#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 2.60 0.77 3.17 -0.14 -1.26 -4.92 119.74 119.96 2kfw s LYS 2 Ca 0.00 -1.25 -0.16 0.00 -1.36 0.00 0.00 55.97 53.21 2kfw s LYS 2 Cb 0.00 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.76 2kfw s LYS 2 CO 0.00 0.37 0.46 1.55 -0.76 0.00 0.00 175.35 176.97 2kfw n VAL 3 N -1.05 1.37 -3.66 3.17 3.14 -1.26 -4.90 118.33 115.14 2kfw n VAL 3 Ca -0.07 -0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 60.82 2kfw n VAL 3 Cb 0.59 -0.68 -0.06 0.00 -1.06 0.00 0.00 33.84 32.62 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 -2.00 -1.04 0.00 1.55 0.00 -1.26 -4.52 121.76 114.49 2kfw s ALA 4 Ca 0.63 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2kfw s ALA 4 Cb -0.32 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2kfw s ALA 4 CO 0.61 -0.45 0.72 1.63 0.00 0.00 0.00 175.76 178.27 2kfw n LYS 5 N 0.52 0.00 -0.58 0.00 4.76 -1.26 -2.44 118.16 119.16 2kfw n LYS 5 Ca -0.19 0.56 -0.29 0.00 -2.87 0.00 0.00 58.31 55.53 2kfw n LYS 5 Cb 0.60 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.51 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2kfw n ASP 6 N -1.66 1.85 -3.15 4.39 5.75 -1.26 -1.85 116.55 120.62 2kfw n ASP 6 Ca 0.00 -2.39 0.04 0.00 -0.01 0.00 0.00 54.79 52.44 2kfw n ASP 6 Cb 0.00 -0.76 -0.01 0.00 -1.03 0.00 0.00 41.12 39.32 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kfw s LEU 7 N 0.31 -1.17 0.30 -2.12 1.02 -1.02 -3.83 118.68 112.17 2kfw s LEU 7 Ca 0.43 0.66 -0.30 0.00 0.02 0.00 0.00 54.13 54.95 2kfw s LEU 7 Cb 0.10 1.95 -0.12 0.00 0.02 0.00 0.00 46.19 48.14 2kfw s LEU 7 CO 0.13 -0.22 1.50 0.55 0.02 0.00 0.00 176.35 178.34 2kfw n VAL 8 N 5.43 1.30 -3.68 -1.59 3.14 0.30 -3.32 118.33 119.91 2kfw n VAL 8 Ca -0.02 -0.33 -0.16 0.00 -2.96 0.00 0.00 64.34 60.88 2kfw n VAL 8 Cb 0.52 -1.82 -0.15 0.00 -1.06 0.00 0.00 33.84 31.32 2kfw n VAL 8 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2kfw s VAL 9 N -0.35 -0.22 -0.42 1.55 1.01 0.86 -1.17 120.40 121.66 2kfw s VAL 9 Ca 0.62 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 2kfw s VAL 9 Cb -0.53 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2kfw s VAL 9 CO 0.53 0.13 0.75 -0.44 0.00 0.00 0.00 175.10 176.08 2kfw s SER 10 N 2.09 6.43 -0.26 3.32 0.01 -1.19 -3.05 113.70 121.03 2kfw s SER 10 Ca 0.01 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2kfw s SER 10 Cb -0.12 -2.37 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2kfw s SER 10 CO -0.06 -0.83 -0.08 -0.76 0.41 0.00 0.00 173.24 171.93 2kfw s LEU 11 N 3.13 3.42 0.05 2.44 1.02 -1.24 -0.61 118.68 126.88 2kfw s LEU 11 Ca 0.29 -1.19 -0.18 0.00 0.02 0.00 0.00 54.13 53.07 2kfw s LEU 11 Cb -0.13 -1.61 -0.06 0.00 0.02 0.00 0.00 46.19 44.40 2kfw s LEU 11 CO 0.20 -0.18 0.51 0.00 0.02 0.00 0.00 176.35 176.90 2kfw s ALA 12 N 1.21 3.63 -0.08 4.21 0.00 -0.85 -4.21 121.76 125.66 2kfw s ALA 12 Ca -0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 2kfw s ALA 12 Cb -0.19 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.44 2kfw s ALA 12 CO -0.04 0.42 0.54 1.52 0.00 0.00 0.00 175.76 178.19 2kfw s TYR 13 N -1.08 -0.50 -0.13 0.00 1.13 -1.16 -0.63 117.35 114.98 2kfw s TYR 13 Ca 0.27 0.98 -0.05 0.00 -1.41 0.00 0.00 57.07 56.86 2kfw s TYR 13 Cb -0.18 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 2kfw s TYR 13 CO 0.17 -0.46 0.04 -1.14 -2.51 0.00 0.00 175.55 171.65 2kfw s GLN 14 N -0.81 3.43 -0.14 -3.49 0.74 -1.09 -0.84 119.66 117.45 2kfw s GLN 14 Ca -0.09 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 2kfw s GLN 14 Cb -0.03 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 2kfw s GLN 14 CO 0.06 0.54 -0.08 0.08 -0.55 0.00 0.00 175.29 175.33 2kfw s VAL 15 N -0.40 3.47 -0.01 1.34 1.01 0.57 -2.74 120.40 123.64 2kfw s VAL 15 Ca 0.09 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2kfw s VAL 15 Cb -0.12 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2kfw s VAL 15 CO 0.02 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.57 2kfw s ARG 16 N 0.33 0.57 0.39 2.72 3.03 -0.90 -0.91 118.95 124.18 2kfw s ARG 16 Ca -0.07 -0.20 -0.14 0.00 2.03 0.00 0.00 55.73 57.35 2kfw s ARG 16 Cb -0.15 -0.56 -0.08 0.00 -1.03 0.00 0.00 34.95 33.13 2kfw s ARG 16 CO 0.04 0.09 0.80 0.95 -1.13 0.00 0.00 175.30 176.06 2kfw s THR 17 N 0.06 4.67 0.59 4.99 -4.23 0.16 -3.12 115.64 118.77 2kfw s THR 17 Ca -0.00 0.92 0.29 0.00 -1.18 0.00 0.00 61.69 61.71 2kfw s THR 17 Cb -0.05 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.51 2kfw s THR 17 CO -0.00 -0.39 1.81 -0.08 -0.54 0.00 0.00 174.62 175.41 2kfw h GLU 18 N 1.67 0.00 0.00 3.99 4.81 -1.89 0.61 114.58 123.77 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 0.00 -0.40 -0.73 0.00 0.00 179.01 178.52 2kfw n ASP 19 N -3.61 0.00 -0.06 1.04 5.75 -1.26 -4.80 116.55 113.61 2kfw n ASP 19 Ca 0.10 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 2kfw n ASP 19 Cb 0.80 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfw n GLY 20 N -0.54 1.08 3.38 6.12 0.00 0.21 -5.08 105.19 110.36 2kfw n GLY 20 Ca 0.03 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.11 2.17 -0.35 1.61 1.01 -1.18 -4.92 120.40 116.62 2kfw s VAL 21 Ca 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.02 2kfw s VAL 21 Cb 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2kfw s VAL 21 CO 0.00 -0.02 0.34 -0.76 0.00 0.00 0.00 175.10 174.66 2kfw s LEU 22 N -2.26 4.52 -0.15 3.92 1.02 -1.26 0.40 118.68 124.88 2kfw s LEU 22 Ca 0.15 -0.33 -0.21 0.00 0.02 0.00 0.00 54.13 53.75 2kfw s LEU 22 Cb -0.09 -2.30 -0.24 0.00 0.02 0.00 0.00 46.19 43.58 2kfw s LEU 22 CO 0.07 -0.35 0.51 0.58 0.02 0.00 0.00 176.35 177.18 2kfw h VAL 23 N 5.55 1.21 -3.78 -1.59 2.07 -1.38 -3.46 116.25 114.87 2kfw h VAL 23 Ca -0.30 -2.32 -0.16 0.00 0.82 0.00 0.00 66.70 64.75 2kfw h VAL 23 Cb 1.14 2.75 -0.21 0.00 -1.52 0.00 0.00 31.29 33.45 2kfw h VAL 23 CO 0.69 0.55 -0.61 -1.81 0.02 0.00 0.00 177.57 176.42 2kfw s ASP 24 N -6.76 0.15 -0.15 0.57 1.01 -1.19 -4.99 116.67 105.31 2kfw s ASP 24 Ca -0.22 -0.38 -0.06 0.00 0.71 0.00 0.00 52.55 52.59 2kfw s ASP 24 Cb 0.03 0.15 0.07 0.00 