfw s MET 94 CO 0.00 -1.83 -0.19 -0.98 -0.65 0.00 0.00 175.02 171.37 2kfw s ARG 95 N -4.09 2.27 0.04 4.11 1.70 -1.26 -1.90 118.95 119.81 2kfw s ARG 95 Ca 0.71 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 2kfw s ARG 95 Cb -0.26 -2.21 -0.03 0.00 -0.57 0.00 0.00 34.95 31.88 2kfw s ARG 95 CO 0.47 0.58 -0.04 -0.59 -1.08 0.00 0.00 175.30 174.64 2kfw s PHE 96 N -0.72 0.45 -0.51 5.89 -0.12 -0.90 -5.00 117.98 117.07 2kfw s PHE 96 Ca 0.11 -0.71 -0.28 0.00 -0.05 0.00 0.00 56.93 56.01 2kfw s PHE 96 Cb -0.10 -0.31 0.01 0.00 -0.63 0.00 0.00 43.02 41.99 2kfw s PHE 96 CO 0.01 -0.22 1.46 -1.17 -0.05 0.00 0.00 175.22 175.24 2kfw s LEU 97 N -2.01 3.45 0.53 -1.99 2.96 -1.26 -3.10 118.68 117.25 2kfw s LEU 97 Ca -0.06 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.13 2kfw s LEU 97 Cb -0.04 -3.18 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 2kfw s LEU 97 CO -0.04 -1.67 1.07 0.00 -1.32 0.00 0.00 176.35 174.39 2kfw s ALA 98 N 6.10 2.78 -0.49 5.97 0.00 -0.11 -4.86 121.76 131.16 2kfw s ALA 98 Ca 0.57 0.61 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2kfw s ALA 98 Cb -0.12 -3.28 0.30 0.00 0.00 0.00 0.00 23.12 20.02 2kfw s ALA 98 CO 0.27 -0.58 0.74 0.39 0.00 0.00 0.00 175.76 176.59 2kfw n GLU 99 N -1.35 1.84 -0.64 0.00 -0.58 -1.26 -0.92 120.64 117.73 2kfw n GLU 99 Ca 0.10 -4.01 -0.17 0.00 -0.42 0.00 0.00 57.16 52.66 2kfw n GLU 99 Cb 0.52 -1.85 0.14 0.00 -0.57 0.00 0.00 31.44 29.68 2kfw n GLU 99 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2kfw n THR 100 N 0.54 0.00 0.27 2.62 -1.04 -1.15 -4.88 114.28 110.64 2kfw n THR 100 Ca 0.27 -0.30 0.13 0.00 -2.04 0.00 0.00 64.05 62.10 2kfw n THR 100 Cb 0.51 -1.20 0.26 0.00 -1.82 0.00 0.00 70.33 68.08 2kfw n THR 100 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kfw h ASP 101 N -1.85 0.00 -0.35 8.00 3.32 -2.03 -3.09 116.42 120.42 2kfw h ASP 101 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2kfw h ASP 101 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2kfw h ASP 101 CO 0.15 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 2kfw n GLN 102 N -3.00 2.80 0.00 3.56 10.64 -1.26 -5.00 117.38 125.12 2kfw n GLN 102 Ca 0.04 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.53 2kfw n GLN 102 Cb 0.49 -1.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kfw n GLY 103 N 0.60 2.45 3.72 2.61 0.00 -1.17 -5.00 105.19 108.41 2kfw n GLY 103 Ca 0.15 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.61 4.44 -0.08 1.61 0.04 -1.26 -2.96 135.00 134.18 2kfw s PRO 104 Ca 0.00 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2kfw s PRO 104 Cb 0.00 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2kfw s PRO 104 CO 0.00 -0.22 -0.14 0.08 0.04 0.00 0.00 177.00 176.75 2kfw s VAL 105 N 0.70 1.33 -0.30 -0.36 1.01 -0.09 -4.91 120.40 117.77 2kfw s VAL 105 Ca 0.58 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2kfw s VAL 105 Cb -0.31 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2kfw s VAL 105 CO 0.32 0.40 1.45 -2.16 0.00 0.00 0.00 175.10 175.10 2kfw s PRO 106 N 0.66 