#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw n LYS 2 N 0.00 0.43 -2.76 2.12 2.85 -1.26 -5.01 118.16 114.54 2kfw n LYS 2 Ca 0.00 -1.56 -0.41 0.00 -1.05 0.00 0.00 58.31 55.28 2kfw n LYS 2 Cb 0.00 1.55 -0.04 0.00 -0.65 0.00 0.00 35.03 35.89 2kfw n LYS 2 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2kfw s VAL 3 N -2.63 4.74 0.17 0.58 1.01 -1.26 -4.88 120.40 118.12 2kfw s VAL 3 Ca 0.16 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.89 2kfw s VAL 3 Cb -0.01 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2kfw s VAL 3 CO 0.11 0.24 0.78 0.00 0.00 0.00 0.00 175.10 176.23 2kfw s ALA 4 N 0.55 -1.53 1.07 5.51 0.00 -1.26 -3.57 121.76 122.53 2kfw s ALA 4 Ca 0.48 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 2kfw s ALA 4 Cb -0.22 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2kfw s ALA 4 CO 0.28 -0.92 -0.28 1.17 0.00 0.00 0.00 175.76 176.01 2kfw n LYS 5 N -0.41 -1.02 -1.68 0.00 4.81 -1.25 -2.22 118.16 116.39 2kfw n LYS 5 Ca -0.08 -0.28 -0.18 0.00 -0.87 0.00 0.00 58.31 56.89 2kfw n LYS 5 Cb 0.61 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 34.05 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kfw n ASP 6 N -0.35 -4.86 -3.47 3.14 8.00 -1.25 -4.85 116.55 112.90 2kfw n ASP 6 Ca 0.01 0.38 -0.17 0.00 0.71 0.00 0.00 54.79 55.72 2kfw n ASP 6 Cb 0.63 -4.31 -0.12 0.00 -0.02 0.00 0.00 41.12 37.31 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kfw s LEU 7 N -4.66 -0.17 0.32 0.64 1.02 -0.94 -0.87 118.68 114.01 2kfw s LEU 7 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 2kfw s LEU 7 Cb 0.00 0.48 -0.11 0.00 0.02 0.00 0.00 46.19 46.58 2kfw s LEU 7 CO 0.00 -0.33 1.52 0.54 0.02 0.00 0.00 176.35 178.10 2kfw s VAL 8 N 2.35 2.19 -0.13 -1.59 0.11 0.72 -4.14 120.40 119.91 2kfw s VAL 8 Ca 0.08 0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2kfw s VAL 8 Cb -0.16 -3.11 0.06 0.00 -1.53 0.00 0.00 36.38 31.65 2kfw s VAL 8 CO -0.13 0.03 0.18 0.54 -3.33 0.00 0.00 175.10 172.39 2kfw s VAL 9 N -0.44 -0.27 -0.50 2.04 0.11 -1.04 -0.80 120.40 119.51 2kfw s VAL 9 Ca 0.58 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.59 2kfw s VAL 9 Cb -0.46 -0.45 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2kfw s VAL 9 CO 0.52 -0.00 0.66 -0.55 -3.33 0.00 0.00 175.10 172.40 2kfw s SER 10 N 2.30 6.25 -0.03 3.54 0.15 -1.19 -3.07 113.70 121.64 2kfw s SER 10 Ca 0.04 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 55.93 2kfw s SER 10 Cb -0.14 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2kfw s SER 10 CO -0.08 -0.91 -0.04 -1.48 1.20 0.00 0.00 173.24 171.92 2kfw s LEU 11 N 2.79 1.59 0.71 3.45 0.05 -1.19 -0.92 118.68 125.16 2kfw s LEU 11 Ca 0.18 -0.11 -0.09 0.00 0.05 0.00 0.00 54.13 54.16 2kfw s LEU 11 Cb -0.18 -0.36 0.04 0.00 -2.05 0.00 0.00 46.19 43.65 2kfw s LEU 11 CO 0.14 -0.01 1.06 0.00 -0.55 0.00 0.00 176.35 176.99 2kfw s ALA 12 N 0.49 2.97 -0.22 1.48 0.00 -0.71 -3.84 121.76 121.94 2kfw s ALA 12 Ca -0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 2kfw s ALA 12 Cb -0.10 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.26 2kfw s ALA 12 CO -0.00 -1.26 0.59 1.52 0.00 0.00 0.00 175.76 176.61 2kfw s TYR 13 N -3.32 -0.66 0.32 0.00 -0.85 -1.26 -0.47 117.35 111.12 2kfw s TYR 13 Ca 0.59 1.59 0.08 0.00 -0.52 0.00 0.00 57.07 58.81 2kfw s TYR 13 Cb -0.11 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 2kfw s TYR 13 CO 0.48 -0.32 0.14 -1.14 -1.52 0.00 0.00 175.55 173.20 2kfw s GLN 14 N 0.36 2.43 -0.18 -3.49 0.74 -0.72 -2.57 119.66 116.23 2kfw s GLN 14 Ca -0.00 -1.47 -0.04 0.00 0.05 0.00 0.00 55.36 53.89 2kfw s GLN 14 Cb -0.04 -2.23 0.06 0.00 1.10 0.00 0.00 33.01 31.90 2kfw s GLN 14 CO 0.00 0.16 0.07 0.54 -0.55 0.00 0.00 175.29 175.51 2kfw s VAL 15 N -2.38 0.21 0.05 1.34 0.11 -0.99 0.14 120.40 118.88 2kfw s VAL 15 Ca 0.37 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2kfw s VAL 15 Cb -0.04 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2kfw s VAL 15 CO 0.23 -0.26 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.59 2kfw s ARG 16 N 2.00 2.58 0.10 1.54 0.52 0.14 -1.18 118.95 124.66 2kfw s ARG 16 Ca 0.01 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2kfw s ARG 16 Cb -0.17 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2kfw s ARG 16 CO -0.09 0.57 0.18 0.95 0.02 0.00 0.00 175.30 176.93 2kfw s THR 17 N -1.19 4.98 0.55 0.02 -4.23 0.18 -0.29 115.64 115.66 2kfw s THR 17 Ca 0.22 -0.68 0.23 0.00 -1.18 0.00 0.00 61.69 60.28 2kfw s THR 17 Cb -0.11 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.48 2kfw s THR 17 CO 0.14 0.04 1.69 -0.33 -0.54 0.00 0.00 174.62 175.62 2kfw h GLU 18 N 2.81 0.00 -0.22 3.99 4.39 -1.88 0.37 114.58 124.05 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2kfw h GLU 18 CO 0.69 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 178.29 2kfw n ASP 19 N -2.68 0.22 -1.60 1.42 8.00 -1.26 -4.81 116.55 115.83 2kfw n ASP 19 Ca -0.02 -1.95 -0.13 0.00 0.71 0.00 0.00 54.79 53.40 2kfw n ASP 19 Cb 0.45 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfw n GLY 20 N 0.37 -0.14 3.31 0.44 0.00 0.13 -5.01 105.19 104.29 2kfw n GLY 20 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.72 1.99 -0.26 1.61 1.01 -1.18 -4.93 120.40 115.93 2kfw s VAL 21 Ca 0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 2kfw s VAL 21 Cb -0.02 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2kfw s VAL 21 CO 0.06 0.36 0.17 -1.48 0.00 0.00 0.00 175.10 174.21 2kfw s LEU 22 N -1.10 4.08 0.07 3.92 0.05 -1.26 0.51 118.68 124.93 2kfw s LEU 22 Ca 0.10 0.07 -0.15 0.00 0.05 0.00 0.00 54.13 54.20 2kfw s LEU 22 Cb -0.10 -2.11 -0.24 0.00 -2.05 0.00 0.00 46.19 41.69 2kfw s LEU 22 CO 0.01 0.02 1.17 0.58 -0.55 0.00 0.00 176.35 177.59 2kfw h VAL 23 N 5.16 1.29 0.00 1.48 2.07 -1.51 -3.49 116.25 121.25 2kfw h VAL 23 Ca -0.37 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2kfw h VAL 23 Cb 1.18 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2kfw h VAL 23 CO 0.61 0.69 0.00 0.47 0.02 0.00 0.00 177.57 179.37 2kfw n ASP 24 N -3.88 0.00 -3.83 0.57 9.92 -1.25 -5.05 116.55 113.03 2kfw n ASP 24 Ca -0.11 