#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 0.82 0.77 3.17 -2.85 -1.26 -4.68 119.74 115.71 2kfw s LYS 2 Ca 0.00 -0.84 -0.16 0.00 -1.00 0.00 0.00 55.97 53.98 2kfw s LYS 2 Cb 0.00 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2kfw s LYS 2 CO 0.00 -0.26 0.47 1.55 0.10 0.00 0.00 175.35 177.21 2kfw n VAL 3 N 0.14 1.37 -3.89 1.79 3.14 -1.26 -4.84 118.33 114.77 2kfw n VAL 3 Ca -0.16 -0.36 -0.11 0.00 -2.96 0.00 0.00 64.34 60.75 2kfw n VAL 3 Cb 0.61 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.01 -0.29 -0.09 1.55 0.00 -1.26 -4.08 121.76 115.58 2kfw s ALA 4 Ca 0.63 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2kfw s ALA 4 Cb -0.32 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 2kfw s ALA 4 CO 0.60 -0.93 2.62 1.17 0.00 0.00 0.00 175.76 179.23 2kfw n LYS 5 N -0.54 1.58 0.00 0.00 4.81 -1.25 -3.59 118.16 119.18 2kfw n LYS 5 Ca -0.05 -0.78 0.00 0.00 -0.87 0.00 0.00 58.31 56.61 2kfw n LYS 5 Cb 0.60 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.12 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2kfw n ASP 6 N 1.61 0.00 -3.70 3.14 5.75 -1.17 -3.81 116.55 118.37 2kfw n ASP 6 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.74 2kfw n ASP 6 Cb 0.66 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.00 1.01 0.04 -2.12 1.02 -1.24 -3.06 118.68 114.33 2kfw s LEU 7 Ca 0.00 -0.84 -0.36 0.00 0.02 0.00 0.00 54.13 52.95 2kfw s LEU 7 Cb 0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 46.19 45.55 2kfw s LEU 7 CO 0.00 -0.33 1.55 0.55 0.02 0.00 0.00 176.35 178.14 2kfw n VAL 8 N 5.10 0.12 -3.75 -1.59 3.14 0.82 -3.73 118.33 118.44 2kfw n VAL 8 Ca -0.08 -0.02 -0.14 0.00 -2.96 0.00 0.00 64.34 61.14 2kfw n VAL 8 Cb 0.47 -1.26 -0.15 0.00 -1.06 0.00 0.00 33.84 31.84 2kfw n VAL 8 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kfw s VAL 9 N 1.53 -0.05 -0.37 1.55 0.11 -1.03 0.59 120.40 122.73 2kfw s VAL 9 Ca 0.86 0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.92 2kfw s VAL 9 Cb -0.84 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2kfw s VAL 9 CO 0.47 0.07 0.45 -0.44 -3.33 0.00 0.00 175.10 172.33 2kfw s SER 10 N 1.13 6.24 -0.18 3.54 0.01 -1.17 -3.13 113.70 120.14 2kfw s SER 10 Ca -0.09 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2kfw s SER 10 Cb -0.11 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 63.93 2kfw s SER 10 CO -0.05 -0.48 0.01 -0.22 0.41 0.00 0.00 173.24 172.90 2kfw s LEU 11 N 2.23 1.38 0.54 2.44 0.20 -1.15 0.06 118.68 124.37 2kfw s LEU 11 Ca 0.15 -0.76 -0.16 0.00 0.69 0.00 0.00 54.13 54.04 2kfw s LEU 11 Cb -0.16 -0.71 -0.07 0.00 -0.43 0.00 0.00 46.19 44.82 2kfw s LEU 11 CO 0.13 -0.26 1.01 0.00 -0.29 0.00 0.00 176.35 176.94 2kfw s ALA 12 N 1.77 2.98 -0.23 5.97 0.00 -1.15 -2.46 121.76 128.64 2kfw s ALA 12 Ca -0.01 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 2kfw s ALA 12 Cb -0.16 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2kfw s ALA 12 CO -0.07 -0.41 0.59 1.52 0.00 0.00 0.00 175.76 177.38 2kfw s TYR 13 N -2.60 -0.71 -0.17 0.00 1.13 -1.19 -1.92 117.35 111.88 2kfw s TYR 13 Ca 0.60 1.64 -0.06 0.00 -1.41 0.00 0.00 57.07 57.84 2kfw s TYR 13 Cb -0.12 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2kfw s TYR 13 CO 0.34 -0.35 0.02 -1.14 -2.51 0.00 0.00 175.55 171.92 2kfw s GLN 14 N 0.61 3.85 0.17 -3.49 0.74 -1.00 -1.40 119.66 119.15 2kfw s GLN 14 Ca -0.02 -0.41 0.10 0.00 0.05 0.00 0.00 55.36 55.08 2kfw s GLN 14 Cb -0.05 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2kfw s GLN 14 CO -0.04 0.25 -0.20 0.54 -0.55 0.00 0.00 175.29 175.30 2kfw s VAL 15 N 0.39 2.64 -0.17 1.34 0.11 -0.79 -1.79 120.40 122.13 2kfw s VAL 15 Ca 0.00 -1.82 -0.18 0.00 -2.93 0.00 0.00 61.98 57.05 2kfw s VAL 15 Cb -0.13 -2.26 0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2kfw s VAL 15 CO 0.01 -0.05 0.51 -0.60 -3.33 0.00 0.00 175.10 171.64 2kfw s ARG 16 N -2.55 0.63 0.36 1.54 3.00 -0.84 -3.66 118.95 117.43 2kfw s ARG 16 Ca 0.21 0.63 -0.13 0.00 -1.00 0.00 0.00 55.73 55.43 2kfw s ARG 16 Cb -0.09 0.31 -0.08 0.00 0.00 0.00 0.00 34.95 35.09 2kfw s ARG 16 CO 0.11 -0.09 0.75 0.95 0.00 0.00 0.00 175.30 177.02 2kfw s THR 17 N 0.08 4.72 0.47 4.11 -4.23 0.30 -3.12 115.64 117.98 2kfw s THR 17 Ca -0.02 0.83 0.19 0.00 -1.18 0.00 0.00 61.69 61.51 2kfw s THR 17 Cb -0.03 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.51 2kfw s THR 17 CO 0.01 -0.32 1.98 -0.33 -0.54 0.00 0.00 174.62 175.42 2kfw h GLU 18 N 1.86 0.24 0.00 3.99 3.07 -1.87 0.20 114.58 122.06 2kfw h GLU 18 Ca -0.48 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2kfw h GLU 18 Cb 1.18 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2kfw h GLU 18 CO 0.65 0.16 0.02 -0.25 -1.40 0.00 0.00 179.01 178.19 2kfw n ASP 19 N -4.44 0.36 -0.01 1.42 8.00 -1.26 -4.75 116.55 115.86 2kfw n ASP 19 Ca 0.10 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.26 2kfw n ASP 19 Cb 0.48 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.36 1.66 3.32 0.44 0.00 0.68 -5.10 105.19 104.84 2kfw n GLY 20 Ca -0.01 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.02 2.02 -0.30 1.61 1.01 -1.17 -4.93 120.40 116.63 2kfw s VAL 21 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 2kfw s VAL 21 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2kfw s VAL 21 CO 0.00 0.30 0.20 -0.76 0.00 0.00 0.00 175.10 174.83 2kfw s LEU 22 N -1.31 4.14 -0.03 3.92 1.02 -1.26 0.11 118.68 125.28 2kfw s LEU 22 Ca 0.11 -0.19 -0.21 0.00 0.02 0.00 0.00 54.13 53.86 2kfw s LEU 22 Cb -0.10 -2.10 -0.28 0.00 0.02 0.00 0.00 46.19 43.73 2kfw s LEU 22 CO 0.02 -0.12 0.98 0.58 0.02 0.00 0.00 176.35 177.84 2kfw h VAL 23 N 5.44 1.48 -2.67 -1.59 2.07 -1.93 -3.49 116.25 115.57 2kfw h VAL 23 Ca -0.34 -2.33 0.01 0.00 0.82 0.00 0.00 66.70 64.86 2kfw h VAL 23 Cb 1.18 2.95 -0.14 0.00 -1.52 0.00 0.00 31.29 33.76 2kfw h VAL 23 CO 0.58 0.67 0.29 -0.62 0.02 0.00 0.00 177.57 178.51 2kfw s ASP 24 N -6.85 -0.52 -0.14 0.57 -1.08 -1.26 -5.08 116.67 102.31 2kfw s ASP 24 Ca -0.14 0.09 -0.07 0.00 -0.52 0.00 0.00 52.55 51.91 2kfw s ASP 24 Cb 0.02 0.53 0.05 0.00 -1.46 0.00 0.00 42.92 42.06 2kfw s ASP 24 CO 0.82 -0.83 0.32 -1.61 0.52 0.00 0.00 175.17 174.40 2kfw s GLU 25 N -3.25 0.29 -0.34 4.34 8.01 -1.26 -1.89 