#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 1.83 0.75 3.17 2.20 -1.26 -4.96 119.74 121.47 2kfw s LYS 2 Ca 0.00 -1.32 -0.15 0.00 -0.36 0.00 0.00 55.97 54.14 2kfw s LYS 2 Cb 0.00 0.54 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 2kfw s LYS 2 CO 0.00 -0.81 0.66 1.55 -0.36 0.00 0.00 175.35 176.40 2kfw n VAL 3 N -0.47 1.81 -4.06 4.02 3.14 -1.26 -4.95 118.33 116.56 2kfw n VAL 3 Ca -0.03 -0.35 -0.13 0.00 -2.96 0.00 0.00 64.34 60.87 2kfw n VAL 3 Cb 0.61 -0.84 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kfw n ALA 4 N -2.62 0.12 -1.00 1.55 0.00 -1.26 -4.37 120.51 112.93 2kfw n ALA 4 Ca 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2kfw n ALA 4 Cb 0.50 1.06 0.00 0.00 0.00 0.00 0.00 19.45 21.02 2kfw n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kfw n LYS 5 N -0.45 0.00 -0.60 0.00 5.02 -1.25 -3.97 118.16 116.90 2kfw n LYS 5 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 2kfw n LYS 5 Cb 0.44 -0.43 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kfw n ASP 6 N -0.19 3.39 -3.61 4.39 5.75 -1.26 -3.37 116.55 121.65 2kfw n ASP 6 Ca 0.00 -2.29 -0.24 0.00 -0.01 0.00 0.00 54.79 52.25 2kfw n ASP 6 Cb 0.00 -0.94 -0.17 0.00 -1.03 0.00 0.00 41.12 38.98 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 0.19 0.24 0.01 -2.12 1.02 -1.25 -2.68 118.68 114.08 2kfw s LEU 7 Ca 0.33 -0.40 -0.33 0.00 0.02 0.00 0.00 54.13 53.75 2kfw s LEU 7 Cb 0.08 -0.14 -0.12 0.00 0.02 0.00 0.00 46.19 46.04 2kfw s LEU 7 CO 0.00 -0.32 1.82 1.33 0.02 0.00 0.00 176.35 179.20 2kfw n VAL 8 N 5.29 0.44 -3.85 -1.59 0.24 0.65 -3.90 118.33 115.61 2kfw n VAL 8 Ca -0.06 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 2kfw n VAL 8 Cb 0.49 -1.88 -0.16 0.00 -1.47 0.00 0.00 33.84 30.82 2kfw n VAL 8 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kfw s VAL 9 N 3.20 0.99 -0.13 3.34 0.11 -1.18 -0.98 120.40 125.75 2kfw s VAL 9 Ca 0.88 -0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 59.05 2kfw s VAL 9 Cb -0.63 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2kfw s VAL 9 CO 0.45 0.01 0.61 -0.94 -3.33 0.00 0.00 175.10 171.90 2kfw s SER 10 N 1.67 6.78 -0.19 3.54 1.04 -1.15 -3.12 113.70 122.28 2kfw s SER 10 Ca -0.01 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 2kfw s SER 10 Cb -0.16 -2.35 0.09 0.00 0.10 0.00 0.00 66.02 63.70 2kfw s SER 10 CO -0.07 -0.14 0.26 -1.48 0.98 0.00 0.00 173.24 172.79 2kfw s LEU 11 N 1.17 -0.26 0.24 2.42 0.05 -0.33 0.20 118.68 122.17 2kfw s LEU 11 Ca 0.31 0.11 -0.30 0.00 0.05 0.00 0.00 54.13 54.30 2kfw s LEU 11 Cb -0.16 0.61 -0.09 0.00 -2.05 0.00 0.00 46.19 44.50 2kfw s LEU 11 CO 0.13 -0.29 1.02 0.00 -0.55 0.00 0.00 176.35 176.65 2kfw s ALA 12 N 2.39 3.36 0.11 1.48 0.00 -1.02 -3.43 121.76 124.65 2kfw s ALA 12 Ca 0.06 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 2kfw s ALA 12 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2kfw s ALA 12 CO -0.12 0.00 0.19 1.52 0.00 0.00 0.00 175.76 177.36 2kfw s TYR 13 N -0.96 0.28 -0.03 0.00 -0.85 -1.26 -1.75 117.35 112.79 2kfw s TYR 13 Ca 0.44 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 2kfw s TYR 13 Cb -0.28 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 2kfw s TYR 13 CO 0.35 -0.58 -0.16 -0.65 -1.52 0.00 0.00 175.55 173.00 2kfw s GLN 14 N -3.90 1.45 -0.22 -3.49 -0.21 0.96 -1.74 119.66 112.50 2kfw s GLN 14 Ca 0.09 -0.55 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 2kfw s GLN 14 Cb 0.05 -1.33 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 2kfw s GLN 14 CO -0.07 0.28 -0.03 0.54 -2.12 0.00 0.00 175.29 173.88 2kfw s VAL 15 N -0.14 3.45 -0.04 1.09 0.11 -1.21 -1.90 120.40 121.76 2kfw s VAL 15 Ca 0.01 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 2kfw s VAL 15 Cb -0.09 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 2kfw s VAL 15 CO 0.01 0.41 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.86 2kfw s ARG 16 N 1.49 1.94 0.26 1.54 0.52 -1.11 -3.01 118.95 120.58 2kfw s ARG 16 Ca 0.06 -0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 54.45 2kfw s ARG 16 Cb -0.14 -1.74 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 2kfw s ARG 16 CO -0.03 0.36 0.57 0.95 0.02 0.00 0.00 175.30 177.17 2kfw s THR 17 N -0.21 4.94 0.15 0.02 -4.23 0.96 -2.76 115.64 114.52 2kfw s THR 17 Ca 0.01 0.38 0.23 0.00 -1.18 0.00 0.00 61.69 61.12 2kfw s THR 17 Cb -0.11 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.30 2kfw s THR 17 CO 0.01 -0.17 1.65 -0.08 -0.54 0.00 0.00 174.62 175.50 2kfw h GLU 18 N 2.23 0.00 -0.34 3.99 4.81 -1.88 0.82 114.58 124.21 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kfw h GLU 18 CO 0.68 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.71 2kfw n ASP 19 N -2.40 0.37 -1.72 1.04 8.00 -1.26 -4.81 116.55 115.77 2kfw n ASP 19 Ca -0.02 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.35 2kfw n ASP 19 Cb 0.22 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.33 -0.12 3.36 0.44 0.00 0.28 -5.01 105.19 104.47 2kfw n GLY 20 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.79 2.10 -0.22 1.61 1.01 -1.19 -4.95 120.40 115.97 2kfw s VAL 21 Ca 0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 2kfw s VAL 21 Cb -0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2kfw s VAL 21 CO 0.11 0.09 -0.05 -0.76 0.00 0.00 0.00 175.10 174.49 2kfw s LEU 22 N -1.92 2.93 -0.09 3.92 1.02 -1.26 -0.03 118.68 123.26 2kfw s LEU 22 Ca 0.12 -0.47 -0.20 0.00 0.02 0.00 0.00 54.13 53.60 2kfw s LEU 22 Cb -0.10 -1.73 -0.17 0.00 0.02 0.00 0.00 46.19 44.22 2kfw s LEU 22 CO 0.05 -0.04 0.72 0.58 0.02 0.00 0.00 176.35 177.68 2kfw h VAL 23 N 5.77 1.03 -1.04 -1.59 2.07 -1.93 -3.49 116.25 117.07 2kfw h VAL 23 Ca -0.40 -1.49 0.26 0.00 0.82 0.00 0.00 66.70 65.89 2kfw h VAL 23 Cb 1.15 1.84 -0.27 0.00 -1.52 0.00 0.00 31.29 32.49 2kfw h VAL 23 CO 0.60 0.31 0.97 1.51 0.02 0.00 0.00 177.57 180.98 2kfw s ASP 24 N -5.73 -0.02 0.16 0.57 1.47 -1.26 -5.09 116.67 106.77 2kfw s ASP 24 Ca -0.13 0.02 -0.07 0.00 1.18 0.00 0.00 52.55 53.56 2kfw s ASP 24 Cb -0.01 0.02 -0.02 0.00 -0.34 0.00 0.00 42.92 42.58 2kfw s ASP 24 CO 0.47 -0.02 0.24 -1.83 0.68 0.00 0.00 175.17 174.71 2kfw s GLU 25 N -1.12 1.13 0.52 2.11 -1.05 -1.26 -3.31 118.70 115.73 2kfw s GLU 25 Ca 0.09 -1.26 -0.20 0.00 -0.15 0.00 0.00 54.97 53.45 2kfw s GLU 25 Cb -0.01 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.96 2kfw s GLU 25 CO -0.08 -0.40 1.12 0.45 0.95 0.00 0.00 175.26 177.30 2kfw s SER 26 N -3.00 5.91 0.20 0.83 0.15 -0.71 -4.98 113.70 112.10 2kfw s SER 26 Ca 0.20 2.14 -0.30 0.00 0.70 0.00 0.00 55.95 58.70 2kfw s SER 26 Cb 0.04 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 2kfw s SER 26 CO 0.02 -1.09 1.18 -2.16 1.20 0.00 0.00 173.24 172.39 2kfw s PRO 27 N -3.19 4.51 0.61 5.44 0.04 -1.23 -4.73 135.00 136.45 2kfw s PRO 27 Ca 0.70 1.86 0.40 0.00 0.04 0.00 0.00 61.00 64.00 2kfw s PRO 27 Cb -0.23 -3.24 2.07 0.00 0.04 0.00 0.00 34.50 33.14 2kfw s PRO 27 CO 0.27 -0.04 2.22 -0.24 0.04 0.00 0.00 177.00 179.24 2kfw h VAL 28 N 3.68 0.00 -0.00 -0.36 3.04 -2.00 -0.13 116.25 120.48 2kfw h VAL 28 Ca -0.45 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2kfw h VAL 28 Cb 1.21 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2kfw h VAL 28 CO 0.73 0.00 -0.19 -1.54 -1.01 0.00 0.00 177.57 175.56 2kfw n SER 29 N -3.00 0.52 -3.18 3.17 3.41 -1.26 -4.73 113.62 108.54 2kfw n SER 29 Ca -0.02 -0.44 0.04 0.00 -0.26 0.00 0.00 58.87 58.19 2kfw n SER 29 Cb 0.13 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kfw s ALA 30 N -2.64 -2.39 0.83 7.33 0.00 -0.06 -5.16 121.76 119.67 2kfw s ALA 30 Ca 0.23 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.91 2kfw s ALA 30 Cb 0.19 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 21.22 2kfw s ALA 30 CO 0.53 -1.31 1.09 -1.25 0.00 0.00 0.00 175.76 174.82 2kfw s PRO 31 N 2.87 1.84 -0.47 0.00 0.04 -1.25 -3.56 135.00 134.48 2kfw s PRO 31 Ca 0.17 0.73 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 2kfw s PRO 31 Cb -0.14 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2kfw s PRO 31 CO -0.20 -1.81 0.89 -1.17 0.04 0.00 0.00 177.00 174.76 2kfw s LEU 32 N -5.92 4.07 -0.27 -3.56 2.96 -1.22 -4.70 118.68 110.03 2kfw s LEU 32 Ca 0.62 0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2kfw s LEU 32 Cb -0.16 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 2kfw s LEU 32 CO 0.55 -1.03 0.12 1.51 -1.32 0.00 0.00 176.35 176.17 2kfw s ASP 33 N 2.28 5.43 0.07 3.68 1.47 -1.26 -1.18 116.67 127.16 2kfw s ASP 33 Ca 0.35 -0.23 -0.07 0.00 1.18 0.00 0.00 52.55 53.78 2kfw s ASP 33 Cb -0.11 -1.99 -0.01 0.00 -0.34 0.00 0.00 42.92 40.48 2kfw s ASP 33 CO 0.25 -0.07 0.15 -0.31 0.68 0.00 0.00 175.17 175.87 2kfw s TYR 34 N 1.65 0.19 -0.57 2.11 2.02 -1.18 -4.75 117.35 116.82 2kfw s TYR 34 Ca 0.06 -0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 55.89 2kfw s TYR 34 Cb -0.16 -0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2kfw s TYR 34 CO 0.06 -0.49 1.96 -1.17 -1.57 0.00 0.00 175.55 174.34 2kfw s LEU 35 N -2.71 3.33 0.23 -1.29 2.96 -1.26 -3.10 118.68 116.84 2kfw s LEU 35 Ca 0.03 0.55 -0.31 0.00 -0.22 0.00 0.00 54.13 54.18 2kfw s LEU 35 Cb 0.04 -2.60 -0.11 0.00 0.50 0.00 0.00 46.19 44.03 2kfw s LEU 35 CO -0.09 -2.42 1.54 -2.28 -1.32 0.00 0.00 176.35 171.78 2kfw s HIS 36 N 9.51 2.96 0.00 5.38 5.65 -1.22 -1.93 115.29 135.64 2kfw s HIS 36 Ca 0.74 0.78 0.00 0.00 0.25 0.00 0.00 55.06 56.83 2kfw s HIS 36 Cb -0.14 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.31 2kfw s HIS 36 CO 0.23 -3.28 0.00 0.41 -0.65 0.00 0.00 174.74 171.44 2kfw n GLY 37 N 2.84 2.85 2.69 1.59 0.00 -1.26 -3.91 105.19 109.99 2kfw n GLY 37 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.72 2.06 -1.35 1.61 4.02 -0.81 -4.85 115.29 113.25 2kfw s HIS 38 Ca 0.00 -2.52 -0.05 0.00 1.02 0.00 0.00 55.06 53.51 2kfw s HIS 38 Cb 0.00 -1.85 0.02 0.00 -1.02 0.00 0.00 32.58 29.73 2kfw s HIS 38 CO 0.00 -0.76 0.91 0.41 1.02 0.00 0.00 174.74 176.32 2kfw n GLY 39 N 3.25 -0.40 0.02 -2.22 0.00 -1.26 -4.65 105.19 99.93 2kfw n GLY 39 Ca 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 2kfw n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfw h SER 40 N -2.07 -0.01 0.00 1.61 4.64 -1.89 -3.45 113.55 112.38 2kfw h SER 40 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2kfw h SER 40 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2kfw h SER 40 CO 0.58 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.90 2kfw n LEU 41 N -3.10 0.00 -4.04 5.97 4.32 -1.26 -4.94 117.00 113.95 2kfw n LEU 41 Ca -0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.75 2kfw n LEU 41 Cb 0.00 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.64 2kfw n LEU 41 CO 0.00 0.00 -0.47 -0.63 -1.22 0.00 0.00 177.39 175.07 2kfw s ILE 42 N 0.53 1.12 0.61 -0.08 -1.09 -1.26 -4.95 121.20 116.08 2kfw s ILE 42 Ca 0.00 -0.51 0.27 0.00 -2.23 0.00 0.00 60.65 58.18 2kfw s ILE 42 Cb 0.00 -1.01 0.34 0.00 -1.58 0.00 0.00 42.46 40.21 2kfw s ILE 42 CO 0.00 0.34 1.72 0.77 -1.23 0.00 0.00 174.94 176.54 2kfw h SER 43 N 6.67 0.00 0.02 3.58 4.64 -1.96 2.12 113.55 128.61 2kfw h SER 43 Ca -0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2kfw h SER 43 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kfw h SER 43 CO 0.48 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.66 2kfw h GLY 44 N 0.00 -0.03 1.16 -0.77 0.00 -1.94 -3.22 103.07 98.26 2kfw h GLY 44 Ca 0.21 0.01 -0.29 0.00 0.00 0.00 0.00 47.33 47.26 2kfw h GLY 44 CO -0.00 -0.01 -1.59 0.17 0.00 0.00 0.00 176.54 175.11 2kfw h LEU 45 N -0.79 0.17 -1.01 3.11 8.10 -1.20 -3.35 115.31 120.35 2kfw h LEU 45 Ca -0.00 -0.29 0.17 0.00 0.11 0.00 0.00 57.88 57.87 2kfw h LEU 45 Cb 0.71 -0.06 -0.10 0.00 -0.44 0.00 0.00 40.66 40.77 2kfw h LEU 45 CO 0.01 1.25 0.62 -0.08 -4.11 0.00 0.00 178.44 176.12 2kfw h GLU 46 N 0.03 0.81 0.00 0.17 4.81 0.32 0.55 114.58 121.27 2kfw h GLU 46 Ca -0.25 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2kfw h GLU 46 Cb 1.98 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 31.18 2kfw h GLU 46 CO 0.11 0.53 -0.02 1.79 -0.73 0.00 0.00 179.01 180.70 2kfw h THR 47 N 0.83 0.08 0.01 0.32 1.35 -1.68 -2.20 112.91 111.62 2kfw h THR 47 Ca 0.56 -0.30 -0.23 0.00 -0.55 0.00 0.00 66.41 65.89 2kfw h THR 47 Cb 0.79 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 2kfw h THR 47 CO -0.35 0.02 -1.13 0.00 -0.25 0.00 0.00 175.52 173.81 2kfw h ALA 48 N 1.98 0.39 -0.48 6.62 0.00 -0.06 -3.28 119.26 124.44 2kfw h ALA 48 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 2kfw h ALA 48 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kfw h ALA 48 CO 0.00 1.28 0.23 -0.07 0.00 0.00 0.00 179.25 180.69 2kfw h LEU 49 N 0.01 0.59 -9.68 0.00 -0.00 -1.03 -3.38 115.31 101.83 2kfw h LEU 49 Ca -0.06 -0.05 -0.53 0.00 -0.00 0.00 0.00 57.88 57.24 2kfw h LEU 49 Cb 1.82 -0.15 0.06 0.00 -0.00 0.00 0.00 40.66 42.40 2kfw h LEU 49 CO 0.13 0.51 0.99 1.21 -0.00 0.00 0.00 178.44 181.28 2kfw n GLU 50 N -4.39 2.75 -3.88 1.13 2.13 -1.23 -2.88 120.64 114.27 2kfw n GLU 50 Ca 0.04 0.99 -0.36 0.00 0.66 0.00 0.00 57.16 58.49 2kfw n GLU 50 Cb 0.12 -2.83 0.02 0.00 0.27 0.00 0.00 31.44 29.03 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 3.66 -1.01 0.47 8.31 0.00 -1.26 -4.91 105.19 110.44 2kfw n GLY 51 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.14 0.00 0.00 1.61 -0.00 -1.14 -5.06 115.22 106.50 2kfw n HIS 52 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 2kfw n HIS 52 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 2kfw n HIS 52 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2kfw n GLU 53 N -2.26 0.00 -2.88 1.57 0.28 -1.26 -5.07 120.64 111.01 2kfw n GLU 53 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2kfw n GLU 53 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kfw s VAL 54 N 0.00 4.80 0.00 3.84 1.01 -1.26 -3.31 120.40 125.48 2kfw s VAL 54 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2kfw s VAL 54 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2kfw s VAL 54 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2kfw n GLY 55 N 3.86 0.76 3.59 4.51 0.00 -0.98 -5.03 105.19 111.90 2kfw n GLY 55 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.69 4.20 0.14 1.61 -1.08 -1.21 -4.93 116.67 112.71 2kfw s ASP 56 Ca 0.00 -0.80 0.06 0.00 -0.52 0.00 0.00 52.55 51.29 2kfw s ASP 56 Cb 0.00 -0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 40.78 2kfw s ASP 56 CO 0.00 -0.01 0.02 -1.59 0.52 0.00 0.00 175.17 174.11 2kfw s LYS 57 N -3.63 2.53 -0.06 4.34 -2.85 -1.26 -2.36 119.74 116.45 2kfw s LYS 57 Ca 0.31 -0.96 -0.15 0.00 -1.00 0.00 0.00 55.97 54.18 2kfw s LYS 57 Cb -0.05 -2.47 0.03 0.00 -2.06 0.00 0.00 37.83 33.27 2kfw s LYS 57 CO 0.18 0.50 0.34 -0.59 0.10 0.00 0.00 175.35 175.88 2kfw s PHE 58 N -1.55 -0.28 -0.17 1.78 -0.71 0.26 -4.95 117.98 112.36 2kfw s PHE 58 Ca 0.27 0.55 -0.02 0.00 -1.04 0.00 0.00 56.93 56.70 2kfw s PHE 58 Cb -0.10 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 2kfw s PHE 58 CO 0.19 -0.33 -0.10 0.34 -1.34 0.00 0.00 175.22 173.98 2kfw s ASP 59 N -0.77 4.06 0.07 1.98 2.15 -1.26 -0.04 116.67 122.87 2kfw s ASP 59 Ca -0.09 -0.37 0.09 0.00 0.43 0.00 0.00 52.55 52.62 2kfw s ASP 59 Cb -0.04 -1.65 -0.03 0.00 -0.30 0.00 0.00 42.92 40.90 2kfw s ASP 59 CO 0.03 0.08 -0.25 0.68 -0.17 0.00 0.00 175.17 175.54 2kfw s VAL 60 N 0.85 2.06 -0.34 1.11 -7.23 -0.73 -4.93 120.40 111.19 2kfw s VAL 60 Ca -0.03 -1.47 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 2kfw s VAL 60 Cb -0.15 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2kfw s VAL 60 CO 0.00 0.24 0.67 0.00 -0.31 0.00 0.00 175.10 175.71 2kfw s ALA 61 N -0.90 3.48 -0.33 1.32 0.00 -1.26 -1.68 121.76 122.39 2kfw s ALA 61 Ca 0.11 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2kfw s ALA 61 Cb -0.10 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 20.00 2kfw s ALA 61 CO 0.03 -1.29 0.53 0.14 0.00 0.00 0.00 175.76 175.17 2kfw s VAL 62 N 2.77 -0.83 0.00 0.00 -7.23 -1.13 -4.98 120.40 109.00 2kfw s VAL 62 Ca 0.26 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2kfw s VAL 62 Cb -0.14 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2kfw s VAL 62 CO 0.14 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2kfw n GLY 63 N 5.03 0.15 0.18 2.32 0.00 -1.26 -4.34 105.19 107.27 2kfw n GLY 63 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 0.13 0.85 0.00 4.61 0.00 -1.91 -1.76 119.26 121.19 2kfw h ALA 64 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kfw h ALA 64 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kfw h ALA 64 CO 0.00 0.19 -0.08 -0.91 0.00 0.00 0.00 179.25 178.45 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 2.35 -1.95 -3.35 115.58 112.63 2kfw h ASN 65 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2kfw h ASN 65 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2kfw h ASN 65 CO 0.02 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 2kfw n ASP 66 N -2.44 0.00 0.00 5.81 8.00 -1.21 -4.97 116.55 121.74 2kfw n ASP 66 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2kfw n ASP 66 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n ALA 67 N 0.00 0.00 0.50 2.24 0.00 -0.68 -4.32 120.51 118.25 2kfw n ALA 67 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2kfw n ALA 67 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N 0.00 0.42 -0.04 0.00 4.01 -1.26 -4.54 117.16 115.75 2kfw n TYR 68 Ca 0.00 -0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.49 2kfw n TYR 68 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.45 -0.52 3.02 2.72 0.00 -1.22 -5.06 105.19 105.58 2kfw n GLY 69 Ca 0.19 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.43 -2.09 -2.42 1.61 6.02 -1.09 -4.84 117.38 111.13 2kfw n GLN 70 Ca -0.06 1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 58.35 2kfw n GLN 70 Cb 0.24 -3.63 -0.03 0.00 1.02 0.00 0.00 30.24 27.85 2kfw n GLN 70 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2kfw s TYR 71 N -1.64 3.24 -0.65 1.08 5.04 -1.26 -4.93 117.35 118.24 2kfw s TYR 71 Ca 0.12 1.20 0.05 0.00 -2.44 0.00 0.00 57.07 56.00 2kfw s TYR 71 Cb -0.02 -3.45 0.17 0.00 0.35 0.00 0.00 41.96 39.01 2kfw s TYR 71 CO 0.58 -1.43 0.46 -0.51 -1.34 0.00 0.00 175.55 173.31 2kfw s ASP 72 N 1.38 4.23 0.00 4.32 1.11 -1.26 -4.90 116.67 121.55 