1.01 0.00 0.00 42.92 44.17 2kfw s ASP 24 CO 0.69 -0.34 0.33 -1.83 0.21 0.00 0.00 175.17 174.24 2kfw s GLU 25 N -1.46 0.26 -0.33 8.23 -1.05 -1.26 0.21 118.70 123.30 2kfw s GLU 25 Ca -0.15 0.78 -0.06 0.00 -0.15 0.00 0.00 54.97 55.39 2kfw s GLU 25 Cb -0.09 0.04 0.04 0.00 -0.44 0.00 0.00 34.13 33.68 2kfw s GLU 25 CO -0.00 -0.22 0.09 0.45 0.95 0.00 0.00 175.26 176.53 2kfw s SER 26 N 1.96 5.22 0.77 0.83 0.15 -0.02 -4.96 113.70 117.65 2kfw s SER 26 Ca -0.04 -1.09 -0.11 0.00 0.70 0.00 0.00 55.95 55.41 2kfw s SER 26 Cb -0.11 -1.85 0.05 0.00 -1.71 0.00 0.00 66.02 62.40 2kfw s SER 26 CO -0.11 -0.30 1.08 -2.16 1.20 0.00 0.00 173.24 172.96 2kfw s PRO 27 N 1.40 2.33 0.51 5.44 0.04 -1.26 -2.99 135.00 140.47 2kfw s PRO 27 Ca -0.01 0.93 0.30 0.00 0.04 0.00 0.00 61.00 62.26 2kfw s PRO 27 Cb -0.19 -1.92 1.17 0.00 0.04 0.00 0.00 34.50 33.59 2kfw s PRO 27 CO 0.02 -1.52 1.91 -0.24 0.04 0.00 0.00 177.00 177.22 2kfw h VAL 28 N -1.03 0.19 0.00 -0.36 3.04 -1.98 -1.54 116.25 114.58 2kfw h VAL 28 Ca -0.45 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2kfw h VAL 28 Cb 1.24 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 2kfw h VAL 28 CO 0.55 0.07 -0.29 -1.28 -1.01 0.00 0.00 177.57 175.62 2kfw h SER 29 N 0.00 0.00 -0.93 3.17 0.87 -2.04 -3.36 113.55 111.26 2kfw h SER 29 Ca -0.00 -0.05 -0.35 0.00 -1.23 0.00 0.00 61.79 60.16 2kfw h SER 29 Cb 0.61 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.19 2kfw h SER 29 CO 0.01 0.02 -1.13 0.00 -0.53 0.00 0.00 176.83 175.21 2kfw n ALA 30 N -1.95 3.20 -1.44 6.23 0.00 -0.99 -5.11 120.51 120.45 2kfw n ALA 30 Ca 0.04 -2.97 -0.30 0.00 0.00 0.00 0.00 53.44 50.21 2kfw n ALA 30 Cb 0.48 -0.95 0.10 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.82 1.87 -0.66 0.00 0.04 -0.61 -4.37 135.00 128.45 2kfw s PRO 31 Ca 0.27 0.71 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 2kfw s PRO 31 Cb 0.45 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 33.18 2kfw s PRO 31 CO 0.03 -1.79 0.95 -0.51 0.04 0.00 0.00 177.00 175.71 2kfw s LEU 32 N -5.90 4.48 -0.11 -3.56 1.43 -1.26 -4.91 118.68 108.84 2kfw s LEU 32 Ca 0.61 -1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 2kfw s LEU 32 Cb -0.15 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2kfw s LEU 32 CO 0.55 -1.41 0.87 -0.62 0.23 0.00 0.00 176.35 175.97 2kfw s ASP 33 N 3.68 7.10 0.23 2.29 2.15 -1.26 -3.69 116.67 127.16 2kfw s ASP 33 Ca 0.21 1.34 -0.22 0.00 0.43 0.00 0.00 52.55 54.31 2kfw s ASP 33 Cb -0.17 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2kfw s ASP 33 CO 0.09 -0.33 0.74 -0.31 -0.17 0.00 0.00 175.17 175.19 2kfw s TYR 34 N 1.68 -0.25 0.26 -5.34 2.02 -1.17 -4.89 117.35 109.66 2kfw s TYR 34 Ca 0.43 -0.14 -0.25 0.00 -0.37 0.00 0.00 57.07 56.74 2kfw s TYR 34 Cb -0.18 0.67 -0.09 0.00 -0.40 0.00 0.00 41.96 41.96 2kfw s TYR 34 CO 0.17 -1.09 0.86 -0.51 -1.57 0.00 0.00 175.55 173.42 2kfw s LEU 35 N -2.88 4.43 0.39 -1.29 1.02 -1.26 -0.10 118.68 119.00 2kfw s LEU 35 Ca 0.09 1.71 -0.27 0.00 0.02 0.00 0.00 54.13 55.68 2kfw s LEU 35 Cb -0.04 -3.73 -0.10 0.00 0.02 0.00 0.00 46.19 42.34 2kfw s LEU 35 CO 0.02 0.04 1.44 -2.28 0.02 0.00 0.00 176.35 175.59 2kfw s HIS 36 N -1.45 2.61 -0.96 0.29 5.65 -0.77 -1.18 115.29 119.48 2kfw s HIS 36 Ca 0.45 1.23 0.00 0.00 0.25 0.00 0.00 55.06 56.99 2kfw s HIS 36 Cb -0.20 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.26 2kfw s HIS 36 CO 0.25 -2.81 0.00 0.41 -0.65 0.00 0.00 174.74 171.93 2kfw n GLY 37 N 0.54 0.88 2.89 1.59 0.00 -1.26 -4.16 105.19 105.67 2kfw n GLY 37 Ca 0.02 -0.02 -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 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 38 N -1.81 3.07 0.00 1.61 4.02 -0.32 -4.62 115.29 117.25 2kfw s HIS 38 Ca 0.00 -3.10 0.00 0.00 1.02 0.00 0.00 55.06 52.98 2kfw s HIS 38 Cb 0.00 -2.62 0.00 0.00 -1.02 0.00 0.00 32.58 28.94 2kfw s HIS 38 CO 0.00 -0.70 0.00 0.41 1.02 0.00 0.00 174.74 175.47 2kfw n GLY 39 N 2.86 0.50 3.01 -2.22 0.00 -1.26 -4.24 105.19 103.84 2kfw n GLY 39 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -4.54 0.00 1.61 2.88 -1.26 -5.01 113.62 107.30 2kfw n SER 40 Ca 0.00 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2kfw n SER 40 Cb 0.00 -3.90 0.00 0.00 -0.75 0.00 0.00 64.21 59.56 2kfw n SER 40 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kfw n LEU 41 N -3.75 0.00 -4.61 2.46 7.94 -1.26 -4.84 117.00 112.95 2kfw n LEU 41 Ca -0.04 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.45 2kfw n LEU 41 Cb 0.56 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.45 2kfw n LEU 41 CO 0.48 0.00 0.41 -0.63 -1.11 0.00 0.00 177.39 176.54 2kfw s ILE 42 N 0.00 4.93 0.08 1.96 1.01 -1.26 -4.87 121.20 123.04 2kfw s ILE 42 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 60.65 61.43 2kfw s ILE 42 Cb 0.00 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 2kfw s ILE 42 CO 0.00 -0.10 1.56 -1.28 0.00 0.00 0.00 174.94 175.12 2kfw h SER 43 N 8.09 0.28 -0.63 3.58 0.87 -1.81 1.15 113.55 125.08 2kfw h SER 43 Ca -0.26 -0.24 0.07 0.00 -1.23 0.00 0.00 61.79 60.12 2kfw h SER 43 Cb 1.12 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2kfw h SER 43 CO 0.80 0.45 0.42 1.23 -0.53 0.00 0.00 176.83 179.20 2kfw h GLY 44 N 0.10 0.77 1.05 5.77 0.00 -1.92 -2.25 103.07 106.59 2kfw h GLY 44 Ca 0.06 -0.24 -0.31 0.00 0.00 0.00 0.00 47.33 46.83 2kfw h GLY 44 CO 0.00 0.18 -1.67 -2.00 0.00 0.00 0.00 176.54 173.05 2kfw h LEU 45 N 0.61 0.30 -0.07 3.11 7.12 -1.85 -3.36 115.31 121.17 2kfw h LEU 45 Ca 0.27 -0.51 0.04 0.00 0.13 0.00 0.00 57.88 57.81 2kfw h LEU 45 Cb 0.30 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 2kfw h LEU 45 CO -0.08 1.44 -0.38 -0.33 -0.13 0.00 0.00 178.44 178.95 2kfw h GLU 46 N 0.05 -0.48 -0.63 1.25 5.08 0.19 -1.27 114.58 118.78 2kfw h GLU 46 Ca -0.29 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2kfw h GLU 46 Cb 2.02 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 31.26 2kfw h GLU 46 CO 0.13 -0.32 -0.12 1.79 -1.00 0.00 0.00 179.01 179.49 2kfw h THR 47 N -0.50 0.40 0.00 1.13 1.35 -1.64 0.84 112.91 114.49 2kfw h THR 47 Ca 0.07 