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.05 2kfw n ASP 24 Cb 0.88 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.29 2kfw n ASP 24 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2kfw s GLU 25 N -2.00 1.01 0.44 -1.24 -1.05 -1.26 -2.33 118.70 112.26 2kfw s GLU 25 Ca 0.00 -0.96 -0.14 0.00 -0.15 0.00 0.00 54.97 53.72 2kfw s GLU 25 Cb 0.00 0.39 -0.07 0.00 -0.44 0.00 0.00 34.13 34.00 2kfw s GLU 25 CO 0.00 -0.36 0.86 -1.12 0.95 0.00 0.00 175.26 175.59 2kfw s SER 26 N -2.88 6.61 0.27 0.83 0.01 -1.06 -5.00 113.70 112.48 2kfw s SER 26 Ca 0.08 1.35 -0.29 0.00 1.31 0.00 0.00 55.95 58.40 2kfw s SER 26 Cb 0.03 -2.41 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 2kfw s SER 26 CO -0.08 -0.45 1.15 -2.16 0.41 0.00 0.00 173.24 172.11 2kfw s PRO 27 N -3.82 4.57 0.25 12.44 0.04 -1.26 -4.76 135.00 142.46 2kfw s PRO 27 Ca 0.55 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.53 2kfw s PRO 27 Cb -0.10 -3.18 0.29 0.00 0.04 0.00 0.00 34.50 31.55 2kfw s PRO 27 CO 0.29 0.10 1.58 0.28 0.04 0.00 0.00 177.00 179.29 2kfw h VAL 28 N 3.20 1.40 0.00 -0.36 2.07 -2.02 -2.68 116.25 117.86 2kfw h VAL 28 Ca -0.47 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2kfw h VAL 28 Cb 1.21 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2kfw h VAL 28 CO 0.68 0.58 0.00 -1.20 0.02 0.00 0.00 177.57 177.65 2kfw n SER 29 N -3.86 0.00 -3.40 0.57 7.64 -1.26 -4.26 113.62 109.04 2kfw n SER 29 Ca -0.02 0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 2kfw n SER 29 Cb 0.61 -0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 63.41 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kfw s ALA 30 N -2.60 0.06 0.14 -0.43 0.00 -1.01 -5.12 121.76 112.80 2kfw s ALA 30 Ca 0.19 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 2kfw s ALA 30 Cb 0.14 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.31 2kfw s ALA 30 CO 0.32 -2.11 1.21 -1.25 0.00 0.00 0.00 175.76 173.93 2kfw s PRO 31 N 1.34 4.46 -0.69 0.00 0.04 -1.25 -4.28 135.00 134.61 2kfw s PRO 31 Ca 0.17 1.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2kfw s PRO 31 Cb -0.18 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2kfw s PRO 31 CO -0.03 -0.17 1.92 -1.17 0.04 0.00 0.00 177.00 177.58 2kfw s LEU 32 N 0.30 3.25 0.09 -3.56 0.20 -1.25 -4.64 118.68 113.07 2kfw s LEU 32 Ca 0.56 0.07 -0.27 0.00 0.69 0.00 0.00 54.13 55.18 2kfw s LEU 32 Cb -0.32 -2.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.84 2kfw s LEU 32 CO 0.34 -2.53 0.83 1.51 -0.29 0.00 0.00 176.35 176.20 2kfw s ASP 33 N 8.30 7.33 0.24 3.68 -4.77 -1.26 -3.16 116.67 127.03 2kfw s ASP 33 Ca 0.70 1.59 -0.19 0.00 -3.30 0.00 0.00 52.55 51.34 2kfw s ASP 33 Cb -0.11 -2.51 0.02 0.00 -1.09 0.00 0.00 42.92 39.23 2kfw s ASP 33 CO 0.14 0.03 0.63 -0.72 0.70 0.00 0.00 175.17 175.95 2kfw s TYR 34 N -0.25 -0.13 -0.28 2.11 -0.85 -1.17 -4.92 117.35 111.87 2kfw s TYR 34 Ca 0.40 -0.27 -0.17 0.00 -0.52 0.00 0.00 57.07 56.52 2kfw s TYR 34 Cb -0.22 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 2kfw s TYR 34 CO 0.26 -1.09 0.45 -1.17 -1.52 0.00 0.00 175.55 172.47 2kfw s LEU 35 N -2.91 4.08 0.57 -3.49 2.96 -1.22 -2.49 118.68 116.19 2kfw s LEU 35 Ca 0.11 0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 54.16 2kfw s LEU 35 Cb -0.04 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2kfw s LEU 35 CO 0.03 -0.26 1.34 -2.28 -1.32 0.00 0.00 176.35 173.86 2kfw s HIS 36 N 2.21 2.23 0.00 5.38 5.65 -1.26 -2.32 115.29 127.18 2kfw s HIS 36 Ca 0.18 1.40 0.00 0.00 0.25 0.00 0.00 55.06 56.89 2kfw s HIS 36 Cb -0.16 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 2kfw s HIS 36 CO 0.10 -2.91 0.00 0.41 -0.65 0.00 0.00 174.74 171.69 2kfw n GLY 37 N 0.76 1.49 2.94 1.59 0.00 -1.26 -3.89 105.19 106.82 2kfw n GLY 37 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.09 3.30 0.00 1.61 3.76 -0.98 -4.82 115.29 118.07 2kfw s HIS 38 Ca 0.00 -3.21 0.00 0.00 -0.15 0.00 0.00 55.06 51.70 2kfw s HIS 38 Cb 0.00 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.89 2kfw s HIS 38 CO 0.00 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 173.61 2kfw n GLY 39 N 2.79 0.14 2.62 -2.22 0.00 -1.23 -4.16 105.19 103.12 2kfw n GLY 39 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfw n SER 40 N -0.51 1.37 0.00 1.61 3.41 -1.26 -3.40 113.62 114.85 2kfw n SER 40 Ca 0.00 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2kfw n SER 40 Cb 0.23 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kfw n LEU 41 N -0.03 0.00 -4.74 1.04 4.32 -1.26 -4.54 117.00 111.79 2kfw n LEU 41 Ca 0.10 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.79 2kfw n LEU 41 Cb 0.80 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.53 2kfw n LEU 41 CO 0.26 0.00 -0.29 0.27 -1.22 0.00 0.00 177.39 176.41 2kfw s ILE 42 N 0.00 4.37 0.28 -0.08 -4.36 -1.26 -5.00 121.20 115.15 2kfw s ILE 42 Ca 0.00 -0.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 2kfw s ILE 42 Cb 0.00 -3.07 0.27 0.00 1.25 0.00 0.00 42.46 40.91 2kfw s ILE 42 CO 0.00 0.18 1.78 0.28 0.24 0.00 0.00 174.94 177.42 2kfw h SER 43 N 3.56 0.67 -1.23 4.36 0.02 -1.84 0.12 113.55 119.21 2kfw h SER 43 Ca -0.47 0.09 0.36 0.00 -0.84 0.00 0.00 61.79 60.92 2kfw h SER 43 Cb 1.17 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.58 2kfw h SER 43 CO 0.63 0.28 0.82 1.23 -1.14 0.00 0.00 176.83 178.65 2kfw h GLY 44 N 0.73 0.90 1.28 -3.77 0.00 -1.95 0.49 103.07 100.74 2kfw h GLY 44 Ca 0.50 -0.12 -0.29 0.00 0.00 0.00 0.00 47.33 47.43 2kfw h GLY 44 CO -0.35 -0.19 -1.50 1.41 0.00 0.00 0.00 176.54 175.91 2kfw h LEU 45 N 0.18 0.27 0.13 3.11 -0.00 -1.07 -3.20 115.31 114.73 2kfw h LEU 45 Ca 0.69 -0.39 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2kfw h LEU 45 Cb 2.19 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.75 2kfw h LEU 45 CO -0.26 1.33 -0.10 -0.33 -0.00 0.00 0.00 178.44 179.09 2kfw h GLU 46 N 0.05 -0.23 0.17 1.13 5.08 0.33 0.14 114.58 121.24 2kfw h GLU 46 Ca -0.22 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2kfw h GLU 46 Cb 1.98 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2kfw h GLU 46 CO 0.14 -0.15 -0.08 1.15 -1.00 0.00 