#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 1.21 0.69 3.17 -0.14 -1.26 -4.54 119.74 118.86 2kfw s LYS 2 Ca 0.00 -1.27 -0.17 0.00 -1.36 0.00 0.00 55.97 53.18 2kfw s LYS 2 Cb 0.00 -1.43 -0.05 0.00 -1.68 0.00 0.00 37.83 34.67 2kfw s LYS 2 CO 0.00 0.32 0.55 1.55 -0.76 0.00 0.00 175.35 177.01 2kfw n VAL 3 N 0.79 1.98 -3.83 3.17 3.14 -1.26 -4.81 118.33 117.51 2kfw n VAL 3 Ca -0.17 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2kfw n VAL 3 Cb 0.55 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 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 -2.23 -0.94 -0.69 1.55 0.00 -1.26 -4.28 120.51 112.66 2kfw n ALA 4 Ca 0.11 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 2kfw n ALA 4 Cb 0.49 0.06 0.17 0.00 0.00 0.00 0.00 19.45 20.18 2kfw n ALA 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kfw s LYS 5 N -2.01 0.86 -1.32 0.00 2.20 -1.26 -2.24 119.74 115.98 2kfw s LYS 5 Ca 0.08 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2kfw s LYS 5 Cb -0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2kfw s LYS 5 CO 0.00 -2.71 0.00 -3.47 -0.36 0.00 0.00 175.35 168.81 2kfw n ASP 6 N -4.29 -4.98 -3.80 1.43 -0.08 -1.26 -4.86 116.55 98.71 2kfw n ASP 6 Ca 0.11 0.31 -0.30 0.00 -1.51 0.00 0.00 54.79 53.40 2kfw n ASP 6 Cb 0.52 -3.94 -0.15 0.00 2.34 0.00 0.00 41.12 39.89 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2kfw s LEU 7 N -2.99 2.97 0.06 -2.67 2.01 -0.95 -3.08 118.68 114.02 2kfw s LEU 7 Ca 0.00 -2.01 -0.32 0.00 0.01 0.00 0.00 54.13 51.80 2kfw s LEU 7 Cb 0.00 -1.10 -0.11 0.00 0.01 0.00 0.00 46.19 44.99 2kfw s LEU 7 CO 0.00 -0.37 1.85 0.55 1.01 0.00 0.00 176.35 179.39 2kfw n VAL 8 N 4.37 0.46 -3.95 -1.59 3.14 0.63 -4.27 118.33 117.12 2kfw n VAL 8 Ca 0.02 -0.08 -0.29 0.00 -2.96 0.00 0.00 64.34 61.03 2kfw n VAL 8 Cb 0.40 -2.03 -0.16 0.00 -1.06 0.00 0.00 33.84 30.99 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 3.19 1.35 -0.34 1.55 0.11 -0.77 -0.80 120.40 124.71 2kfw s VAL 9 Ca 0.86 -0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 2kfw s VAL 9 Cb -0.55 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2kfw s VAL 9 CO 0.42 0.27 0.49 -0.44 -3.33 0.00 0.00 175.10 172.51 2kfw s SER 10 N 1.55 6.31 -0.10 3.54 0.01 -1.14 -3.11 113.70 120.74 2kfw s SER 10 Ca 0.02 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 2kfw s SER 10 Cb -0.14 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2kfw s SER 10 CO -0.09 -0.43 0.04 -1.48 0.41 0.00 0.00 173.24 171.70 2kfw s LEU 11 N 2.32 0.48 0.59 2.44 2.34 -0.96 0.12 118.68 126.00 2kfw s LEU 11 Ca 0.18 -0.26 -0.15 0.00 0.06 0.00 0.00 54.13 53.96 2kfw s LEU 11 Cb -0.16 -0.32 -0.05 0.00 -0.56 0.00 0.00 46.19 45.11 2kfw s LEU 11 CO 0.13 -0.26 1.03 0.00 -1.06 0.00 0.00 176.35 176.18 2kfw s ALA 12 N 2.06 2.90 -0.22 1.48 0.00 -1.04 -3.51 121.76 123.43 2kfw s ALA 12 Ca 0.03 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2kfw s ALA 12 Cb -0.14 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2kfw s ALA 12 CO -0.06 -0.65 0.58 1.52 0.00 0.00 0.00 175.76 177.16 2kfw s TYR 13 N -2.72 -0.71 -0.03 0.00 -0.85 -1.12 -1.27 117.35 110.65 2kfw s TYR 13 Ca 0.60 1.64 -0.15 0.00 -0.52 0.00 0.00 57.07 58.63 2kfw s TYR 13 Cb -0.13 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 2kfw s TYR 13 CO 0.40 -0.35 0.42 -0.65 -1.52 0.00 0.00 175.55 173.85 2kfw s GLN 14 N 0.66 4.03 -0.01 -3.49 -1.52 -0.99 -0.80 119.66 117.54 2kfw s GLN 14 Ca -0.03 0.41 0.03 0.00 -1.95 0.00 0.00 55.36 53.82 2kfw s GLN 14 Cb -0.05 -3.28 -0.03 0.00 -0.22 0.00 0.00 33.01 29.43 2kfw s GLN 14 CO -0.04 0.56 -0.08 0.08 -0.25 0.00 0.00 175.29 175.56 2kfw s VAL 15 N -0.64 3.59 -0.27 1.09 1.01 0.47 -2.15 120.40 123.49 2kfw s VAL 15 Ca 0.24 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2kfw s VAL 15 Cb -0.16 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.76 2kfw s VAL 15 CO 0.12 0.43 0.75 0.00 0.00 0.00 0.00 175.10 176.40 2kfw s ARG 16 N -1.31 0.78 0.10 2.72 1.70 -0.70 -3.90 118.95 118.34 2kfw s ARG 16 Ca 0.16 0.99 0.02 0.00 -0.47 0.00 0.00 55.73 56.43 2kfw s ARG 16 Cb -0.11 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2kfw s ARG 16 CO 0.06 -0.10 0.17 0.95 -1.08 0.00 0.00 175.30 175.30 2kfw s THR 17 N 0.58 4.97 0.39 4.99 -4.23 0.56 -3.07 115.64 119.82 2kfw s THR 17 Ca -0.01 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 59.96 2kfw s THR 17 Cb -0.05 -3.46 0.35 0.00 1.34 0.00 0.00 72.50 70.68 2kfw s THR 17 CO -0.03 0.05 1.84 -0.33 -0.54 0.00 0.00 174.62 175.61 2kfw h GLU 18 N 2.85 0.51 0.00 3.99 5.08 -1.89 0.47 114.58 125.58 2kfw h GLU 18 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2kfw h GLU 18 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kfw h GLU 18 CO 0.69 0.34 0.03 -0.25 -1.00 0.00 0.00 179.01 178.82 2kfw n ASP 19 N -4.56 0.32 -0.15 1.42 8.00 -1.26 -4.77 116.55 115.55 2kfw n ASP 19 Ca 0.20 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.33 2kfw n ASP 19 Cb 0.63 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.37 1.03 3.38 0.44 0.00 0.16 -5.10 105.19 103.73 2kfw n GLY 20 Ca -0.01 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.30 2.16 -0.31 1.61 1.01 -1.18 -4.92 120.40 116.47 2kfw s VAL 21 Ca 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.10 2kfw s VAL 21 Cb 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2kfw s VAL 21 CO 0.00 -0.03 0.08 -0.76 0.00 0.00 0.00 175.10 174.39 2kfw s LEU 22 N -2.26 4.01 0.26 3.92 2.01 -1.26 -0.32 118.68 125.03 2kfw s LEU 22 Ca 0.15 -0.91 0.21 0.00 0.01 0.00 0.00 54.13 53.59 2kfw s LEU 22 Cb -0.09 -1.86 0.08 0.00 0.01 0.00 0.00 46.19 44.33 2kfw s LEU 22 CO 0.07 -0.25 1.22 0.58 1.01 0.00 0.00 176.35 178.98 2kfw h VAL 23 N 6.02 0.20 0.00 -1.59 2.07 -1.94 -3.49 116.25 117.52 2kfw h VAL 23 Ca -0.28 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2kfw h VAL 23 Cb 1.11 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2kfw h VAL 23 CO 0.60 0.11 0.00 -0.67 0.02 0.00 0.00 177.57 177.63 2kfw n ASP 24 N -2.90 0.00 -3.56 0.57 -0.08 -1.26 -5.02 116.55 104.30 2kfw n ASP 24 Ca -0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2kfw n ASP 24 Cb 0.62 