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2kfw h THR 47 Cb 0.61 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2kfw h THR 47 CO -0.34 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 174.93 2kfw h ALA 48 N 1.61 1.39 -0.26 6.62 0.00 -1.44 -1.84 119.26 125.34 2kfw h ALA 48 Ca 0.31 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 2kfw h ALA 48 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kfw h ALA 48 CO -0.62 0.00 -0.59 1.25 0.00 0.00 0.00 179.25 179.29 2kfw h LEU 49 N 0.00 0.97 -9.67 0.00 6.46 0.18 -3.40 115.31 109.84 2kfw h LEU 49 Ca -0.00 -0.54 -0.52 0.00 -0.12 0.00 0.00 57.88 56.70 2kfw h LEU 49 Cb 0.01 -0.28 0.06 0.00 -0.73 0.00 0.00 40.66 39.71 2kfw h LEU 49 CO 0.00 1.34 0.90 -0.70 -0.62 0.00 0.00 178.44 179.36 2kfw s GLU 50 N -4.06 4.18 -0.78 1.25 2.12 -0.69 -2.34 118.70 118.39 2kfw s GLU 50 Ca -0.10 2.45 -0.05 0.00 0.36 0.00 0.00 54.97 57.63 2kfw s GLU 50 Cb 0.10 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.39 2kfw s GLU 50 CO 0.89 -0.62 0.68 0.41 -0.54 0.00 0.00 175.26 176.08 2kfw n GLY 51 N 3.36 0.08 0.00 -1.50 0.00 -1.26 -4.99 105.19 100.88 2kfw n GLY 51 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kfw n GLY 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 52 N -3.88 0.00 -3.65 1.61 -0.00 -0.99 -5.01 115.22 103.31 2kfw n HIS 52 Ca -0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.16 2kfw n HIS 52 Cb 0.54 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.34 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2kfw s GLU 53 N 3.45 0.17 -0.06 1.57 2.02 -1.26 -4.91 118.70 119.68 2kfw s GLU 53 Ca 0.00 0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.95 2kfw s GLU 53 Cb 0.00 0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.23 2kfw s GLU 53 CO 0.00 -0.03 1.72 0.54 0.02 0.00 0.00 175.26 177.51 2kfw s VAL 54 N 0.73 3.49 0.00 2.63 0.11 -1.26 -1.46 120.40 124.64 2kfw s VAL 54 Ca -0.03 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2kfw s VAL 54 Cb -0.04 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2kfw s VAL 54 CO -0.12 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 2kfw n GLY 55 N 4.31 1.16 3.78 6.54 0.00 0.47 -4.92 105.19 116.53 2kfw n GLY 55 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.71 7.02 -0.01 1.61 2.15 -0.54 -4.78 116.67 120.42 2kfw s ASP 56 Ca 0.00 1.22 -0.02 0.00 0.43 0.00 0.00 52.55 54.18 2kfw s ASP 56 Cb 0.00 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 2kfw s ASP 56 CO 0.00 0.16 0.14 -1.59 -0.17 0.00 0.00 175.17 173.70 2kfw s LYS 57 N -0.52 3.27 -0.06 4.34 -2.85 -1.26 -2.20 119.74 120.47 2kfw s LYS 57 Ca 0.31 -0.39 -0.01 0.00 -1.00 0.00 0.00 55.97 54.88 2kfw s LYS 57 Cb -0.19 -2.99 0.03 0.00 -2.06 0.00 0.00 37.83 32.62 2kfw s LYS 57 CO 0.18 0.67 0.01 0.12 0.10 0.00 0.00 175.35 176.43 2kfw s PHE 58 N -1.25 0.52 -0.16 1.78 2.19 0.19 -4.96 117.98 116.29 2kfw s PHE 58 Ca 0.25 -0.07 -0.22 0.00 0.33 0.00 0.00 56.93 57.21 2kfw s PHE 58 Cb -0.12 -0.71 -0.02 0.00 -1.31 0.00 0.00 43.02 40.85 2kfw s PHE 58 CO 0.16 -0.28 0.69 0.16 1.83 0.00 0.00 175.22 177.78 2kfw s ASP 59 N 1.93 6.82 -0.09 6.13 -4.77 -1.26 -1.47 116.67 123.95 2kfw s ASP 59 Ca 0.04 1.00 -0.03 0.00 -3.30 0.00 0.00 52.55 50.25 2kfw s ASP 59 Cb -0.12 -2.39 0.04 0.00 -1.09 0.00 0.00 42.92 39.36 2kfw s ASP 59 CO -0.04 -0.27 0.06 -0.69 0.70 0.00 0.00 175.17 174.93 2kfw s VAL 60 N 1.71 -0.02 0.05 2.11 1.01 -1.14 -5.00 120.40 119.12 2kfw s VAL 60 Ca 0.33 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2kfw s VAL 60 Cb -0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2kfw s VAL 60 CO 0.12 0.02 1.13 0.00 0.00 0.00 0.00 175.10 176.37 2kfw s ALA 61 N 2.12 3.32 -0.28 5.51 0.00 -1.26 -3.80 121.76 127.37 2kfw s ALA 61 Ca 0.04 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 2kfw s ALA 61 Cb -0.14 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 19.74 2kfw s ALA 61 CO -0.05 -0.37 1.28 0.54 0.00 0.00 0.00 175.76 177.16 2kfw s VAL 62 N 1.01 0.00 0.00 0.00 0.11 0.03 -4.98 120.40 116.57 2kfw s VAL 62 Ca 0.57 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 2kfw s VAL 62 Cb -0.27 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2kfw s VAL 62 CO 0.29 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 2kfw n GLY 63 N 1.67 -1.68 0.06 6.54 0.00 -1.25 -3.47 105.19 107.07 2kfw n GLY 63 Ca -0.10 0.47 0.14 0.00 0.00 0.00 0.00 46.02 46.53 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 64 N -1.32 2.83 0.10 4.61 0.00 -1.26 0.16 120.51 125.63 2kfw n ALA 64 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 2kfw n ALA 64 Cb 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 2kfw n ALA 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kfw h ASN 65 N 0.31 0.50 0.00 0.00 -0.00 -1.91 -3.34 115.58 111.13 2kfw h ASN 65 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 56.30 55.73 2kfw h ASN 65 Cb 0.43 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 2kfw h ASN 65 CO 0.00 1.45 0.00 0.47 -0.00 0.00 0.00 177.43 179.35 2kfw n ASP 66 N -3.55 -0.57 0.00 1.15 8.00 -1.24 -4.80 116.55 115.54 2kfw n ASP 66 Ca -0.12 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2kfw n ASP 66 Cb 1.04 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 43.06 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 -2.64 -0.00 0.87 2.24 0.00 -1.20 -3.42 120.51 116.36 2kfw n ALA 67 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2kfw n ALA 67 Cb 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.05 0.00 -4.43 0.00 4.02 0.31 -4.58 117.16 111.43 2kfw n TYR 68 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 2kfw n TYR 68 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.18 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kfw n GLY 69 N 1.47 -0.35 2.43 2.72 0.00 0.41 -3.09 105.19 108.79 2kfw n GLY 69 Ca 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2kfw n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 70 N -4.03 -3.52 -2.75 1.61 6.02 -1.26 -4.83 117.38 108.63 2kfw n GLN 70 Ca 0.05 2.78 -0.42 0.00 -0.01 0.00 0.00 57.00 59.40 2kfw n GLN 