0.00 179.01 179.07 2kfw h THR 47 N -0.24 0.86 -0.01 1.13 2.02 -1.46 0.40 112.91 115.61 2kfw h THR 47 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kfw h THR 47 Cb 0.21 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2kfw h THR 47 CO -0.01 0.03 0.02 0.00 0.37 0.00 0.00 175.52 175.92 2kfw h ALA 48 N 0.55 1.60 0.03 6.16 0.00 -1.52 -2.78 119.26 123.30 2kfw h ALA 48 Ca -0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2kfw h ALA 48 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kfw h ALA 48 CO 0.04 -0.02 -0.81 -0.07 0.00 0.00 0.00 179.25 178.39 2kfw h LEU 49 N 0.00 0.11 -8.76 0.00 3.38 0.04 -3.42 115.31 106.66 2kfw h LEU 49 Ca 0.01 -0.79 -0.79 0.00 0.09 0.00 0.00 57.88 56.40 2kfw h LEU 49 Cb 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kfw h LEU 49 CO -0.00 1.33 0.98 1.21 0.09 0.00 0.00 178.44 182.06 2kfw n GLU 50 N -4.37 0.47 -2.75 1.13 2.13 0.13 0.19 120.64 117.57 2kfw n GLU 50 Ca -0.21 0.16 -0.06 0.00 0.66 0.00 0.00 57.16 57.70 2kfw n GLU 50 Cb 0.66 -1.79 0.02 0.00 0.27 0.00 0.00 31.44 30.60 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 5.16 0.52 0.00 8.31 0.00 -1.23 -4.94 105.19 113.01 2kfw n GLY 51 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.04 0.00 0.00 1.61 -0.00 0.13 -5.00 115.22 108.92 2kfw n HIS 52 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2kfw n HIS 52 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kfw n GLU 53 N 0.00 0.00 -2.54 1.57 4.07 -1.26 -5.04 120.64 117.43 2kfw n GLU 53 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2kfw n GLU 53 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2kfw n GLU 53 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kfw s VAL 54 N 0.00 4.48 0.00 6.31 0.11 -1.26 -2.68 120.40 127.36 2kfw s VAL 54 Ca 0.00 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.84 2kfw s VAL 54 Cb 0.00 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 2kfw s VAL 54 CO 0.00 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2kfw n GLY 55 N 3.47 0.43 3.75 6.54 0.00 0.69 -4.92 105.19 115.14 2kfw n GLY 55 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -2.59 4.59 0.11 1.61 2.15 -1.09 -4.94 116.67 116.50 2kfw s ASP 56 Ca 0.00 -0.93 0.07 0.00 0.43 0.00 0.00 52.55 52.13 2kfw s ASP 56 Cb 0.00 -0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 42.01 2kfw s ASP 56 CO 0.00 -0.47 -0.18 -1.59 -0.17 0.00 0.00 175.17 172.76 2kfw s LYS 57 N -3.91 1.08 -0.05 4.34 -2.85 -1.26 -2.75 119.74 114.34 2kfw s LYS 57 Ca 0.41 -1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 54.17 2kfw s LYS 57 Cb 0.01 -1.21 0.02 0.00 -2.06 0.00 0.00 37.83 34.59 2kfw s LYS 57 CO 0.23 0.27 0.12 0.12 0.10 0.00 0.00 175.35 176.19 2kfw s PHE 58 N -1.46 -0.13 0.20 1.78 5.36 -0.01 -4.95 117.98 118.77 2kfw s PHE 58 Ca 0.07 0.35 -0.11 0.00 -0.96 0.00 0.00 56.93 56.27 2kfw s PHE 58 Cb -0.09 0.01 -0.07 0.00 -0.34 0.00 0.00 43.02 42.53 2kfw s PHE 58 CO 0.04 -0.09 0.55 -0.51 -1.46 0.00 0.00 175.22 173.76 2kfw s ASP 59 N 0.36 6.70 -0.09 6.13 1.11 -1.26 -1.65 116.67 127.96 2kfw s ASP 59 Ca -0.02 0.98 -0.19 0.00 0.18 0.00 0.00 52.55 53.50 2kfw s ASP 59 Cb -0.04 -2.25 0.04 0.00 1.07 0.00 0.00 42.92 41.74 2kfw s ASP 59 CO -0.01 -0.02 0.46 0.54 1.18 0.00 0.00 175.17 177.32 2kfw s VAL 60 N -1.70 0.02 -0.35 -1.27 0.11 -0.63 -4.97 120.40 111.61 2kfw s VAL 60 Ca 0.44 -0.18 -0.16 0.00 -2.93 0.00 0.00 61.98 59.15 2kfw s VAL 60 Cb -0.12 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2kfw s VAL 60 CO 0.20 -0.10 0.42 0.00 -3.33 0.00 0.00 175.10 172.29 2kfw s ALA 61 N -0.68 3.48 -0.27 1.54 0.00 -1.26 0.18 121.76 124.75 2kfw s ALA 61 Ca -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 2kfw s ALA 61 Cb -0.03 -2.91 0.14 0.00 0.00 0.00 0.00 23.12 20.32 2kfw s ALA 61 CO 0.04 -1.16 0.33 0.08 0.00 0.00 0.00 175.76 175.05 2kfw s VAL 62 N 2.16 -0.48 0.00 0.00 1.01 -0.49 -4.86 120.40 117.75 2kfw s VAL 62 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kfw s VAL 62 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2kfw s VAL 62 CO 0.12 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2kfw n GLY 63 N 5.33 -0.78 0.13 4.51 0.00 -1.26 -4.30 105.19 108.82 2kfw n GLY 63 Ca -0.02 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 0.39 0.65 0.00 4.61 0.00 -1.89 1.55 119.26 124.57 2kfw h ALA 64 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kfw h ALA 64 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kfw h ALA 64 CO 0.00 0.38 -0.21 -0.97 0.00 0.00 0.00 179.25 178.45 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -0.73 -1.92 -3.40 115.58 109.54 2kfw h ASN 65 Ca -0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2kfw h ASN 65 Cb 1.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 2kfw h ASN 65 CO 0.02 0.12 0.00 -0.67 -0.37 0.00 0.00 177.43 176.54 2kfw n ASP 66 N -3.10 0.00 0.00 1.15 2.03 -1.24 -5.07 116.55 110.32 2kfw n ASP 66 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kfw n ASP 66 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N 0.00 0.00 -0.05 -1.67 0.00 -0.40 -4.00 120.51 114.39 2kfw n ALA 67 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2kfw n ALA 67 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.59 0.68 -3.16 0.00 4.01 0.50 -4.96 117.16 113.64 2kfw n TYR 68 Ca 0.00 0.16 -0.11 0.00 -0.16 0.00 0.00 57.90 57.79 2kfw n TYR 68 Cb 0.00 -1.09 0.01 0.00 -0.31 0.00 0.00 39.34 37.94 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kfw n GLY 69 N 2.02 -1.12 0.00 2.72 0.00 0.58 -4.94 105.19 104.44 2kfw n GLY 69 Ca -0.35 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.27 3.46 -2.79 1.61 6.02 -1.26 -4.98 117.38 118.17 2kfw n GLN 70 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2kfw n GLN 70 Cb 0.54 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.77 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 1.39 3.51 0.29 1.08 -0.85 -1.26 -4.57 117.35 116.94 2kfw s TYR 71 Ca 0.00 1.47 -0.22 0.00 -0.52 0.00 0.00 57.07 57.80 2kfw s TYR 71 Cb 0.00 -3.09 -0.09 0.00 0.38 0.00 0.00 41.96 39.16 2kfw s TYR 71 CO 0.00 -0.17 0.83 0.34 -1.52 0.00 0.00 175.55 175.03 