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.97 2kfw n ASP 24 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2kfw s GLU 25 N -2.00 0.25 -0.33 -0.67 2.02 -1.26 0.18 118.70 116.88 2kfw s GLU 25 Ca 0.00 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.57 2kfw s GLU 25 Cb 0.00 -0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.01 2kfw s GLU 25 CO 0.00 -0.42 0.19 -1.54 0.02 0.00 0.00 175.26 173.51 2kfw s SER 26 N 2.49 5.74 0.84 -0.19 1.04 0.01 -4.94 113.70 118.69 2kfw s SER 26 Ca 0.04 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 2kfw s SER 26 Cb -0.13 -2.05 0.09 0.00 0.10 0.00 0.00 66.02 64.03 2kfw s SER 26 CO -0.12 -0.25 1.09 -2.16 0.98 0.00 0.00 173.24 172.79 2kfw s PRO 27 N 1.64 1.75 0.44 4.02 0.04 -1.26 -2.81 135.00 138.82 2kfw s PRO 27 Ca 0.05 0.73 0.22 0.00 0.04 0.00 0.00 61.00 62.03 2kfw s PRO 27 Cb -0.18 -1.87 1.00 0.00 0.04 0.00 0.00 34.50 33.49 2kfw s PRO 27 CO 0.08 -1.87 1.88 -0.39 0.04 0.00 0.00 177.00 176.73 2kfw h VAL 28 N -1.28 0.75 0.00 -0.36 -1.51 -1.98 -2.18 116.25 109.69 2kfw h VAL 28 Ca -0.48 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 2kfw h VAL 28 Cb 1.27 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2kfw h VAL 28 CO 0.57 0.25 0.00 -1.54 -1.23 0.00 0.00 177.57 175.62 2kfw n SER 29 N -3.61 0.00 -2.79 4.19 3.41 -1.26 -4.00 113.62 109.55 2kfw n SER 29 Ca -0.01 -0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.08 2kfw n SER 29 Cb 0.39 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.10 -1.18 -1.40 7.33 0.00 -0.82 -5.14 120.51 118.19 2kfw n ALA 30 Ca 0.14 -1.49 -0.30 0.00 0.00 0.00 0.00 53.44 51.79 2kfw n ALA 30 Cb 0.10 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 0.60 1.81 -0.45 0.00 0.04 -1.22 -4.30 135.00 131.48 2kfw s PRO 31 Ca 0.32 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 2kfw s PRO 31 Cb 0.17 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.87 2kfw s PRO 31 CO -0.20 -1.84 0.50 -1.17 0.04 0.00 0.00 177.00 174.33 2kfw s LEU 32 N -5.95 4.89 -0.14 -3.56 2.96 -1.23 -4.75 118.68 110.90 2kfw s LEU 32 Ca 0.62 -0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 2kfw s LEU 32 Cb -0.16 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2kfw s LEU 32 CO 0.55 -0.68 0.51 1.51 -1.32 0.00 0.00 176.35 176.92 2kfw s ASP 33 N 2.08 6.67 0.22 3.68 1.47 -1.26 -2.26 116.67 127.27 2kfw s ASP 33 Ca 0.14 0.80 -0.23 0.00 1.18 0.00 0.00 52.55 54.44 2kfw s ASP 33 Cb -0.18 -2.30 0.04 0.00 -0.34 0.00 0.00 42.92 40.15 2kfw s ASP 33 CO 0.14 -0.07 0.76 -0.31 0.68 0.00 0.00 175.17 176.37 2kfw s TYR 34 N 0.96 -0.24 0.91 2.11 2.02 -1.18 -4.91 117.35 117.01 2kfw s TYR 34 Ca 0.26 -0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 2kfw s TYR 34 Cb -0.15 0.66 0.14 0.00 -0.40 0.00 0.00 41.96 42.21 2kfw s TYR 34 CO 0.11 -1.06 1.11 -0.51 -1.57 0.00 0.00 175.55 173.63 2kfw s LEU 35 N -2.87 2.03 -0.33 -1.29 1.02 -1.26 -1.84 118.68 114.13 2kfw s LEU 35 Ca 0.09 1.17 -0.14 0.00 0.02 0.00 0.00 54.13 55.27 2kfw s LEU 35 Cb -0.04 -3.52 -0.02 0.00 0.02 0.00 0.00 46.19 42.63 2kfw s LEU 35 CO 0.02 -2.64 0.32 -2.28 0.02 0.00 0.00 176.35 171.79 2kfw s HIS 36 N -3.11 3.22 0.00 0.29 2.46 -1.26 -4.30 115.29 112.59 2kfw s HIS 36 Ca 0.64 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.14 2kfw s HIS 36 Cb -0.16 -2.59 0.00 0.00 -0.13 0.00 0.00 32.58 29.70 2kfw s HIS 36 CO 0.55 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.86 2kfw n GLY 37 N 4.98 2.39 2.70 1.59 0.00 -1.26 -4.16 105.19 111.43 2kfw n GLY 37 Ca -0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N -0.95 1.94 0.01 1.61 0.00 -1.26 -4.88 115.29 111.76 2kfw s HIS 38 Ca 0.00 -2.41 0.00 0.00 -3.00 0.00 0.00 55.06 49.65 2kfw s HIS 38 Cb 0.00 -1.84 0.00 0.00 -4.00 0.00 0.00 32.58 26.74 2kfw s HIS 38 CO 0.00 -0.78 0.00 0.41 -1.00 0.00 0.00 174.74 173.37 2kfw n GLY 39 N 3.51 -1.92 0.00 -1.38 0.00 -1.26 -4.19 105.19 99.96 2kfw n GLY 39 Ca 0.10 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfw n SER 40 N -2.05 0.00 -3.68 1.61 2.88 -1.26 -4.90 113.62 106.22 2kfw n SER 40 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2kfw n SER 40 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2kfw n SER 40 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kfw s LEU 41 N 0.00 -0.02 1.00 2.46 1.43 -1.26 -5.04 118.68 117.24 2kfw s LEU 41 Ca 0.00 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 2kfw s LEU 41 Cb 0.00 0.45 -0.13 0.00 0.03 0.00 0.00 46.19 46.54 2kfw s LEU 41 CO 0.00 -0.23 -0.72 2.30 0.23 0.00 0.00 176.35 177.93 2kfw n ILE 42 N 5.13 0.00 -0.02 -0.59 -5.35 -1.26 -4.68 119.36 112.59 2kfw n ILE 42 Ca -0.09 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 2kfw n ILE 42 Cb 0.50 -0.09 0.03 0.00 -1.74 0.00 0.00 39.64 38.34 2kfw n ILE 42 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kfw h SER 43 N -1.09 0.72 -0.06 7.28 0.02 -1.86 -2.79 113.55 115.78 2kfw h SER 43 Ca -0.44 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.14 2kfw h SER 43 Cb 1.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2kfw h SER 43 CO 0.25 1.12 -0.02 1.23 -1.14 0.00 0.00 176.83 178.27 2kfw h GLY 44 N 0.96 0.04 1.08 -3.77 0.00 -1.80 -2.30 103.07 97.28 2kfw h GLY 44 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2kfw h GLY 44 CO 0.11 -0.02 0.62 -2.00 0.00 0.00 0.00 176.54 175.25 2kfw h LEU 45 N -0.01 1.08 -0.06 3.11 5.85 -1.83 -2.11 115.31 121.35 2kfw h LEU 45 Ca 0.03 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2kfw h LEU 45 Cb 0.05 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 2kfw h LEU 45 CO -0.06 0.78 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.02 2kfw h GLU 46 N 1.28 -0.56 -0.67 1.25 4.39 -1.13 1.35 114.58 120.48 2kfw h GLU 46 Ca 0.34 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 2kfw h GLU 46 Cb -0.15 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2kfw h GLU 46 CO -0.07 -0.38 0.35 1.15 -1.16 0.00 0.00 179.01 178.90 2kfw h THR 47 N -0.59 1.21 0.00 1.13 2.02 -1.33 -0.45 112.91 114.91 2kfw h THR 47 Ca 0.04 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2kfw h THR 47 Cb 0.68 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2kfw h THR 47 