70 Cb 0.47 -4.46 -0.03 0.00 1.02 0.00 0.00 30.24 27.25 2kfw n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kfw s TYR 71 N -0.81 3.41 0.13 1.08 -0.85 -1.18 -4.67 117.35 114.46 2kfw s TYR 71 Ca -0.16 1.43 -0.07 0.00 -0.52 0.00 0.00 57.07 57.74 2kfw s TYR 71 Cb 0.01 -3.16 -0.06 0.00 0.38 0.00 0.00 41.96 39.13 2kfw s TYR 71 CO 0.66 -0.33 0.40 0.34 -1.52 0.00 0.00 175.55 175.10 2kfw s ASP 72 N 1.17 6.56 0.00 -0.18 -1.08 -1.26 -4.46 116.67 117.42 2kfw s ASP 72 Ca 0.43 0.70 0.09 0.00 -0.52 0.00 0.00 52.55 53.26 2kfw s ASP 72 Cb -0.16 -2.14 0.45 0.00 -1.46 0.00 0.00 42.92 39.61 2kfw s ASP 72 CO 0.11 0.09 1.22 -0.62 0.52 0.00 0.00 175.17 176.49 2kfw n GLU 73 N 0.39 0.09 0.15 4.34 4.71 -1.26 -2.03 120.64 127.03 2kfw n GLU 73 Ca -0.04 0.24 -0.00 0.00 -0.01 0.00 0.00 57.16 57.35 2kfw n GLU 73 Cb 0.52 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.67 2kfw n GLU 73 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2kfw h ASN 74 N 0.00 0.00 -3.29 1.62 2.35 -1.95 -3.33 115.58 110.98 2kfw h ASN 74 Ca 0.00 -0.00 -0.72 0.00 -0.55 0.00 0.00 56.30 55.03 2kfw h ASN 74 Cb 0.11 -0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.14 2kfw h ASN 74 CO 0.00 0.55 0.02 0.00 -1.65 0.00 0.00 177.43 176.35 2kfw n LEU 75 N -3.89 4.50 -4.49 1.61 -0.00 -0.86 -5.07 117.00 108.80 2kfw n LEU 75 Ca -0.01 -5.13 -0.35 0.00 -0.00 0.00 0.00 56.01 50.51 2kfw n LEU 75 Cb 0.56 -1.15 0.09 0.00 -0.00 0.00 0.00 43.42 42.92 2kfw n LEU 75 CO 0.41 1.56 0.16 1.33 -0.00 0.00 0.00 177.39 180.84 2kfw n VAL 76 N 2.25 1.52 -4.61 1.47 0.24 -1.25 -4.84 118.33 113.12 2kfw n VAL 76 Ca 0.23 -0.33 -0.29 0.00 -2.04 0.00 0.00 64.34 61.91 2kfw n VAL 76 Cb 0.37 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 31.85 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2kfw s GLN 77 N -3.16 2.06 -0.27 7.34 -1.52 -1.18 -4.95 119.66 117.98 2kfw s GLN 77 Ca 0.65 -2.18 -0.08 0.00 -1.95 0.00 0.00 55.36 51.81 2kfw s GLN 77 Cb -0.31 -1.64 -0.02 0.00 -0.22 0.00 0.00 33.01 30.81 2kfw s GLN 77 CO 0.58 -0.16 0.09 -0.98 -0.25 0.00 0.00 175.29 174.57 2kfw s ARG 78 N -3.79 3.52 -0.03 2.91 1.70 -1.26 -1.95 118.95 120.06 2kfw s ARG 78 Ca 0.27 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2kfw s ARG 78 Cb 0.07 -3.39 0.03 0.00 -0.57 0.00 0.00 34.95 31.08 2kfw s ARG 78 CO 0.14 -0.27 0.00 0.08 -1.08 0.00 0.00 175.30 174.17 2kfw s VAL 79 N 1.61 0.16 0.84 4.99 1.01 0.51 -4.89 120.40 124.62 2kfw s VAL 79 Ca 0.06 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2kfw s VAL 79 Cb -0.16 -0.25 0.10 0.00 0.00 0.00 0.00 36.38 36.07 2kfw s VAL 79 CO 0.04 0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.22 2kfw s PRO 80 N 1.01 1.69 0.00 2.72 0.04 -1.26 -2.81 135.00 136.39 2kfw s PRO 80 Ca -0.10 0.66 0.17 0.00 0.04 0.00 0.00 61.00 61.77 2kfw s PRO 80 Cb -0.14 -1.87 0.90 0.00 0.04 0.00 0.00 34.50 33.43 2kfw s PRO 80 CO -0.02 -1.90 1.51 0.36 0.04 0.00 0.00 177.00 176.99 2kfw n LYS 81 N -3.63 0.28 -0.04 4.56 2.85 -1.26 -3.30 118.16 117.62 2kfw n LYS 81 Ca 0.07 0.11 0.24 0.00 -1.05 0.00 0.00 58.31 57.68 2kfw n LYS 81 Cb 0.56 -1.50 0.72 0.00 -0.65 0.00 0.00 35.03 34.16 2kfw n LYS 81 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2kfw h ASP 82 N 0.00 0.00 -0.10 -5.58 1.82 -1.91 0.18 116.42 110.84 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kfw h ASP 82 Cb 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2kfw h ASP 82 CO 0.00 0.00 0.00 0.55 -1.61 0.00 0.00 179.24 178.18 2kfw n VAL 83 N -3.92 1.27 0.02 2.25 3.14 -1.21 -4.73 118.33 115.16 2kfw n VAL 83 Ca 0.13 -1.31 -0.07 0.00 -2.96 0.00 0.00 64.34 60.13 2kfw n VAL 83 Cb 0.81 0.30 -0.05 0.00 -1.06 0.00 0.00 33.84 33.84 2kfw n VAL 83 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 2kfw h PHE 84 N 0.58 -0.15 -4.23 1.45 -1.00 -0.80 -3.50 116.94 109.29 2kfw h PHE 84 Ca 0.00 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.78 2kfw h PHE 84 Cb 0.72 0.05 -0.08 0.00 3.61 0.00 0.00 35.95 40.25 2kfw h PHE 84 CO 0.09 0.20 -1.01 -0.12 -1.61 0.00 0.00 178.31 175.86 2kfw n MET 85 N -4.86 -2.97 0.00 1.51 1.56 -1.25 -4.67 117.12 106.45 2kfw n MET 85 Ca -0.05 2.41 0.00 0.00 -0.27 0.00 0.00 57.70 59.78 2kfw n MET 85 Cb 0.21 -3.57 0.00 0.00 2.15 0.00 0.00 33.22 32.00 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 1.09 0.51 0.00 -5.12 0.00 -1.26 -4.75 105.19 95.67 2kfw n GLY 86 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2kfw n GLY 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2kfw n VAL 87 N -1.36 0.00 -1.02 1.61 3.14 -1.26 -4.71 118.33 114.73 2kfw n VAL 87 Ca 0.00 0.60 -0.01 0.00 -2.96 0.00 0.00 64.34 61.97 2kfw n VAL 87 Cb 0.00 -1.31 -0.00 0.00 -1.06 0.00 0.00 33.84 31.46 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kfw n ASP 88 N -0.16 -5.90 0.00 6.55 2.03 -1.26 -4.79 116.55 113.03 2kfw n ASP 88 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kfw n ASP 88 Cb 0.00 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.95 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 0.79 0.00 -3.78 -0.67 1.02 -1.26 -5.17 120.64 111.57 2kfw n GLU 89 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kfw n GLU 89 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.76 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 1.14 -0.04 -4.62 1.43 -1.26 -5.10 118.68 110.23 2kfw s LEU 90 Ca 0.00 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2kfw s LEU 90 Cb 0.00 0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.33 2kfw s LEU 90 CO 0.00 -0.11 -0.18 -1.10 0.23 0.00 0.00 176.35 175.19 2kfw s GLN 91 N 0.86 1.74 0.18 1.70 -0.21 -1.26 -5.09 119.66 117.58 2kfw s GLN 91 Ca -0.07 -0.64 -0.32 0.00 0.02 0.00 0.00 55.36 54.35 2kfw s GLN 91 Cb -0.10 -1.56 -0.11 0.00 1.00 0.00 0.00 33.01 32.25 2kfw s GLN 91 CO -0.03 0.30 1.61 0.14 -2.12 0.00 0.00 175.29 175.19 2kfw s VAL 92 N -0.11 2.43 0.00 1.09 -7.23 -1.26 -1.40 120.40 113.92 2kfw s VAL 92 Ca -0.01 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2kfw s VAL 92 Cb -0.10 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.64 2kfw s VAL 92 CO 0.01 