2kfw s ASP 72 N 1.07 7.13 0.00 -0.18 -1.08 -1.26 -3.19 116.67 119.16 2kfw s ASP 72 Ca 0.45 1.59 0.07 0.00 -0.52 0.00 0.00 52.55 54.14 2kfw s ASP 72 Cb -0.18 -2.49 0.35 0.00 -1.46 0.00 0.00 42.92 39.14 2kfw s ASP 72 CO 0.17 -0.06 1.13 -0.62 0.52 0.00 0.00 175.17 176.31 2kfw n GLU 73 N 0.44 0.08 0.22 4.34 -0.58 -1.26 -3.00 120.64 120.88 2kfw n GLU 73 Ca 0.01 0.26 0.14 0.00 -0.42 0.00 0.00 57.16 57.15 2kfw n GLU 73 Cb 0.51 -1.50 0.58 0.00 -0.57 0.00 0.00 31.44 30.46 2kfw n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2kfw h ASN 74 N 0.00 0.00 -2.16 1.62 -1.07 -2.00 -1.17 115.58 110.80 2kfw h ASN 74 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 56.30 55.66 2kfw h ASN 74 Cb 0.08 0.00 -0.34 0.00 -2.07 0.00 0.00 38.32 36.00 2kfw h ASN 74 CO 0.00 0.00 0.29 0.00 0.07 0.00 0.00 177.43 177.79 2kfw n LEU 75 N -3.01 6.15 -4.92 6.14 -0.00 -1.16 -5.03 117.00 115.17 2kfw n LEU 75 Ca 0.03 -5.41 -0.27 0.00 -0.00 0.00 0.00 56.01 50.36 2kfw n LEU 75 Cb 0.70 -0.88 -0.03 0.00 -0.00 0.00 0.00 43.42 43.21 2kfw n LEU 75 CO 0.14 2.14 0.16 0.54 -0.00 0.00 0.00 177.39 180.37 2kfw s VAL 76 N -4.60 5.08 0.19 1.47 0.11 -0.44 -4.86 120.40 117.35 2kfw s VAL 76 Ca 0.45 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 2kfw s VAL 76 Cb 0.27 -3.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2kfw s VAL 76 CO -0.18 -0.34 0.25 -1.58 -3.33 0.00 0.00 175.10 169.92 2kfw s GLN 77 N -3.66 3.22 -0.07 1.54 2.00 0.32 -4.94 119.66 118.06 2kfw s GLN 77 Ca 0.42 -0.78 0.04 0.00 -2.00 0.00 0.00 55.36 53.04 2kfw s GLN 77 Cb -0.11 -2.80 0.00 0.00 0.80 0.00 0.00 33.01 30.90 2kfw s GLN 77 CO 0.31 0.47 -0.20 1.03 -0.50 0.00 0.00 175.29 176.40 2kfw s ARG 78 N -3.45 2.39 -0.20 1.67 0.52 -1.26 0.47 118.95 119.08 2kfw s ARG 78 Ca 0.33 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.75 2kfw s ARG 78 Cb -0.10 -1.92 0.09 0.00 0.52 0.00 0.00 34.95 33.55 2kfw s ARG 78 CO 0.27 0.20 0.42 0.08 0.02 0.00 0.00 175.30 176.29 2kfw s VAL 79 N 0.26 -0.66 0.90 3.52 1.01 0.43 -4.94 120.40 120.91 2kfw s VAL 79 Ca -0.12 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2kfw s VAL 79 Cb -0.15 -0.68 0.13 0.00 0.00 0.00 0.00 36.38 35.68 2kfw s VAL 79 CO 0.05 0.06 1.11 -2.16 0.00 0.00 0.00 175.10 174.17 2kfw s PRO 80 N 2.62 1.27 0.00 2.72 0.04 -1.26 -1.92 135.00 138.46 2kfw s PRO 80 Ca -0.01 0.52 0.11 0.00 0.04 0.00 0.00 61.00 61.66 2kfw s PRO 80 Cb -0.12 -1.83 0.56 0.00 0.04 0.00 0.00 34.50 33.14 2kfw s PRO 80 CO -0.13 -2.16 1.29 1.63 0.04 0.00 0.00 177.00 177.67 2kfw n LYS 81 N -3.78 0.12 0.19 4.56 5.02 -1.26 -3.10 118.16 119.91 2kfw n LYS 81 Ca 0.06 0.21 0.16 0.00 -2.02 0.00 0.00 58.31 56.72 2kfw n LYS 81 Cb 0.57 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.70 2kfw n LYS 81 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2kfw h ASP 82 N 0.00 0.00 -0.48 4.39 3.58 -1.92 1.38 116.42 123.37 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kfw h ASP 82 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kfw h ASP 82 CO 0.00 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.88 2kfw n VAL 83 N -3.12 1.74 -3.87 2.25 0.31 -1.18 -4.77 118.33 109.69 2kfw n VAL 83 Ca 0.04 -1.31 -0.29 0.00 -0.01 0.00 0.00 64.34 62.77 2kfw n VAL 83 Cb 0.70 0.13 -0.13 0.00 -0.91 0.00 0.00 33.84 33.63 2kfw n VAL 83 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2kfw s PHE 84 N -1.87 2.97 -0.99 3.52 0.40 0.47 -5.00 117.98 117.48 2kfw s PHE 84 Ca 0.42 -3.04 -0.03 0.00 -0.60 0.00 0.00 56.93 53.68 2kfw s PHE 84 Cb 0.28 -2.54 0.29 0.00 0.51 0.00 0.00 43.02 41.55 2kfw s PHE 84 CO 0.19 -0.70 1.24 -1.33 0.70 0.00 0.00 175.22 175.31 2kfw n MET 85 N 2.90 3.84 0.00 0.44 2.81 -1.26 -4.54 117.12 121.30 2kfw n MET 85 Ca 0.10 -4.56 0.00 0.00 -1.81 0.00 0.00 57.70 51.44 2kfw n MET 85 Cb 0.34 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfw n GLY 86 N 1.53 0.00 0.00 3.03 0.00 -1.26 -5.16 105.19 103.33 2kfw n GLY 86 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 1.61 0.24 -1.26 -5.10 118.33 113.82 2kfw n VAL 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kfw n VAL 87 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2kfw n VAL 87 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kfw n ASP 88 N 0.00 0.00 -3.29 -1.34 9.92 -1.26 -5.09 116.55 115.49 2kfw n ASP 88 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 2kfw n ASP 88 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kfw s GLU 89 N 0.00 0.42 -0.49 -1.24 2.02 -1.26 -5.11 118.70 113.04 2kfw s GLU 89 Ca 0.00 0.33 -0.20 0.00 0.02 0.00 0.00 54.97 55.12 2kfw s GLU 89 Cb 0.00 -0.24 0.05 0.00 0.10 0.00 0.00 34.13 34.04 2kfw s GLU 89 CO 0.00 -0.91 0.67 -0.51 0.02 0.00 0.00 175.26 174.53 2kfw s LEU 90 N 2.59 4.72 0.51 1.80 1.02 -1.26 -5.05 118.68 123.02 2kfw s LEU 90 Ca 0.11 -0.68 0.09 0.00 0.02 0.00 0.00 54.13 53.67 2kfw s LEU 90 Cb -0.13 -2.57 0.05 0.00 0.02 0.00 0.00 46.19 43.56 2kfw s LEU 90 CO -0.26 -0.90 0.70 -1.10 0.02 0.00 0.00 176.35 174.81 2kfw s GLN 91 N 2.85 2.53 0.06 1.70 -0.21 -1.26 -4.97 119.66 120.36 2kfw s GLN 91 Ca 0.19 -1.47 -0.31 0.00 0.02 0.00 0.00 55.36 53.80 2kfw s GLN 91 Cb -0.17 -2.70 -0.07 0.00 1.00 0.00 0.00 33.01 31.07 2kfw s GLN 91 CO 0.15 -0.60 1.45 0.14 -2.12 0.00 0.00 175.29 174.31 2kfw s VAL 92 N -2.53 3.38 0.00 1.09 -7.23 -1.26 -2.71 120.40 111.15 2kfw s VAL 92 Ca 0.59 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 2kfw s VAL 92 Cb -0.08 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2kfw s VAL 92 CO 0.36 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 2kfw n GLY 93 N 3.67 1.03 3.82 2.32 0.00 -1.26 -5.10 105.19 109.67 2kfw n GLY 93 Ca 0.13 0.00 -0.33 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 -0.33 3.77 0.43 1.61 0.00 -1.10 -4.99 119.30 118.70 2kfw s MET 94 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 55.69 56.78 2kfw s MET 94 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 34.83 32.69 2kfw s MET 94 CO 0.00 -0.43 0.70 1.03 0.00 0.00 0.00 175.02 176.32 2kfw s ARG 95 N -3.80 3.54 0.16 4.11 0.52 -1.26 -3.30 118.95 118.90 2kfw s ARG 95 Ca 0.62 0.03 0.08 0.00 -0.52 0.00 0.00 