2kfw s ASP 72 Ca 0.58 -3.68 0.14 0.00 0.18 0.00 0.00 52.55 49.77 2kfw s ASP 72 Cb -0.27 -1.43 0.66 0.00 1.07 0.00 0.00 42.92 42.96 2kfw s ASP 72 CO 0.25 -0.11 1.39 -0.62 1.18 0.00 0.00 175.17 177.27 2kfw n GLU 73 N 2.18 0.13 -0.08 8.23 1.02 -1.26 -2.40 120.64 128.47 2kfw n GLU 73 Ca 0.21 0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.43 2kfw n GLU 73 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 2kfw n GLU 73 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2kfw h ASN 74 N 0.00 0.37 0.00 1.62 -0.73 -1.91 -3.43 115.58 111.50 2kfw h ASN 74 Ca 0.00 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.94 2kfw h ASN 74 Cb 0.16 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.66 2kfw h ASN 74 CO 0.00 0.50 0.00 0.00 -0.37 0.00 0.00 177.43 177.56 2kfw n LEU 75 N -4.73 0.00 -3.63 0.34 -0.00 -1.17 -4.70 117.00 103.11 2kfw n LEU 75 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.72 2kfw n LEU 75 Cb 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.43 2kfw n LEU 75 CO 0.36 0.00 -0.34 -0.69 -0.00 0.00 0.00 177.39 176.73 2kfw s VAL 76 N 0.00 0.00 -0.04 1.47 1.01 -1.01 -3.43 120.40 118.40 2kfw s VAL 76 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2kfw s VAL 76 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2kfw s VAL 76 CO 0.00 -0.25 0.34 -1.58 0.00 0.00 0.00 175.10 173.60 2kfw s GLN 77 N 2.10 0.63 -0.02 2.72 0.74 0.27 0.15 119.66 126.25 2kfw s GLN 77 Ca 0.02 -0.03 0.06 0.00 0.05 0.00 0.00 55.36 55.46 2kfw s GLN 77 Cb -0.16 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 2kfw s GLN 77 CO -0.09 -0.16 -0.20 0.50 -0.55 0.00 0.00 175.29 174.79 2kfw s ARG 78 N -1.00 1.65 -0.30 1.67 3.52 -1.26 -0.20 118.95 123.03 2kfw s ARG 78 Ca -0.11 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 2kfw s ARG 78 Cb -0.04 -1.57 0.14 0.00 -1.56 0.00 0.00 34.95 31.92 2kfw s ARG 78 CO 0.04 0.41 0.75 0.54 -0.81 0.00 0.00 175.30 176.23 2kfw s VAL 79 N -0.42 -0.85 0.83 7.11 0.11 -1.13 -4.52 120.40 121.53 2kfw s VAL 79 Ca 0.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 2kfw s VAL 79 Cb -0.08 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2kfw s VAL 79 CO -0.00 0.00 1.10 -2.16 -3.33 0.00 0.00 175.10 170.70 2kfw s PRO 80 N 2.77 1.77 0.33 1.54 0.04 -1.26 -2.66 135.00 137.53 2kfw s PRO 80 Ca -0.03 0.64 0.22 0.00 0.04 0.00 0.00 61.00 61.88 2kfw s PRO 80 Cb -0.10 -1.88 1.19 0.00 0.04 0.00 0.00 34.50 33.74 2kfw s PRO 80 CO -0.19 -1.84 1.69 1.63 0.04 0.00 0.00 177.00 178.33 2kfw n LYS 81 N -3.58 0.15 0.29 4.56 5.02 -1.26 -1.74 118.16 121.60 2kfw n LYS 81 Ca 0.07 0.62 0.14 0.00 -2.02 0.00 0.00 58.31 57.12 2kfw n LYS 81 Cb 0.56 -1.97 0.87 0.00 -0.02 0.00 0.00 35.03 34.48 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 1.06 4.39 3.58 -1.91 -1.04 116.42 122.51 2kfw h ASP 82 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2kfw h ASP 82 Cb 0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2kfw h ASP 82 CO 0.00 0.01 -0.77 0.58 -2.88 0.00 0.00 179.24 176.18 2kfw h VAL 83 N 0.00 1.39 0.00 2.25 2.07 -1.70 -3.15 116.25 117.11 2kfw h VAL 83 Ca -0.00 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 64.72 2kfw h VAL 83 Cb 0.02 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2kfw h VAL 83 CO 0.00 0.75 -0.09 -0.26 0.02 0.00 0.00 177.57 178.00 2kfw h PHE 84 N 0.00 0.00 -6.74 1.57 0.04 -1.35 -3.47 116.94 106.98 2kfw h PHE 84 Ca -0.01 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 2kfw h PHE 84 Cb 1.51 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.58 2kfw h PHE 84 CO 0.00 0.09 -0.95 -0.12 -0.60 0.00 0.00 178.31 176.73 2kfw n MET 85 N -3.17 -1.65 0.00 1.51 1.56 -1.12 -4.57 117.12 109.67 2kfw n MET 85 Ca 0.02 0.24 0.00 0.00 -0.27 0.00 0.00 57.70 57.69 2kfw n MET 85 Cb 0.43 -3.77 0.00 0.00 2.15 0.00 0.00 33.22 32.03 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kfw n GLY 86 N -2.17 1.95 0.00 -5.12 0.00 -1.26 -5.15 105.19 93.44 2kfw n GLY 86 Ca -0.25 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.27 0.00 0.00 1.61 0.24 -1.26 -5.10 118.33 114.10 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 -3.19 -1.34 8.00 -1.26 -5.09 116.55 113.67 2kfw n ASP 88 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 2kfw n ASP 88 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfw s GLU 89 N 0.00 0.52 -0.35 -1.24 2.02 -1.26 -5.11 118.70 113.28 2kfw s GLU 89 Ca 0.00 0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.63 2kfw s GLU 89 Cb 0.00 0.19 0.10 0.00 0.10 0.00 0.00 34.13 34.52 2kfw s GLU 89 CO 0.00 -0.89 0.09 -0.51 0.02 0.00 0.00 175.26 173.98 2kfw s LEU 90 N 2.77 3.85 0.00 1.80 1.02 -1.26 -5.07 118.68 121.78 2kfw s LEU 90 Ca 0.13 -2.11 0.00 0.00 0.02 0.00 0.00 54.13 52.18 2kfw s LEU 90 Cb -0.12 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.72 2kfw s LEU 90 CO -0.24 -0.37 0.00 0.00 0.02 0.00 0.00 176.35 175.76 2kfw n GLN 91 N 4.29 0.93 -2.72 1.70 10.64 -1.26 -4.97 117.38 125.98 2kfw n GLN 91 Ca 0.03 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.78 2kfw n GLN 91 Cb 0.41 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.75 2kfw n GLN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kfw s VAL 92 N 0.78 4.76 0.00 -0.39 0.11 -1.26 -3.16 120.40 121.24 2kfw s VAL 92 Ca 0.00 2.06 0.00 0.00 -2.93 0.00 0.00 61.98 61.11 2kfw s VAL 92 Cb 0.00 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 2kfw s VAL 92 CO 0.00 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 2kfw n GLY 93 N 2.71 2.69 3.67 6.54 0.00 0.71 -4.93 105.19 116.59 2kfw n GLY 93 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kfw n MET 94 N -2.00 1.56 -3.68 1.61 1.56 -1.15 -4.38 117.12 110.64 2kfw n MET 94 Ca 0.00 0.56 -0.36 0.00 -0.27 0.00 0.00 57.70 57.63 2kfw n MET 94 Cb 0.00 -2.31 -0.09 0.00 2.15 0.00 0.00 33.22 32.97 2kfw n MET 94 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 2kfw s ARG 95 N -2.41 4.09 0.30 2.12 6.06 -1.26 0.15 118.95 128.00 2kfw s ARG 95 Ca 0.66 -0.26 0.09 0.00 -2.50 0.00 0.00 55.73 53.73 2kfw s ARG 95 Cb -0.48 -3.51 -0.05 0.00 0.06 0.00 0.00 34.95 30.97 