118.70 124.60 2kfw s GLU 25 Ca 0.01 0.68 -0.09 0.00 0.01 0.00 0.00 54.97 55.58 2kfw s GLU 25 Cb -0.01 -0.05 0.02 0.00 -4.31 0.00 0.00 34.13 29.78 2kfw s GLU 25 CO -0.09 -0.17 0.15 -1.12 0.01 0.00 0.00 175.26 174.03 2kfw s SER 26 N 1.47 5.47 0.70 -0.19 0.01 -0.49 -4.96 113.70 115.70 2kfw s SER 26 Ca -0.08 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 2kfw s SER 26 Cb -0.10 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.19 2kfw s SER 26 CO -0.11 -0.29 1.07 -2.16 0.41 0.00 0.00 173.24 172.17 2kfw s PRO 27 N 1.52 2.81 0.57 12.44 0.04 -1.26 -3.19 135.00 147.93 2kfw s PRO 27 Ca 0.02 1.10 0.26 0.00 0.04 0.00 0.00 61.00 62.41 2kfw s PRO 27 Cb -0.18 -1.97 1.62 0.00 0.04 0.00 0.00 34.50 34.01 2kfw s PRO 27 CO 0.05 -1.21 2.18 0.28 0.04 0.00 0.00 177.00 178.33 2kfw h VAL 28 N -0.56 0.64 0.00 -0.36 2.07 -1.98 0.17 116.25 116.23 2kfw h VAL 28 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2kfw h VAL 28 Cb 1.22 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2kfw h VAL 28 CO 0.55 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.60 2kfw n SER 29 N -4.03 0.00 -2.82 0.57 3.41 -1.26 -4.03 113.62 105.46 2kfw n SER 29 Ca -0.01 -0.82 -0.11 0.00 -0.26 0.00 0.00 58.87 57.67 2kfw n SER 29 Cb 0.18 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kfw n ALA 30 N -1.03 -0.37 -1.44 7.33 0.00 0.58 -5.14 120.51 120.43 2kfw n ALA 30 Ca 0.21 -1.80 -0.30 0.00 0.00 0.00 0.00 53.44 51.55 2kfw n ALA 30 Cb 0.12 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.52 2kfw n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kfw s PRO 31 N -0.11 2.00 -0.95 0.00 0.04 -1.11 -4.17 135.00 130.71 2kfw s PRO 31 Ca 0.27 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 2kfw s PRO 31 Cb 0.29 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2kfw s PRO 31 CO -0.09 -1.71 1.70 -1.17 0.04 0.00 0.00 177.00 175.77 2kfw s LEU 32 N -5.87 3.33 -0.55 -3.56 1.98 -1.03 -4.63 118.68 108.34 2kfw s LEU 32 Ca 0.61 -1.01 -0.23 0.00 -2.89 0.00 0.00 54.13 50.62 2kfw s LEU 32 Cb -0.15 -2.56 0.05 0.00 0.66 0.00 0.00 46.19 44.18 2kfw s LEU 32 CO 0.55 -2.14 0.87 -0.62 -1.89 0.00 0.00 176.35 173.12 2kfw s ASP 33 N 6.50 6.29 0.26 3.68 2.15 -1.26 -2.94 116.67 131.36 2kfw s ASP 33 Ca 0.58 -0.55 -0.21 0.00 0.43 0.00 0.00 52.55 52.79 2kfw s ASP 33 Cb -0.04 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.21 2kfw s ASP 33 CO -0.04 -1.17 0.71 -0.31 -0.17 0.00 0.00 175.17 174.19 2kfw s TYR 34 N 3.65 -0.24 -0.74 -5.34 2.02 -1.18 -4.90 117.35 110.62 2kfw s TYR 34 Ca 0.26 -0.17 -0.26 0.00 -0.37 0.00 0.00 57.07 56.53 2kfw s TYR 34 Cb -0.15 0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 42.04 2kfw s TYR 34 CO 0.16 -1.16 2.04 -1.17 -1.57 0.00 0.00 175.55 173.85 2kfw s LEU 35 N -2.89 3.19 0.52 -1.29 2.96 -1.26 -2.46 118.68 117.45 2kfw s LEU 35 Ca 0.09 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 2kfw s LEU 35 Cb -0.05 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 2kfw s LEU 35 CO 0.04 -2.81 1.38 -1.00 -1.32 0.00 0.00 176.35 172.64 2kfw s HIS 36 N 10.69 2.32 0.00 5.38 3.76 -1.24 -2.67 115.29 133.53 2kfw s HIS 36 Ca 0.76 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 57.01 2kfw s HIS 36 Cb -0.11 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 29.74 2kfw s HIS 36 CO 0.11 -2.94 0.00 0.41 -0.85 0.00 0.00 174.74 171.47 2kfw n GLY 37 N 0.69 1.17 3.03 -2.22 0.00 -1.26 -3.07 105.19 103.53 2kfw n GLY 37 Ca 0.09 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 38 N 0.00 3.48 0.00 1.61 5.65 -1.09 -4.76 115.29 120.18 2kfw s HIS 38 Ca 0.00 -3.00 0.00 0.00 0.25 0.00 0.00 55.06 52.31 2kfw s HIS 38 Cb 0.00 -3.03 0.00 0.00 -1.18 0.00 0.00 32.58 28.37 2kfw s HIS 38 CO 0.00 -0.74 0.00 0.41 -0.65 0.00 0.00 174.74 173.76 2kfw n GLY 39 N 2.88 -2.17 0.38 1.59 0.00 -1.14 -4.47 105.19 102.27 2kfw n GLY 39 Ca 0.12 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 0.00 1.61 2.88 -1.26 -4.97 113.62 111.88 2kfw n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kfw n SER 40 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kfw n LEU 41 N -1.46 0.00 -3.71 2.46 4.77 -1.26 -4.61 117.00 113.19 2kfw n LEU 41 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2kfw n LEU 41 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2kfw n LEU 41 CO 0.00 0.00 0.09 0.27 -1.33 0.00 0.00 177.39 176.42 2kfw s ILE 42 N 0.00 -0.01 0.08 -0.08 -4.36 -1.26 -5.05 121.20 110.52 2kfw s ILE 42 Ca 0.00 0.03 -0.20 0.00 -0.26 0.00 0.00 60.65 60.23 2kfw s ILE 42 Cb 0.00 -0.61 -0.09 0.00 1.25 0.00 0.00 42.46 43.01 2kfw s ILE 42 CO 0.00 0.01 1.53 0.77 0.24 0.00 0.00 174.94 177.50 2kfw h SER 43 N 6.09 0.35 -0.71 4.36 4.64 -1.83 0.17 113.55 126.62 2kfw h SER 43 Ca -0.31 -0.28 0.16 0.00 -0.47 0.00 0.00 61.79 60.89 2kfw h SER 43 Cb 1.18 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 2kfw h SER 43 CO 0.26 0.54 0.10 1.23 -0.87 0.00 0.00 176.83 178.09 2kfw h GLY 44 N 0.14 0.91 2.00 -0.77 0.00 -1.98 0.12 103.07 103.49 2kfw h GLY 44 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 2kfw h GLY 44 CO 0.01 -0.22 -0.71 -2.00 0.00 0.00 0.00 176.54 173.61 2kfw h LEU 45 N 0.20 0.00 -0.12 3.11 5.85 -1.77 -3.33 115.31 119.24 2kfw h LEU 45 Ca 0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.16 2kfw h LEU 45 Cb 0.68 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2kfw h LEU 45 CO -0.55 0.71 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.85 2kfw h GLU 46 N 0.00 -0.41 -1.03 1.25 4.22 0.21 0.14 114.58 118.96 2kfw h GLU 46 Ca -0.01 0.03 0.28 0.00 0.08 0.00 0.00 59.36 59.74 2kfw h GLU 46 Cb 1.53 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.75 2kfw h GLU 46 CO 0.09 -0.27 0.63 0.00 -2.18 0.00 0.00 179.01 177.28 2kfw h THR 47 N -0.42 0.47 0.00 0.32 1.03 -1.60 1.01 112.91 113.72 2kfw h THR 47 Ca 0.09 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 66.28 2kfw h THR 47 Cb 0.57 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.61 2kfw h THR 47 CO -0.36 0.08 -0.26 0.00 -0.01 0.00 0.00 175.52 174.97 2kfw h ALA 48 N 1.71 0.95 0.00 0.00 0.00 -1.19 -3.10 119.26 117.64 2kfw h ALA 48 Ca 0.66 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 2kfw h ALA 48 Cb 1.46 