#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw n LYS 2 N 0.00 1.25 -2.59 3.17 2.85 -1.26 -4.84 118.16 116.73 2kfw n LYS 2 Ca 0.00 -2.06 -0.42 0.00 -1.05 0.00 0.00 58.31 54.77 2kfw n LYS 2 Cb 0.00 0.48 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 2kfw n LYS 2 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2kfw s VAL 3 N -1.93 4.54 0.16 0.58 1.01 -1.26 -4.92 120.40 118.58 2kfw s VAL 3 Ca 0.04 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 2kfw s VAL 3 Cb -0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2kfw s VAL 3 CO 0.02 0.13 0.22 0.00 0.00 0.00 0.00 175.10 175.48 2kfw n ALA 4 N 4.01 -0.12 -1.54 5.51 0.00 -1.26 -3.61 120.51 123.51 2kfw n ALA 4 Ca 0.07 -0.77 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 2kfw n ALA 4 Cb 0.49 0.62 0.05 0.00 0.00 0.00 0.00 19.45 20.61 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 -2.40 2.79 -1.65 0.00 2.20 -1.26 -3.05 119.74 116.37 2kfw s LYS 5 Ca 0.14 1.49 -0.02 0.00 -0.36 0.00 0.00 55.97 57.22 2kfw s LYS 5 Cb -0.00 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 2kfw s LYS 5 CO 0.10 -1.27 0.24 -0.25 -0.36 0.00 0.00 175.35 173.81 2kfw n ASP 6 N -2.26 -5.84 -3.72 1.43 9.92 -1.26 -4.95 116.55 109.86 2kfw n ASP 6 Ca 0.11 -0.12 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 2kfw n ASP 6 Cb 0.51 -4.81 -0.15 0.00 -0.64 0.00 0.00 41.12 36.04 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kfw s LEU 7 N -6.28 2.16 0.01 0.64 2.01 -1.17 -1.70 118.68 114.35 2kfw s LEU 7 Ca 0.12 -1.62 -0.36 0.00 0.01 0.00 0.00 54.13 52.28 2kfw s LEU 7 Cb -0.06 -0.84 -0.15 0.00 0.01 0.00 0.00 46.19 45.16 2kfw s LEU 7 CO 0.15 -0.42 1.58 1.33 1.01 0.00 0.00 176.35 180.01 2kfw n VAL 8 N 4.87 0.16 -3.78 -1.59 0.24 0.80 -4.21 118.33 114.83 2kfw n VAL 8 Ca -0.02 -0.03 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 2kfw n VAL 8 Cb 0.42 -1.30 -0.17 0.00 -1.47 0.00 0.00 33.84 31.32 2kfw n VAL 8 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2kfw s VAL 9 N 1.84 0.56 -0.49 3.34 1.01 -1.14 -0.83 120.40 124.68 2kfw s VAL 9 Ca 0.87 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 2kfw s VAL 9 Cb -0.85 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 34.73 2kfw s VAL 9 CO 0.49 0.05 0.59 -0.94 0.00 0.00 0.00 175.10 175.29 2kfw s SER 10 N 1.87 6.22 -0.17 3.32 1.04 -1.22 -3.05 113.70 121.71 2kfw s SER 10 Ca 0.02 -0.91 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 2kfw s SER 10 Cb -0.15 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 63.74 2kfw s SER 10 CO -0.07 -0.84 -0.08 -1.48 0.98 0.00 0.00 173.24 171.75 2kfw s LEU 11 N 2.52 1.80 0.41 2.42 0.05 -1.20 -1.16 118.68 123.51 2kfw s LEU 11 Ca 0.14 -0.69 -0.23 0.00 0.05 0.00 0.00 54.13 53.40 2kfw s LEU 11 Cb -0.19 -1.03 -0.10 0.00 -2.05 0.00 0.00 46.19 42.82 2kfw s LEU 11 CO 0.12 -0.16 1.00 0.00 -0.55 0.00 0.00 176.35 176.76 2kfw s ALA 12 N 1.55 3.06 -0.04 1.48 0.00 -1.09 -3.79 121.76 122.92 2kfw s ALA 12 Ca 0.01 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 2kfw s ALA 12 Cb -0.15 