55.73 55.94 2kfw s ARG 95 Cb -0.13 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 2kfw s ARG 95 CO 0.28 -0.07 -0.17 0.12 0.02 0.00 0.00 175.30 175.49 2kfw s PHE 96 N -2.56 1.69 -0.06 -0.53 5.36 -1.03 -4.74 117.98 116.10 2kfw s PHE 96 Ca 0.45 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 2kfw s PHE 96 Cb -0.10 -0.85 0.02 0.00 -0.34 0.00 0.00 43.02 41.75 2kfw s PHE 96 CO 0.41 0.28 -0.06 -1.17 -1.46 0.00 0.00 175.22 173.21 2kfw s LEU 97 N -2.67 1.33 -0.39 6.12 2.96 -1.26 -2.51 118.68 122.26 2kfw s LEU 97 Ca 0.14 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2kfw s LEU 97 Cb -0.05 -0.58 0.10 0.00 0.50 0.00 0.00 46.19 46.16 2kfw s LEU 97 CO 0.06 -0.05 0.16 0.00 -1.32 0.00 0.00 176.35 175.20 2kfw s ALA 98 N 1.03 3.09 -0.45 5.97 0.00 -1.00 -4.99 121.76 125.41 2kfw s ALA 98 Ca -0.09 -2.43 -0.11 0.00 0.00 0.00 0.00 51.96 49.34 2kfw s ALA 98 Cb -0.14 -2.32 0.09 0.00 0.00 0.00 0.00 23.12 20.75 2kfw s ALA 98 CO -0.00 -1.72 0.32 -1.21 0.00 0.00 0.00 175.76 173.15 2kfw s GLU 99 N 1.14 2.66 0.25 0.00 0.41 -1.26 -1.57 118.70 120.33 2kfw s GLU 99 Ca 0.07 -1.54 0.01 0.00 -0.41 0.00 0.00 54.97 53.10 2kfw s GLU 99 Cb -0.22 -3.91 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 2kfw s GLU 99 CO -0.04 -1.06 0.13 0.95 -0.49 0.00 0.00 175.26 174.75 2kfw s THR 100 N 1.46 0.28 0.59 3.63 -4.23 -1.24 -4.99 115.64 111.13 2kfw s THR 100 Ca 0.04 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.84 2kfw s THR 100 Cb -0.25 -2.56 0.41 0.00 1.34 0.00 0.00 72.50 71.45 2kfw s THR 100 CO 0.02 0.00 1.74 -2.24 -0.54 0.00 0.00 174.62 173.60 2kfw h ASP 101 N 2.43 0.00 0.29 3.99 2.03 -2.05 1.05 116.42 124.15 2kfw h ASP 101 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2kfw h ASP 101 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kfw h ASP 101 CO 0.55 0.00 0.00 1.67 -1.03 0.00 0.00 179.24 180.43 2kfw n GLN 102 N -3.65 0.19 0.00 4.15 7.27 -1.26 -4.95 117.38 119.13 2kfw n GLN 102 Ca 0.14 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2kfw n GLN 102 Cb 0.96 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.11 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kfw n GLY 103 N -0.06 2.64 3.61 1.69 0.00 0.36 -4.94 105.19 108.49 2kfw n GLY 103 Ca 0.07 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.00 3.68 -0.18 1.61 0.04 -1.26 -3.61 135.00 132.28 2kfw s PRO 104 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2kfw s PRO 104 Cb 0.00 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.54 2kfw s PRO 104 CO 0.00 -1.43 -0.17 0.54 0.04 0.00 0.00 177.00 175.99 2kfw s VAL 105 N 5.28 2.36 0.32 -0.36 0.11 -0.61 -5.01 120.40 122.48 2kfw s VAL 105 Ca 0.64 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 58.57 2kfw s VAL 105 Cb -0.18 -2.00 -0.09 0.00 -1.53 0.00 0.00 36.38 32.57 2kfw s VAL 105 CO 0.29 0.52 1.13 -2.16 -3.33 0.00 0.00 175.10 171.55 2kfw s PRO 106 N 1.25 4.45 0.31 1.54 0.04 -1.26 -2.37 135.00 138.97 2kfw s PRO 106 Ca 0.03 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.93 2kfw s PRO 106 Cb -0.14 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2kfw s PRO 106 CO -0.09 0.04 0.31 0.14 0.04 0.00 0.00 177.00 177.43 2kfw s VAL 107 N -1.26 0.00 -0.07 -0.36 -7.23 -1.04 -4.29 120.40 106.15 2kfw s VAL 107 Ca 0.49 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2kfw s VAL 107 Cb -0.31 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.13 2kfw s VAL 107 CO 0.40 0.00 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.57 2kfw s GLU 108 N -3.46 0.69 0.13 4.82 2.02 -1.23 -2.48 118.70 119.19 2kfw s GLU 108 Ca 0.38 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.11 2kfw s GLU 108 Cb 0.02 -0.98 -0.09 0.00 0.10 0.00 0.00 34.13 33.17 2kfw s GLU 108 CO 0.24 -0.27 1.58 -1.50 0.02 0.00 0.00 175.26 175.33 2kfw s ILE 109 N 1.80 2.78 -0.05 -1.63 2.07 -1.21 -1.90 121.20 123.06 2kfw s ILE 109 Ca 0.03 0.48 0.13 0.00 -1.41 0.00 0.00 60.65 59.88 2kfw s ILE 109 Cb -0.13 -3.31 -0.19 0.00 0.13 0.00 0.00 42.46 38.96 2kfw s ILE 109 CO -0.05 0.03 0.29 1.07 -1.91 0.00 0.00 174.94 174.37 2kfw n THR 110 N 4.19 0.00 -3.51 4.00 5.66 -0.09 -4.41 114.28 120.13 2kfw n THR 110 Ca 0.14 -0.28 -0.09 0.00 -3.05 0.00 0.00 64.05 60.77 2kfw n THR 110 Cb 0.39 0.26 -0.02 0.00 -1.55 0.00 0.00 70.33 69.41 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw s ALA 111 N -2.84 -1.72 -0.30 1.79 0.00 -1.24 -4.96 121.76 112.50 2kfw s ALA 111 Ca -0.04 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2kfw s ALA 111 Cb 0.08 0.60 0.08 0.00 0.00 0.00 0.00 23.12 23.88 2kfw s ALA 111 CO 0.53 -0.75 -0.01 0.14 0.00 0.00 0.00 175.76 175.66 2kfw s VAL 112 N -3.36 1.98 0.57 0.00 -7.23 -1.26 -2.98 120.40 108.12 2kfw s VAL 112 Ca 0.05 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2kfw s VAL 112 Cb -0.01 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2kfw s VAL 112 CO -0.09 -0.35 0.80 -1.61 -0.31 0.00 0.00 175.10 173.54 2kfw s GLU 113 N 1.12 2.48 0.16 4.82 8.01 0.14 -4.99 118.70 130.43 2kfw s GLU 113 Ca 0.02 -0.75 -0.31 0.00 0.01 0.00 0.00 54.97 53.94 2kfw s GLU 113 Cb -0.19 -2.46 -0.10 0.00 -4.31 0.00 0.00 34.13 27.07 2kfw s GLU 113 CO -0.08 -0.78 1.63 -0.51 0.01 0.00 0.00 175.26 175.52 2kfw s ASP 114 N -4.44 6.54 -1.29 -0.19 1.11 -1.26 -2.40 116.67 114.73 2kfw s ASP 114 Ca 0.58 2.66 -0.15 0.00 0.18 0.00 0.00 52.55 55.81 2kfw s ASP 114 Cb -0.10 -2.59 0.14 0.00 1.07 0.00 0.00 42.92 41.44 2kfw s ASP 114 CO 0.39 -0.88 0.44 0.47 1.18 0.00 0.00 175.17 176.78 2kfw n ASP 115 N 4.35 -2.07 -3.65 0.27 8.00 -1.26 -4.84 116.55 117.35 2kfw n ASP 115 Ca 0.15 -0.63 -0.02 0.00 0.71 0.00 0.00 54.79 54.99 2kfw n ASP 115 Cb 0.38 -1.80 -0.07 0.00 -0.02 0.00 0.00 41.12 39.62 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2kfw s HIS 116 N -2.88 -0.30 0.43 1.24 2.46 -1.01 -4.67 115.29 110.57 2kfw s HIS 116 Ca 0.54 0.63 0.04 0.00 0.47 0.00 0.00 55.06 56.75 2kfw s HIS 116 Cb -0.31 0.28 -0.05 0.00 -0.13 0.00 0.00 32.58 32.37 2kfw s HIS 116 CO 0.67 -0.15 0.02 0.08 -2.47 0.00 0.00 174.74 172.89 2kfw s VAL 117 N 0.82 1.51 -0.04 0.89 1.01 -0.81 0.26 120.40 124.04 2kfw s VAL 117 Ca -0.04 