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2kfw n GLY 93 N 3.78 1.12 3.88 2.32 0.00 0.12 -4.93 105.19 111.48 2kfw n GLY 93 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.53 3.68 -0.15 1.61 0.00 -0.49 -4.86 119.30 118.57 2kfw s MET 94 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 55.69 55.55 2kfw s MET 94 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 34.83 31.77 2kfw s MET 94 CO 0.00 0.59 0.58 -0.98 0.00 0.00 0.00 175.02 175.20 2kfw s ARG 95 N -1.89 4.30 0.32 4.11 1.70 -1.26 -1.58 118.95 124.64 2kfw s ARG 95 Ca 0.31 0.58 0.09 0.00 -0.47 0.00 0.00 55.73 56.24 2kfw s ARG 95 Cb -0.14 -3.50 -0.05 0.00 -0.57 0.00 0.00 34.95 30.69 2kfw s ARG 95 CO 0.18 -0.03 0.04 0.12 -1.08 0.00 0.00 175.30 174.52 2kfw s PHE 96 N 1.22 2.62 -0.14 5.89 5.36 -1.10 -4.95 117.98 126.88 2kfw s PHE 96 Ca 0.29 -0.37 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2kfw s PHE 96 Cb -0.16 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.07 2kfw s PHE 96 CO 0.12 0.48 -0.14 -1.17 -1.46 0.00 0.00 175.22 173.05 2kfw s LEU 97 N -3.74 2.61 -0.16 6.12 2.96 -1.26 -0.89 118.68 124.32 2kfw s LEU 97 Ca 0.35 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2kfw s LEU 97 Cb -0.02 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2kfw s LEU 97 CO 0.20 0.12 0.06 0.00 -1.32 0.00 0.00 176.35 175.42 2kfw s ALA 98 N 0.60 3.45 -0.25 5.97 0.00 -0.26 -4.94 121.76 126.33 2kfw s ALA 98 Ca -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2kfw s ALA 98 Cb -0.16 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.17 2kfw s ALA 98 CO 0.03 0.30 -0.10 -2.00 0.00 0.00 0.00 175.76 173.99 2kfw s GLU 99 N -0.01 2.14 0.46 0.00 2.12 -1.26 0.65 118.70 122.80 2kfw s GLU 99 Ca 0.06 -1.24 0.01 0.00 0.36 0.00 0.00 54.97 54.15 2kfw s GLU 99 Cb -0.12 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.46 2kfw s GLU 99 CO 0.01 -0.56 0.02 -2.37 -0.54 0.00 0.00 175.26 171.83 2kfw n THR 100 N 4.49 0.00 0.22 -1.70 5.66 -1.25 -4.92 114.28 116.78 2kfw n THR 100 Ca -0.14 -2.27 0.10 0.00 -3.05 0.00 0.00 64.05 58.69 2kfw n THR 100 Cb 0.43 0.52 0.43 0.00 -1.55 0.00 0.00 70.33 70.16 2kfw n THR 100 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kfw h ASP 101 N 1.22 0.00 -0.22 1.09 1.82 -1.99 -2.76 116.42 115.58 2kfw h ASP 101 Ca -0.38 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2kfw h ASP 101 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2kfw h ASP 101 CO 0.63 0.23 0.00 0.00 -1.61 0.00 0.00 179.24 178.49 2kfw n GLN 102 N -3.38 2.28 0.00 0.28 10.64 -1.26 -4.95 117.38 120.99 2kfw n GLN 102 Ca 0.00 -1.10 0.00 0.00 -1.83 0.00 0.00 57.00 54.07 2kfw n GLN 102 Cb 0.45 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 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 0.33 2.18 3.78 2.61 0.00 -1.04 -5.00 105.19 108.05 2kfw n GLY 103 Ca 0.10 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.02 3.88 -0.04 1.61 0.04 -1.26 -3.88 135.00 130.34 2kfw s PRO 104 Ca 0.00 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 2kfw s PRO 104 Cb 0.00 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2kfw s PRO 104 CO 0.00 -0.40 0.08 0.14 0.04 0.00 0.00 177.00 176.87 2kfw s VAL 105 N -1.72 -0.03 0.08 -0.36 -7.23 0.21 -4.94 120.40 106.41 2kfw s VAL 105 Ca 0.63 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.60 2kfw s VAL 105 Cb -0.23 -0.14 -0.06 0.00 0.56 0.00 0.00 36.38 36.52 2kfw s VAL 105 CO 0.27 0.04 1.24 -2.16 -0.31 0.00 0.00 175.10 174.18 2kfw s PRO 106 N 0.61 4.41 0.49 4.82 0.04 -1.26 -1.11 135.00 143.00 2kfw s PRO 106 Ca -0.05 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2kfw s PRO 106 Cb -0.07 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 2kfw s PRO 106 CO -0.02 -0.29 0.14 0.14 0.04 0.00 0.00 177.00 177.01 2kfw s VAL 107 N 1.04 1.58 -0.14 -0.36 -7.23 -0.07 -3.90 120.40 111.32 2kfw s VAL 107 Ca 0.60 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2kfw s VAL 107 Cb -0.31 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.28 2kfw s VAL 107 CO 0.30 0.00 0.01 -1.61 -0.31 0.00 0.00 175.10 173.49 2kfw s GLU 108 N -3.97 0.75 -0.03 4.82 2.02 -0.55 -2.72 118.70 119.03 2kfw s GLU 108 Ca 0.22 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 2kfw s GLU 108 Cb 0.02 -1.67 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 2kfw s GLU 108 CO 0.13 -0.48 1.09 0.42 0.02 0.00 0.00 175.26 176.44 2kfw s ILE 109 N 1.87 4.50 -0.01 -1.63 1.01 -0.62 -0.79 121.20 125.54 2kfw s ILE 109 Ca 0.02 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.49 2kfw s ILE 109 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2kfw s ILE 109 CO -0.07 0.07 0.06 1.07 0.00 0.00 0.00 174.94 176.06 2kfw n THR 110 N 4.27 0.01 -3.74 2.92 5.66 -1.24 0.16 114.28 122.32 2kfw n THR 110 Ca 0.09 -0.07 -0.07 0.00 -3.05 0.00 0.00 64.05 60.95 2kfw n THR 110 Cb 0.48 0.32 0.03 0.00 -1.55 0.00 0.00 70.33 69.61 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 -1.64 -1.75 -3.38 1.79 0.00 -1.26 -4.36 120.51 109.90 2kfw n ALA 111 Ca -0.01 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 2kfw n ALA 111 Cb 0.12 0.85 -0.09 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.17 0.00 0.30 0.00 0.11 -1.26 -3.22 120.40 114.16 2kfw s VAL 112 Ca 0.15 -0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2kfw s VAL 112 Cb -0.04 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2kfw s VAL 112 CO 0.10 -0.00 0.08 -0.62 -3.33 0.00 0.00 175.10 171.33 2kfw n GLU 113 N 2.80 0.78 -2.10 1.54 1.02 0.50 -4.94 120.64 120.24 2kfw n GLU 113 Ca -0.13 -2.44 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 2kfw n GLU 113 Cb 0.57 1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 33.14 2kfw n GLU 113 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kfw s ASP 114 N -2.79 6.75 -0.26 1.62 1.11 -1.26 -2.70 116.67 119.14 2kfw s ASP 114 Ca 0.11 2.39 0.00 0.00 0.18 0.00 0.00 52.55 55.23 2kfw s ASP 114 Cb 0.01 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2kfw s ASP 114 CO 0.08 -0.72 0.00 0.47 1.18 0.00 0.00 175.17 176.18 2kfw n ASP 115 N 4.27 -1.45 -3.58 0.27 9.92 -1.26 -4.81 116.55 119.91 2kfw n ASP 115 Ca 0.13 0.34 -0.12 0.00 -0.53 0.00 0.00 54.79 54.60 2kfw n ASP 115 Cb 0.41 -1.43 -0.06 0.00 -0.64 0.00 0.00 41.12 39.41 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 -1.92 -0.49 0.24 1.24 2.46 -1.10 -4.62 115.29 111.10 2kfw s HIS 116 Ca 0.00 0.97 -0.09 0.00 0.47 0.00 0.00 55.06 56.41 2kfw s HIS 116 Cb 0.00 0.41 -0.01 0.00 -0.13 0.00 0.00 32.58 32.84 2kfw s HIS 116 CO 0.00 -0.38 0.37 0.14 -2.47 0.00 0.00 174.74 172.41 2kfw s VAL 117 N -0.69 0.00 0.22 0.89 -7.23 -1.12 0.19 120.40 112.65 2kfw s VAL 117 Ca -0.03 -1.60 0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2kfw s VAL 117 Cb -0.02 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kfw s VAL 117 CO 0.02 0.00 -0.04 0.54 -0.31 0.00 0.00 175.10 175.30 2kfw s VAL 118 N -4.00 3.35 -0.07 1.32 0.11 -1.20 0.19 120.40 120.10 2kfw s VAL 118 Ca 0.28 -1.