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.80 2kfw s ALA 12 CO -0.08 -0.07 0.54 1.52 0.00 0.00 0.00 175.76 177.68 2kfw s TYR 13 N -1.85 -0.49 -0.12 0.00 1.13 -1.26 -1.65 117.35 113.12 2kfw s TYR 13 Ca 0.59 0.82 0.01 0.00 -1.41 0.00 0.00 57.07 57.09 2kfw s TYR 13 Cb -0.17 0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 40.98 2kfw s TYR 13 CO 0.21 -0.53 -0.16 -1.14 -2.51 0.00 0.00 175.55 171.43 2kfw s GLN 14 N -1.21 3.28 0.14 -3.49 0.74 -1.11 -0.63 119.66 117.38 2kfw s GLN 14 Ca -0.12 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 54.62 2kfw s GLN 14 Cb -0.02 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 2kfw s GLN 14 CO 0.08 0.20 -0.04 0.54 -0.55 0.00 0.00 175.29 175.52 2kfw s VAL 15 N 0.35 3.61 -0.17 1.34 0.11 -0.69 -2.40 120.40 122.55 2kfw s VAL 15 Ca -0.13 -1.34 -0.16 0.00 -2.93 0.00 0.00 61.98 57.41 2kfw s VAL 15 Cb -0.17 -2.76 0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2kfw s VAL 15 CO 0.07 -0.02 0.46 -0.60 -3.33 0.00 0.00 175.10 171.68 2kfw s ARG 16 N -2.64 0.55 0.33 1.54 3.52 -0.25 -3.66 118.95 118.35 2kfw s ARG 16 Ca 0.25 0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 56.35 2kfw s ARG 16 Cb -0.10 0.27 -0.08 0.00 -1.56 0.00 0.00 34.95 33.48 2kfw s ARG 16 CO 0.17 -0.07 0.70 0.95 -0.81 0.00 0.00 175.30 176.24 2kfw s THR 17 N 0.19 4.78 0.65 4.11 -4.23 0.27 -3.06 115.64 118.36 2kfw s THR 17 Ca -0.00 0.69 0.24 0.00 -1.18 0.00 0.00 61.69 61.43 2kfw s THR 17 Cb -0.03 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.40 2kfw s THR 17 CO 0.01 -0.29 1.72 1.05 -0.54 0.00 0.00 174.62 176.56 2kfw h GLU 18 N 1.91 0.00 0.00 3.99 4.11 -1.89 0.80 114.58 123.50 2kfw h GLU 18 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kfw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kfw h GLU 18 CO 0.65 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.26 2kfw n ASP 19 N -2.94 0.00 -0.07 3.06 2.03 -1.26 -4.82 116.55 112.55 2kfw n ASP 19 Ca 0.01 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.67 2kfw n ASP 19 Cb 0.58 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfw n GLY 20 N 0.42 0.55 3.31 0.27 0.00 0.28 -5.06 105.19 104.96 2kfw n GLY 20 Ca 0.16 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.13 1.99 -0.36 1.61 1.01 -1.18 -4.91 120.40 116.43 2kfw s VAL 21 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 2kfw s VAL 21 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2kfw s VAL 21 CO 0.00 0.39 0.26 -1.48 0.00 0.00 0.00 175.10 174.27 2kfw s LEU 22 N -1.02 4.69 0.15 3.92 2.34 -1.26 0.95 118.68 128.45 2kfw s LEU 22 Ca 0.10 -0.57 -0.01 0.00 0.06 0.00 0.00 54.13 53.72 2kfw s LEU 22 Cb -0.10 -2.14 -0.05 0.00 -0.56 0.00 0.00 46.19 43.35 2kfw s LEU 22 CO 0.01 -0.30 1.34 0.58 -1.06 0.00 0.00 176.35 176.93 2kfw h VAL 23 N 5.54 1.45 -1.74 1.48 2.07 -1.93 -3.47 116.25 119.64 2kfw h VAL 23 Ca -0.30 -2.55 0.03 0.00 0.82 0.00 0.00 66.70 64.70 2kfw h VAL 23 Cb 1.15 2.45 -0.21 0.00 -1.52 0.00 0.00 31.29 33.15 2kfw h VAL 23 CO 0.66 0.75 0.42 -0.62 0.02 0.00 0.00 177.57 178.80 2kfw s ASP 24 N -7.00 -0.48 -0.13 0.57 2.15 -1.26 -5.08 116.67 105.45 2kfw s ASP 24 Ca -0.04 0.51 -0.10 0.00 0.43 0.00 0.00 52.55 53.35 2kfw s ASP 24 Cb 0.10 0.39 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 2kfw s ASP 24 CO 0.84 -0.45 0.33 -1.83 -0.17 0.00 0.00 175.17 173.90 2kfw s GLU 25 N -1.19 0.36 0.05 4.34 -1.05 -1.26 -1.70 118.70 118.25 2kfw s GLU 25 Ca -0.05 0.52 -0.11 0.00 -0.15 0.00 0.00 54.97 55.19 2kfw s GLU 25 Cb -0.00 0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.73 2kfw s GLU 25 CO 0.04 -0.08 0.39 -1.12 0.95 0.00 0.00 175.26 175.44 2kfw s SER 26 N 0.55 6.66 0.21 0.83 0.01 0.20 -4.97 113.70 117.20 2kfw s SER 26 Ca -0.03 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.74 2kfw s SER 26 Cb -0.05 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.91 2kfw s SER 26 CO -0.03 0.21 1.17 -2.16 0.41 0.00 0.00 173.24 172.84 2kfw s PRO 27 N -1.71 4.53 0.43 12.44 0.04 -1.25 -4.31 135.00 145.18 2kfw s PRO 27 Ca 0.30 1.86 0.13 0.00 0.04 0.00 0.00 61.00 63.32 2kfw s PRO 27 Cb -0.14 -3.22 0.94 0.00 0.04 0.00 0.00 34.50 32.11 2kfw s PRO 27 CO 0.17 0.00 1.98 -0.39 0.04 0.00 0.00 177.00 178.79 2kfw h VAL 28 N 3.55 1.14 0.00 -0.36 -1.51 -1.96 -1.51 116.25 115.60 2kfw h VAL 28 Ca -0.45 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 2kfw h VAL 28 Cb 1.21 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2kfw h VAL 28 CO 0.72 0.19 0.00 -1.28 -1.23 0.00 0.00 177.57 175.97 2kfw h SER 29 N 0.09 0.00 -2.93 4.19 0.87 -2.02 -3.39 113.55 110.36 2kfw h SER 29 Ca 0.02 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.99 2kfw h SER 29 Cb 0.31 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.88 2kfw h SER 29 CO 0.02 0.00 -0.80 0.00 -0.53 0.00 0.00 176.83 175.52 2kfw s ALA 30 N -3.20 1.34 0.83 6.23 0.00 -0.57 -2.30 121.76 124.08 2kfw s ALA 30 Ca 0.08 -2.04 -0.11 0.00 0.00 0.00 0.00 51.96 49.88 2kfw s ALA 30 Cb 0.08 -1.69 0.09 0.00 0.00 0.00 0.00 23.12 21.61 2kfw s ALA 30 CO 0.62 -2.04 1.09 -1.25 0.00 0.00 0.00 175.76 174.18 2kfw s PRO 31 N 0.93 1.85 -0.71 0.00 0.04 -1.22 -3.76 135.00 132.12 2kfw s PRO 31 Ca 0.17 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 2kfw s PRO 31 Cb -0.23 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.56 2kfw s PRO 31 CO -0.03 -1.81 0.80 -1.17 0.04 0.00 0.00 177.00 174.84 2kfw s LEU 32 N -5.92 5.62 -0.10 -3.56 2.96 -1.25 -4.73 118.68 111.70 2kfw s LEU 32 Ca 0.62 -1.83 -0.27 0.00 -0.22 0.00 0.00 54.13 52.42 2kfw s LEU 32 Cb -0.16 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 2kfw s LEU 32 CO 0.55 -0.99 0.87 1.51 -1.32 0.00 0.00 176.35 176.98 2kfw s ASP 33 N 3.32 7.11 0.26 3.68 1.47 -1.26 -3.25 116.67 128.00 2kfw s ASP 33 Ca 0.17 1.35 -0.21 0.00 1.18 0.00 0.00 52.55 55.04 2kfw s ASP 33 Cb -0.17 -2.49 0.03 0.00 -0.34 0.00 0.00 42.92 39.94 2kfw s ASP 33 CO -0.00 -0.33 0.70 -0.72 0.68 0.00 0.00 175.17 175.50 2kfw s TYR 34 N 1.63 -0.24 -0.31 2.11 -0.85 -1.17 -4.86 117.35 113.67 2kfw s TYR 34 Ca 0.43 -0.18 -0.28 0.00 -0.52 0.00 0.00 57.07 56.52 2kfw s TYR 34 Cb -0.18 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 2kfw s