CO -0.37 0.24 -0.28 0.00 0.37 0.00 0.00 175.52 175.48 2kfw h ALA 48 N 1.44 0.97 0.00 6.16 0.00 -0.51 -3.07 119.26 124.25 2kfw h ALA 48 Ca 0.24 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2kfw h ALA 48 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2kfw h ALA 48 CO -0.04 0.35 -1.26 1.25 0.00 0.00 0.00 179.25 179.56 2kfw h LEU 49 N 0.00 0.00 -9.64 0.00 5.85 0.27 -3.46 115.31 108.33 2kfw h LEU 49 Ca -0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.19 2kfw h LEU 49 Cb 0.86 0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.93 2kfw h LEU 49 CO 0.04 0.92 0.86 -0.70 -0.34 0.00 0.00 178.44 179.22 2kfw s GLU 50 N -2.71 4.22 0.00 1.25 2.12 -0.27 -3.42 118.70 119.89 2kfw s GLU 50 Ca -0.01 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.68 2kfw s GLU 50 Cb 0.09 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2kfw s GLU 50 CO 0.81 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 2kfw n GLY 51 N 3.40 0.61 2.71 -1.50 0.00 -1.26 -4.97 105.19 104.20 2kfw n GLY 51 Ca 0.12 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2kfw n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 52 N -2.22 -0.29 0.00 1.61 3.76 -1.22 -4.98 115.29 111.95 2kfw s HIS 52 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2kfw s HIS 52 Cb 0.00 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.15 2kfw s HIS 52 CO 0.00 -0.91 0.00 0.39 -0.85 0.00 0.00 174.74 173.37 2kfw n GLU 53 N 5.17 -0.31 -2.71 1.40 1.02 -1.26 -4.28 120.64 119.68 2kfw n GLU 53 Ca -0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 2kfw n GLU 53 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 2kfw n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kfw s VAL 54 N -0.56 4.74 0.00 2.62 1.01 -1.26 -3.26 120.40 123.69 2kfw s VAL 54 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2kfw s VAL 54 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2kfw s VAL 54 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2kfw n GLY 55 N 3.32 0.89 3.77 4.51 0.00 -1.06 -5.01 105.19 111.60 2kfw n GLY 55 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.72 6.74 0.00 1.61 2.15 -1.20 -4.78 116.67 119.47 2kfw s ASP 56 Ca 0.00 2.71 0.01 0.00 0.43 0.00 0.00 52.55 55.70 2kfw s ASP 56 Cb 0.00 -2.65 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2kfw s ASP 56 CO 0.00 -0.57 -0.03 -0.75 -0.17 0.00 0.00 175.17 173.65 2kfw s LYS 57 N -1.70 0.27 -0.05 4.34 2.36 -1.26 -0.34 119.74 123.36 2kfw s LYS 57 Ca 0.50 -0.18 -0.30 0.00 -2.55 0.00 0.00 55.97 53.44 2kfw s LYS 57 Cb -0.40 -0.23 0.10 0.00 -1.05 0.00 0.00 37.83 36.25 2kfw s LYS 57 CO 0.53 0.06 1.32 -0.59 1.55 0.00 0.00 175.35 178.22 2kfw s PHE 58 N -0.23 0.01 -0.01 4.03 -0.71 -0.62 -5.01 117.98 115.45 2kfw s PHE 58 Ca -0.00 -0.09 -0.05 0.00 -1.04 0.00 0.00 56.93 55.76 2kfw s PHE 58 Cb -0.02 0.54 -0.00 0.00 -1.21 0.00 0.00 43.02 42.32 2kfw s PHE 58 CO -0.00 -0.17 0.09 0.16 -1.34 0.00 0.00 175.22 173.96 2kfw s ASP 59 N -3.81 0.04 -0.19 1.98 -4.77 -1.26 0.46 116.67 109.12 2kfw s ASP 59 Ca 0.30 -0.15 -0.12 0.00 -3.30 0.00 0.00 52.55 49.27 2kfw s ASP 59 Cb 0.00 0.19 0.06 0.00 -1.09 0.00 0.00 42.92 42.08 2kfw s ASP 59 CO -0.02 -0.26 0.47 -0.69 0.70 0.00 0.00 175.17 175.38 2kfw s VAL 60 N -0.98 -0.01 -0.39 2.11 1.01 -1.18 -4.97 120.40 115.98 2kfw s VAL 60 Ca -0.11 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2kfw s VAL 60 Cb -0.06 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2kfw s VAL 60 CO 0.01 0.02 0.91 0.00 0.00 0.00 0.00 175.10 176.04 2kfw s ALA 61 N 1.14 3.37 -0.20 5.51 0.00 -1.26 -4.02 121.76 126.31 2kfw s ALA 61 Ca -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2kfw s ALA 61 Cb -0.07 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.60 2kfw s ALA 61 CO -0.10 -1.68 0.18 0.08 0.00 0.00 0.00 175.76 174.23 2kfw s VAL 62 N 3.49 -0.24 0.00 0.00 1.01 -0.81 -4.92 120.40 118.92 2kfw s VAL 62 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2kfw s VAL 62 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2kfw s VAL 62 CO 0.20 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2kfw n GLY 63 N 5.30 -0.58 0.28 4.51 0.00 -1.26 -4.30 105.19 109.14 2kfw n GLY 63 Ca -0.06 0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 0.35 1.00 0.06 4.61 0.00 -1.90 -1.65 119.26 121.74 2kfw h ALA 64 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2kfw h ALA 64 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kfw h ALA 64 CO 0.00 0.00 -1.20 -0.91 0.00 0.00 0.00 179.25 177.14 2kfw h ASN 65 N 0.00 0.21 0.00 0.00 2.35 -1.94 -3.34 115.58 112.85 2kfw h ASN 65 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2kfw h ASN 65 Cb 0.33 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2kfw h ASN 65 CO 0.00 1.19 0.00 0.47 -1.65 0.00 0.00 177.43 177.44 2kfw n ASP 66 N -3.41 0.00 0.00 5.81 8.00 -0.95 -4.99 116.55 121.01 2kfw n ASP 66 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2kfw n ASP 66 Cb 0.99 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 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 0.05 0.85 2.24 0.00 -0.66 -2.39 120.51 120.59 2kfw n ALA 67 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2kfw n ALA 67 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N -1.07 0.32 -0.35 0.00 4.02 -1.19 -4.75 117.16 114.15 2kfw n TYR 68 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2kfw n TYR 68 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.72 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kfw n GLY 69 N 1.43 -0.81 3.14 2.72 0.00 -1.24 -4.56 105.19 105.88 2kfw n GLY 69 Ca 0.06 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2kfw n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfw n GLN 70 N 0.06 -0.94 -2.35 1.61 0.00 -1.26 -4.49 117.38 110.03 2kfw n GLN 70 Ca 0.00 -0.27 -0.42 0.00 -0.00 0.00 0.00 57.00 56.31 2kfw n GLN 70 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 2kfw n GLN 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2kfw s TYR 71 N -2.12 3.33 -0.30 3.69 6.14 -1.26 -4.59 117.35 122.24 2kfw s TYR 71 Ca 0.46 1.17 0.02 0.00 0.64 0.00 0.00 57.07 59.37 2kfw s TYR 71 Cb -0.01 -3.50 0.08 0.00 0.42 