3.77 0.33 2.72 0.04 -1.26 -0.93 135.00 140.33 2kfw s PRO 106 Ca -0.14 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2kfw s PRO 106 Cb -0.16 -3.98 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 2kfw s PRO 106 CO 0.04 -1.31 0.05 0.14 0.04 0.00 0.00 177.00 175.96 2kfw s VAL 107 N 4.99 1.25 -0.17 -0.36 -7.23 -1.18 -4.45 120.40 113.26 2kfw s VAL 107 Ca 0.63 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2kfw s VAL 107 Cb -0.19 -2.80 0.08 0.00 0.56 0.00 0.00 36.38 34.03 2kfw s VAL 107 CO 0.28 -0.01 0.31 -1.61 -0.31 0.00 0.00 175.10 173.76 2kfw s GLU 108 N -3.88 0.22 0.13 4.82 2.02 -1.09 -2.12 118.70 118.80 2kfw s GLU 108 Ca 0.36 0.75 -0.35 0.00 0.02 0.00 0.00 54.97 55.76 2kfw s GLU 108 Cb 0.09 -0.09 -0.16 0.00 0.10 0.00 0.00 34.13 34.07 2kfw s GLU 108 CO 0.16 -0.35 1.27 0.44 0.02 0.00 0.00 175.26 176.80 2kfw n ILE 109 N 5.36 0.40 0.00 -1.63 -0.00 -0.80 -2.80 119.36 119.89 2kfw n ILE 109 Ca -0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 2kfw n ILE 109 Cb 0.50 -0.85 0.00 0.00 -0.00 0.00 0.00 39.64 39.29 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 2.08 0.00 -3.86 7.28 5.66 -1.03 -1.53 114.28 122.87 2kfw n THR 110 Ca 0.17 -0.35 -0.11 0.00 -3.05 0.00 0.00 64.05 60.71 2kfw n THR 110 Cb 0.22 0.96 -0.00 0.00 -1.55 0.00 0.00 70.33 69.95 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 -0.79 -0.94 -3.11 1.79 0.00 -1.25 -4.90 120.51 111.32 2kfw n ALA 111 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.01 2kfw n ALA 111 Cb 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 19.45 20.38 2kfw n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kfw s VAL 112 N -2.49 -0.00 0.30 0.00 1.01 -1.26 -3.68 120.40 114.28 2kfw s VAL 112 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2kfw s VAL 112 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2kfw s VAL 112 CO 0.15 0.00 0.19 -1.61 0.00 0.00 0.00 175.10 173.83 2kfw s GLU 113 N 0.14 1.59 0.09 2.72 8.01 -0.22 -4.96 118.70 126.07 2kfw s GLU 113 Ca -0.00 -1.91 -0.31 0.00 0.01 0.00 0.00 54.97 52.76 2kfw s GLU 113 Cb -0.02 0.09 -0.07 0.00 -4.31 0.00 0.00 34.13 29.82 2kfw s GLU 113 CO 0.00 -0.51 1.40 -0.51 0.01 0.00 0.00 175.26 175.65 2kfw s ASP 114 N -3.35 6.83 -1.50 -0.19 1.11 -1.26 -2.97 116.67 115.34 2kfw s ASP 114 Ca 0.37 2.28 -0.17 0.00 0.18 0.00 0.00 52.55 55.21 2kfw s ASP 114 Cb 0.04 -2.58 0.16 0.00 1.07 0.00 0.00 42.92 41.61 2kfw s ASP 114 CO 0.20 -0.67 0.58 0.47 1.18 0.00 0.00 175.17 176.92 2kfw n ASP 115 N 4.29 -2.58 -3.60 0.27 9.92 -1.26 -4.86 116.55 118.73 2kfw n ASP 115 Ca 0.12 -0.81 -0.07 0.00 -0.53 0.00 0.00 54.79 53.49 2kfw n ASP 115 Cb 0.43 -2.18 -0.04 0.00 -0.64 0.00 0.00 41.12 38.68 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2kfw s HIS 116 N -3.06 -0.24 0.02 1.24 2.46 -1.16 -4.53 115.29 110.02 2kfw s HIS 116 Ca 0.64 0.39 -0.00 0.00 0.47 0.00 0.00 55.06 56.55 2kfw s HIS 116 Cb -0.36 0.47 -0.02 0.00 -0.13 0.00 0.00 32.58 32.54 2kfw s HIS 116 CO 0.78 -0.25 -0.02 0.08 -2.47 0.00 0.00 174.74 172.86 2kfw s VAL 117 N -1.30 0.13 0.09 