2kfw s ARG 95 CO 0.54 0.11 -0.00 0.12 -2.50 0.00 0.00 175.30 173.57 2kfw s PHE 96 N 0.91 2.61 -0.22 5.12 5.36 -1.06 -4.91 117.98 125.79 2kfw s PHE 96 Ca 0.08 -0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2kfw s PHE 96 Cb -0.13 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 41.25 2kfw s PHE 96 CO 0.03 0.56 -0.09 -1.17 -1.46 0.00 0.00 175.22 173.09 2kfw s LEU 97 N -3.69 2.78 -0.33 6.12 1.98 -1.26 -0.16 118.68 124.12 2kfw s LEU 97 Ca 0.33 -0.59 -0.26 0.00 -2.89 0.00 0.00 54.13 50.73 2kfw s LEU 97 Cb -0.04 -1.65 0.01 0.00 0.66 0.00 0.00 46.19 45.17 2kfw s LEU 97 CO 0.20 -0.04 0.91 0.00 -1.89 0.00 0.00 176.35 175.52 2kfw s ALA 98 N 1.39 3.49 -0.42 5.97 0.00 0.19 -4.89 121.76 127.49 2kfw s ALA 98 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 2kfw s ALA 98 Cb -0.15 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.58 2kfw s ALA 98 CO -0.06 -1.39 0.26 -1.21 0.00 0.00 0.00 175.76 173.36 2kfw s GLU 99 N 3.29 2.63 0.14 0.00 0.41 -1.26 -0.46 118.70 123.45 2kfw s GLU 99 Ca 0.38 -1.44 0.05 0.00 -0.41 0.00 0.00 54.97 53.55 2kfw s GLU 99 Cb -0.13 -3.79 -0.04 0.00 -1.78 0.00 0.00 34.13 28.38 2kfw s GLU 99 CO 0.15 -0.95 -0.12 0.95 -0.49 0.00 0.00 175.26 174.80 2kfw s THR 100 N 1.44 1.29 0.66 3.63 -4.23 -1.22 -5.01 115.64 112.20 2kfw s THR 100 Ca 0.03 -1.94 0.42 0.00 -1.18 0.00 0.00 61.69 59.02 2kfw s THR 100 Cb -0.23 -1.74 0.43 0.00 1.34 0.00 0.00 72.50 72.30 2kfw s THR 100 CO 0.02 -0.60 2.33 -0.78 -0.54 0.00 0.00 174.62 175.05 2kfw h ASP 101 N 3.04 0.00 0.54 3.99 1.82 -2.04 0.14 116.42 123.92 2kfw h ASP 101 Ca -0.38 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2kfw h ASP 101 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2kfw h ASP 101 CO 0.58 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.21 2kfw n GLN 102 N -3.16 0.13 0.00 0.28 6.02 -1.26 -4.95 117.38 114.44 2kfw n GLN 102 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2kfw n GLN 102 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfw n GLY 103 N 0.48 3.59 3.69 1.08 0.00 0.49 -5.05 105.19 109.48 2kfw n GLY 103 Ca 0.07 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -2.86 4.34 -0.21 1.61 0.04 -1.26 -3.40 135.00 133.26 2kfw s PRO 104 Ca 0.00 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2kfw s PRO 104 Cb 0.00 -3.50 0.07 0.00 0.04 0.00 0.00 34.50 31.10 2kfw s PRO 104 CO 0.00 -0.45 0.04 0.08 0.04 0.00 0.00 177.00 176.70 2kfw s VAL 105 N 1.99 0.64 0.18 -0.36 1.01 0.40 -5.01 120.40 119.25 2kfw s VAL 105 Ca 0.60 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2kfw s VAL 105 Cb -0.29 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 2kfw s VAL 105 CO 0.25 -0.26 1.19 -2.16 0.00 0.00 0.00 175.10 174.12 2kfw s PRO 106 N 1.79 4.50 0.48 2.72 0.04 -1.26 0.56 135.00 143.83 2kfw s PRO 106 Ca -0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2kfw s PRO 106 Cb -0.17 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2kfw s PRO 106 CO -0.10 -0.08 0.03 1.33 0.04 0.00 0.00 177.00 178.21 2kfw n VAL 107 N 2.58 0.00 -3.96 -0.36 0.24 0.78 -4.81 118.33 112.80 2kfw n VAL 107 Ca 0.04 -2.23 -0.18 0.00 -2.04 0.00 0.00 64.34 59.93 2kfw n VAL 107 Cb 0.45 0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 33.07 2kfw n VAL 107 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kfw s GLU 108 N -3.74 0.42 -0.19 7.34 2.02 -1.26 -2.55 118.70 120.74 2kfw s GLU 108 Ca 0.02 0.05 -0.25 0.00 0.02 0.00 0.00 54.97 54.81 2kfw s GLU 108 Cb -0.00 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.63 2kfw s GLU 108 CO 0.01 -0.14 0.84 0.42 0.02 0.00 0.00 175.26 176.42 2kfw s ILE 109 N 1.08 4.86 -0.35 -1.63 -1.09 0.40 -2.10 121.20 122.38 2kfw s ILE 109 Ca -0.09 1.65 0.05 0.00 -2.23 0.00 0.00 60.65 60.02 2kfw s ILE 109 Cb -0.14 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2kfw s ILE 109 CO -0.02 -0.01 0.34 1.07 -1.23 0.00 0.00 174.94 175.10 2kfw n THR 110 N 4.88 0.00 -3.63 2.92 5.66 -0.97 0.26 114.28 123.40 2kfw n THR 110 Ca 0.05 -0.43 -0.01 0.00 -3.05 0.00 0.00 64.05 60.61 2kfw n THR 110 Cb 0.48 1.03 -0.02 0.00 -1.55 0.00 0.00 70.33 70.28 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 -1.12 -2.25 -0.02 1.79 0.00 -1.24 -4.47 121.76 114.45 2kfw s ALA 111 Ca 0.03 1.75 0.04 0.00 0.00 0.00 0.00 51.96 53.78 2kfw s ALA 111 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2kfw s ALA 111 CO 0.15 -0.63 -0.15 0.54 0.00 0.00 0.00 175.76 175.67 2kfw s VAL 112 N -2.05 1.21 0.50 0.00 0.11 -1.26 -2.53 120.40 116.38 2kfw s VAL 112 Ca 0.12 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2kfw s VAL 112 Cb 0.00 -1.03 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2kfw s VAL 112 CO -0.03 0.35 0.02 1.21 -3.33 0.00 0.00 175.10 173.31 2kfw n GLU 113 N 2.94 0.74 -2.17 1.54 0.00 0.14 -4.98 120.64 118.85 2kfw n GLU 113 Ca -0.16 -3.71 -0.42 0.00 0.00 0.00 0.00 57.16 52.86 2kfw n GLU 113 Cb 0.54 1.09 -0.03 0.00 0.00 0.00 0.00 31.44 33.04 2kfw n GLU 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2kfw s ASP 114 N -3.79 6.83 -1.16 4.31 -1.08 -1.26 -2.96 116.67 117.55 2kfw s ASP 114 Ca 0.02 2.29 -0.13 0.00 -0.52 0.00 0.00 52.55 54.21 2kfw s ASP 114 Cb 0.00 -2.58 0.12 0.00 -1.46 0.00 0.00 42.92 39.00 2kfw s ASP 114 CO 0.02 -0.67 0.39 0.47 0.52 0.00 0.00 175.17 175.90 2kfw n ASP 115 N 4.25 -2.09 -3.63 -0.34 8.00 -1.26 -4.84 116.55 116.64 2kfw n ASP 115 Ca 0.12 -0.50 -0.06 0.00 0.71 0.00 0.00 54.79 55.06 2kfw n ASP 115 Cb 0.43 -1.82 -0.06 0.00 -0.02 0.00 0.00 41.12 39.65 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 -2.79 -0.22 0.47 1.24 2.46 -1.16 -4.69 115.29 110.60 2kfw s HIS 116 Ca 0.47 0.47 0.02 0.00 0.47 0.00 0.00 55.06 56.50 2kfw s HIS 116 Cb -0.27 0.45 -0.02 0.00 -0.13 0.00 0.00 32.58 32.61 2kfw s HIS 116 CO 0.58 -0.15 0.05 0.08 -2.47 0.00 0.00 174.74 172.82 2kfw s VAL 117 N -0.46 1.01 -0.06 0.89 1.01 -1.09 0.27 120.40 121.98 2kfw s VAL 117 Ca 0.05 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.02 2kfw s VAL 117 Cb -0.03 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.11 2kfw s VAL 117 CO -0.07 