0.00 0.00 41.96 38.94 2kfw s TYR 71 CO 0.64 -1.65 0.01 0.34 0.64 0.00 0.00 175.55 175.53 2kfw s ASP 72 N 1.16 4.39 0.42 4.32 2.15 -1.26 -4.88 116.67 122.97 2kfw s ASP 72 Ca 0.60 -1.72 0.30 0.00 0.43 0.00 0.00 52.55 52.16 2kfw s ASP 72 Cb -0.31 -1.39 1.38 0.00 -0.30 0.00 0.00 42.92 42.30 2kfw s ASP 72 CO 0.29 -0.32 1.89 -0.33 -0.17 0.00 0.00 175.17 176.53 2kfw h GLU 73 N 7.79 0.00 0.00 4.34 5.08 -1.96 -1.53 114.58 128.31 2kfw h GLU 73 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kfw h GLU 73 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2kfw h GLU 73 CO 0.48 0.00 -0.13 0.09 -1.00 0.00 0.00 179.01 178.45 2kfw n ASN 74 N -2.62 0.16 -0.05 1.42 3.02 -1.26 -3.87 115.26 112.06 2kfw n ASN 74 Ca 0.00 0.32 -0.21 0.00 -0.03 0.00 0.00 54.58 54.66 2kfw n ASN 74 Cb 0.18 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 2kfw n ASN 74 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2kfw h LEU 75 N 0.00 0.18 -9.29 3.41 5.85 -1.70 -3.45 115.31 110.32 2kfw h LEU 75 Ca 0.00 -0.71 -0.60 0.00 0.84 0.00 0.00 57.88 57.41 2kfw h LEU 75 Cb 0.51 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.50 2kfw h LEU 75 CO 0.00 1.58 1.14 1.33 -0.34 0.00 0.00 178.44 182.15 2kfw n VAL 76 N -4.11 0.63 -4.48 1.05 0.24 -1.23 -4.68 118.33 105.75 2kfw n VAL 76 Ca -0.29 -0.12 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 2kfw n VAL 76 Cb 0.81 -1.99 -0.16 0.00 -1.47 0.00 0.00 33.84 31.02 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2kfw s GLN 77 N 4.24 1.36 -0.27 7.34 -1.52 -1.15 -5.03 119.66 124.63 2kfw s GLN 77 Ca 0.92 -0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 53.88 2kfw s GLN 77 Cb -0.63 -1.18 -0.05 0.00 -0.22 0.00 0.00 33.01 30.93 2kfw s GLN 77 CO 0.49 0.04 0.19 1.03 -0.25 0.00 0.00 175.29 176.80 2kfw s ARG 78 N 0.55 3.99 -0.10 2.91 0.52 -1.26 -2.43 118.95 123.13 2kfw s ARG 78 Ca -0.11 -0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2kfw s ARG 78 Cb -0.14 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 31.75 2kfw s ARG 78 CO 0.02 -0.12 0.22 0.08 0.02 0.00 0.00 175.30 175.52 2kfw s VAL 79 N 1.59 -0.09 0.89 3.52 1.01 0.09 -4.98 120.40 122.43 2kfw s VAL 79 Ca 0.08 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2kfw s VAL 79 Cb -0.15 -0.35 0.12 0.00 0.00 0.00 0.00 36.38 36.00 2kfw s VAL 79 CO 0.09 0.07 1.11 -2.16 0.00 0.00 0.00 175.10 174.22 2kfw s PRO 80 N 1.40 1.35 0.34 2.72 0.04 -1.26 -2.94 135.00 136.65 2kfw s PRO 80 Ca -0.08 0.52 0.21 0.00 0.04 0.00 0.00 61.00 61.69 2kfw s PRO 80 Cb -0.11 -1.84 1.14 0.00 0.04 0.00 0.00 34.50 33.73 2kfw s PRO 80 CO -0.08 -2.10 1.62 1.57 0.04 0.00 0.00 177.00 178.05 2kfw h LYS 81 N -1.44 0.00 0.00 4.56 5.09 -1.92 -1.63 116.57 121.24 2kfw h LYS 81 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 2kfw h LYS 81 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.63 2kfw h LYS 81 CO 0.59 0.00 0.10 0.22 -2.09 0.00 0.00 179.45 178.27 2kfw h ASP 82 N 0.00 0.00 0.36 7.07 3.58 -1.92 0.17 116.42 125.68 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kfw h ASP 82 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kfw h ASP 82 CO 0.00 0.00 -1.07 0.52 -2.88 0.00 0.00 179.24 175.81 2kfw n VAL 83 N -2.73 0.13 -2.95 2.25 0.31 -0.61 -4.57 118.33 110.16 2kfw n VAL 83 Ca -0.02 -0.22 -0.44 0.00 -0.01 0.00 0.00 64.34 63.65 2kfw n VAL 83 Cb 0.15 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.91 3.78 -1.55 3.52 3.72 0.60 -4.96 117.46 120.66 2kfw n PHE 84 Ca 0.02 -3.15 -0.13 0.00 -0.05 0.00 0.00 57.45 54.13 2kfw n PHE 84 Cb 0.43 -1.71 -0.09 0.00 -0.94 0.00 0.00 39.48 37.17 2kfw n PHE 84 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 2kfw n MET 85 N 3.08 0.38 0.00 -1.08 1.56 -1.26 -3.01 117.12 116.78 2kfw n MET 85 Ca 0.30 -1.07 0.00 0.00 -0.27 0.00 0.00 57.70 56.67 2kfw n MET 85 Cb 0.37 -3.61 0.00 0.00 2.15 0.00 0.00 33.22 32.13 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 6.50 2.06 2.61 -5.12 0.00 -1.26 -5.03 105.19 104.95 2kfw n GLY 86 Ca 0.45 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kfw n GLY 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2kfw n VAL 87 N 0.00 -2.26 0.07 1.61 3.14 -1.17 -4.66 118.33 115.08 2kfw n VAL 87 Ca 0.00 0.13 0.21 0.00 -2.96 0.00 0.00 64.34 61.72 2kfw n VAL 87 Cb 0.00 -2.29 0.70 0.00 -1.06 0.00 0.00 33.84 31.20 2kfw n VAL 87 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2kfw h ASP 88 N 1.81 0.00 0.00 6.55 5.19 -1.96 -3.40 116.42 124.61 2kfw h ASP 88 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2kfw h ASP 88 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2kfw h ASP 88 CO 0.11 0.00 0.00 1.21 -3.12 0.00 0.00 179.24 177.44 2kfw n GLU 89 N -3.56 0.00 -3.70 3.56 2.13 -1.26 -5.15 120.64 112.66 2kfw n GLU 89 Ca 0.09 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.55 2kfw n GLU 89 Cb 0.73 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.36 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2kfw s LEU 90 N 0.00 4.21 0.03 4.31 2.96 -1.26 -5.08 118.68 123.84 2kfw s LEU 90 Ca 0.00 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 2kfw s LEU 90 Cb 0.00 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2kfw s LEU 90 CO 0.00 0.16 0.07 -1.58 -1.32 0.00 0.00 176.35 173.68 2kfw s GLN 91 N 0.41 0.52 0.41 1.98 0.74 -1.26 -5.11 119.66 117.34 2kfw s GLN 91 Ca 0.09 -0.70 -0.26 0.00 0.05 0.00 0.00 55.36 54.54 2kfw s GLN 91 Cb -0.11 0.20 -0.09 0.00 1.10 0.00 0.00 33.01 34.11 2kfw s GLN 91 CO -0.01 -0.12 1.36 0.54 -0.55 0.00 0.00 175.29 176.51 2kfw s VAL 92 N -2.26 2.40 0.00 1.34 0.11 -1.26 -2.17 120.40 118.56 2kfw s VAL 92 Ca -0.08 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2kfw s VAL 92 Cb -0.03 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2kfw s VAL 92 CO -0.03 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2kfw n GLY 93 N 0.63 1.49 3.79 6.54 0.00 -1.26 -5.03 105.19 111.35 2kfw n GLY 93 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2kfw n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kfw s MET 94 N -0.57 4.47 0.11 1.61 0.00 -0.92 -4.95 119.30 119.04 2kfw s MET 94 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 55.69 56.61 2kfw s MET 94 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 34.83 31.66 2kfw s MET 94 CO 0.00 0.49 0.55 0.50 0.00 0.00 0.00 175.02 176.56 2kfw s ARG 95 N -1.48 4.07 0.27 4.11 3.52 -1.26 -3.37 118.95 124.80 2kfw s ARG 95 Ca 0.39 0.59 0.11 0.00 -0.13 0.00 0.00 55.73 56.69 2kfw s ARG 95 Cb -0.21 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2kfw s ARG 95 CO 0.24 0.56 -0.14 0.12 -0.81 0.00 0.00 175.30 175.27 2kfw s PHE 96 N -1.29 2.43 -0.01 5.12 5.36 -1.15 -4.94 117.98 123.50 2kfw s PHE 96 Ca 0.33 -0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.09 2kfw s PHE 96 Cb -0.17 -1.