0.89 1.01 -1.08 -1.06 120.40 119.08 2kfw s VAL 117 Ca 0.03 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2kfw s VAL 117 Cb -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2kfw s VAL 117 CO -0.02 -0.57 0.08 -0.69 0.00 0.00 0.00 175.10 173.90 2kfw s VAL 118 N -1.84 4.52 -0.17 2.92 1.01 -1.24 -0.50 120.40 125.09 2kfw s VAL 118 Ca -0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 2kfw s VAL 118 Cb -0.07 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.17 2kfw s VAL 118 CO -0.02 0.11 0.44 0.54 0.00 0.00 0.00 175.10 176.16 2kfw s VAL 119 N -1.42 -0.01 0.72 2.92 0.11 -0.81 -2.48 120.40 119.43 2kfw s VAL 119 Ca 0.29 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.32 2kfw s VAL 119 Cb -0.12 -0.63 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2kfw s VAL 119 CO 0.22 0.02 1.03 -0.62 -3.33 0.00 0.00 175.10 172.42 2kfw s ASP 120 N 0.80 4.69 0.00 3.54 2.15 -1.12 -2.32 116.67 124.41 2kfw s ASP 120 Ca -0.05 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.32 2kfw s ASP 120 Cb -0.05 -0.99 0.00 0.00 -0.30 0.00 0.00 42.92 41.58 2kfw s ASP 120 CO -0.06 -1.68 0.00 0.61 -0.17 0.00 0.00 175.17 173.87 2kfw n GLY 121 N -2.96 -1.42 3.93 2.66 0.00 -1.20 -2.69 105.19 103.51 2kfw n GLY 121 Ca 0.09 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 2kfw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s ASN 122 N 0.00 3.47 0.24 1.61 4.22 -1.00 -4.55 114.94 118.93 2kfw s ASN 122 Ca 0.00 0.29 0.02 0.00 -2.14 0.00 0.00 52.86 51.03 2kfw s ASN 122 Cb 0.00 -0.44 -0.03 0.00 1.28 0.00 0.00 41.25 42.05 2kfw s ASN 122 CO 0.00 -2.51 0.40 -1.00 -2.04 0.00 0.00 177.10 171.95 2kfw s HIS 123 N -3.76 3.48 0.45 1.54 3.76 -1.25 -4.97 115.29 114.54 2kfw s HIS 123 Ca 0.71 0.18 0.40 0.00 -0.15 0.00 0.00 55.06 56.20 2kfw s HIS 123 Cb -0.05 -1.73 2.11 0.00 1.11 0.00 0.00 32.58 34.01 2kfw s HIS 123 CO 0.51 0.37 2.22 1.98 -0.85 0.00 0.00 174.74 178.97 2kfw h MET 124 N 1.48 0.00 0.00 1.40 4.05 -1.98 -3.18 114.93 116.69 2kfw h MET 124 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2kfw h MET 124 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2kfw h MET 124 CO 0.64 0.00 0.00 1.28 0.23 0.00 0.00 176.91 179.06 2kfw n LEU 125 N -2.95 0.02 0.00 3.39 4.77 -1.26 -4.97 117.00 116.01 2kfw n LEU 125 Ca -0.02 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2kfw n LEU 125 Cb 0.10 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2kfw n LEU 125 CO 0.19 -0.50 0.00 0.00 -1.33 0.00 0.00 177.39 175.76 2kfw n ALA 126 N -1.99 0.00 -1.18 -1.18 0.00 -1.20 -4.58 120.51 110.39 2kfw n ALA 126 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2kfw n ALA 126 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 5.00 0.44 2.95 0.00 0.00 -1.24 -3.85 105.19 108.49 2kfw n GLY 127 Ca 0.00 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2kfw n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 128 N -2.69 3.83 -2.37 1.61 1.13 -1.26 -4.77 117.38 112.85 2kfw n GLN 128 Ca -0.01 -3.84 -0.41 0.00 -1.94 0.00 0.00 57.00 50.80 2kfw n GLN 128 Cb 0.10 -2.82 -0.03 0.00 0.11 0.00 0.00 30.24 27.60 2kfw n GLN 128 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2kfw s ASN 129 N 0.32 7.09 -0.12 1.08 -0.87 -1.26 -2.84 114.94 118.34 2kfw s ASN 129 Ca 0.37 2.26 -0.11 0.00 -1.57 0.00 0.00 52.86 53.82 2kfw s ASN 129 Cb 0.07 -2.61 0.03 0.00 -0.02 0.00 0.00 41.25 38.72 2kfw s ASN 129 CO 0.03 -0.36 0.31 -1.48 -2.57 0.00 0.00 177.10 173.02 2kfw s LEU 130 N -0.41 0.82 -0.13 0.60 0.05 -1.26 -3.74 118.68 114.61 2kfw s LEU 130 Ca 0.52 0.62 -0.03 0.00 0.05 0.00 0.00 54.13 55.28 2kfw s LEU 130 Cb -0.33 1.05 -0.03 0.00 -2.05 0.00 0.00 46.19 44.83 2kfw s LEU 130 CO 0.38 -0.11 -0.00 -0.75 -0.55 0.00 0.00 176.35 175.32 2kfw s LYS 131 N 0.18 3.39 -0.14 1.48 2.36 -1.16 -1.90 119.74 123.95 2kfw s LYS 131 Ca -0.00 -0.44 -0.06 0.00 -2.55 0.00 0.00 55.97 52.92 2kfw s LYS 131 Cb -0.02 -2.91 0.06 0.00 -1.05 0.00 0.00 37.83 33.91 2kfw s LYS 131 CO 0.00 0.47 0.31 -0.59 1.55 0.00 0.00 175.35 177.09 2kfw s PHE 132 N -0.24 -0.48 0.17 4.03 -0.12 -1.25 -2.01 117.98 118.09 2kfw s PHE 132 Ca 0.05 1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 57.68 2kfw s PHE 132 Cb -0.12 0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.31 2kfw s PHE 132 CO 0.02 -0.32 0.94 1.21 -0.05 0.00 0.00 175.22 177.03 2kfw s ASN 133 N 1.72 7.56 0.08 1.98 3.04 -0.80 -3.10 114.94 125.42 2kfw s ASN 133 Ca -0.06 1.85 0.07 0.00 0.04 0.00 0.00 52.86 54.77 2kfw s ASN 133 Cb -0.10 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 36.98 2kfw s ASN 133 CO -0.10 0.04 -0.20 -0.69 -3.04 0.00 0.00 177.10 173.11 2kfw s VAL 134 N -0.55 1.61 0.02 -5.21 1.01 -0.88 -1.90 120.40 114.50 2kfw s VAL 134 Ca 0.44 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 61.06 2kfw s VAL 134 Cb -0.24 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2kfw s VAL 134 CO 0.31 0.00 -0.12 -1.83 0.00 0.00 0.00 175.10 173.46 2kfw s GLU 135 N -1.65 0.89 0.04 2.72 -1.05 -0.43 -1.52 118.70 117.70 2kfw s GLU 135 Ca 0.06 -0.57 -0.17 0.00 -0.15 0.00 0.00 54.97 54.13 2kfw s GLU 135 Cb -0.10 -0.86 -0.06 0.00 -0.44 0.00 0.00 34.13 32.67 2kfw s GLU 135 CO 0.03 0.22 0.49 0.08 0.95 0.00 0.00 175.26 177.04 2kfw s VAL 136 N -0.59 4.88 -0.11 1.83 1.01 -1.19 -2.58 120.40 123.65 2kfw s VAL 136 Ca 0.02 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 2kfw s VAL 136 Cb -0.06 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2kfw s VAL 136 CO 0.00 0.56 -0.12 0.52 0.00 0.00 0.00 175.10 176.06 2kfw n VAL 137 N 1.73 0.63 -3.69 2.92 0.31 0.57 -3.80 118.33 117.01 2kfw n VAL 137 Ca -0.12 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 2kfw n VAL 137 Cb 0.51 -1.23 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.22 -0.96 -0.28 3.52 0.00 -1.20 -4.88 121.76 115.75 2kfw s ALA 138 Ca -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2kfw s ALA 138 Cb 0.05 0.81 0.16 0.00 0.00 0.00 0.00 23.12 24.14 2kfw s ALA 138 CO 0.23 -0.75 0.41 0.42 0.00 0.00 0.00 175.76 176.08 2kfw s ILE 139 N -3.85 -0.65 0.12 0.00 1.01 -1.25 -2.66 121.20 113.92 2kfw s ILE 139 