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.25 2kfw s VAL 118 Cb 0.02 -2.73 0.09 0.00 -1.53 0.00 0.00 36.38 32.23 2kfw s VAL 118 CO 0.11 -0.25 0.79 0.54 -3.33 0.00 0.00 175.10 172.96 2kfw s VAL 119 N -2.03 0.00 -0.35 2.04 0.11 -0.82 -3.69 120.40 115.66 2kfw s VAL 119 Ca 0.28 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2kfw s VAL 119 Cb -0.08 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.87 2kfw s VAL 119 CO 0.18 0.00 0.08 -0.62 -3.33 0.00 0.00 175.10 171.40 2kfw s ASP 120 N -1.33 4.90 0.29 3.54 2.15 0.03 -3.10 116.67 123.14 2kfw s ASP 120 Ca -0.06 -1.94 0.11 0.00 0.43 0.00 0.00 52.55 51.09 2kfw s ASP 120 Cb -0.00 -1.69 -0.05 0.00 -0.30 0.00 0.00 42.92 40.87 2kfw s ASP 120 CO 0.05 -0.40 -0.16 -0.83 -0.17 0.00 0.00 175.17 173.66 2kfw s GLY 121 N 1.25 1.91 0.01 2.66 0.00 -1.26 -1.48 107.32 110.41 2kfw s GLY 121 Ca 0.06 -1.89 0.07 0.00 0.00 0.00 0.00 44.72 42.97 2kfw s GLY 121 CO -0.06 -1.95 -0.22 0.21 0.00 0.00 0.00 173.10 171.09 2kfw s ASN 122 N -3.55 3.47 0.55 1.64 2.47 -1.25 -4.60 114.94 113.67 2kfw s ASN 122 Ca 0.31 -0.44 0.09 0.00 0.42 0.00 0.00 52.86 53.23 2kfw s ASN 122 Cb -0.04 -0.49 0.07 0.00 -1.45 0.00 0.00 41.25 39.33 2kfw s ASN 122 CO 0.16 0.29 0.68 -1.00 -3.72 0.00 0.00 177.10 173.51 2kfw s HIS 123 N -0.77 1.60 0.56 0.43 3.76 -1.26 -4.75 115.29 114.85 2kfw s HIS 123 Ca 0.12 -0.72 0.36 0.00 -0.15 0.00 0.00 55.06 54.67 2kfw s HIS 123 Cb -0.10 -2.16 1.49 0.00 1.11 0.00 0.00 32.58 32.92 2kfw s HIS 123 CO 0.02 -0.92 1.74 1.98 -0.85 0.00 0.00 174.74 176.71 2kfw h MET 124 N 0.37 0.00 0.00 1.40 1.85 -1.98 -3.38 114.93 113.19 2kfw h MET 124 Ca -0.32 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 2kfw h MET 124 Cb 1.29 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.32 2kfw h MET 124 CO 0.45 0.00 0.00 -0.11 -0.40 0.00 0.00 176.91 176.85 2kfw n LEU 125 N -3.97 0.00 -4.49 3.39 -0.00 -1.26 -5.12 117.00 105.55 2kfw n LEU 125 Ca 0.24 0.00 -0.57 0.00 -0.00 0.00 0.00 56.01 55.69 2kfw n LEU 125 Cb 1.26 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.61 2kfw n LEU 125 CO 0.37 0.00 0.49 0.00 -0.00 0.00 0.00 177.39 178.25 2kfw n ALA 126 N 0.00 -3.38 0.00 1.96 0.00 -1.26 -3.36 120.51 114.47 2kfw n ALA 126 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kfw n ALA 126 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 1.63 1.72 3.17 0.00 0.00 -1.26 -4.67 105.19 105.78 2kfw n GLY 127 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.63 3.39 -0.44 1.61 1.13 -1.21 -4.51 117.38 116.71 2kfw n GLN 128 Ca 0.00 -3.52 -0.15 0.00 -1.94 0.00 0.00 57.00 51.39 2kfw n GLN 128 Cb 0.00 -3.08 -0.01 0.00 0.11 0.00 0.00 30.24 27.26 2kfw n GLN 128 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2kfw n ASN 129 N 5.38 -0.38 -4.13 1.08 6.94 -1.26 -4.70 115.26 118.19 2kfw n ASN 129 Ca 0.41 0.35 -0.11 0.00 -0.02 0.00 0.00 54.58 55.22 2kfw n ASN 129 Cb 0.40 -0.30 -0.10 0.00 -2.36 0.00 0.00 39.78 37.42 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kfw s LEU 130 N 0.92 2.44 -0.08 -4.53 1.02 -1.23 -4.72 118.68 112.50 2kfw s LEU 130 Ca 0.20 -0.88 0.03 0.00 0.02 0.00 0.00 54.13 53.51 2kfw s LEU 130 Cb -0.29 -0.05 -0.02 0.00 0.02 0.00 0.00 46.19 45.85 2kfw s LEU 130 CO 0.18 -0.41 -0.18 -0.75 0.02 0.00 0.00 176.35 175.20 2kfw s LYS 131 N -3.21 2.84 -0.02 1.70 2.20 -1.18 -0.79 119.74 121.29 2kfw s LYS 131 Ca 0.05 -0.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.76 2kfw s LYS 131 Cb 0.01 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.97 2kfw s LYS 131 CO -0.04 0.38 0.27 -0.59 -0.36 0.00 0.00 175.35 175.01 2kfw s PHE 132 N -0.12 -0.15 -0.19 4.03 -0.12 -1.25 -2.12 117.98 118.07 2kfw s PHE 132 Ca -0.03 0.24 -0.09 0.00 -0.05 0.00 0.00 56.93 56.99 2kfw s PHE 132 Cb -0.14 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 2kfw s PHE 132 CO 0.04 -0.34 0.13 1.21 -0.05 0.00 0.00 175.22 176.20 2kfw s ASN 133 N -1.18 6.23 0.09 1.98 3.04 -1.11 -2.89 114.94 121.09 2kfw s ASN 133 Ca -0.12 0.27 0.04 0.00 0.04 0.00 0.00 52.86 53.08 2kfw s ASN 133 Cb -0.05 -2.08 -0.04 0.00 -1.54 0.00 0.00 41.25 37.53 2kfw s ASN 133 CO 0.03 0.22 0.03 0.68 -3.04 0.00 0.00 177.10 175.02 2kfw s VAL 134 N 0.14 4.20 -0.05 -5.21 -7.23 -0.54 -2.68 120.40 109.02 2kfw s VAL 134 Ca 0.09 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2kfw s VAL 134 Cb -0.11 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.84 2kfw s VAL 134 CO -0.01 0.12 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.19 2kfw s GLU 135 N -2.36 0.52 0.24 4.82 -6.30 0.20 0.57 118.70 116.40 2kfw s GLU 135 Ca 0.27 0.07 -0.30 0.00 -2.50 0.00 0.00 54.97 52.52 2kfw s GLU 135 Cb -0.12 -0.77 -0.09 0.00 0.00 0.00 0.00 34.13 33.15 2kfw s GLU 135 CO 0.20 -0.21 1.10 0.08 0.02 0.00 0.00 175.26 176.44 2kfw s VAL 136 N 1.50 3.62 -0.12 3.70 1.01 -0.93 -2.01 120.40 127.17 2kfw s VAL 136 Ca -0.03 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.47 2kfw s VAL 136 Cb -0.13 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2kfw s VAL 136 CO -0.03 0.34 -0.13 0.52 0.00 0.00 0.00 175.10 175.79 2kfw n VAL 137 N 1.60 0.64 -3.81 2.92 0.31 0.22 0.18 118.33 120.38 2kfw n VAL 137 Ca 0.00 -0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 2kfw n VAL 137 Cb 