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.93 2kfw s VAL 117 Cb -0.04 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2kfw s VAL 117 CO -0.12 0.00 0.03 0.68 0.00 0.00 0.00 175.10 175.69 2kfw s VAL 118 N -2.88 0.03 0.09 2.92 -7.23 -1.16 -0.43 120.40 111.74 2kfw s VAL 118 Ca 0.24 0.29 0.06 0.00 -1.81 0.00 0.00 61.98 60.76 2kfw s VAL 118 Cb 0.06 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.75 2kfw s VAL 118 CO 0.12 0.17 -0.15 0.68 -0.31 0.00 0.00 175.10 175.61 2kfw s VAL 119 N 1.77 1.26 -0.24 1.32 -7.23 0.18 -0.92 120.40 116.54 2kfw s VAL 119 Ca 0.00 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2kfw s VAL 119 Cb -0.12 -1.24 0.07 0.00 0.56 0.00 0.00 36.38 35.65 2kfw s VAL 119 CO -0.03 -0.22 0.04 1.51 -0.31 0.00 0.00 175.10 176.09 2kfw s ASP 120 N -1.88 3.46 -1.17 4.85 -4.77 -0.80 0.12 116.67 116.48 2kfw s ASP 120 Ca 0.01 -1.17 -0.22 0.00 -3.30 0.00 0.00 52.55 47.87 2kfw s ASP 120 Cb -0.09 -0.78 -0.08 0.00 -1.09 0.00 0.00 42.92 40.88 2kfw s ASP 120 CO 0.03 -0.33 1.92 0.61 0.70 0.00 0.00 175.17 178.09 2kfw n GLY 121 N 4.92 1.29 3.78 2.12 0.00 -1.26 -3.53 105.19 112.51 2kfw n GLY 121 Ca -0.07 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2kfw n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 122 N 6.12 4.19 0.00 1.61 -0.87 -1.26 -4.98 114.94 119.75 2kfw s ASN 122 Ca 0.66 -1.60 0.00 0.00 -1.57 0.00 0.00 52.86 50.35 2kfw s ASN 122 Cb 0.01 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.74 2kfw s ASN 122 CO 0.13 -0.88 0.00 1.57 -2.57 0.00 0.00 177.10 175.35 2kfw n HIS 123 N -1.32 0.00 0.01 2.20 -0.00 -1.26 -4.86 115.22 109.98 2kfw n HIS 123 Ca -0.17 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.83 2kfw n HIS 123 Cb 0.67 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.41 2kfw n HIS 123 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2kfw h MET 124 N 0.00 0.30 -0.14 1.57 1.85 -2.00 -3.47 114.93 113.04 2kfw h MET 124 Ca 0.00 -0.39 0.27 0.00 -0.61 0.00 0.00 59.70 58.97 2kfw h MET 124 Cb 0.00 0.13 -0.25 0.00 0.43 0.00 0.00 31.60 31.91 2kfw h MET 124 CO 0.00 1.11 0.42 -1.17 -0.40 0.00 0.00 176.91 176.87 2kfw s LEU 125 N -8.20 -0.11 0.47 3.39 2.96 -1.26 -5.18 118.68 110.74 2kfw s LEU 125 Ca -0.14 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2kfw s LEU 125 Cb 0.02 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 2kfw s LEU 125 CO 0.80 -0.02 0.03 0.00 -1.32 0.00 0.00 176.35 175.85 2kfw s ALA 126 N 2.45 3.64 -1.37 5.97 0.00 -1.26 -4.68 121.76 126.52 2kfw s ALA 126 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2kfw s ALA 126 Cb -0.04 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2kfw s ALA 126 CO -0.13 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kfw n GLY 127 N -1.12 1.22 2.92 0.00 0.00 -1.19 -4.71 105.19 102.32 2kfw n GLY 127 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2kfw n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfw s GLN 128 N -3.05 2.17 0.23 1.61 1.11 -1.26 -4.86 119.66 115.60 2kfw s GLN 128 Ca 0.00 -2.91 -0.28 0.00 0.01 0.00 0.00 55.36 52.18 2kfw s GLN 128 Cb 0.00 -3.34 -0.16 0.00 -1.01 0.00 0.00 33.01 28.50 2kfw s GLN 128 CO 0.00 -1.18 0.64 0.27 0.01 0.00 0.00 175.29 175.02 2kfw n ASN 129 N 2.64 -0.62 -4.91 5.90 0.23 -1.26 -4.51 115.26 112.73 2kfw n ASN 129 Ca 0.11 1.13 -0.20 0.00 -0.53 0.00 0.00 54.58 55.09 2kfw n ASN 129 Cb 0.33 -1.04 -0.02 0.00 -2.08 0.00 0.00 39.78 36.98 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kfw s LEU 130 N 2.35 3.38 -0.39 -4.53 1.02 -1.26 -4.74 118.68 114.51 2kfw s LEU 130 Ca 0.63 -0.73 -0.21 0.00 0.02 0.00 0.00 54.13 53.83 2kfw s LEU 130 Cb -0.86 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 43.28 2kfw s LEU 130 CO 0.57 -0.74 0.67 -0.54 0.02 0.00 0.00 176.35 176.34 2kfw s LYS 131 N -4.21 3.54 -0.34 1.70 3.01 0.60 -1.39 119.74 122.65 2kfw s LYS 131 Ca 0.49 -0.06 -0.10 0.00 -1.01 0.00 0.00 55.97 55.30 2kfw s LYS 131 Cb -0.04 -3.87 0.01 0.00 -1.01 0.00 0.00 37.83 32.92 2kfw s LYS 131 CO 0.29 -0.88 0.16 0.12 0.51 0.00 0.00 175.35 175.55 2kfw s PHE 132 N 2.86 3.21 0.69 3.18 5.36 0.48 0.29 117.98 134.04 2kfw s PHE 132 Ca 0.25 -0.84 -0.11 0.00 -0.96 0.00 0.00 56.93 55.27 2kfw s PHE 132 Cb -0.14 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 2kfw s PHE 132 CO 0.17 -0.57 1.08 1.21 -1.46 0.00 0.00 175.22 175.65 2kfw s ASN 133 N 1.56 5.60 0.01 6.13 3.84 0.36 -1.60 114.94 130.85 2kfw s ASN 133 Ca 0.03 1.18 -0.19 0.00 0.21 0.00 0.00 52.86 54.08 2kfw s ASN 133 Cb -0.18 -2.03 0.04 0.00 -0.55 0.00 0.00 41.25 38.53 2kfw s ASN 133 CO 0.06 -1.24 0.42 -0.69 -2.79 0.00 0.00 177.10 172.86 2kfw s VAL 134 N -3.32 0.05 -0.25 -5.21 1.01 -0.66 -1.76 120.40 110.26 2kfw s VAL 134 Ca 0.57 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2kfw s VAL 134 Cb -0.11 -0.85 0.14 0.00 0.00 0.00 0.00 36.38 35.56 2kfw s VAL 134 CO 0.52 -0.21 0.39 -0.70 0.00 0.00 0.00 175.10 175.09 2kfw s GLU 135 N -1.88 0.36 0.24 2.72 2.56 0.38 -0.83 118.70 122.24 2kfw s GLU 135 Ca -0.09 0.48 -0.30 0.00 0.00 0.00 0.00 54.97 55.06 2kfw s GLU 135 Cb -0.02 -0.43 -0.09 0.00 2.00 0.00 0.00 34.13 35.59 2kfw s GLU 135 CO 0.02 -0.70 1.02 0.08 -0.56 0.00 0.00 175.26 175.11 2kfw s VAL 136 N 2.55 3.87 -0.11 3.70 1.01 -1.11 -1.73 120.40 128.58 2kfw s VAL 136 Ca 0.12 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2kfw s VAL 136 Cb -0.15 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2kfw s VAL 136 CO -0.18 0.41 -0.10 0.52 0.00 0.00 0.00 175.10 175.75 2kfw n VAL 137 N 1.58 0.63 -3.75 2.92 0.31 -0.10 0.25 118.33 120.17 2kfw n VAL 137 Ca -0.01 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 2kfw n VAL 137 Cb 0.46 -0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.69 -0.28 3.52 0.00 -1.25 -4.47 121.76 116.38 2kfw s ALA 138 Ca -0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kfw s ALA 138 Cb 0.04 0.76 0.14 0.00 0.00 0.00 0.00 23.12 24.06 2kfw s ALA 138 CO 0.25 -0.68 0.33 0.42 0.00 0.00 0.00 175.76 176.07 2kfw s ILE 139 N -3.86 -0.47 0.11 0.00 1.01 -1.25 -3.20 121.20 113.53 2kfw s ILE 139 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.46 2kfw