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2kfw s ILE 139 Cb 0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2kfw s ILE 139 CO -0.06 -0.24 0.10 -0.60 0.00 0.00 0.00 174.94 174.13 2kfw s ARG 140 N 2.56 0.91 0.63 2.79 3.52 -0.67 -4.95 118.95 123.75 2kfw s ARG 140 Ca 0.10 -1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 54.27 2kfw s ARG 140 Cb -0.13 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2kfw s ARG 140 CO -0.27 -0.27 1.05 -1.21 -0.81 0.00 0.00 175.30 173.78 2kfw s GLU 141 N -3.99 3.28 0.28 5.12 2.02 -1.26 0.94 118.70 125.08 2kfw s GLU 141 Ca 0.18 1.00 0.09 0.00 0.02 0.00 0.00 54.97 56.26 2kfw s GLU 141 Cb 0.06 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 2kfw s GLU 141 CO -0.02 -0.83 0.06 0.00 0.02 0.00 0.00 175.26 174.49 2kfw s ALA 142 N -2.82 3.30 1.08 5.21 0.00 -1.23 -4.70 121.76 122.59 2kfw s ALA 142 Ca 0.59 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 2kfw s ALA 142 Cb -0.14 -0.84 0.15 0.00 0.00 0.00 0.00 23.12 22.30 2kfw s ALA 142 CO 0.46 0.21 0.68 2.41 0.00 0.00 0.00 175.76 179.53 2kfw n THR 143 N -0.99 0.00 -0.22 0.00 -1.04 -1.26 -4.64 114.28 106.13 2kfw n THR 143 Ca -0.06 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.05 61.50 2kfw n THR 143 Cb 0.59 -1.40 0.06 0.00 -1.82 0.00 0.00 70.33 67.76 2kfw n THR 143 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kfw h GLU 144 N 0.00 0.77 -0.19 -2.82 4.57 -2.00 -1.36 114.58 113.54 2kfw h GLU 144 Ca -0.24 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 2kfw h GLU 144 Cb 0.70 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2kfw h GLU 144 CO 0.16 0.51 -0.16 1.49 -1.18 0.00 0.00 179.01 179.83 2kfw h GLU 145 N 0.79 0.45 -0.86 1.92 4.57 -1.97 0.40 114.58 119.87 2kfw h GLU 145 Ca 0.25 -0.22 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2kfw h GLU 145 Cb -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.50 2kfw h GLU 145 CO -0.09 0.78 0.50 0.93 -1.18 0.00 0.00 179.01 179.96 2kfw h GLU 146 N 0.12 0.80 0.00 1.92 3.07 -1.69 0.21 114.58 119.01 2kfw h GLU 146 Ca 0.03 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2kfw h GLU 146 Cb 0.69 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2kfw h GLU 146 CO 0.04 0.53 0.00 -0.07 -1.40 0.00 0.00 179.01 178.11 2kfw h LEU 147 N 0.83 0.00 0.12 1.33 4.07 -1.16 0.41 115.31 120.90 2kfw h LEU 147 Ca 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.38 2kfw h LEU 147 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2kfw h LEU 147 CO -0.26 0.00 -0.06 0.00 -1.08 0.00 0.00 178.44 177.05 2kfw h ALA 148 N 2.03 -0.15 -0.01 1.53 0.00 0.16 -3.23 119.26 119.59 2kfw h ALA 148 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kfw h ALA 148 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kfw h ALA 148 CO 0.00 -0.25 -0.11 0.72 0.00 0.00 0.00 179.25 179.61 2kfw n HIS 149 N -4.87 0.00 -2.84 0.00 8.25 -0.06 -4.94 115.22 110.76 2kfw n HIS 149 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 2kfw n HIS 149 Cb 0.28 -0.13 0.05 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 1.25 -0.34 