0.45 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.84 -0.28 3.52 0.00 -1.25 -4.48 121.76 116.21 2kfw s ALA 138 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2kfw s ALA 138 Cb 0.06 0.90 0.15 0.00 0.00 0.00 0.00 23.12 24.22 2kfw s ALA 138 CO 0.22 -0.85 0.37 0.42 0.00 0.00 0.00 175.76 175.92 2kfw s ILE 139 N -3.91 -0.57 0.20 0.00 1.01 -1.25 -3.20 121.20 113.48 2kfw s ILE 139 Ca 0.12 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.58 2kfw s ILE 139 Cb -0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2kfw s ILE 139 CO 0.01 -0.30 -0.22 -0.13 0.00 0.00 0.00 174.94 174.30 2kfw s ARG 140 N 2.49 1.49 0.63 2.79 0.52 -0.32 -4.92 118.95 121.63 2kfw s ARG 140 Ca 0.10 -1.53 -0.10 0.00 -0.52 0.00 0.00 55.73 53.68 2kfw s ARG 140 Cb -0.13 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 2kfw s ARG 140 CO -0.28 0.36 1.01 -2.00 0.02 0.00 0.00 175.30 174.41 2kfw s GLU 141 N -2.82 3.25 0.16 3.54 2.12 -1.26 0.11 118.70 123.79 2kfw s GLU 141 Ca 0.21 0.49 0.09 0.00 0.36 0.00 0.00 54.97 56.12 2kfw s GLU 141 Cb -0.07 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 2kfw s GLU 141 CO 0.10 -0.71 -0.21 0.00 -0.54 0.00 0.00 175.26 173.90 2kfw s ALA 142 N -3.17 2.11 1.08 6.30 0.00 -1.25 -4.69 121.76 122.14 2kfw s ALA 142 Ca 0.55 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2kfw s ALA 142 Cb -0.11 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 22.92 2kfw s ALA 142 CO 0.51 0.33 0.67 2.41 0.00 0.00 0.00 175.76 179.67 2kfw n THR 143 N 0.49 0.00 -0.22 0.00 -1.04 -1.26 -4.59 114.28 107.66 2kfw n THR 143 Ca -0.15 -0.38 -0.02 0.00 -2.04 0.00 0.00 64.05 61.46 2kfw n THR 143 Cb 0.56 -1.37 0.08 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.65 -0.21 -2.82 5.08 -2.00 -1.04 114.58 114.25 2kfw h GLU 144 Ca -0.23 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 57.88 2kfw h GLU 144 Cb 0.69 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kfw h GLU 144 CO 0.16 0.43 -0.68 1.49 -1.00 0.00 0.00 179.01 179.41 2kfw h GLU 145 N 0.67 0.80 -0.94 2.33 4.81 -1.98 -2.57 114.58 117.70 2kfw h GLU 145 Ca 0.28 -0.58 0.07 0.00 -0.13 0.00 0.00 59.36 59.00 2kfw h GLU 145 Cb 0.15 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 2kfw h GLU 145 CO -0.16 1.20 0.59 0.93 -0.73 0.00 0.00 179.01 180.84 2kfw h GLU 146 N 0.57 1.03 0.00 1.92 4.39 -1.63 0.29 114.58 121.15 2kfw h GLU 146 Ca -0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2kfw h GLU 146 Cb 1.29 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kfw h GLU 146 CO 0.14 0.68 0.00 -0.07 -1.16 0.00 0.00 179.01 178.60 2kfw h LEU 147 N 1.06 0.00 0.03 1.33 4.07 -1.14 0.11 115.31 120.77 2kfw h LEU 147 Ca 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 2kfw h LEU 147 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2kfw h LEU 147 CO -0.19 0.00 -0.01 0.00 -1.08 0.00 0.00 178.44 177.16 2kfw h ALA 148 N 2.31 -0.04 0.00 1.53 0.00 -0.06 -3.25 119.26 119.76 2kfw h ALA 148 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kfw h ALA 148 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kfw h ALA 148 CO 0.00 -0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.91 2kfw n HIS 149 N -4.72 0.00 -3.11 0.00 8.25 -0.52 -4.88 115.22 110.23 2kfw n HIS 149 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 2kfw n HIS 149 Cb 0.30 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.43 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 0.94 -0.12 3.81 -1.41 0.00 -0.80 -5.01 105.19 102.60 2kfw n GLY 150 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 151 N -3.25 0.14 -0.01 1.61 -3.43 0.33 -4.06 115.29 106.61 2kfw s HIS 151 Ca 0.15 -0.82 0.04 0.00 -0.80 0.00 0.00 55.06 53.62 2kfw s HIS 151 Cb -0.06 0.84 -0.01 0.00 -1.43 0.00 0.00 32.58 31.92 2kfw s HIS 151 CO 0.52 -1.57 -0.12 0.54 -2.00 0.00 0.00 174.74 172.11 2kfw s VAL 152 N -2.19 0.96 -0.32 -5.38 0.11 -1.26 -4.19 120.40 108.13 2kfw s VAL 152 Ca 0.16 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.59 2kfw s VAL 152 Cb -0.05 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2kfw s VAL 152 CO 0.11 0.28 0.43 1.57 -3.33 0.00 0.00 175.10 174.16 2kfw n HIS 153 N 2.86 -2.64 0.00 1.54 -0.00 -1.26 -4.95 115.22 110.76 2kfw n HIS 153 Ca -0.15 1.07 0.00 0.00 0.46 0.00 0.00 57.72 59.11 2kfw n HIS 153 Cb 0.55 -3.45 0.00 0.00 -0.12 0.00 0.00 29.99 26.98 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 -0.31 -0.09 3.66 1.57 0.00 -1.26 -5.11 105.19 103.65 2kfw n GLY 154 Ca 0.09 -0.02 -0.55 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.59 -0.43 -0.00 4.61 0.00 -1.26 -4.82 120.51 117.03 2kfw n ALA 155 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 53.44 53.89 2kfw n ALA 155 Cb 0.00 -2.18 0.34 0.00 0.00 0.00 0.00 19.45 17.61 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 6.18 0.54 -0.18 0.00 -0.00 -2.02 -3.08 115.15 116.59 2kfw h HIS 156 Ca -0.47 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 59.90 2kfw h HIS 156 Cb 1.32 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 28.50 2kfw h HIS 156 CO 0.70 0.47 -0.53 -0.44 -0.00 0.00 0.00 177.93 178.13 2kfw h ASP 157 N 0.53 -1.68 -6.32 3.26 3.32 -2.05 -3.46 116.42 110.01 2kfw h ASP 157 Ca 0.12 0.20 -0.37 0.00 0.02 0.00 0.00 57.03 57.01 2kfw h ASP 157 Cb 0.20 0.66 0.02 0.00 0.22 0.00 0.00 39.33 40.43 2kfw h ASP 157 CO -0.00 -0.45 -0.79 1.57 -1.72 0.00 0.00 179.24 177.85 2kfw n HIS 158 N -5.30 -2.19 -3.60 4.55 -0.00 -1.17 -4.96 115.22 102.55 2kfw n HIS 158 Ca -0.05 0.77 -0.24 0.00 0.46 0.00 0.00 57.72 58.66 2kfw n HIS 158 Cb 0.36 -3.23 -0.02 0.00 -0.12 0.00 0.00 29.99 26.97 2kfw n HIS 158 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kfw s HIS 159 N -3.13 3.48 0.00 1.57 -3.43 -1.26 -4.84 115.29 107.68 2kfw s HIS 159 Ca 0.14 0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 2kfw s HIS 159 Cb -0.06 -1.81 0.00 0.00 -1.43 0.00 0.00 32.58 29.29 2kfw s HIS 159 CO 0.86 0.27 0.00 0.72 -2.00 0.00 0.00 174.74 174.59 2kfw n HIS 160 N -1.41 0.00 -0.36 0.38 8.25 -1.26 -4.79 115.22 116.03 2kfw n HIS 160 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2kfw