s ILE 139 Cb 0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2kfw s ILE 139 CO -0.07 -0.37 -0.26 -0.13 0.00 0.00 0.00 174.94 174.12 2kfw s ARG 140 N 2.42 1.42 0.88 2.79 1.81 0.02 -4.89 118.95 123.40 2kfw s ARG 140 Ca 0.10 -1.26 -0.11 0.00 -1.72 0.00 0.00 55.73 52.73 2kfw s ARG 140 Cb -0.14 -1.82 0.12 0.00 -0.45 0.00 0.00 34.95 32.67 2kfw s ARG 140 CO -0.29 0.44 1.11 -2.00 -0.68 0.00 0.00 175.30 173.88 2kfw s GLU 141 N -1.86 1.32 0.04 3.54 2.12 -1.26 0.26 118.70 122.85 2kfw s GLU 141 Ca 0.12 1.23 0.03 0.00 0.36 0.00 0.00 54.97 56.72 2kfw s GLU 141 Cb -0.10 -1.79 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 2kfw s GLU 141 CO 0.05 -2.32 -0.02 0.00 -0.54 0.00 0.00 175.26 172.43 2kfw s ALA 142 N -2.77 3.21 1.08 6.30 0.00 -0.05 -4.45 121.76 125.08 2kfw s ALA 142 Ca 0.64 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2kfw s ALA 142 Cb -0.20 -1.22 0.15 0.00 0.00 0.00 0.00 23.12 21.86 2kfw s ALA 142 CO 0.58 0.66 0.67 0.25 0.00 0.00 0.00 175.76 177.92 2kfw n THR 143 N 1.08 0.00 0.02 0.00 -2.24 -1.26 -4.77 114.28 107.11 2kfw n THR 143 Ca -0.13 -0.38 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 2kfw n THR 143 Cb 0.52 -1.37 0.33 0.00 -2.10 0.00 0.00 70.33 67.71 2kfw n THR 143 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kfw h GLU 144 N 0.00 0.47 -0.11 -0.78 4.81 -1.99 -2.55 114.58 114.43 2kfw h GLU 144 Ca -0.24 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 58.72 2kfw h GLU 144 Cb 0.69 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2kfw h GLU 144 CO 0.16 0.50 -0.70 1.49 -0.73 0.00 0.00 179.01 179.73 2kfw h GLU 145 N 0.45 0.48 -0.16 1.92 4.81 -1.98 -1.33 114.58 118.77 2kfw h GLU 145 Ca 0.10 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2kfw h GLU 145 Cb 0.30 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2kfw h GLU 145 CO 0.01 1.00 0.09 0.93 -0.73 0.00 0.00 179.01 180.30 2kfw h GLU 146 N 0.33 0.18 0.00 1.92 5.08 -1.70 -1.66 114.58 118.72 2kfw h GLU 146 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2kfw h GLU 146 Cb 1.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2kfw h GLU 146 CO 0.13 0.12 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.98 2kfw h LEU 147 N 0.18 0.00 0.31 1.33 -0.00 -1.53 0.13 115.31 115.74 2kfw h LEU 147 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 2kfw h LEU 147 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2kfw h LEU 147 CO -0.04 0.20 -0.15 0.00 -0.00 0.00 0.00 178.44 178.46 2kfw h ALA 148 N 1.80 -0.41 -0.00 1.53 0.00 -0.33 -2.50 119.26 119.35 2kfw h ALA 148 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kfw h ALA 148 Cb 0.86 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kfw h ALA 148 CO 0.03 -0.66 -0.06 0.72 0.00 0.00 0.00 179.25 179.27 2kfw n HIS 149 N -5.21 0.00 0.00 0.00 8.25 -0.85 -4.89 115.22 112.52 2kfw n HIS 149 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2kfw n HIS 149 Cb 0.22 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.22 3.06 3.76 -1.41 0.00 -0.79 -4.75 105.19 106.28 2kfw n GLY 150 Ca 0.17 0.00 -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 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 151 N -0.35 -2.33 -4.09 1.61 1.44 0.40 -4.43 115.22 107.46 2kfw n HIS 151 Ca 0.00 -1.84 -0.36 0.00 -2.01 0.00 0.00 57.72 53.51 2kfw n HIS 151 Cb 0.00 0.92 -0.08 0.00 0.12 0.00 0.00 29.99 30.95 2kfw n HIS 151 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfw s VAL 152 N -2.10 4.96 0.14 0.61 0.11 -1.26 -4.57 120.40 118.30 2kfw s VAL 152 Ca 0.16 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2kfw s VAL 152 Cb -0.05 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 2kfw s VAL 152 CO 0.12 0.60 0.00 1.57 -3.33 0.00 0.00 175.10 174.06 2kfw n HIS 153 N 2.17 -4.47 0.00 1.54 -0.00 -1.26 -4.97 115.22 108.24 2kfw n HIS 153 Ca -0.19 2.68 0.00 0.00 -0.00 0.00 0.00 57.72 60.21 2kfw n HIS 153 Cb 0.54 -3.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.14 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 154 N 1.92 0.01 3.32 1.57 0.00 -1.26 -5.09 105.19 105.65 2kfw n GLY 154 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw s ALA 155 N -0.36 1.92 0.04 4.61 0.00 -1.25 -4.79 121.76 121.92 2kfw s ALA 155 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 2kfw s ALA 155 Cb 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 23.12 22.81 2kfw s ALA 155 CO 0.00 0.19 1.46 1.25 0.00 0.00 0.00 175.76 178.65 2kfw h HIS 156 N 3.19 0.13 0.00 0.00 6.17 -1.93 -3.08 115.15 119.64 2kfw h HIS 156 Ca -0.41 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 60.64 2kfw h HIS 156 Cb 1.21 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.10 2kfw h HIS 156 CO 0.68 0.40 -0.21 0.38 0.71 0.00 0.00 177.93 179.89 2kfw h ASP 157 N -0.17 0.00 -0.77 3.26 3.04 -1.97 -3.46 116.42 116.34 2kfw h ASP 157 Ca 0.02 -0.02 -0.56 0.00 -3.24 0.00 0.00 57.03 53.24 2kfw h ASP 157 Cb 0.34 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.60 2kfw h ASP 157 CO 0.00 0.01 -0.29 -1.00 -2.04 0.00 0.00 179.24 175.92 2kfw s HIS 158 N -3.21 1.79 0.54 4.15 3.76 -1.16 -5.01 115.29 116.15 2kfw s HIS 158 Ca 0.06 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2kfw s HIS 158 Cb 0.08 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2kfw s HIS 158 CO 0.68 -0.49 0.00 0.72 -0.85 0.00 0.00 174.74 174.80 2kfw n HIS 159 N -1.78 -4.50 -3.40 1.40 8.25 -1.26 -3.96 115.22 109.97 2kfw n HIS 159 Ca 0.02 2.40 -0.45 0.00 -0.26 0.00 0.00 57.72 59.43 2kfw n HIS 159 Cb 0.64 -3.59 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 2kfw n HIS 159 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kfw s HIS 160 N -3.62 3.77 -0.54 4.41 0.09 -1.26 -4.89 115.29 113.25 2kfw s HIS 160 Ca 0.00 -2.22 0.07 0.00 -0.00 0.00 0.00 55.06 52.91 2kfw s HIS 160 Cb 0.00 -3.70 0.28 0.00 -0.00 0.00 0.00 32.58 29.15 2kfw s HIS 160 CO 0.00 -0.95 0.73 -0.25 -0.00 0.00 0.00 174.74 174.27 2kfw n ASP 161 N 3.69 2.74 0.04 1.40 9.92 -1.26 -4.65 116.55 128.43 2kfw n ASP 161 Ca 0.14 -3.