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2kfw h ALA 48 CO -0.45 0.33 -1.25 -0.07 0.00 0.00 0.00 179.25 177.82 2kfw h LEU 49 N 0.00 0.00 -9.42 0.00 3.38 0.22 -3.46 115.31 106.02 2kfw h LEU 49 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.35 2kfw h LEU 49 Cb 0.89 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.69 2kfw h LEU 49 CO 0.03 0.89 0.72 -0.62 0.09 0.00 0.00 178.44 179.55 2kfw n GLU 50 N -3.17 1.85 -2.14 1.13 1.02 0.23 -4.17 120.64 115.39 2kfw n GLU 50 Ca -0.07 0.67 -0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2kfw n GLU 50 Cb 0.94 -2.40 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfw n GLY 51 N 3.22 -5.38 0.00 0.62 0.00 -1.26 -4.95 105.19 97.44 2kfw n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2kfw n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 52 N 1.54 0.00 -0.85 1.61 8.25 -1.26 -4.92 115.22 119.59 2kfw n HIS 52 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kfw n HIS 52 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2kfw n GLU 53 N -1.26 -2.28 -1.84 -0.41 2.13 -1.26 -4.13 120.64 111.59 2kfw n GLU 53 Ca 0.00 1.75 -0.42 0.00 0.66 0.00 0.00 57.16 59.15 2kfw n GLU 53 Cb 0.00 -2.13 -0.03 0.00 0.27 0.00 0.00 31.44 29.55 2kfw n GLU 53 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kfw s VAL 54 N -4.31 2.96 0.00 6.31 -7.23 -1.26 -2.25 120.40 114.62 2kfw s VAL 54 Ca 0.00 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2kfw s VAL 54 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2kfw s VAL 54 CO 0.00 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2kfw n GLY 55 N 4.16 0.89 3.22 2.32 0.00 -1.08 -5.02 105.19 109.68 2kfw n GLY 55 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 5.93 -0.02 1.61 -1.08 -0.95 -5.00 116.67 115.45 2kfw s ASP 56 Ca 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 52.55 49.56 2kfw s ASP 56 Cb 0.00 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.38 2kfw s ASP 56 CO 0.00 -0.56 0.11 -1.59 0.52 0.00 0.00 175.17 173.64 2kfw s LYS 57 N 0.54 3.18 0.00 4.34 -2.85 -1.26 -3.80 119.74 119.88 2kfw s LYS 57 Ca 0.13 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 2kfw s LYS 57 Cb -0.19 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 2kfw s LYS 57 CO -0.04 0.67 0.00 1.97 0.10 0.00 0.00 175.35 178.05 2kfw n PHE 58 N 1.24 0.00 -3.76 1.78 -1.74 -0.91 -4.99 117.46 109.08 2kfw n PHE 58 Ca -0.13 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.63 2kfw n PHE 58 Cb 0.53 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.40 2kfw n PHE 58 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2kfw s ASP 59 N 1.36 -0.19 -0.01 5.98 -1.08 -1.26 -2.56 116.67 118.90 2kfw s ASP 59 Ca 0.00 0.41 -0.06 0.00 -0.52 0.00 0.00 52.55 52.38 2kfw s ASP 59 Cb 0.00 0.33 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 2kfw s ASP 59 CO 0.00 -0.13 0.12 -0.69 0.52 0.00 0.00 175.17 174.99 2kfw s VAL 60 N 0.84 0.07 -0.26 1.11 1.01 -1.16 -5.01 120.40 117.00 2kfw s VAL 60 Ca -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2kfw s VAL 60 Cb -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2kfw s VAL 60 CO -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 174.76 2kfw s ALA 61 N -1.02 2.89 -0.20 5.51 0.00 -1.26 -3.02 121.76 124.66 2kfw s ALA 61 Ca -0.11 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.42 2kfw s ALA 61 Cb -0.06 -1.89 0.09 0.00 0.00 0.00 0.00 23.12 21.27 2kfw s ALA 61 CO 0.01 -0.74 0.41 0.14 0.00 0.00 0.00 175.76 175.58 2kfw s VAL 62 N 1.45 -0.64 0.27 0.00 -7.23 -1.15 -4.95 120.40 108.16 2kfw s VAL 62 Ca 0.03 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2kfw s VAL 62 Cb -0.16 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2kfw s VAL 62 CO -0.01 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2kfw n GLY 63 N 5.39 -1.82 0.21 2.32 0.00 -1.26 -4.52 105.19 105.50 2kfw n GLY 63 Ca -0.08 0.42 0.10 0.00 0.00 0.00 0.00 46.02 46.46 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw h ALA 64 N 0.00 0.91 0.00 4.61 0.00 -1.89 0.72 119.26 123.61 2kfw h ALA 64 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2kfw h ALA 64 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2kfw h ALA 64 CO 0.00 0.21 -0.96 -0.97 0.00 0.00 0.00 179.25 177.53 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -1.24 -1.94 -2.95 115.58 109.46 2kfw h ASN 65 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kfw h ASN 65 Cb 1.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2kfw h ASN 65 CO 0.02 0.88 0.00 0.47 -1.29 0.00 0.00 177.43 177.51 2kfw n ASP 66 N -3.28 0.00 0.00 1.15 8.00 -1.20 -4.93 116.55 116.29 2kfw n ASP 66 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kfw n ASP 66 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n ALA 67 N 0.00 0.00 -0.05 2.24 0.00 -0.85 -3.96 120.51 117.89 2kfw n ALA 67 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kfw n ALA 67 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.66 0.00 0.00 0.00 4.01 -0.85 -4.97 117.16 114.70 2kfw n TYR 68 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kfw n TYR 68 Cb 0.00 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 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 2.34 0.78 3.29 2.72 0.00 0.24 -4.92 105.19 109.65 2kfw n GLY 69 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -1.44 -1.42 1.61 1.13 -1.12 -4.80 117.38 111.34 2kfw n GLN 70 Ca 0.00 1.18 -0.44 0.00 -1.94 0.00 0.00 57.00 55.80 2kfw n GLN 70 Cb 0.00 -4.89 -0.01 0.00 0.11 0.00 0.00 30.24 25.45 2kfw n GLN 70 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2kfw n TYR 71 N -2.32 -0.63 -3.50 1.08 0.18 -1.26 -4.88 117.16 105.83 2kfw n TYR 71 Ca -0.08 0.74 -0.42 0.00 1.88 0.00 0.00 57.90 60.01 2kfw n TYR 71 Cb 0.56 -1.97 -0.05 0.00 -0.38 0.00 0.00 39.34 37.50 2kfw n TYR 71 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kfw s ASP 72 N -0.92 6.07 0.65 9.48 2.15 -1.26 -4.89 116.67 127.94 2kfw s ASP 72 Ca 0.62 -2.74 0.27 0.00 0.43 0.00 0.00 52.55 51.13 2kfw s ASP 72 Cb -0.73 -2.05 1.48 0.00 -0.30 0.00 0.00 42.92 41.32 2kfw s ASP 72 CO 0.59 -0.49 1.84 -0.33 -0.17 0.00 0.00 175.17 176.61 2kfw h GLU 73 N 7.47 0.00 0.00 4.34 4.39 -1.99 0.78 114.58 129.57 2kfw h GLU 73 