3.62 -1.41 0.00 -0.24 -5.04 105.19 103.04 2kfw n GLY 150 Ca 0.15 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.26 -0.22 -0.20 1.61 3.76 0.13 -4.55 115.29 112.56 2kfw s HIS 151 Ca 0.17 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 2kfw s HIS 151 Cb -0.02 0.54 0.06 0.00 1.11 0.00 0.00 32.58 34.26 2kfw s HIS 151 CO 0.51 -1.02 -0.01 0.54 -0.85 0.00 0.00 174.74 173.90 2kfw s VAL 152 N -3.87 0.98 -0.98 -0.90 0.11 -1.26 -4.31 120.40 110.17 2kfw s VAL 152 Ca 0.09 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2kfw s VAL 152 Cb -0.03 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 2kfw s VAL 152 CO -0.01 -0.09 0.00 1.57 -3.33 0.00 0.00 175.10 173.24 2kfw n HIS 153 N 4.89 -0.85 -1.45 1.54 -0.00 -1.26 -4.75 115.22 113.34 2kfw n HIS 153 Ca -0.11 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.98 2kfw n HIS 153 Cb 0.46 -2.24 0.19 0.00 -0.12 0.00 0.00 29.99 28.28 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 154 N -0.36 4.93 0.07 1.57 0.00 -1.26 -4.51 105.19 105.63 2kfw n GLY 154 Ca -0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.11 0.59 1.64 4.61 0.00 -1.26 -4.40 120.51 120.58 2kfw n ALA 155 Ca 0.39 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 53.33 2kfw n ALA 155 Cb 1.12 0.02 0.36 0.00 0.00 0.00 0.00 19.45 20.96 2kfw n ALA 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kfw n HIS 156 N -4.26 0.12 0.56 0.00 1.44 -1.26 -3.65 115.22 108.16 2kfw n HIS 156 Ca -0.09 -0.06 0.11 0.00 -2.01 0.00 0.00 57.72 55.67 2kfw n HIS 156 Cb 0.35 0.00 0.45 0.00 0.12 0.00 0.00 29.99 30.91 2kfw n HIS 156 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 157 N -0.26 0.46 -3.58 4.39 2.03 -1.26 -4.82 116.55 113.51 2kfw n ASP 157 Ca 0.12 0.58 -0.12 0.00 0.52 0.00 0.00 54.79 55.89 2kfw n ASP 157 Cb 0.16 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 39.82 2kfw n ASP 157 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2kfw s HIS 158 N -3.15 -0.35 -0.48 -0.67 -3.43 -1.24 -5.04 115.29 100.93 2kfw s HIS 158 Ca 0.08 0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 54.56 2kfw s HIS 158 Cb 0.11 0.34 0.36 0.00 -1.43 0.00 0.00 32.58 31.96 2kfw s HIS 158 CO 0.43 -0.69 1.98 1.58 -2.00 0.00 0.00 174.74 176.05 2kfw n HIS 159 N 0.09 2.42 -4.01 0.38 -0.00 -1.26 -4.86 115.22 107.97 2kfw n HIS 159 Ca -0.17 -2.39 -0.30 0.00 0.46 0.00 0.00 57.72 55.31 2kfw n HIS 159 Cb 0.62 -1.16 -0.16 0.00 -0.12 0.00 0.00 29.99 29.17 2kfw n HIS 159 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kfw s HIS 160 N -2.82 2.25 0.00 1.57 5.65 -1.26 -5.05 115.29 115.63 2kfw s HIS 160 Ca 0.48 -1.34 0.00 0.00 0.25 0.00 0.00 55.06 54.45 2kfw s HIS 160 Cb 0.38 -1.61 0.00 0.00 -1.18 0.00 0.00 32.58 30.17 2kfw s HIS 160 CO 0.00 -0.69 0.00 -0.25 -0.65 0.00 0.00 174.74 173.15 2kfw n ASP 161 N 4.74 0.00 0.00 9.88 9.92 -1.26 -5.11 116.55 134.72 2kfw n ASP 161 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2kfw n ASP 161 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2kfw n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kfw