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 2kfw n ASP 161 Cb 0.44 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2kfw n HIS 162 N 0.71 -0.64 -1.72 1.24 -0.00 -1.26 -5.05 115.22 108.50 2kfw n HIS 162 Ca 0.27 0.11 -0.01 0.00 0.46 0.00 0.00 57.72 58.56 2kfw n HIS 162 Cb 0.46 0.43 -0.01 0.00 -0.12 0.00 0.00 29.99 30.75 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2kfw n ASP 163 N -2.80 -0.20 0.00 0.26 5.68 -1.26 -4.98 116.55 113.26 2kfw n ASP 163 Ca 0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 2kfw n ASP 163 Cb 0.00 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2kfw n HIS 164 N -0.04 0.00 0.00 2.11 8.25 -1.26 -5.02 115.22 119.26 2kfw n HIS 164 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kfw n HIS 164 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2kfw n HIS 164 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 165 N -0.35 0.00 0.00 0.41 -0.08 -1.26 -4.44 116.55 110.83 2kfw n ASP 165 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2kfw n ASP 165 Cb 0.04 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kfw n GLY 166 N 0.00 -1.09 5.00 0.27 0.00 -1.26 -4.83 105.19 103.28 2kfw n GLY 166 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.96 -2.21 2.01 0.00 0.00 -1.16 -4.85 105.19 98.02 2kfw n GLY 169 Ca -0.06 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 2.78 3.99 3.54 -0.02 0.00 -1.26 -4.89 105.19 109.33 2kfw n GLY 170 Ca 0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 2kfw n GLY 170 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 171 N 0.66 0.92 -3.64 1.61 -0.00 -1.26 -4.75 115.22 108.76 2kfw n HIS 171 Ca 0.33 -0.02 -0.03 0.00 0.46 0.00 0.00 57.72 58.45 2kfw n HIS 171 Cb 0.58 -2.19 -0.05 0.00 -0.12 0.00 0.00 29.99 28.21 2kfw n HIS 171 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2kfw s GLY 172 N 8.57 0.17 -0.37 1.57 0.00 -1.26 -5.10 107.32 110.90 2kfw s GLY 172 Ca 0.99 3.07 -0.39 0.00 0.00 0.00 0.00 44.72 48.38 2kfw s GLY 172 CO 0.18 1.47 2.04 1.57 0.00 0.00 0.00 173.10 178.36 2kfw n HIS 173 N 1.03 1.62 -0.06 1.90 -0.00 -1.26 -4.83 115.22 113.62 2kfw n HIS 173 Ca -0.05 0.50 -0.06 0.00 0.46 0.00 0.00 57.72 58.57 2kfw n HIS 173 Cb 0.58 -2.44 -0.02 0.00 -0.12 0.00 0.00 29.99 27.99 2kfw n HIS 173 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kfw n ASP 174 N 7.85 1.33 -4.51 0.26 -0.08 -1.26 -4.84 116.55 115.30 2kfw n ASP 174 Ca 0.40 0.26 -0.37 0.00 -1.51 0.00 0.00 54.79 53.57 2kfw n ASP 174 Cb 0.12 -0.68 -0.13 0.00 2.34 0.00 0.00 41.12 42.78 2kfw n ASP 174 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2kfw n HIS 175 N -3.86 0.72 -2.72 -0.67 -0.00 -1.26 -4.65 115.22 102.79 2kfw n HIS 175 Ca -0.09 0.28 -0.00 0.00 0.46 0.00 0.00 57.72 58.37 2kfw n HIS 175 Cb 0.34 -2.28 0.06 0.00 -0.12 0.00 0.00 29.99 27.99 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 6.31 1.67 0.00 1.57 0.00 -1.26 -5.06 105.19 108.42 2kfw n GLY 176 Ca 0.59 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kfw n GLY 176 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 177 N -0.61 0.00 -2.78 1.61 1.44 -1.26 -5.06 115.22 108.56 2kfw n HIS 177 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kfw n HIS 177 Cb 0.86 0.00 0.07 0.00 0.12 0.00 0.00 29.99 31.04 2kfw n HIS 177 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2kfw n GLU 178 N 0.00 1.56 0.14 -1.40 0.28 -1.26 -4.91 120.64 115.05 2kfw n GLU 178 Ca 0.00 -2.89 -0.24 0.00 -0.16 0.00 0.00 57.16 53.87 2kfw n GLU 178 Cb 0.00 -1.05 -0.16 0.00 1.43 0.00 0.00 31.44 31.66 2kfw n GLU 178 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kfw h HIS 179 N 2.14 0.95 0.00 -1.84 3.86 -1.93 -3.43 115.15 114.90 2kfw h HIS 179 Ca -0.22 -0.69 0.00 0.00 -1.16 0.00 0.00 60.37 58.30 2kfw h HIS 179 Cb 1.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2kfw h HIS 179 CO 0.35 1.57 0.00 0.41 0.86 0.00 0.00 177.93 181.12 2kfw n GLY 180 N 1.73 2.10 0.88 2.45 0.00 -1.26 -5.07 105.19 106.02 2kfw n GLY 180 Ca -0.18 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N 0.00 0.69 2.53 -0.02 0.00 -1.26 -5.09 105.19 102.04 2kfw n GLY 181 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2kfw n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kfw n GLU 182 N 0.05 -3.74 0.00 1.61 0.00 -1.26 -4.75 120.64 112.55 2kfw n GLU 182 Ca -0.16 2.81 0.00 0.00 0.00 0.00 0.00 57.16 59.81 2kfw n GLU 182 Cb 0.69 -3.75 0.00 0.00 0.00 0.00 0.00 31.44 28.37 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kfw n GLY 183 N 1.94 1.81 3.07 8.31 0.00 -1.26 -5.12 105.19 113.94 2kfw n GLY 183 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.76 -4.18 1.07 0.00 0.00 -1.26 -4.88 105.19 95.19 2kfw n GLY 186 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2kfw n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 187 N 0.83 -0.36 3.68 -0.02 0.00 -1.26 -4.80 105.19 103.26 2kfw n GLY 187 Ca -0.04 0.02 -0.61 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.09 0.66 -3.43 1.61 5.02 -1.26 -4.93 118.16 113.75 2kfw n LYS 188 Ca 0.00 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.34 2kfw n LYS 188 Cb 0.00 -1.87 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2kfw n LYS 188 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kfw s GLY 189 N 3.76 1.62 -0.24 0.72 0.00 -1.26 -5.08 107.32 106.84 2kfw s GLY 189 Ca 1.03 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.13 2kfw s GLY 189 CO 0.71 -1.38 0.36 -1.31 0.00 0.00 0.00 173.10 171.48 2kfw s ASN 190 N -4.19 6.30 -1.38 1.64 0.01 -1.26 -4.21 114.94 111.86 2kfw s ASN 190 Ca 0.46 0.35 -0.05 0.00 -0.71 0.00 0.00 52.86 52.91 2kfw s ASN 190 Cb -0.10 -2.21 0.03 0.00 0.41 0.00 0.00 41.25 39.39 2kfw s ASN 190 CO 0.31 -0.12 0.40 0.61 -1.51 0.00 0.00 177.10 176.80 2kfw n GLY 191 N 4.37 -0.50 7.00 0.66 0.00 -1.26 -4.63 105.19 110.83 2kfw n GLY 191 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.22 0.10 2.07 -0.02 0.00 -1.26 -4.79 105.19 100.07 2kfw n GLY 192 Ca -0.09 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.87 2.88 1.39 0.00 0.00 -1.26 -5.16 105.19 102.17 2kfw n GLY 194 Ca -0.12 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 45.97 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32