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kfw h GLU 73 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2kfw h GLU 73 CO 0.74 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.68 2kfw n ASN 74 N -3.01 0.00 -0.23 1.42 5.03 -1.26 -4.34 115.26 112.87 2kfw n ASN 74 Ca 0.00 -1.33 -0.05 0.00 0.87 0.00 0.00 54.58 54.07 2kfw n ASN 74 Cb 0.48 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.20 2kfw n ASN 74 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2kfw n LEU 75 N -0.79 -0.55 -4.51 3.41 0.00 0.27 -2.82 117.00 112.01 2kfw n LEU 75 Ca 0.13 1.01 -0.42 0.00 0.00 0.00 0.00 56.01 56.73 2kfw n LEU 75 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 43.42 43.29 2kfw n LEU 75 CO 0.10 -0.84 1.12 -0.69 0.00 0.00 0.00 177.39 177.08 2kfw s VAL 76 N -5.34 4.10 0.31 1.96 1.01 -1.25 -3.57 120.40 117.62 2kfw s VAL 76 Ca -0.07 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2kfw s VAL 76 Cb 0.07 -4.88 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 2kfw s VAL 76 CO 0.37 -1.72 0.13 -1.10 0.00 0.00 0.00 175.10 172.77 2kfw s GLN 77 N 4.59 2.46 -0.23 2.72 -0.21 0.67 -4.95 119.66 124.71 2kfw s GLN 77 Ca 0.35 -1.43 0.01 0.00 0.02 0.00 0.00 55.36 54.31 2kfw s GLN 77 Cb -0.07 -2.25 0.05 0.00 1.00 0.00 0.00 33.01 31.74 2kfw s GLN 77 CO 0.03 0.21 -0.08 1.03 -2.12 0.00 0.00 175.29 174.35 2kfw s ARG 78 N -3.82 1.87 -0.05 2.91 1.81 -1.26 -1.72 118.95 118.69 2kfw s ARG 78 Ca 0.36 -1.00 -0.02 0.00 -1.72 0.00 0.00 55.73 53.35 2kfw s ARG 78 Cb -0.04 -2.58 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 2kfw s ARG 78 CO 0.23 -0.53 0.09 0.54 -0.68 0.00 0.00 175.30 174.94 2kfw s VAL 79 N 1.35 -0.13 0.66 3.52 0.11 -0.61 -4.98 120.40 120.33 2kfw s VAL 79 Ca -0.05 0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.21 2kfw s VAL 79 Cb -0.18 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2kfw s VAL 79 CO -0.07 0.14 1.07 -2.16 -3.33 0.00 0.00 175.10 170.76 2kfw s PRO 80 N 1.85 2.94 0.00 1.54 0.04 -1.26 -2.59 135.00 137.51 2kfw s PRO 80 Ca -0.00 1.16 0.18 0.00 0.04 0.00 0.00 61.00 62.37 2kfw s PRO 80 Cb -0.12 -1.98 1.01 0.00 0.04 0.00 0.00 34.50 33.44 2kfw s PRO 80 CO -0.04 -1.11 1.50 0.36 0.04 0.00 0.00 177.00 177.75 2kfw n LYS 81 N -2.67 0.45 -0.00 4.56 2.85 -1.26 -3.42 118.16 118.67 2kfw n LYS 81 Ca 0.09 0.05 0.23 0.00 -1.05 0.00 0.00 58.31 57.62 2kfw n LYS 81 Cb 0.53 -1.50 0.70 0.00 -0.65 0.00 0.00 35.03 34.11 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 0.00 -5.58 3.58 -1.90 -3.31 116.42 109.21 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 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 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 -3.70 0.00 -2.25 2.25 0.31 -1.22 -5.05 118.33 108.67 2kfw n VAL 83 Ca 0.12 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2kfw n VAL 83 Cb 0.83 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2kfw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kfw n PHE 84 N -1.80 0.00 -1.84 3.52 3.01 -1.25 -4.62 117.46 114.48 2kfw n PHE 84 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2kfw n PHE 84 Cb 0.00 -0.67 -0.03 0.00 -0.01 0.00 0.00 39.48 38.78 2kfw n PHE 84 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kfw s MET 85 N -0.55 3.23 0.10 -1.08 0.23 -1.26 -4.45 119.30 115.51 2kfw s MET 85 Ca 0.00 1.66 0.00 0.00 -1.03 0.00 0.00 55.69 56.32 2kfw s MET 85 Cb 0.00 -4.27 0.00 0.00 -1.53 0.00 0.00 34.83 29.03 2kfw s MET 85 CO 0.00 -1.99 0.00 0.41 -2.03 0.00 0.00 175.02 171.41 2kfw n GLY 86 N 5.57 -4.15 2.92 3.16 0.00 -1.26 -5.05 105.19 106.38 2kfw n GLY 86 Ca 0.26 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 2kfw n GLY 86 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfw s VAL 87 N -0.60 -0.99 -0.04 1.61 -7.23 -1.26 -5.01 120.40 106.88 2kfw s VAL 87 Ca 0.00 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2kfw s VAL 87 Cb 0.00 -0.01 -0.32 0.00 0.56 0.00 0.00 36.38 36.62 2kfw s VAL 87 CO 0.00 -0.01 0.79 0.44 -0.31 0.00 0.00 175.10 176.01 2kfw h ASP 88 N 5.75 0.60 -2.06 4.85 5.19 -1.99 -3.40 116.42 125.36 2kfw h ASP 88 Ca 0.06 -0.92 -0.57 0.00 -0.62 0.00 0.00 57.03 54.98 2kfw h ASP 88 Cb 1.13 -0.19 -0.40 0.00 0.18 0.00 0.00 39.33 40.05 2kfw h ASP 88 CO 0.05 1.63 -0.96 -1.84 -3.12 0.00 0.00 179.24 175.00 2kfw n GLU 89 N -3.84 1.28 -1.55 3.56 0.00 -1.26 -5.06 120.64 113.77 2kfw n GLU 89 Ca -0.20 -3.67 -0.34 0.00 0.00 0.00 0.00 57.16 52.95 2kfw n GLU 89 Cb 0.98 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.84 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kfw s LEU 90 N -1.66 3.37 0.17 -1.84 2.96 -1.26 -4.94 118.68 115.48 2kfw s LEU 90 Ca 0.37 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 2kfw s LEU 90 Cb 0.18 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2kfw s LEU 90 CO -0.08 -2.98 0.32 -1.58 -1.32 0.00 0.00 176.35 170.71 2kfw s GLN 91 N 8.35 3.47 -0.23 1.98 0.74 -1.26 -5.07 119.66 127.63 2kfw s GLN 91 Ca 0.98 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 55.70 2kfw s GLN 91 Cb -0.17 -2.92 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 2kfw s GLN 91 CO 0.25 0.48 0.56 0.54 -0.55 0.00 0.00 175.29 176.56 2kfw s VAL 92 N -1.78 5.05 0.00 1.34 0.11 -1.26 -3.99 120.40 119.87 2kfw s VAL 92 Ca 0.36 1.00 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 2kfw s VAL 92 Cb -0.11 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2kfw s VAL 92 CO 0.29 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 2kfw n GLY 93 N 4.10 2.65 3.42 6.54 0.00 -0.64 -4.99 105.19 116.26 2kfw n GLY 93 Ca -0.03 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2kfw n GLY 93 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kfw n MET 94 N 0.00 0.14 -4.69 1.61 3.85 -1.26 -4.51 117.12 112.26 2kfw n MET 94 Ca 0.00 0.09 -0.33 0.00 -1.00 0.00 0.00 57.70 56.45 2kfw n MET 94 Cb 0.00 -1.75 -0.13 0.00 -1.05 0.00 0.00 33.22 30.29 2kfw n MET 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2kfw s ARG 95 N -2.85 2.99 0.16 3.17 3.00 -1.26 -3.40 118.95 120.76 2kfw s ARG 95 Ca 0.62 -0.61 -0.16 0.00 0.00 0.00 0.00 55.73 55.58 2kfw s ARG 95 Cb -0.31 -2.60 0.03 0.00 0.00 0.00 0.00 34.95 32.06 2kfw s ARG 95 CO 0.62 0.48 0.44 -0.59 0.00 0.00 0.00 175.30 176.25 2kfw s PHE 96 N -0.33 -0.09 0.03 -0.53 -0.12 -1.12 -5.05 117.98 110.76 2kfw s PHE 96 Ca 0.04 -0.24 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 2kfw s PHE 96 Cb -0.13 0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 2kfw s PHE 96 CO 0.02 -0.79 0.49 -1.17 -0.05 0.00 0.00 175.22 173.72 2kfw s LEU 97 N -2.85 4.49 -0.25 -1.99 2.96 -1.26 -3.06 118.68 116.71 2kfw s LEU 97 Ca 0.07 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2kfw s LEU 97 Cb 0.01 -2.75 0.06 0.00 0.50 0.00 0.00 46.19 44.01 2kfw s LEU 97 CO -0.07 0.28 -0.09 0.00 -1.32 0.00 0.00 176.35 175.16 2kfw s ALA 98 N -1.00 2.38 -0.49 5.97 0.00 -1.06 -4.98 121.76 122.59 2kfw s ALA 98 Ca 0.27 -1.