n HIS 162 N 0.00 0.00 -2.32 1.24 1.44 -1.26 -5.17 115.22 109.15 2kfw n HIS 162 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2kfw n HIS 162 Cb 0.00 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.18 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 163 N 0.00 0.64 -2.25 4.39 -0.08 -1.26 -4.98 116.55 113.01 2kfw n ASP 163 Ca 0.00 -1.56 -0.29 0.00 -1.51 0.00 0.00 54.79 51.43 2kfw n ASP 163 Cb 0.00 -0.37 0.12 0.00 2.34 0.00 0.00 41.12 43.21 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2kfw n HIS 164 N -2.26 3.04 -4.80 -0.67 8.25 -1.26 -4.93 115.22 112.60 2kfw n HIS 164 Ca 0.09 -2.48 -0.27 0.00 -0.26 0.00 0.00 57.72 54.80 2kfw n HIS 164 Cb 0.31 -1.22 -0.15 0.00 1.12 0.00 0.00 29.99 30.06 2kfw n HIS 164 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kfw s ASP 165 N -1.48 2.64 -0.06 0.41 -1.08 -1.26 -5.13 116.67 110.71 2kfw s ASP 165 Ca 0.59 -0.51 0.04 0.00 -0.52 0.00 0.00 52.55 52.16 2kfw s ASP 165 Cb 0.48 -0.24 -0.00 0.00 -1.46 0.00 0.00 42.92 41.69 2kfw s ASP 165 CO 0.04 0.21 -0.18 -0.83 0.52 0.00 0.00 175.17 174.92 2kfw s GLY 166 N -1.03 1.01 -0.31 2.66 0.00 -1.26 -5.03 107.32 103.36 2kfw s GLY 166 Ca 0.09 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.23 2kfw s GLY 166 CO 0.01 -0.31 1.08 0.00 0.00 0.00 0.00 173.10 173.88 2kfw n GLY 169 N -1.82 0.47 0.00 0.00 0.00 -1.26 -5.03 105.19 97.54 2kfw n GLY 169 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.95 -0.32 1.40 -0.02 0.00 -1.26 -5.12 105.19 101.82 2kfw n GLY 170 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2kfw n GLY 170 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 171 N 0.00 -3.72 -1.46 1.61 1.44 -1.26 -4.20 115.22 107.62 2kfw n HIS 171 Ca 0.00 -0.50 -0.16 0.00 -2.01 0.00 0.00 57.72 55.05 2kfw n HIS 171 Cb 0.00 -0.33 -0.07 0.00 0.12 0.00 0.00 29.99 29.71 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kfw n GLY 172 N 1.99 1.54 2.45 -1.39 0.00 -1.26 -4.14 105.19 104.38 2kfw n GLY 172 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.35 -4.13 -4.48 1.61 8.25 -1.26 -5.02 115.22 107.84 2kfw n HIS 173 Ca -0.16 2.44 -0.21 0.00 -0.26 0.00 0.00 57.72 59.53 2kfw n HIS 173 Cb 0.61 -3.52 -0.15 0.00 1.12 0.00 0.00 29.99 28.06 2kfw n HIS 173 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kfw s ASP 174 N -0.55 1.36 0.00 0.41 -1.08 -1.26 -5.15 116.67 110.40 2kfw s ASP 174 Ca -0.10 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.72 2kfw s ASP 174 Cb 0.01 -0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 2kfw s ASP 174 CO 0.27 0.10 0.00 1.57 0.52 0.00 0.00 175.17 177.63 2kfw n HIS 175 N 3.08 -0.42 0.00 -5.34 -0.00 -1.26 -5.02 115.22 106.25 2kfw n HIS 175 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2kfw n HIS 175 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 176 N 5.00 -0.82 2.65 1.57 0.00 -1.26 -5.02 105.19 107.31 2kfw n GLY 176 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 2kfw n GLY 176 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 177 N 0.00 -0.42 0.00 1.61 -3.43 -1.26 -5.13 115.29 106.66 2kfw s HIS 177 Ca 0.00 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.05 2kfw s HIS 177 Cb 0.00 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 30.90 2kfw s HIS 177 CO 0.00 -1.06 0.00 0.39 -2.00 0.00 0.00 174.74 172.07 2kfw n GLU 178 N 3.21 0.00 -1.42 -0.38 1.02 -1.26 -5.14 120.64 116.67 2kfw n GLU 178 Ca 0.21 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.02 2kfw n GLU 178 Cb 0.51 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.02 2kfw n GLU 178 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kfw s HIS 179 N -2.90 2.21 0.00 -0.32 5.04 -1.26 -5.00 115.29 113.06 2kfw s HIS 179 Ca 0.00 1.61 0.00 0.00 -1.54 0.00 0.00 55.06 55.13 2kfw s HIS 179 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 32.58 29.29 2kfw s HIS 179 CO 0.00 -2.29 0.00 0.41 -2.34 0.00 0.00 174.74 170.52 2kfw n GLY 180 N -0.04 4.23 0.58 1.59 0.00 -1.26 -5.11 105.19 105.17 2kfw n GLY 180 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.32 -3.30 3.15 -0.02 0.00 -1.26 -4.92 105.19 97.52 2kfw n GLY 181 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2kfw n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfw s GLU 182 N -4.58 2.81 0.41 1.61 8.01 -1.26 -5.11 118.70 120.58 2kfw s GLU 182 Ca 0.00 -0.97 0.08 0.00 0.01 0.00 0.00 54.97 54.08 2kfw s GLU 182 Cb 0.00 -2.82 -0.00 0.00 -4.31 0.00 0.00 34.13 27.00 2kfw s GLU 182 CO 0.00 -0.35 0.50 0.20 0.01 0.00 0.00 175.26 175.62 2kfw s GLY 183 N 1.28 1.95 -0.11 -1.39 0.00 -1.26 -4.83 107.32 102.96 2kfw s GLY 183 Ca 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 44.72 43.00 2kfw s GLY 183 CO -0.08 -1.53 0.05 0.00 0.00 0.00 0.00 173.10 171.54 2kfw s GLY 186 N -2.40 1.41 0.00 0.00 0.00 -1.26 -4.88 107.32 100.20 2kfw s GLY 186 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2kfw s GLY 186 CO 0.00 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.05 2kfw n GLY 187 N -0.08 0.52 2.81 0.20 0.00 -1.26 -4.86 105.19 102.52 2kfw n GLY 187 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2kfw n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kfw n LYS 188 N 0.00 -2.63 0.00 1.61 5.02 -1.26 -3.96 118.16 116.93 2kfw n LYS 188 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2kfw n LYS 188 Cb 0.00 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kfw n GLY 189 N -0.68 1.18 7.00 0.72 0.00 -1.26 -5.05 105.19 107.10 2kfw n GLY 189 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.18 -1.66 -2.83 1.61 4.13 -1.25 -4.92 115.26 112.51 2kfw n ASN 190 Ca 0.00 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.26 2kfw n ASN 190 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kfw n GLY 191 N 0.00 -1.12 0.00 7.41 0.00 -1.26 -5.03 105.19 105.19 2kfw n GLY 191 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.59 2.49 3.28 -0.02 0.00 -1.26 -5.14 105.19 102.95 2kfw n GLY 192 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 1.94 -0.80 3.83 0.00 0.00 -1.26 -5.10 105.19 103.79 2kfw n GLY 194 Ca -0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32