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2kfw s PHE 96 CO 0.19 0.67 -0.25 -1.17 -1.46 0.00 0.00 175.22 173.19 2kfw s LEU 97 N -3.48 2.07 -0.24 6.12 0.20 -1.26 -0.01 118.68 122.09 2kfw s LEU 97 Ca 0.30 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.60 2kfw s LEU 97 Cb -0.06 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.41 2kfw s LEU 97 CO 0.16 0.30 -0.05 0.00 -0.29 0.00 0.00 176.35 176.47 2kfw s ALA 98 N -0.64 2.76 -1.06 5.97 0.00 -0.42 -4.85 121.76 123.52 2kfw s ALA 98 Ca 0.10 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 2kfw s ALA 98 Cb -0.10 -1.71 0.25 0.00 0.00 0.00 0.00 23.12 21.56 2kfw s ALA 98 CO -0.00 -0.64 1.09 -1.21 0.00 0.00 0.00 175.76 174.99 2kfw s GLU 99 N 1.41 4.06 0.36 0.00 0.41 -1.26 -1.08 118.70 122.59 2kfw s GLU 99 Ca 0.03 -2.95 -0.07 0.00 -0.41 0.00 0.00 54.97 51.57 2kfw s GLU 99 Cb -0.15 -4.61 -0.05 0.00 -1.78 0.00 0.00 34.13 27.54 2kfw s GLU 99 CO -0.04 -1.33 0.67 0.95 -0.49 0.00 0.00 175.26 175.02 2kfw s THR 100 N -0.52 4.91 -0.08 3.63 -4.23 -1.24 -4.96 115.64 113.14 2kfw s THR 100 Ca 0.30 0.30 0.31 0.00 -1.18 0.00 0.00 61.69 61.41 2kfw s THR 100 Cb -0.09 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.35 2kfw s THR 100 CO -0.07 -0.46 1.90 0.44 -0.54 0.00 0.00 174.62 175.88 2kfw h ASP 101 N 1.33 0.00 -0.29 3.99 5.19 -2.03 -2.55 116.42 122.06 2kfw h ASP 101 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2kfw h ASP 101 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2kfw h ASP 101 CO 0.65 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.77 2kfw n GLN 102 N -2.86 2.43 0.00 3.56 10.64 -1.26 -4.94 117.38 124.95 2kfw n GLN 102 Ca 0.01 -1.37 0.00 0.00 -1.83 0.00 0.00 57.00 53.81 2kfw n GLN 102 Cb 0.30 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 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 0.56 3.83 3.71 2.61 0.00 -0.96 -5.06 105.19 109.89 2kfw n GLY 103 Ca 0.12 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -5.08 4.38 -0.07 1.61 0.04 -1.26 -3.66 135.00 130.97 2kfw s PRO 104 Ca 0.00 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2kfw s PRO 104 Cb 0.00 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.20 2kfw s PRO 104 CO 0.00 -0.35 0.06 0.08 0.04 0.00 0.00 177.00 176.83 2kfw s VAL 105 N 1.36 -0.05 0.68 -0.36 1.01 -0.24 -4.96 120.40 117.84 2kfw s VAL 105 Ca 0.60 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 2kfw s VAL 105 Cb -0.31 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2kfw s VAL 105 CO 0.28 0.10 1.07 -2.16 0.00 0.00 0.00 175.10 174.39 2kfw s PRO 106 N 2.14 2.89 0.18 2.72 0.04 -1.26 -1.30 135.00 140.42 2kfw s PRO 106 Ca 0.04 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.22 2kfw s PRO 106 Cb -0.13 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2kfw s PRO 106 CO -0.04 -1.14 0.09 1.33 0.04 0.00 0.00 177.00 177.28 2kfw n VAL 107 N -2.84 0.00 -3.74 -0.36 0.24 0.99 -4.39 118.33 108.23 2kfw n VAL 107 Ca 0.08 -1.15 -0.14 0.00 -2.04 0.00 0.00 64.34 61.10 2kfw n VAL 107 Cb 0.53 0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 33.23 2kfw n VAL 107 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kfw s GLU 108 N -2.71 0.10 0.01 7.34 -6.30 0.10 -2.91 118.70 114.32 2kfw s GLU 108 Ca 0.13 0.40 -0.30 0.00 -2.50 0.00 0.00 54.97 52.70 2kfw s GLU 108 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 34.13 33.92 2kfw s GLU 108 CO 0.09 -0.17 1.03 -1.50 0.02 0.00 0.00 175.26 174.73 2kfw s ILE 109 N 1.24 4.69 0.00 -3.70 2.07 -1.22 0.17 121.20 124.46 2kfw s ILE 109 Ca -0.09 1.93 0.00 0.00 -1.41 0.00 0.00 60.65 61.08 2kfw s ILE 109 Cb -0.11 -4.24 0.00 0.00 0.13 0.00 0.00 42.46 38.24 2kfw s ILE 109 CO -0.06 0.14 0.00 1.07 -1.91 0.00 0.00 174.94 174.18 2kfw n THR 110 N 3.96 0.00 -3.66 4.00 5.66 -1.21 -4.28 114.28 118.75 2kfw n THR 110 Ca 0.07 -0.07 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2kfw n THR 110 Cb 0.50 0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 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 -1.54 -1.09 -0.38 1.79 0.00 -1.26 -4.99 121.76 114.29 2kfw s ALA 111 Ca 0.00 1.45 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 2kfw s ALA 111 Cb 0.00 -1.28 0.08 0.00 0.00 0.00 0.00 23.12 21.92 2kfw s ALA 111 CO 0.00 -0.73 0.18 0.08 0.00 0.00 0.00 175.76 175.29 2kfw s VAL 112 N 2.55 3.68 0.59 0.00 1.01 -1.26 -1.59 120.40 125.37 2kfw s VAL 112 Ca -0.02 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 2kfw s VAL 112 Cb -0.12 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2kfw s VAL 112 CO -0.12 -0.44 0.83 -1.61 0.00 0.00 0.00 175.10 173.76 2kfw s GLU 113 N 1.31 2.48 0.09 2.72 2.02 0.18 -4.96 118.70 122.55 2kfw s GLU 113 Ca 0.02 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 2kfw s GLU 113 Cb -0.22 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.53 2kfw s GLU 113 CO -0.00 -0.83 1.32 -0.51 0.02 0.00 0.00 175.26 175.26 2kfw s ASP 114 N -4.44 6.92 -2.03 -0.19 1.01 -1.26 -2.53 116.67 114.15 2kfw s ASP 114 Ca 0.58 2.21 0.00 0.00 0.71 0.00 0.00 52.55 56.04 2kfw s ASP 114 Cb -0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2kfw s ASP 114 CO 0.40 -0.58 0.00 -0.67 0.21 0.00 0.00 175.17 174.53 2kfw n ASP 115 N 3.93 -5.47 -3.65 0.27 2.03 -1.26 -4.90 116.55 107.51 2kfw n ASP 115 Ca 0.10 0.35 -0.02 0.00 0.52 0.00 0.00 54.79 55.74 2kfw n ASP 115 Cb 0.44 -4.75 -0.07 0.00 -0.72 0.00 0.00 41.12 36.02 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2kfw s HIS 116 N -2.80 -0.23 0.20 -0.67 2.46 -1.05 -4.68 115.29 108.51 2kfw s HIS 