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 2kfw s ALA 98 Cb -0.18 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2kfw s ALA 98 CO 0.16 -1.20 1.37 -2.00 0.00 0.00 0.00 175.76 174.09 2kfw s GLU 99 N 1.19 3.48 0.30 0.00 2.12 -1.26 -3.06 118.70 121.47 2kfw s GLU 99 Ca -0.08 0.67 0.09 0.00 0.36 0.00 0.00 54.97 56.01 2kfw s GLU 99 Cb -0.20 -4.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 2kfw s GLU 99 CO -0.05 -1.70 0.07 0.95 -0.54 0.00 0.00 175.26 173.98 2kfw s THR 100 N 5.56 3.26 0.62 -1.70 -4.23 -0.98 -4.96 115.64 113.21 2kfw s THR 100 Ca 0.55 -1.81 0.25 0.00 -1.18 0.00 0.00 61.69 59.51 2kfw s THR 100 Cb -0.11 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.12 2kfw s THR 100 CO 0.29 -0.28 1.68 -0.78 -0.54 0.00 0.00 174.62 174.99 2kfw h ASP 101 N 1.72 0.00 -0.20 3.99 3.58 -2.03 1.06 116.42 124.54 2kfw h ASP 101 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2kfw h ASP 101 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kfw h ASP 101 CO 0.62 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.98 2kfw n GLN 102 N -3.25 1.88 0.00 0.28 10.64 -1.26 -5.00 117.38 120.68 2kfw n GLN 102 Ca 0.07 -0.89 0.00 0.00 -1.83 0.00 0.00 57.00 54.35 2kfw n GLN 102 Cb 0.80 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.70 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 0.50 0.52 3.71 2.61 0.00 0.37 -4.92 105.19 107.97 2kfw n GLY 103 Ca 0.08 -1.96 -0.42 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 -1.58 4.38 -0.00 1.61 0.04 -1.26 -2.33 135.00 135.86 2kfw s PRO 104 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2kfw s PRO 104 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2kfw s PRO 104 CO 0.00 -0.35 -0.01 0.54 0.04 0.00 0.00 177.00 177.22 2kfw s VAL 105 N 1.30 0.09 0.21 -0.36 0.11 -1.17 -4.97 120.40 115.61 2kfw s VAL 105 Ca 0.60 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 2kfw s VAL 105 Cb -0.31 -0.09 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 2kfw s VAL 105 CO 0.29 0.03 1.18 -2.16 -3.33 0.00 0.00 175.10 171.11 2kfw s PRO 106 N 0.05 4.52 0.00 1.54 0.04 -1.26 -2.55 135.00 137.34 2kfw s PRO 106 Ca -0.00 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 2kfw s PRO 106 Cb -0.01 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2kfw s PRO 106 CO -0.00 -0.03 0.16 0.14 0.04 0.00 0.00 177.00 177.31 2kfw s VAL 107 N -0.36 0.08 -0.23 -0.36 -7.23 -1.17 -4.88 120.40 106.25 2kfw s VAL 107 Ca 0.51 -0.66 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2kfw s VAL 107 Cb -0.33 -0.46 0.07 0.00 0.56 0.00 0.00 36.38 36.23 2kfw s VAL 107 CO 0.38 -0.36 0.06 -0.70 -0.31 0.00 0.00 175.10 174.17 2kfw s GLU 108 N -1.38 0.58 0.01 4.82 2.12 -1.26 -2.79 118.70 120.81 2kfw s GLU 108 Ca -0.15 -0.57 -0.37 0.00 0.36 0.00 0.00 54.97 54.24 2kfw s GLU 108 Cb -0.07 -1.95 -0.16 0.00 0.26 0.00 0.00 34.13 32.20 2kfw s GLU 108 CO 0.02 -0.77 1.47 0.44 -0.54 0.00 0.00 175.26 175.87 2kfw n ILE 109 N 5.04 0.08 0.00 -3.70 -0.00 -1.22 -2.72 119.36 116.84 2kfw n ILE 109 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2kfw n ILE 109 Cb 0.45 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 2kfw n ILE 109 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2kfw n THR 110 N 3.12 0.00 -3.38 7.28 5.66 -1.19 -1.63 114.28 124.14 2kfw n THR 110 Ca 0.20 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.17 2kfw n THR 110 Cb 0.19 -0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 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 -1.69 -1.66 0.26 1.79 0.00 -1.26 -4.85 121.76 114.34 2kfw s ALA 111 Ca 0.00 1.57 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 2kfw s ALA 111 Cb 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 2kfw s ALA 111 CO 0.00 -1.14 0.71 0.08 0.00 0.00 0.00 175.76 175.41 2kfw s VAL 112 N 2.72 4.65 0.37 0.00 1.01 -1.26 -1.82 120.40 126.07 2kfw s VAL 112 Ca 0.10 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.21 2kfw s VAL 112 Cb -0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2kfw s VAL 112 CO -0.18 0.03 0.20 -0.62 0.00 0.00 0.00 175.10 174.54 2kfw n GLU 113 N 0.24 0.50 -2.33 2.72 1.02 0.13 -4.94 120.64 117.98 2kfw n GLU 113 Ca 0.00 -3.31 -0.42 0.00 -0.02 0.00 0.00 57.16 53.41 2kfw n GLU 113 Cb 0.52 2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 34.10 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 -3.37 6.99 -0.24 1.62 1.01 -1.26 -3.11 116.67 118.31 2kfw s ASP 114 Ca 0.28 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.66 2kfw s ASP 114 Cb 0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2kfw s ASP 114 CO 0.20 -0.54 0.00 0.47 0.21 0.00 0.00 175.17 175.51 2kfw n ASP 115 N 4.02 -1.33 -3.62 0.27 8.00 -1.26 -4.81 116.55 117.82 2kfw n ASP 115 Ca 0.10 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.81 2kfw n ASP 115 Cb 0.45 -1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.13 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 -1.85 -0.53 0.06 1.24 2.46 -1.18 -4.64 115.29 110.85 2kfw s HIS 116 Ca 0.00 1.23 0.02 0.00 0.47 0.00 0.00 55.06 56.78 2kfw s HIS 116 Cb 0.00 0.36 -0.03 0.00 -0.13 0.00 0.00 32.58 32.78 2kfw s HIS 116 CO 0.00 -0.30 -0.07 0.08 -2.47 0.00 0.00 174.74 171.98 2kfw s VAL 117 N -0.03 0.57 0.22 0.89 1.01 -1.07 0.23 120.40 122.21 2kfw s VAL 117 Ca 0.01 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2kfw s VAL 117 Cb -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2kfw s VAL 117 CO -0.03 -0.53 0.01 0.68 0.00 0.00 0.00 175.10 175.24 2kfw s VAL 118 N -2.03 3.66 -0.11 2.92 -7.23 -0.75 -1.57 120.40 115.29 2kfw s VAL 118 Ca -0.04 -1.63 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 2kfw s VAL 118 Cb -0.06 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 34.03 2kfw s VAL 118 CO -0.01 -0.24 0.27 0.54 -0.31 0.00 0.00 175.10 175.35 2kfw s VAL 119 N -2.00 -0.02 -0.30 1.32 0.11 -0.70 -3.17 120.40 115.64 2kfw s VAL 119 Ca 0.29 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2kfw s VAL 119 Cb -0.08 -0.40 0.19 0.00 -1.53 0.00 0.00 36.38 34.56 2kfw s VAL 119 CO 0.20 0.03 0.82 1.51 -3.33 0.00 0.00 175.10 174.33 2kfw s ASP 120 N 0.82 -1.01 -0.43 3.54 -4.77 -1.10 -0.24 116.67 113.47 2kfw s ASP 120 Ca -0.06 0.07 0.03 0.00 -3.30 0.00 0.00 52.55 49.30 2kfw s ASP 120 Cb -0.07 1.61 0.27 0.00 -1.09 0.00 0.00 42.92 43.64 2kfw s ASP 120 CO -0.05 -0.18 1.05 0.61 0.70 0.00 0.00 175.17 177.30 2kfw n GLY 121 N 5.16 -0.51 3.77 2.12 0.00 -1.26 -4.78 105.19 109.68 2kfw n GLY 121 Ca 0.07 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 2kfw n GLY 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kfw s ASN 122 N -1.13 4.18 -0.03 1.61 3.04 -1.26 -4.61 114.94 116.74 2kfw s ASN 122 Ca 0.28 -1.57 -0.39 0.00 0.04 0.00 0.00 52.86 51.22 2kfw s ASN 122 Cb 0.24 0.40 -0.18 0.00 -1.54 0.00 0.00 41.25 40.16 2kfw s ASN 122 CO -0.17 -0.84 1.27 1.41 -3.04 0.00 0.00 177.10 175.73 2kfw n HIS 123 N -1.30 1.18 0.25 0.43 8.25 -1.26 -4.81 115.22 117.97 2kfw n HIS 123 Ca -0.15 0.86 0.14 0.00 -0.26 0.00 0.00 57.72 58.30 2kfw n HIS 123 Cb 0.67 -2.23 0.35 0.00 1.12 0.00 0.00 29.99 29.90 2kfw n HIS 123 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2kfw h MET 124 N 4.10 0.00 -2.08 -0.41 2.86 -2.02 -3.41 114.93 113.96 2kfw h MET 124 Ca -0.49 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 56.84 2kfw h MET 124 Cb 1.38 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.71 2kfw h MET 124 CO 0.75 0.00 -0.62 -1.17 1.06 0.00 0.00 176.91 176.93 2kfw s LEU 125 N -6.15 -0.32 0.00 1.22 2.96 -1.26 -5.14 118.68 109.98 2kfw s LEU 125 Ca 0.05 -0.70 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2kfw s LEU 125 Cb 0.07 0.60 0.07 0.00 0.50 0.00 0.00 46.19 47.42 2kfw s LEU 125 CO 0.62 -0.38 0.54 0.00 -1.32 0.00 0.00 176.35 175.81 2kfw n ALA 126 N 5.32 0.61 -0.08 5.97 0.00 -1.26 -4.74 120.51 126.32 2kfw n ALA 126 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2kfw n ALA 126 Cb 0.47 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 0.43 0.95 3.11 0.00 0.00 -1.26 -4.82 105.19 103.61 2kfw n GLY 127 Ca 0.10 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.31 3.24 0.84 1.61 -0.21 -1.26 -4.89 119.66 118.67 2kfw s GLN 128 Ca 0.00 -3.22 -0.12 0.00 0.02 0.00 0.00 55.36 52.03 2kfw s GLN 128 Cb 0.00 -3.95 0.10 0.00 1.00 0.00 0.00 33.01 30.16 2kfw s GLN 128 CO 0.00 -1.26 1.18 0.54 -2.12 0.00 0.00 175.29 173.63 2kfw s ASN 129 N -0.06 3.39 0.02 5.90 2.20 -1.26 -4.32 114.94 120.82 2kfw s ASN 129 Ca 0.27 2.29 0.02 0.00 -0.94 0.00 0.00 52.86 54.50 2kfw s ASN 129 Cb -0.08 -2.58 -0.02 0.00 -2.00 0.00 0.00 41.25 36.57 2kfw s ASN 129 CO -0.12 -2.79 -0.06 -0.76 -2.94 0.00 0.00 177.10 170.42 2kfw s LEU 130 N -6.01 2.16 -0.19 3.54 1.02 -1.26 -4.71 118.68 113.23 2kfw s LEU 130 Ca 0.71 -0.36 -0.07 0.00 0.02 0.00 0.00 54.13 54.43 2kfw s LEU 130 Cb -0.26 -0.18 -0.04 0.00 0.02 0.00 0.00 46.19 45.74 2kfw s LEU 130 CO 0.53 -0.11 0.05 -0.75 0.02 0.00 0.00 176.35 176.09 2kfw s LYS 131 N -0.99 3.83 -0.05 1.70 2.47 -1.18 -2.91 119.74 122.60 2kfw s LYS 131 Ca -0.06 -0.41 -0.08 0.00 -1.56 0.00 0.00 55.97 53.85 2kfw s LYS 131 Cb -0.07 -3.19 0.02 0.00 -1.46 0.00 0.00 37.83 33.13 2kfw s LYS 131 CO 0.00 0.14 0.21 -0.59 0.16 0.00 0.00 175.35 175.27 2kfw s PHE 132 N 0.70 -0.15 0.24 4.03 -0.12 -1.17 -1.98 117.98 119.53 2kfw s PHE 132 Ca 0.02 0.35 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 2kfw s PHE 132 Cb -0.14 0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.23 2kfw s PHE 132 CO 0.02 -0.20 0.55 1.21 -0.05 0.00 0.00 175.22 176.75 2kfw s ASN 133 N -0.49 6.60 -0.02 1.98 3.84 -0.74 -3.00 114.94 123.11 2kfw s ASN 133 Ca -0.06 0.90 0.02 0.00 0.21 0.00 0.00 52.86 53.92 2kfw s ASN 133 Cb -0.04 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.45 2kfw s ASN 133 CO 0.01 -0.09 -0.05 0.68 -2.79 0.00 0.00 177.10 174.86 2kfw s VAL 134 N -1.85 0.49 -0.08 -5.21 -7.23 -1.06 -2.37 120.40 103.10 2kfw s VAL 134 Ca 0.47 -0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2kfw s VAL 134 Cb -0.11 -0.47 0.01 0.00 0.56 0.00 0.00 36.38 36.37 2kfw s VAL 134 CO 0.22 0.18 -0.13 -1.83 -0.31 0.00 0.00 175.10 173.23 2kfw s GLU 135 N 0.36 1.82 0.18 4.82 -1.05 -0.81 -2.14 118.70 121.89 2kfw s GLU 135 Ca -0.04 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 2kfw s GLU 135 Cb -0.08 -1.55 -0.08 0.00 -0.44 0.00 0.00 34.13 31.98 2kfw s GLU 135 CO -0.00 -0.02 0.99 0.08 0.95 0.00 0.00 175.26 177.26 2kfw s VAL 136 N 0.84 4.15 -0.09 1.83 1.01 -1.25 -2.94 120.40 123.95 2kfw s VAL 136 Ca -0.11 1.95 0.05 0.00 0.00 0.00 0.00 61.98 63.87 2kfw s VAL 136 Cb -0.15 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 2kfw s VAL 136 CO 0.01 0.38 -0.02 0.52 0.00 0.00 0.00 175.10 176.00 2kfw n VAL 137 N 2.11 0.60 -3.71 2.92 0.31 0.11 -2.62 118.33 118.04 2kfw n VAL 137 Ca 0.01 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 2kfw n VAL 137 Cb 0.47 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.56 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 -1.06 -0.29 3.52 0.00 -1.23 -4.78 121.76 115.72 2kfw s ALA 138 Ca -0.08 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2kfw s ALA 138 Cb 0.03 0.86 0.17 0.00 0.00 0.00 0.00 23.12 24.18 2kfw s ALA 138 CO 0.31 -0.83 0.46 0.42 0.00 0.00 0.00 175.76 176.12 2kfw s ILE 139 N -3.86 -0.74 0.18 0.00 1.01 -1.24 -3.03 121.20 113.52 2kfw s ILE 139 Ca 0.08 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.65 2kfw s ILE 139 Cb -0.02 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2kfw s ILE 139 CO -0.03 -0.18 -0.22 -0.60 0.00 0.00 0.00 174.94 173.90 2kfw s ARG 140 N 2.63 1.43 0.59 2.79 6.06 0.20 -4.88 118.95 127.76 2kfw s ARG 140 Ca 0.11 -1.47 -0.13 0.00 -2.50 0.00 0.00 55.73 51.74 2kfw s ARG 140 Cb -0.12 -1.69 -0.05 0.00 0.06 0.00 0.00 34.95 