n HIS 160 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2kfw n ASP 161 N 2.65 -0.11 -3.30 0.41 8.00 -1.26 -3.66 116.55 119.27 2kfw n ASP 161 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 2kfw n ASP 161 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kfw n HIS 162 N 0.00 3.57 -2.47 1.24 -0.00 -1.26 -4.84 115.22 111.46 2kfw n HIS 162 Ca 0.00 -3.70 -0.28 0.00 -0.00 0.00 0.00 57.72 53.75 2kfw n HIS 162 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2kfw n ASP 163 N 0.29 4.82 0.00 0.26 -0.08 -1.24 -4.73 116.55 115.87 2kfw n ASP 163 Ca 0.32 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 2kfw n ASP 163 Cb 0.37 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.35 2kfw n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfw n HIS 164 N -0.48 0.00 0.00 -0.67 1.44 -1.26 -5.04 115.22 109.21 2kfw n HIS 164 Ca 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 2kfw n HIS 164 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2kfw n HIS 164 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 165 N 0.00 0.00 0.00 4.39 2.03 -1.26 -4.74 116.55 116.97 2kfw n ASP 165 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kfw n ASP 165 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 166 N 0.00 0.45 2.79 0.27 0.00 -1.26 -5.10 105.19 102.34 2kfw n GLY 166 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 0.65 4.53 2.71 0.00 0.00 -1.26 -5.11 105.19 106.71 2kfw n GLY 169 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.13 -0.93 3.33 -0.02 0.00 -1.26 -5.15 105.19 100.03 2kfw n GLY 170 Ca 0.00 0.63 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 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 1.73 -2.22 -1.56 1.61 1.44 -1.26 -4.86 115.22 110.10 2kfw n HIS 171 Ca 0.06 0.20 -0.36 0.00 -2.01 0.00 0.00 57.72 55.61 2kfw n HIS 171 Cb 0.66 -1.73 0.08 0.00 0.12 0.00 0.00 29.99 29.13 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 2.00 0.31 0.00 -1.39 0.00 -1.26 -5.01 105.19 99.84 2kfw n GLY 172 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.25 -0.03 -3.70 1.61 8.25 -1.26 -5.11 115.22 112.73 2kfw n HIS 173 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 2kfw n HIS 173 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.07 -0.15 0.00 0.41 -1.08 -1.26 -5.12 116.67 108.39 2kfw s ASP 174 Ca 0.00 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 2kfw s ASP 174 Cb 0.00 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 2kfw s ASP 174 CO 0.00 -0.76 0.00 1.41 0.52 0.00 0.00 175.17 176.34 2kfw n HIS 175 N 0.04 0.00 0.00 -5.34 8.25 -1.26 -5.18 115.22 111.73 2kfw n HIS 175 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2kfw n HIS 175 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 176 N 0.55 3.83 3.24 -1.41 0.00 -1.26 -5.17 105.19 104.97 2kfw n GLY 176 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2kfw n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 177 N 0.00 1.24 -0.36 1.61 5.04 -1.26 -5.12 115.29 116.44 2kfw s HIS 177 Ca 0.00 -0.79 -0.02 0.00 -1.54 0.00 0.00 55.06 52.71 2kfw s HIS 177 Cb 0.00 -0.64 0.18 0.00 0.04 0.00 0.00 32.58 32.16 2kfw s HIS 177 CO 0.00 0.05 0.88 -2.00 -2.34 0.00 0.00 174.74 171.33 2kfw s GLU 178 N -3.76 0.44 0.00 2.88 2.12 -1.26 -5.04 118.70 114.08 2kfw s GLU 178 Ca 0.17 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.36 2kfw s GLU 178 Cb 0.03 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2kfw s GLU 178 CO 0.00 -0.64 0.00 1.58 -0.54 0.00 0.00 175.26 175.67 2kfw n HIS 179 N 3.99 -0.73 0.00 5.30 -0.00 -1.26 -5.11 115.22 117.41 2kfw n HIS 179 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2kfw n HIS 179 Cb 0.61 0.47 0.00 0.00 -0.12 0.00 0.00 29.99 30.94 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 180 N 0.56 1.62 3.84 1.57 0.00 -1.26 -4.89 105.19 106.62 2kfw n GLY 180 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2kfw n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 181 N 0.00 0.04 -0.21 -0.02 0.00 -1.26 -5.11 107.32 100.76 2kfw s GLY 181 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 44.72 43.91 2kfw s GLY 181 CO 0.00 -0.05 1.53 -2.21 0.00 0.00 0.00 173.10 172.37 2kfw n GLU 182 N -0.49 0.72 -0.38 2.90 2.13 -1.26 -4.01 120.64 120.26 2kfw n GLU 182 Ca -0.05 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2kfw n GLU 182 Cb 0.59 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 183 N 3.42 -0.09 0.70 8.31 0.00 -1.26 -5.04 105.19 111.24 2kfw n GLY 183 Ca 0.25 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 186 N -0.49 0.75 2.74 0.00 0.00 -1.26 -5.03 105.19 101.90 2kfw n GLY 186 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 2.53 -1.03 6.53 -0.02 0.00 -1.26 -4.77 105.19 107.17 2kfw n GLY 187 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.66 -0.12 0.00 1.61 5.02 -1.26 -4.29 118.16 117.46 2kfw n LYS 188 Ca -0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2kfw n LYS 188 Cb 0.50 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 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 -0.19 -2.44 1.74 0.72 0.00 -1.26 -4.86 105.19 98.90 2kfw n GLY 189 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2kfw n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kfw n ASN 190 N -0.32 -0.51 0.00 1.61 2.85 -1.26 -4.96 115.26 112.66 2kfw n ASN 190 Ca 0.00 -1.34 0.00 0.00 -0.11 0.00 0.00 54.58 53.13 2kfw n ASN 190 Cb 0.00 0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.25 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfw n GLY 191 N -0.49 1.06 3.94 8.20 0.00 -1.26 -5.13 105.19 111.51 2kfw n GLY 191 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 192 N 0.00 1.73 -0.40 -0.02 0.00 -1.26 -5.05 107.32 102.31 2kfw s GLY 192 Ca 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 44.72 43.66 2kfw s GLY 192 CO 0.00 -0.58 1.01 0.00 0.00 0.00 0.00 173.10 173.53 2kfw n GLY 194 N 0.13 0.11 0.23 0.00 0.00 -1.26 -5.05 105.19 99.35 2kfw n GLY 194 Ca 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.76 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32