0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.57 2kfw s VAL 118 N -2.98 0.30 -0.02 2.92 0.11 -1.05 -2.85 120.40 116.83 2kfw s VAL 118 Ca 0.13 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.35 2kfw s VAL 118 Cb 0.02 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2kfw s VAL 118 CO 0.08 0.22 -0.16 0.68 -3.33 0.00 0.00 175.10 172.59 2kfw s VAL 119 N 1.65 1.30 -0.25 2.04 -7.23 0.73 -2.30 120.40 116.33 2kfw s VAL 119 Ca -0.00 -0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 59.24 2kfw s VAL 119 Cb -0.13 -1.10 -0.00 0.00 0.56 0.00 0.00 36.38 35.71 2kfw s VAL 119 CO -0.03 0.37 0.82 1.51 -0.31 0.00 0.00 175.10 177.46 2kfw s ASP 120 N -0.23 6.82 0.00 4.85 1.47 -0.89 0.94 116.67 129.62 2kfw s ASP 120 Ca 0.03 1.01 0.00 0.00 1.18 0.00 0.00 52.55 54.77 2kfw s ASP 120 Cb -0.08 -2.43 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 2kfw s ASP 120 CO 0.00 -0.52 0.00 0.61 0.68 0.00 0.00 175.17 175.94 2kfw n GLY 121 N 3.79 -1.77 3.16 2.12 0.00 -1.22 -4.02 105.19 107.24 2kfw n GLY 121 Ca 0.05 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.52 2kfw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfw s ASN 122 N -4.00 3.32 0.47 1.61 2.20 -1.24 -2.60 114.94 114.70 2kfw s ASN 122 Ca 0.00 -0.60 -0.20 0.00 -0.94 0.00 0.00 52.86 51.12 2kfw s ASN 122 Cb 0.00 -1.52 -0.12 0.00 -2.00 0.00 0.00 41.25 37.61 2kfw s ASN 122 CO 0.00 0.01 0.36 1.57 -2.94 0.00 0.00 177.10 176.10 2kfw n HIS 123 N 4.56 -1.18 0.08 1.54 -0.00 0.39 -4.24 115.22 116.36 2kfw n HIS 123 Ca -0.20 0.54 -0.19 0.00 0.46 0.00 0.00 57.72 58.33 2kfw n HIS 123 Cb 0.50 -1.90 -0.10 0.00 -0.12 0.00 0.00 29.99 28.37 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 0.45 0.53 -2.74 1.57 4.05 -1.80 -3.39 114.93 113.61 2kfw h MET 124 Ca -0.41 -0.66 -0.61 0.00 -0.28 0.00 0.00 59.70 57.74 2kfw h MET 124 Cb 1.41 0.21 -0.41 0.00 -0.80 0.00 0.00 31.60 32.02 2kfw h MET 124 CO 0.48 1.27 -0.70 -0.11 0.23 0.00 0.00 176.91 178.09 2kfw n LEU 125 N -3.75 2.18 -3.68 3.39 0.00 -1.26 -5.07 117.00 108.81 2kfw n LEU 125 Ca -0.11 -5.03 -0.06 0.00 0.00 0.00 0.00 56.01 50.81 2kfw n LEU 125 Cb 0.93 -0.37 -0.02 0.00 0.00 0.00 0.00 43.42 43.96 2kfw n LEU 125 CO 0.55 1.84 0.61 0.00 0.00 0.00 0.00 177.39 180.40 2kfw s ALA 126 N -1.25 -1.59 0.00 1.96 0.00 -1.26 -4.80 121.76 114.81 2kfw s ALA 126 Ca 0.29 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2kfw s ALA 126 Cb 0.02 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2kfw s ALA 126 CO -0.15 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.09 2kfw n GLY 127 N -0.41 1.04 2.68 0.00 0.00 -1.26 -4.91 105.19 102.34 2kfw n GLY 127 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 0.66 0.62 1.61 -0.21 -1.26 -5.06 119.66 115.19 2kfw s GLN 128 Ca 0.00 -1.06 -0.18 0.00 0.02 0.00 0.00 55.36 54.14 2kfw s GLN 128 Cb 0.00 -0.86 -0.13 0.00 1.00 0.00 0.00 33.01 33.02 2kfw s GLN 128 CO 0.00 -1.22 -0.11 0.27 -2.12 0.00 0.00 175.29 172.11 2kfw n ASN 129 N 4.04 -3.57 -4.51 5.90 6.94 -1.26 -4.65 115.26 118.15 2kfw n ASN 129 Ca 0.13 0.57 -0.24 0.00 -0.02 0.00 0.00 54.58 55.02 2kfw n ASN 129 Cb 0.44 -0.90 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 2kfw n ASN 129 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 2kfw s LEU 130 N 4.56 2.62 0.03 -4.53 0.05 -1.26 -4.60 118.68 115.55 2kfw s LEU 130 Ca 0.56 -1.24 -0.18 0.00 0.05 0.00 0.00 54.13 53.32 2kfw s LEU 130 Cb -0.42 -0.80 -0.06 0.00 -2.05 0.00 0.00 46.19 42.86 2kfw s LEU 130 CO 0.67 -0.33 0.51 -0.54 -0.55 0.00 0.00 176.35 176.12 2kfw s LYS 131 N -3.69 4.14 -0.37 1.48 3.01 -1.11 -2.83 119.74 120.37 2kfw s LYS 131 Ca 0.32 0.61 0.02 0.00 -1.01 0.00 0.00 55.97 55.91 2kfw s LYS 131 Cb 0.05 -3.26 0.11 0.00 -1.01 0.00 0.00 37.83 33.71 2kfw s LYS 131 CO 0.15 0.58 0.12 0.12 0.51 0.00 0.00 175.35 176.84 2kfw s PHE 132 N -0.85 2.62 -0.23 3.18 5.36 -0.67 -2.76 117.98 124.64 2kfw s PHE 132 Ca 0.27 -2.45 -0.26 0.00 -0.96 0.00 0.00 56.93 53.54 2kfw s PHE 132 Cb -0.18 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2kfw s PHE 132 CO 0.16 -0.87 0.88 1.21 -1.46 0.00 0.00 175.22 175.14 2kfw s ASN 133 N 0.94 6.91 0.22 6.13 2.47 -0.80 -1.77 114.94 129.04 2kfw s ASN 133 Ca 0.12 1.13 0.05 0.00 0.42 0.00 0.00 52.86 54.59 2kfw s ASN 133 Cb -0.20 -2.46 -0.05 0.00 -1.45 0.00 0.00 41.25 37.09 2kfw s ASN 133 CO -0.12 -0.53 -0.07 -0.69 -3.72 0.00 0.00 177.10 171.98 2kfw s VAL 134 N 2.81 1.34 -0.16 -5.21 1.01 0.94 -0.03 120.40 121.10 2kfw s VAL 134 Ca 0.37 -2.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.16 2kfw s VAL 134 Cb -0.15 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.08 2kfw s VAL 134 CO 0.08 -0.47 0.40 -0.70 0.00 0.00 0.00 175.10 174.41 2kfw s GLU 135 N -3.76 0.40 0.21 2.72 2.12 -0.72 0.90 118.70 120.58 2kfw s GLU 135 Ca 0.25 0.70 -0.28 0.00 0.36 0.00 0.00 54.97 55.99 2kfw s GLU 135 Cb 0.03 0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.39 2kfw s GLU 135 CO 0.07 -0.12 0.88 0.08 -0.54 0.00 0.00 175.26 175.63 2kfw s VAL 136 N 1.00 4.19 -0.10 3.70 1.01 -1.00 -2.42 120.40 126.78 2kfw s VAL 136 Ca -0.06 1.95 0.02 0.00 0.00 0.00 0.00 61.98 63.88 2kfw s VAL 136 Cb -0.07 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2kfw s VAL 136 CO -0.08 0.50 -0.08 0.52 0.00 0.00 0.00 175.10 175.96 2kfw n VAL 137 N 1.57 0.61 -3.77 2.92 0.31 0.54 -2.31 118.33 118.20 2kfw n VAL 137 Ca -0.03 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 2kfw n VAL 137 Cb 0.48 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.01 -0.27 3.52 0.00 -1.18 -4.64 121.76 115.96 2kfw s ALA 138 Ca -0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 2kfw s ALA 138 Cb 0.04 0.88 0.15 0.00 0.00 0.00 0.00 23.12 24.18 2kfw s ALA 138 CO 0.26 -0.87 0.37 0.42 0.00 0.00 0.00 175.76 175.94 2kfw s ILE 139 N -3.89 -0.57 0.18 0.00 1.01 -1.25 -2.91 121.20 113.77 2kfw s ILE 139 Ca 0.10 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.56 2kfw s ILE 139 Cb -0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2kfw s ILE 139 CO 0.00 -0.27 -0.13 -0.13 0.00 0.00 0.00 174.94 174.41 2kfw s ARG 140 N 2.50 1.23 0.56 2.79 0.52 -0.15 -4.92 118.95 121.48 2kfw s ARG 140 Ca 0.10 -1.51 -0.17 0.00 -0.52 0.00 0.00 55.73 53.63 2kfw s ARG 140 Cb -0.14 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 2kfw s ARG 140 CO -0.26 0.16 1.04 -2.00 0.02 0.00 0.00 175.30 174.26 2kfw s GLU 141 N -3.55 3.51 0.28 3.54 2.12 -1.26 0.24 118.70 123.58 2kfw s GLU 141 Ca 0.19 1.19 0.03 0.00 0.36 0.00 0.00 54.97 56.74 2kfw s GLU 141 Cb -0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 2kfw s GLU 141 CO 0.05 -0.65 0.43 0.00 -0.54 0.00 0.00 175.26 174.54 2kfw s ALA 142 N -2.40 3.85 1.09 6.30 0.00 -1.09 -4.58 121.76 124.92 2kfw s ALA 142 Ca 0.63 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 2kfw s ALA 142 Cb -0.15 -1.87 0.16 0.00 0.00 0.00 0.00 23.12 21.27 2kfw s ALA 142 CO 0.33 0.15 0.71 0.25 0.00 0.00 0.00 175.76 177.19 2kfw n THR 143 N -1.54 0.00 -0.11 0.00 -2.24 -1.26 -4.74 114.28 104.39 2kfw n THR 143 Ca -0.07 -0.41 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 2kfw n THR 143 Cb 0.57 -1.37 0.17 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.80 -0.08 -0.78 4.22 -1.99 -2.59 114.58 114.16 2kfw h GLU 144 Ca -0.25 -0.20 -0.17 0.00 0.08 0.00 0.00 59.36 58.81 2kfw h GLU 144 Cb 0.73 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kfw h GLU 144 CO 0.17 0.79 -0.69 1.49 -2.18 0.00 0.00 179.01 178.59 2kfw h GLU 145 N 0.76 0.38 -0.13 1.92 4.81 -1.99 -1.84 114.58 118.49 2kfw h GLU 145 Ca 0.15 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2kfw h GLU 145 Cb 0.42 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2kfw h GLU 145 CO 0.01 0.93 0.07 0.93 -0.73 0.00 0.00 179.01 180.22 2kfw h GLU 146 N 0.27 0.18 0.00 1.92 3.07 -1.74 -1.88 114.58 116.40 2kfw h GLU 146 Ca -0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2kfw h GLU 146 Cb 1.25 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2kfw h GLU 146 CO 0.12 0.21 0.00 -0.07 -1.40 0.00 0.00 179.01 177.87 2kfw h LEU 147 N 0.11 0.00 0.17 1.33 -0.00 -1.49 0.24 115.31 115.67 2kfw h LEU 147 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2kfw h LEU 147 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2kfw h LEU 147 CO -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 178.44 178.35 2kfw h ALA 148 N 2.35 -0.23 -0.01 1.53 0.00 -0.53 -3.23 119.26 119.14 2kfw h ALA 148 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kfw h ALA 148 Cb 0.57 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kfw h ALA 148 CO 0.00 -0.37 -0.20 0.72 0.00 0.00 0.00 179.25 179.40 2kfw n HIS 149 N -4.97 0.00 -2.75 0.00 8.25 -0.95 -4.93 115.22 109.87 2kfw n HIS 149 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2kfw n HIS 149 Cb 0.26 -0.09 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 1.31 0.42 2.37 -1.41 0.00 -0.30 -5.03 105.19 102.55 2kfw n GLY 150 Ca 0.14 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2kfw n GLY 150 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 151 N -3.41 0.42 -4.58 1.61 8.25 0.68 -4.57 115.22 113.62 2kfw n HIS 151 Ca -0.01 -1.75 -0.22 0.00 -0.26 0.00 0.00 57.72 55.48 2kfw n HIS 151 Cb 0.53 -0.11 -0.14 0.00 1.12 0.00 0.00 29.99 31.38 2kfw n HIS 151 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2kfw s VAL 152 N -2.43 1.22 0.00 1.59 -7.23 -1.26 -4.36 120.40 107.93 2kfw s VAL 152 Ca 0.08 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2kfw s VAL 152 Cb 0.00 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.89 2kfw s VAL 152 CO 0.05 0.22 0.00 1.41 -0.31 0.00 0.00 175.10 176.47 2kfw n HIS 153 N 2.35 0.00 -4.14 2.82 8.25 -1.26 -4.55 115.22 118.69 2kfw n HIS 153 Ca -0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 2kfw n HIS 153 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 2kfw n HIS 153 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kfw s GLY 154 N 0.00 1.91 -0.05 -1.41 0.00 -1.26 -4.92 107.32 101.60 2kfw s GLY 154 Ca 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.67 2kfw s GLY 154 CO 0.00 -1.09 1.02 0.00 0.00 0.00 0.00 173.10 173.03 2kfw n ALA 155 N 0.60 2.03 0.37 3.20 0.00 -1.26 -4.67 120.51 120.78 2kfw n ALA 155 Ca -0.11 -1.54 0.13 0.00 0.00 0.00 0.00 53.44 51.92 2kfw n ALA 155 Cb 0.52 -0.15 0.53 0.00 0.00 0.00 0.00 19.45 20.35 2kfw n ALA 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kfw h HIS 156 N 0.00 0.00 0.43 0.00 3.86 -1.96 -3.22 115.15 114.26 2kfw h HIS 156 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2kfw h HIS 156 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2kfw h HIS 156 CO 0.00 0.00 -0.20 0.22 0.86 0.00 0.00 177.93 178.81 2kfw h ASP 157 N 0.00 -0.49 -3.62 2.45 3.58 -2.01 -3.49 116.42 112.85 2kfw h ASP 157 Ca 0.00 0.02 0.32 0.00 0.42 0.00 0.00 57.03 57.78 2kfw h ASP 157 Cb 0.36 0.13 -0.15 0.00 1.72 0.00 0.00 39.33 41.38 2kfw h ASP 157 CO 0.00 -0.09 -1.00 1.57 -2.88 0.00 0.00 179.24 176.84 2kfw n HIS 158 N -4.99 -3.38 -2.74 0.28 -0.00 -1.22 -5.08 115.22 98.10 2kfw n HIS 158 Ca -0.07 1.83 0.00 0.00 -0.00 0.00 0.00 57.72 59.48 2kfw n HIS 158 Cb 0.23 -3.07 0.00 0.00 -0.00 0.00 0.00 29.99 27.14 2kfw n HIS 158 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kfw n HIS 159 N -4.08 -0.06 -4.16 1.57 1.44 -1.26 -5.18 115.22 103.49 2kfw n HIS 159 Ca -0.06 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.55 2kfw n HIS 159 Cb 0.60 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.61 2kfw n HIS 159 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kfw s HIS 160 N -2.75 0.89 0.02 -1.40 -3.43 -1.26 -5.17 115.29 102.20 2kfw s HIS 160 Ca 0.00 -1.19 0.03 0.00 -0.80 0.00 0.00 55.06 53.09 2kfw s HIS 160 Cb 0.00 -0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 30.63 2kfw s HIS 160 CO 0.00 -0.46 -0.08 -0.51 -2.00 0.00 0.00 174.74 171.68 2kfw s ASP 161 N -3.06 0.95 0.00 7.38 1.01 -1.26 -4.97 116.67 116.72 2kfw s ASP 161 Ca 0.23 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.13 2kfw s ASP 161 Cb 0.07 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.97 2kfw s ASP 161 CO 0.01 -0.05 0.00 1.57 0.21 0.00 0.00 175.17 176.91 2kfw n HIS 162 N 2.12 0.00 -2.63 4.23 -0.00 -1.26 -5.00 115.22 