33.15 2kfw s ARG 140 CO -0.27 0.36 1.02 -1.21 -2.50 0.00 0.00 175.30 172.70 2kfw s GLU 141 N -2.64 3.62 0.23 5.12 8.01 -1.26 0.29 118.70 132.06 2kfw s GLU 141 Ca 0.18 0.88 0.07 0.00 0.01 0.00 0.00 54.97 56.11 2kfw s GLU 141 Cb -0.08 -2.08 -0.04 0.00 -4.31 0.00 0.00 34.13 27.62 2kfw s GLU 141 CO 0.09 -0.55 0.11 0.00 0.01 0.00 0.00 175.26 174.92 2kfw s ALA 142 N -2.92 3.43 1.15 5.21 0.00 -1.17 -4.65 121.76 122.80 2kfw s ALA 142 Ca 0.57 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 2kfw s ALA 142 Cb -0.11 -1.15 0.28 0.00 0.00 0.00 0.00 23.12 22.14 2kfw s ALA 142 CO 0.45 0.33 1.22 0.95 0.00 0.00 0.00 175.76 178.71 2kfw s THR 143 N -2.05 1.70 0.27 0.00 -4.23 -1.26 -4.66 115.64 105.42 2kfw s THR 143 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2kfw s THR 143 Cb -0.08 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.33 2kfw s THR 143 CO 0.23 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.86 2kfw h GLU 144 N -2.35 1.12 -0.13 3.99 4.39 -2.00 -1.46 114.58 118.14 2kfw h GLU 144 Ca -0.43 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 2kfw h GLU 144 Cb 1.25 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2kfw h GLU 144 CO 0.29 0.74 -0.16 1.49 -1.16 0.00 0.00 179.01 180.21 2kfw h GLU 145 N 1.15 0.34 -0.86 2.33 4.81 -1.97 0.27 114.58 120.65 2kfw h GLU 145 Ca 0.43 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 2kfw h GLU 145 Cb 0.19 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 2kfw h GLU 145 CO -0.17 0.75 0.52 0.93 -0.73 0.00 0.00 179.01 180.31 2kfw h GLU 146 N -0.05 0.87 0.00 1.92 5.08 -1.64 -1.15 114.58 119.62 2kfw h GLU 146 Ca 0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2kfw h GLU 146 Cb 0.70 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kfw h GLU 146 CO 0.04 0.58 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.98 2kfw h LEU 147 N 0.90 0.00 -0.31 1.33 4.07 -1.24 0.73 115.31 120.78 2kfw h LEU 147 Ca 0.40 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.43 2kfw h LEU 147 Cb 0.29 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.95 2kfw h LEU 147 CO -0.22 0.40 -0.25 0.00 -1.08 0.00 0.00 178.44 177.30 2kfw h ALA 148 N 1.60 -0.09 0.00 1.53 0.00 0.85 -3.14 119.26 120.00 2kfw h ALA 148 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kfw h ALA 148 Cb 1.33 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2kfw h ALA 148 CO 0.05 -0.66 -0.63 0.72 0.00 0.00 0.00 179.25 178.73 2kfw n HIS 149 N -5.39 0.00 -0.80 0.00 8.25 -1.18 -5.04 115.22 111.07 2kfw n HIS 149 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfw n HIS 149 Cb 0.30 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 1.38 0.21 3.37 -1.41 0.00 0.52 -4.84 105.19 104.42 2kfw n GLY 150 Ca 0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2kfw n GLY 150 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 151 N -2.42 -0.13 -0.20 1.61 3.76 0.22 -4.75 115.29 113.39 2kfw s HIS 151 Ca 0.00 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 54.70 2kfw s HIS 151 Cb 0.00 0.26 0.05 0.00 1.11 0.00 0.00 32.58 34.01 2kfw s HIS 151 CO 0.00 -0.76 -0.02 0.08 -0.85 0.00 0.00 174.74 173.19 2kfw s VAL 152 N -3.84 1.00 0.00 -0.90 1.01 -1.26 -4.29 120.40 112.12 2kfw s VAL 152 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2kfw s VAL 152 Cb 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2kfw s VAL 152 CO -0.09 -0.08 0.00 1.57 0.00 0.00 0.00 175.10 176.51 2kfw n HIS 153 N 4.88 0.00 -2.38 5.22 -0.00 -1.26 -4.83 115.22 116.84 2kfw n HIS 153 Ca -0.11 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.73 2kfw n HIS 153 Cb 0.46 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.32 2kfw n HIS 153 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2kfw s GLY 154 N 0.00 2.50 -0.22 1.57 0.00 -1.26 -5.04 107.32 104.87 2kfw s GLY 154 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 2kfw s GLY 154 CO 0.00 0.99 0.39 0.00 0.00 0.00 0.00 173.10 174.48 2kfw s ALA 155 N -1.97 -1.12 0.05 3.20 0.00 -1.26 -4.84 121.76 115.83 2kfw s ALA 155 Ca 0.69 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.85 2kfw s ALA 155 Cb -0.19 -1.51 -0.24 0.00 0.00 0.00 0.00 23.12 21.18 2kfw s ALA 155 CO 0.24 -1.03 1.02 0.45 0.00 0.00 0.00 175.76 176.44 2kfw h HIS 156 N 8.18 0.21 0.00 0.00 3.86 -1.99 -3.13 115.15 122.28 2kfw h HIS 156 Ca -0.18 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2kfw h HIS 156 Cb 1.13 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2kfw h HIS 156 CO 0.20 1.16 0.00 -0.44 0.86 0.00 0.00 177.93 179.70 2kfw h ASP 157 N 0.03 0.00 -0.37 2.45 3.32 -1.94 -3.02 116.42 116.90 2kfw h ASP 157 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kfw h ASP 157 Cb 1.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.47 2kfw h ASP 157 CO 0.14 0.00 0.00 1.57 -1.72 0.00 0.00 179.24 179.23 2kfw n HIS 158 N -2.32 0.91 0.03 4.55 -0.00 -1.23 -4.74 115.22 112.41 2kfw n HIS 158 Ca 0.05 -0.69 0.00 0.00 0.46 0.00 0.00 57.72 57.54 2kfw n HIS 158 Cb 0.41 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 2kfw n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kfw n HIS 159 N 0.18 -0.30 -1.91 1.57 -0.00 -1.18 -4.95 115.22 108.63 2kfw n HIS 159 Ca 0.19 0.05 -0.39 0.00 -0.00 0.00 0.00 57.72 57.57 2kfw n HIS 159 Cb 0.74 0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.89 2kfw n HIS 159 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kfw s HIS 160 N -1.31 1.53 0.27 1.57 4.02 -1.15 -4.51 115.29 115.72 2kfw s HIS 160 Ca 0.00 0.94 0.00 0.00 1.02 0.00 0.00 55.06 57.02 2kfw s HIS 160 Cb 0.00 -3.97 0.00 0.00 -1.02 0.00 0.00 32.58 27.59 2kfw s HIS 160 CO 0.00 -2.51 0.00 -3.47 1.02 0.00 0.00 174.74 169.78 2kfw n ASP 161 N 13.10 -8.81 -0.01 1.40 -0.08 -1.26 -4.90 116.55 116.00 2kfw n ASP 161 Ca 0.25 1.29 0.02 0.00 -1.51 0.00 0.00 54.79 54.84 2kfw n ASP 161 Cb 0.52 -4.80 -0.04 0.00 2.34 0.00 0.00 41.12 39.13 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2kfw n HIS 162 N 1.20 0.00 -2.25 -0.67 -0.00 -1.26 -4.79 115.22 107.45 2kfw n HIS 162 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kfw n HIS 162 Cb 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.72 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 -1.76 0.00 -4.34 0.26 5.75 -1.26 -5.10 116.55 110.11 2kfw n ASP 163 Ca -0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 54.79 54.31 2kfw n ASP 163 Cb 0.21 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 2kfw n ASP 163 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2kfw s HIS 164 N -2.42 3.19 -0.28 2.11 3.76 -1.26 -4.91 115.29 115.48 2kfw s HIS 164 Ca 0.00 -1.22 -0.01 0.00 -0.15 0.00 0.00 55.06 53.68 2kfw s HIS 164 Cb 0.00 -3.90 0.19 0.00 1.11 0.00 0.00 32.58 29.98 2kfw s HIS 164 CO 0.00 -1.14 2.02 -3.47 -0.85 0.00 0.00 174.74 171.30 2kfw n ASP 165 N 5.61 6.34 0.00 1.40 -0.08 -1.26 -4.04 116.55 124.52 2kfw n ASP 165 Ca -0.09 -2.99 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 2kfw n ASP 165 Cb 0.42 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 42.81 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 0.49 -0.09 3.06 0.27 0.00 -1.26 -5.10 105.19 102.56 2kfw n GLY 166 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.79 -2.44 1.62 0.00 0.00 -1.26 -3.34 105.19 100.55 2kfw n GLY 169 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 1.68 3.07 1.34 -0.02 0.00 -1.26 -4.78 105.19 105.22 2kfw n GLY 170 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 2kfw n GLY 170 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 171 N -1.10 1.22 -4.25 1.61 -0.00 -1.21 -4.97 115.22 106.52 2kfw n HIS 171 Ca 0.00 -0.61 -0.16 0.00 -0.00 0.00 0.00 57.72 56.95 2kfw n HIS 171 Cb 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 29.74 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 172 N 0.91 3.24 0.42 -1.41 0.00 -1.26 -5.05 105.19 102.04 2kfw n GLY 172 Ca 0.23 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.44 2kfw n GLY 172 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 173 N -0.52 0.00 0.00 1.61 -0.00 -1.26 -4.98 115.22 110.06 2kfw n HIS 173 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2kfw n HIS 173 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 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 0.14 0.00 -3.72 0.26 2.03 -1.26 -4.57 116.55 109.43 2kfw n ASP 174 Ca 0.07 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 2kfw n ASP 174 Cb 0.34 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.62 2kfw n ASP 174 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2kfw s HIS 175 N 0.00 -0.46 0.00 -0.67 -3.43 -1.26 -5.05 115.29 104.42 2kfw s HIS 175 Ca 0.00 1.04 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 2kfw s HIS 175 Cb 0.00 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2kfw s HIS 175 CO 0.00 -0.27 0.00 0.41 -2.00 0.00 0.00 174.74 172.88 2kfw n GLY 176 N 3.90 -0.40 5.27 -1.38 0.00 -1.26 -5.05 105.19 106.27 2kfw n GLY 176 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kfw n GLY 176 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 177 N 0.00 0.00 -4.31 1.61 8.25 -1.26 -4.47 115.22 115.04 2kfw n HIS 177 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2kfw n HIS 177 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 2kfw n HIS 177 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2kfw s GLU 178 N 0.00 1.20 0.00 -0.41 1.03 -1.26 -5.01 118.70 114.25 2kfw s GLU 178 Ca 0.00 -1.29 0.22 0.00 0.03 0.00 0.00 54.97 53.93 2kfw s GLU 178 Cb 0.00 -1.36 0.99 0.00 -0.80 0.00 0.00 34.13 32.96 2kfw s GLU 178 CO 0.00 0.30 1.70 0.72 -1.33 0.00 0.00 175.26 176.64 2kfw n HIS 179 N 0.67 0.00 -3.64 4.83 8.25 -1.26 -4.72 115.22 119.35 2kfw n HIS 179 Ca -0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 2kfw n HIS 179 Cb 0.55 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 2kfw n HIS 179 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kfw s GLY 180 N -2.85 -0.44 0.00 -1.41 0.00 -1.26 -5.12 107.32 96.24 2kfw s GLY 180 Ca 0.14 2.64 0.00 0.00 0.00 0.00 0.00 44.72 47.51 2kfw s GLY 180 CO 0.37 2.46 0.00 0.61 0.00 0.00 0.00 173.10 176.54 2kfw n GLY 181 N 4.11 1.40 3.76 0.20 0.00 -1.26 -4.20 105.19 109.19 2kfw n GLY 181 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2kfw n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kfw s GLU 182 N 0.20 2.13 3.33 1.61 -1.05 -1.26 -3.65 118.70 120.00 2kfw s GLU 182 Ca 0.00 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 2kfw s GLU 182 Cb 0.00 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 2kfw s GLU 182 CO 0.00 -1.75 0.00 0.41 0.95 0.00 0.00 175.26 174.87 2kfw n GLY 183 N -1.01 1.93 3.64 -3.83 0.00 -1.26 -4.81 105.19 99.85 2kfw n GLY 183 Ca 0.09 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.43 1.04 3.87 0.00 0.00 -1.24 -4.42 105.19 104.01 2kfw n GLY 186 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2kfw n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 187 N -1.00 1.81 -0.06 -0.02 0.00 -1.26 -5.01 107.32 101.79 2kfw s GLY 187 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 44.72 44.45 2kfw s GLY 187 CO 0.00 0.10 0.33 0.54 0.00 0.00 0.00 173.10 174.07 2kfw s LYS 188 N -4.46 0.58 0.00 2.90 -0.14 -1.26 -5.09 119.74 112.26 2kfw s LYS 188 Ca 0.54 0.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 2kfw s LYS 188 Cb -0.10 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 2kfw s LYS 188 CO 0.40 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 2kfw n GLY 189 N 1.86 1.98 2.84 -3.33 0.00 -1.26 -5.13 105.19 102.16 2kfw n GLY 189 Ca -0.18 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2kfw n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kfw s ASN 190 N 0.00 3.80 0.11 1.61 2.47 -1.26 -5.00 114.94 116.67 2kfw s ASN 190 Ca 0.00 -1.35 -0.21 0.00 0.42 0.00 0.00 52.86 51.72 2kfw s ASN 190 Cb 0.00 -1.00 -0.10 0.00 -1.45 0.00 0.00 41.25 38.71 2kfw s ASN 190 CO 0.00 -0.32 1.75 1.23 -3.72 0.00 0.00 177.10 176.04 2kfw h GLY 191 N 8.03 0.19 0.00 1.21 0.00 -2.00 -3.49 103.07 107.01 2kfw h GLY 191 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2kfw h GLY 191 CO 0.43 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2kfw n GLY 192 N -1.08 -0.41 0.57 4.60 0.00 -1.26 -5.04 105.19 102.57 2kfw n GLY 192 Ca -0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 2.17 1.59 3.62 0.00 0.00 -1.26 -5.11 105.19 106.19 2kfw n GLY 194 Ca -0.25 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32