116 Ca 0.00 0.51 0.01 0.00 0.47 0.00 0.00 55.06 56.04 2kfw s HIS 116 Cb 0.00 0.29 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 2kfw s HIS 116 CO 0.00 -0.11 0.07 0.54 -2.47 0.00 0.00 174.74 172.77 2kfw s VAL 117 N 0.65 0.42 0.06 0.89 0.11 -1.15 0.52 120.40 121.90 2kfw s VAL 117 Ca -0.02 -1.98 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 2kfw s VAL 117 Cb -0.04 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 2kfw s VAL 117 CO -0.12 -0.20 -0.11 0.68 -3.33 0.00 0.00 175.10 172.02 2kfw s VAL 118 N -3.85 0.86 -0.10 2.04 -7.23 -0.62 -0.73 120.40 110.77 2kfw s VAL 118 Ca 0.32 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2kfw s VAL 118 Cb 0.07 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 36.15 2kfw s VAL 118 CO 0.09 -0.31 0.24 0.54 -0.31 0.00 0.00 175.10 175.35 2kfw s VAL 119 N -1.40 -0.03 -0.01 1.32 0.11 -1.02 -3.29 120.40 116.09 2kfw s VAL 119 Ca -0.05 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2kfw s VAL 119 Cb -0.10 -0.37 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2kfw s VAL 119 CO 0.01 0.04 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.93 2kfw s ASP 120 N 0.84 1.00 0.00 3.54 1.01 0.46 -2.91 116.67 120.61 2kfw s ASP 120 Ca -0.06 -0.15 0.25 0.00 0.71 0.00 0.00 52.55 53.30 2kfw s ASP 120 Cb -0.07 -0.15 0.57 0.00 1.01 0.00 0.00 42.92 44.28 2kfw s ASP 120 CO -0.05 0.09 1.46 0.61 0.21 0.00 0.00 175.17 177.48 2kfw n GLY 121 N 2.98 -1.05 3.80 0.21 0.00 -1.26 0.00 105.19 109.87 2kfw n GLY 121 Ca -0.14 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.85 7.13 0.34 1.61 2.47 -1.26 -4.87 114.94 117.52 2kfw s ASN 122 Ca 0.15 1.68 -0.27 0.00 0.42 0.00 0.00 52.86 54.84 2kfw s ASN 122 Cb 0.18 -2.53 -0.12 0.00 -1.45 0.00 0.00 41.25 37.33 2kfw s ASN 122 CO 0.65 -0.15 1.17 1.41 -3.72 0.00 0.00 177.10 176.46 2kfw n HIS 123 N 0.15 1.85 0.30 0.43 8.25 -1.26 -4.78 115.22 120.16 2kfw n HIS 123 Ca 0.03 0.60 0.14 0.00 -0.26 0.00 0.00 57.72 58.22 2kfw n HIS 123 Cb 0.52 -2.34 0.73 0.00 1.12 0.00 0.00 29.99 30.02 2kfw n HIS 123 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2kfw h MET 124 N 2.25 0.00 0.00 -0.41 4.05 -1.94 -3.29 114.93 115.58 2kfw h MET 124 Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 2kfw h MET 124 Cb 1.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2kfw h MET 124 CO 0.61 0.00 0.00 1.28 0.23 0.00 0.00 176.91 179.03 2kfw n LEU 125 N -2.71 0.11 -1.24 3.39 4.32 -1.26 -5.09 117.00 114.52 2kfw n LEU 125 Ca -0.02 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.12 2kfw n LEU 125 Cb 0.35 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.10 2kfw n LEU 125 CO 0.12 0.00 -0.35 0.00 -1.22 0.00 0.00 177.39 175.94 2kfw n ALA 126 N -2.07 -3.42 -1.43 -1.18 0.00 -1.24 -4.80 120.51 106.36 2kfw n ALA 126 Ca 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 2kfw n ALA 126 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.77 1.00 2.71 0.00 0.00 -1.26 -4.65 105.19 99.20 2kfw n GLY 127 Ca -0.03 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 2kfw n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfw s GLN 128 N -3.12 0.35 0.92 1.61 0.74 -1.26 -4.97 119.66 113.94 2kfw s GLN 128 Ca 0.00 -0.36 -0.12 0.00 0.05 0.00 0.00 55.36 54.93 2kfw s GLN 128 Cb 0.00 -0.79 0.07 0.00 1.10 0.00 0.00 33.01 33.39 2kfw s GLN 128 CO 0.00 -1.06 0.67 -1.71 -0.55 0.00 0.00 175.29 172.64 2kfw n ASN 129 N 5.10 -1.19 -4.14 6.67 5.15 -1.26 -4.45 115.26 121.15 2kfw n ASN 129 Ca -0.00 0.38 -0.27 0.00 -0.60 0.00 0.00 54.58 54.09 2kfw n ASN 129 Cb 0.45 -1.30 -0.16 0.00 -0.53 0.00 0.00 39.78 38.24 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kfw s LEU 130 N -2.85 1.92 -0.23 1.20 2.01 -1.26 -4.87 118.68 114.60 2kfw s LEU 130 Ca 0.61 -0.37 -0.03 0.00 0.01 0.00 0.00 54.13 54.35 2kfw s LEU 130 Cb -0.23 -1.00 0.00 0.00 0.01 0.00 0.00 46.19 44.97 2kfw s LEU 130 CO 0.63 0.16 -0.04 -0.75 1.01 0.00 0.00 176.35 177.36 2kfw s LYS 131 N 0.05 3.20 -0.05 1.70 2.20 -1.18 -1.92 119.74 123.75 2kfw s LYS 131 Ca -0.05 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.71 2kfw s LYS 131 Cb -0.12 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2kfw s LYS 131 CO 0.02 -0.27 0.26 -0.59 -0.36 0.00 0.00 175.35 174.41 2kfw s PHE 132 N 1.44 -0.19 0.28 4.03 -0.12 -1.25 -1.72 117.98 120.45 2kfw s PHE 132 Ca 0.04 0.38 -0.09 0.00 -0.05 0.00 0.00 56.93 57.20 2kfw s PHE 132 Cb -0.15 0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.24 2kfw s PHE 132 CO -0.03 -0.27 0.60 0.54 -0.05 0.00 0.00 175.22 176.00 2kfw s ASN 133 N -0.76 6.59 -0.01 1.98 4.22 -0.91 -3.12 114.94 122.92 2kfw s ASN 133 Ca -0.08 0.94 0.03 0.00 -2.14 0.00 0.00 52.86 51.61 2kfw s ASN 133 Cb -0.04 -2.24 -0.01 0.00 1.28 0.00 0.00 41.25 40.24 2kfw s ASN 133 CO 0.02 -0.16 -0.11 -0.69 -2.04 0.00 0.00 177.10 174.12 2kfw s VAL 134 N -1.97 0.89 -0.07 3.54 1.01 0.17 -2.35 120.40 121.63 2kfw s VAL 134 Ca 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2kfw s VAL 134 Cb -0.11 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2kfw s VAL 134 CO 0.24 0.25 -0.05 -1.61 0.00 0.00 0.00 175.10 173.93 2kfw s GLU 135 N -0.23 1.10 0.28 2.72 2.02 -0.40 -1.59 118.70 122.60 2kfw s GLU 135 Ca 0.04 -0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 2kfw s GLU 135 Cb -0.05 -1.17 -0.10 0.00 0.10 0.00 0.00 34.13 32.92 2kfw s GLU 135 CO -0.00 -0.18 1.08 0.08 0.02 0.00 0.00 175.26 176.26 2kfw s VAL 136 N 1.38 3.54 -0.10 2.63 1.01 0.54 -2.49 120.40 126.91 2kfw s VAL 136 Ca -0.03 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2kfw s VAL 136 Cb -0.13 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 2kfw s VAL 136 CO -0.03 0.37 -0.07 0.52 0.00 0.00 0.00 175.10 175.89 2kfw n VAL 137 N 1.21 0.61 -3.78 2.92 0.31 0.32 -2.55 118.33 117.37 2kfw n VAL 137 Ca -0.01 -0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.01 2kfw n VAL 137 Cb 0.45 -0.86 -0.01 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 -1.55 -0.28 3.52 0.00 -1.23 -4.56 121.76 115.45 2kfw s ALA 138 Ca -0.12 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2kfw s ALA 138 Cb 0.03 0.68 0.15 0.00 0.00 0.00 0.00 23.12 23.99 2kfw s ALA 138 CO 0.28 -1.04 0.37 0.42 0.00 0.00 0.00 175.76 175.78 2kfw s ILE 139 N -3.24 -0.57 0.41 0.00 1.01 -1.24 -2.90 121.20 114.66 2kfw s ILE 139 Ca 0.13 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.55 2kfw s ILE 139 Cb -0.02 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.42 2kfw s ILE 139 CO 0.04 -0.30 0.05 -0.60 0.00 0.00 0.00 174.94 174.13 2kfw s ARG 140 N 2.50 2.03 -0.11 2.79 3.52 0.02 -4.86 118.95 124.84 2kfw s ARG 140 Ca 0.10 -2.04 -0.06 0.00 -0.13 0.00 0.00 55.73 53.60 2kfw s ARG 140 Cb -0.13 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 2kfw s ARG 140 CO -0.28 -0.06 0.13 -1.21 -0.81 0.00 0.00 175.30 173.07 2kfw s GLU 141 N -3.76 3.40 0.42 5.12 8.01 -1.26 0.23 118.70 130.86 2kfw s GLU 141 Ca 0.36 -0.17 -0.01 0.00 0.01 0.00 0.00 54.97 55.17 2kfw s GLU 141 Cb 0.08 -3.15 -0.02 0.00 -4.31 0.00 0.00 34.13 26.73 2kfw s GLU 141 CO 0.19 0.77 0.66 0.00 0.01 0.00 0.00 175.26 176.88 2kfw s ALA 142 N -1.04 3.62 1.02 5.21 0.00 -1.18 -4.86 121.76 124.54 2kfw s ALA 142 Ca 0.16 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 2kfw s ALA 142 Cb -0.12 -2.26 0.20 0.00 0.00 0.00 0.00 23.12 20.94 2kfw s ALA 142 CO 0.05 -0.24 1.16 0.99 0.00 0.00 0.00 175.76 177.72 2kfw s THR 143 N -2.52 1.88 0.31 0.00 2.01 -1.26 -4.72 115.64 111.34 2kfw s THR 143 Ca 0.45 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2kfw s THR 143 Cb -0.10 -2.70 0.29 0.00 0.01 0.00 0.00 72.50 70.00 2kfw s THR 143 CO 0.39 0.00 1.89 -0.33 -0.69 0.00 0.00 174.62 175.88 2kfw h GLU 144 N -1.89 0.90 -0.12 4.92 5.08 -1.99 -0.79 114.58 120.68 2kfw h GLU 144 Ca -0.48 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 57.67 2kfw h GLU 144 Cb 1.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2kfw h GLU 144 CO 0.48 0.60 -0.58 1.49 -1.00 0.00 0.00 179.01 180.00 2kfw h GLU 145 N 0.93 0.39 0.01 2.33 4.81 -1.98 -1.03 114.58 120.04 2kfw h GLU 145 Ca 0.42 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2kfw h GLU 145 Cb 0.38 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kfw h GLU 145 CO -0.18 0.86 -0.00 0.93 -0.73 0.00 0.00 179.01 179.88 2kfw h GLU 146 N 0.30 -0.01 0.00 1.92 4.39 -1.37 -2.30 114.58 117.50 2kfw h GLU 146 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2kfw h GLU 146 Cb 1.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2kfw h GLU 146 CO 0.10 0.06 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.76 2kfw h LEU 147 N -0.08 0.00 0.07 1.33 4.07 -1.41 0.79 115.31 120.09 2kfw h LEU 147 Ca -0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 2kfw h LEU 147 Cb 0.07 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2kfw h LEU 147 CO 0.00 0.18 -0.19 0.00 -1.08 0.00 0.00 178.44 177.35 2kfw h ALA 148 N 1.82 -0.29 0.00 1.53 0.00 -0.60 -3.20 119.26 118.51 2kfw h ALA 148 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kfw h ALA 148 Cb 0.80 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kfw h ALA 148 CO 0.02 -0.71 -0.74 0.72 0.00 0.00 0.00 179.25 178.54 2kfw n HIS 149 N -5.32 0.00 -1.34 0.00 8.25 -1.13 -5.03 115.22 110.66 2kfw n HIS 149 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2kfw n HIS 149 Cb 0.23 -0.03 0.00 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 1.36 0.00 3.33 -1.41 0.00 0.25 -5.00 105.19 103.73 2kfw n GLY 150 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.89 -0.31 -0.11 1.61 3.76 0.23 -4.88 115.29 112.71 2kfw s HIS 151 Ca 0.00 0.37 0.03 0.00 -0.15 0.00 0.00 55.06 55.30 2kfw s HIS 151 Cb 0.00 0.23 0.01 0.00 1.11 0.00 0.00 32.58 33.92 2kfw s HIS 151 CO 0.00 -0.54 -0.19 0.14 -0.85 0.00 0.00 174.74 173.30 2kfw s VAL 152 N -2.06 1.75 -0.73 -0.90 -7.23 -1.26 -4.41 120.40 105.56 2kfw s VAL 152 Ca -0.08 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 2kfw s VAL 152 Cb -0.02 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2kfw s VAL 152 CO 0.01 0.49 0.63 1.41 -0.31 0.00 0.00 175.10 177.33 2kfw n HIS 153 N 3.89 -2.44 0.00 2.82 8.25 -1.26 -4.74 115.22 121.74 2kfw n HIS 153 Ca -0.20 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 2kfw n HIS 153 Cb 0.52 -3.04 0.00 0.00 1.12 0.00 0.00 29.99 28.59 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 154 N -1.41 -0.30 3.65 -1.41 0.00 -1.26 -5.10 105.19 99.36 2kfw n GLY 154 Ca -0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 46.02 43.54 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw s ALA 155 N -1.86 -2.22 0.32 4.61 0.00 -1.26 -4.77 121.76 116.58 2kfw s ALA 155 Ca 0.00 1.82 0.29 0.00 0.00 0.00 0.00 51.96 54.07 2kfw s ALA 155 Cb 0.00 -1.71 1.40 0.00 0.00 0.00 0.00 23.12 22.81 2kfw s ALA 155 CO 0.00 -0.19 2.03 1.25 0.00 0.00 0.00 175.76 178.85 2kfw h HIS 156 N 3.96 0.00 0.19 0.00 6.17 -1.99 -2.89 115.15 120.59 2kfw h HIS 156 Ca -0.27 0.00 -0.30 0.00 0.71 0.00 0.00 60.37 60.51 2kfw h HIS 156 Cb 1.19 0.00 0.03 0.00 2.52 0.00 0.00 27.41 31.15 2kfw h HIS 156 CO 0.23 0.12 -1.29 -0.44 0.71 0.00 0.00 177.93 177.26 2kfw h ASP 157 N 0.00 0.80 -1.19 3.26 5.19 -2.00 -3.46 116.42 119.01 2kfw h ASP 157 Ca -0.00 -0.89 -0.28 0.00 -0.62 0.00 0.00 57.03 55.24 2kfw h ASP 157 Cb 0.43 -0.26 -0.11 0.00 0.18 0.00 0.00 39.33 39.57 2kfw h ASP 157 CO 0.02 1.63 -0.25 1.57 -3.12 0.00 0.00 179.24 179.08 2kfw n HIS 158 N -3.82 -0.27 -3.83 4.55 -0.00 -1.10 -4.90 115.22 105.85 2kfw n HIS 158 Ca -0.15 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.66 2kfw n HIS 158 Cb 1.02 -2.66 -0.13 0.00 -0.12 0.00 0.00 29.99 28.09 2kfw n HIS 158 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kfw s HIS 159 N -2.13 3.22 -0.05 1.57 5.04 -1.26 -4.93 115.29 116.75 2kfw s HIS 159 Ca 0.00 -1.54 -0.03 0.00 -1.54 0.00 0.00 55.06 51.95 2kfw s HIS 159 Cb 0.00 -2.19 -0.02 0.00 0.04 0.00 0.00 32.58 30.41 2kfw s HIS 159 CO 0.00 -0.74 -0.07 1.58 -2.34 0.00 0.00 174.74 173.17 2kfw n HIS 160 N 4.74 0.00 -4.06 3.88 -0.00 -1.26 -5.02 115.22 113.50 2kfw n HIS 160 Ca -0.13 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.78 2kfw n HIS 160 Cb 0.45 -0.20 -0.04 0.00 -0.12 0.00 0.00 29.99 30.08 2kfw n HIS 160 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kfw n ASP 161 N -3.31 0.06 -1.12 0.26 -0.08 -1.26 -4.49 116.55 106.61 2kfw n ASP 161 