112.68 2kfw n HIS 162 Ca -0.18 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.83 2kfw n HIS 162 Cb 0.56 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.44 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfw n ASP 163 N 0.00 -5.10 -3.24 0.26 8.00 -1.26 -3.65 116.55 111.56 2kfw n ASP 163 Ca 0.00 -0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 2kfw n ASP 163 Cb 0.00 -4.05 0.01 0.00 -0.02 0.00 0.00 41.12 37.06 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kfw n HIS 164 N -4.16 -2.91 -4.22 1.24 8.25 -1.26 -5.02 115.22 107.14 2kfw n HIS 164 Ca -0.14 1.17 -0.17 0.00 -0.26 0.00 0.00 57.72 58.33 2kfw n HIS 164 Cb 0.62 -3.28 -0.08 0.00 1.12 0.00 0.00 29.99 28.38 2kfw n HIS 164 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kfw s ASP 165 N -2.49 1.17 -0.41 0.41 2.15 -1.24 -5.10 116.67 111.16 2kfw s ASP 165 Ca 0.18 -1.61 0.09 0.00 0.43 0.00 0.00 52.55 51.64 2kfw s ASP 165 Cb -0.03 0.54 0.35 0.00 -0.30 0.00 0.00 42.92 43.48 2kfw s ASP 165 CO 0.82 -1.06 1.04 0.61 -0.17 0.00 0.00 175.17 176.41 2kfw n GLY 166 N -0.53 1.61 3.00 2.66 0.00 -1.26 -5.03 105.19 105.63 2kfw n GLY 166 Ca 0.05 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 1.60 0.30 1.31 0.00 0.00 -1.26 -4.98 105.19 102.17 2kfw n GLY 169 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.80 2kfw n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 170 N -0.96 2.25 3.39 -0.02 0.00 -1.26 -4.77 105.19 103.83 2kfw n GLY 170 Ca 0.00 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.78 2kfw n GLY 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 171 N -1.15 3.47 -1.23 1.61 5.04 -1.26 -4.93 115.29 116.85 2kfw s HIS 171 Ca 0.47 -1.74 -0.06 0.00 -1.54 0.00 0.00 55.06 52.18 2kfw s HIS 171 Cb 0.25 -4.05 0.20 0.00 0.04 0.00 0.00 32.58 29.02 2kfw s HIS 171 CO 0.33 -1.23 1.92 0.41 -2.34 0.00 0.00 174.74 173.83 2kfw n GLY 172 N 4.65 5.10 2.56 1.59 0.00 -1.26 -4.67 105.19 113.16 2kfw n GLY 172 Ca 0.20 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 2.42 -2.32 -4.14 1.61 -0.00 -1.26 -5.14 115.22 106.39 2kfw n HIS 173 Ca 0.43 -2.39 -0.12 0.00 -0.00 0.00 0.00 57.72 55.65 2kfw n HIS 173 Cb 0.32 0.94 -0.08 0.00 -0.00 0.00 0.00 29.99 31.16 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2kfw s ASP 174 N -1.54 0.17 1.06 0.26 1.11 -1.26 -5.15 116.67 111.32 2kfw s ASP 174 Ca 0.32 -1.28 -0.15 0.00 0.18 0.00 0.00 52.55 51.62 2kfw s ASP 174 Cb 0.22 0.45 0.18 0.00 1.07 0.00 0.00 42.92 44.84 2kfw s ASP 174 CO -0.19 -0.95 0.31 1.41 1.18 0.00 0.00 175.17 176.94 2kfw n HIS 175 N -0.33 -2.34 -5.02 4.23 8.25 -1.26 -5.00 115.22 113.75 2kfw n HIS 175 Ca 0.01 -0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.13 2kfw n HIS 175 Cb 0.65 -1.40 -0.15 0.00 1.12 0.00 0.00 29.99 30.20 2kfw n HIS 175 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kfw s GLY 176 N -2.04 1.17 0.00 -1.41 0.00 -1.26 -5.14 107.32 98.64 2kfw s GLY 176 Ca 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2kfw s GLY 176 CO 0.40 -0.91 0.00 -2.39 0.00 0.00 0.00 173.10 170.20 2kfw n HIS 177 N 2.27 0.00 -2.99 1.90 1.44 -1.26 -4.92 115.22 111.67 2kfw n HIS 177 Ca -0.16 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.42 2kfw n HIS 177 Cb 0.52 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.69 2kfw n HIS 177 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2kfw n GLU 178 N 0.00 -2.60 -0.10 -1.40 1.02 -1.26 -4.76 120.64 111.54 2kfw n GLU 178 Ca 0.00 0.71 0.01 0.00 -0.02 0.00 0.00 57.16 57.86 2kfw n GLU 178 Cb 0.00 -5.11 -0.00 0.00 -0.02 0.00 0.00 31.44 26.31 2kfw n GLU 178 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kfw n HIS 179 N -3.06 -1.59 0.00 -0.32 8.25 -1.26 -5.00 115.22 112.24 2kfw n HIS 179 Ca -0.10 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2kfw n HIS 179 Cb 0.61 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 180 N -0.38 -1.63 0.00 -1.41 0.00 -1.26 -5.00 105.19 95.51 2kfw n GLY 180 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 0.00 -0.02 0.00 -1.26 -5.16 105.19 98.75 2kfw n GLY 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 181 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kfw n GLU 182 N 0.00 0.00 0.00 1.61 0.28 -1.26 -5.04 120.64 116.23 2kfw n GLU 182 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kfw n GLU 182 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfw n GLY 183 N 0.00 0.36 3.05 -1.84 0.00 -1.26 -5.14 105.19 100.36 2kfw n GLY 183 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2kfw n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 186 N 1.35 0.63 0.00 0.00 0.00 -1.26 -5.11 105.19 100.80 2kfw n GLY 186 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 2.58 0.36 -0.02 0.00 -1.26 -4.92 105.19 101.93 2kfw n GLY 187 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 2kfw n GLY 187 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kfw h LYS 188 N 0.00 -0.87 0.00 1.61 3.64 -2.04 -3.46 116.57 115.45 2kfw h LYS 188 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2kfw h LYS 188 Cb 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kfw h LYS 188 CO 0.00 -0.58 0.00 0.41 -2.27 0.00 0.00 179.45 177.01 2kfw n GLY 189 N -0.92 -1.81 3.28 5.01 0.00 -1.26 -5.07 105.19 104.41 2kfw n GLY 189 Ca -0.11 0.77 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 2kfw n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 190 N 0.00 2.79 1.09 1.61 -0.87 -1.26 -4.98 114.94 113.32 2kfw s ASN 190 Ca 0.00 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 2kfw s ASN 190 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2kfw s ASN 190 CO 0.00 0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.42 2kfw n GLY 191 N 2.37 0.81 6.56 0.66 0.00 -1.26 -4.90 105.19 109.44 2kfw n GLY 191 Ca -0.16 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 0.00 0.33 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.25 2kfw n GLY 192 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.07 3.56 0.00 0.00 -1.26 -5.00 105.19 102.56 2kfw n GLY 194 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32