Ca -0.10 -1.08 0.11 0.00 -1.51 0.00 0.00 54.79 52.21 2kfw n ASP 161 Cb 0.53 -2.64 -0.06 0.00 2.34 0.00 0.00 41.12 41.29 2kfw n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfw n HIS 162 N -4.45 -2.50 0.00 -0.67 1.44 -1.26 -4.97 115.22 102.81 2kfw n HIS 162 Ca -0.32 1.37 0.00 0.00 -2.01 0.00 0.00 57.72 56.77 2kfw n HIS 162 Cb 0.69 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 28.53 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 163 N -3.93 0.00 -3.26 4.39 2.03 -1.26 -5.05 116.55 109.47 2kfw n ASP 163 Ca -0.06 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.20 2kfw n ASP 163 Cb 0.47 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 2kfw n ASP 163 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kfw s HIS 164 N -0.92 -1.26 0.00 -0.67 3.76 -1.26 -5.06 115.29 109.88 2kfw s HIS 164 Ca 0.00 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2kfw s HIS 164 Cb 0.00 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.73 2kfw s HIS 164 CO 0.00 -1.07 0.00 -0.25 -0.85 0.00 0.00 174.74 172.57 2kfw n ASP 165 N 4.77 0.00 -3.05 1.40 9.92 -1.26 -5.14 116.55 123.20 2kfw n ASP 165 Ca 0.08 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.16 2kfw n ASP 165 Cb 0.52 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.94 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfw n GLY 166 N 3.12 3.23 2.52 0.44 0.00 -1.26 -4.82 105.19 108.43 2kfw n GLY 166 Ca 0.00 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 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 1.35 1.41 0.00 0.00 0.00 -1.26 -5.03 105.19 101.65 2kfw n GLY 169 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.02 0.16 -0.02 0.00 -1.26 -5.04 105.19 102.05 2kfw n GLY 170 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.71 0.00 -3.62 1.61 8.25 -1.26 -4.89 115.22 114.61 2kfw n HIS 171 Ca 0.00 -0.75 -0.28 0.00 -0.26 0.00 0.00 57.72 56.43 2kfw n HIS 171 Cb 0.00 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 2kfw n HIS 171 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kfw s GLY 172 N -2.38 1.79 -0.05 -1.41 0.00 -1.26 -4.89 107.32 99.12 2kfw s GLY 172 Ca 0.24 -2.85 0.07 0.00 0.00 0.00 0.00 44.72 42.18 2kfw s GLY 172 CO 0.02 1.69 1.00 -2.39 0.00 0.00 0.00 173.10 173.42 2kfw n HIS 173 N 2.83 0.00 -3.83 1.90 1.44 -1.26 -5.01 115.22 111.29 2kfw n HIS 173 Ca 0.21 -0.58 -0.36 0.00 -2.01 0.00 0.00 57.72 54.97 2kfw n HIS 173 Cb 0.40 -0.08 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 2kfw n HIS 173 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2kfw s ASP 174 N -1.59 5.43 -0.08 4.39 1.01 -1.26 -4.94 116.67 119.63 2kfw s ASP 174 Ca 0.12 -0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.37 2kfw s ASP 174 Cb 0.10 -1.96 -0.09 0.00 1.01 0.00 0.00 42.92 41.97 2kfw s ASP 174 CO 0.01 0.04 0.02 0.00 0.21 0.00 0.00 175.17 175.45 2kfw n HIS 175 N 4.44 0.00 -0.74 4.23 1.44 -1.26 -5.12 115.22 118.21 2kfw n HIS 175 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2kfw n HIS 175 Cb 0.52 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kfw n GLY 176 N 2.55 -3.84 3.63 -1.39 0.00 -1.26 -5.10 105.19 99.78 2kfw n GLY 176 Ca -0.13 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kfw n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 177 N -2.21 -0.07 0.00 1.61 5.04 -1.26 -5.13 115.29 113.27 2kfw s HIS 177 Ca 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.47 2kfw s HIS 177 Cb 0.00 0.55 0.00 0.00 0.04 0.00 0.00 32.58 33.17 2kfw s HIS 177 CO 0.00 -0.33 0.00 -1.91 -2.34 0.00 0.00 174.74 170.16 2kfw n GLU 178 N -0.42 0.00 0.00 2.88 4.07 -1.26 -5.15 120.64 120.76 2kfw n GLU 178 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2kfw n GLU 178 Cb 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 2kfw n GLU 178 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 2kfw n HIS 179 N -0.39 -0.84 0.00 4.31 1.44 -1.26 -5.03 115.22 113.45 2kfw n HIS 179 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kfw n HIS 179 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kfw n GLY 180 N 3.66 -0.40 0.00 -1.39 0.00 -1.26 -5.15 105.19 100.65 2kfw n GLY 180 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N -1.28 6.42 1.26 -0.02 0.00 -1.26 -5.09 105.19 105.22 2kfw n GLY 181 Ca 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.94 120.64 116.33 2kfw n GLU 182 Ca 0.00 -1.53 0.00 0.00 -0.16 0.00 0.00 57.16 55.47 2kfw n GLU 182 Cb 0.00 0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.10 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 0.27 0.00 0.10 -1.84 0.00 -1.26 -5.06 105.19 97.40 2kfw n GLY 183 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.68 0.00 0.00 0.00 -1.26 -5.05 105.19 99.56 2kfw n GLY 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 187 N -2.05 1.21 2.22 -0.02 0.00 -1.26 -5.03 105.19 100.26 2kfw n GLY 187 Ca 0.00 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 45.13 2kfw n GLY 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kfw n LYS 188 N 0.00 -2.03 0.00 1.61 0.00 -1.26 -5.00 118.16 111.49 2kfw n LYS 188 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 58.31 59.65 2kfw n LYS 188 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 32.56 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kfw n GLY 189 N -3.09 0.49 3.51 3.14 0.00 -1.26 -5.08 105.19 102.90 2kfw n GLY 189 Ca 0.01 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.28 2kfw n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kfw n ASN 190 N 0.00 0.87 -0.05 1.61 4.05 -1.26 -4.66 115.26 115.82 2kfw n ASN 190 Ca 0.00 0.01 -0.06 0.00 0.45 0.00 0.00 54.58 54.99 2kfw n ASN 190 Cb 0.00 -1.10 -0.06 0.00 1.23 0.00 0.00 39.78 39.85 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kfw n GLY 191 N 6.40 -0.27 2.42 8.20 0.00 -1.26 -4.86 105.19 115.82 2kfw n GLY 191 Ca 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 2.75 1.81 3.03 -0.02 0.00 -1.26 -5.03 105.19 106.47 2kfw n GLY 192 Ca -0.17 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N 1.77 -0.96 7.00 0.00 0.00 -1.26 -5.10 105.19 106.64 2kfw n GLY 194 Ca 0.25 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32