TYR 34 CO 0.18 -1.17 1.82 -0.51 -1.52 0.00 0.00 175.55 174.35 2kfw s LEU 35 N -2.89 3.53 0.29 -3.49 1.02 -1.26 -2.90 118.68 112.98 2kfw s LEU 35 Ca 0.09 1.40 -0.28 0.00 0.02 0.00 0.00 54.13 55.36 2kfw s LEU 35 Cb -0.05 -3.52 -0.09 0.00 0.02 0.00 0.00 46.19 42.54 2kfw s LEU 35 CO 0.04 -1.69 0.96 -2.28 0.02 0.00 0.00 176.35 173.40 2kfw s HIS 36 N 6.85 3.76 0.00 0.29 5.65 -1.26 -3.36 115.29 127.23 2kfw s HIS 36 Ca 0.81 1.82 0.00 0.00 0.25 0.00 0.00 55.06 57.94 2kfw s HIS 36 Cb -0.24 -2.99 0.00 0.00 -1.18 0.00 0.00 32.58 28.17 2kfw s HIS 36 CO 0.34 0.18 0.00 0.41 -0.65 0.00 0.00 174.74 175.02 2kfw n GLY 37 N 0.94 2.76 2.68 1.59 0.00 -1.26 -4.21 105.19 107.69 2kfw n GLY 37 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N -1.25 2.00 -0.21 1.61 0.00 -1.22 -4.88 115.29 111.34 2kfw s HIS 38 Ca 0.00 -2.49 -0.01 0.00 -3.00 0.00 0.00 55.06 49.56 2kfw s HIS 38 Cb 0.00 -1.81 -0.01 0.00 -4.00 0.00 0.00 32.58 26.76 2kfw s HIS 38 CO 0.00 -0.76 0.19 0.41 -1.00 0.00 0.00 174.74 173.58 2kfw n GLY 39 N 3.27 0.10 0.00 -1.38 0.00 -1.26 -4.63 105.19 101.29 2kfw n GLY 39 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfw n SER 40 N -1.63 0.00 0.00 1.61 3.41 -1.21 -4.32 113.62 111.47 2kfw n SER 40 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2kfw n SER 40 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kfw n LEU 41 N -0.96 0.00 -3.95 1.04 7.99 -1.26 -5.03 117.00 114.83 2kfw n LEU 41 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 2kfw n LEU 41 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 2kfw n LEU 41 CO 0.00 0.00 -0.16 -0.63 -1.51 0.00 0.00 177.39 175.09 2kfw s ILE 42 N 0.00 0.14 0.61 -0.08 1.01 -1.26 -4.96 121.20 116.66 2kfw s ILE 42 Ca 0.00 -1.42 0.33 0.00 0.00 0.00 0.00 60.65 59.56 2kfw s ILE 42 Cb 0.00 -1.53 0.37 0.00 0.01 0.00 0.00 42.46 41.31 2kfw s ILE 42 CO 0.00 -0.64 2.19 0.77 0.00 0.00 0.00 174.94 177.26 2kfw h SER 43 N 2.81 0.00 0.67 3.58 4.64 -1.98 0.25 113.55 123.51 2kfw h SER 43 Ca -0.34 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.73 2kfw h SER 43 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2kfw h SER 43 CO 0.57 0.00 -1.46 1.23 -0.87 0.00 0.00 176.83 176.30 2kfw h GLY 44 N 0.00 0.00 0.00 -0.77 0.00 -1.95 -3.33 103.07 97.03 2kfw h GLY 44 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2kfw h GLY 44 CO -0.00 0.00 -0.43 -2.00 0.00 0.00 0.00 176.54 174.11 2kfw h LEU 45 N 0.00 0.00 -0.90 3.11 6.46 -1.36 -3.23 115.31 119.39 2kfw h LEU 45 Ca -0.19 -0.38 0.21 0.00 -0.12 0.00 0.00 57.88 57.40 2kfw h LEU 45 Cb 1.91 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 41.67 2kfw h LEU 45 CO 0.09 0.93 -0.09 -0.33 -0.62 0.00 0.00 178.44 178.43 2kfw h GLU 46 N -1.00 0.03 0.00 1.25 5.08 -0.79 1.72 114.58 120.87 2kfw h GLU 46 Ca -0.09 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2kfw h GLU 46 Cb 0.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kfw h GLU 46 CO -0.05 0.02 -0.18 1.79 -1.00 0.00 0.00 179.01 179.58 2kfw h THR 47 N 0.03 0.92 0.00 1.13 1.35 -1.72 -2.02 112.91 112.60 2kfw h THR 47 Ca 0.49 -0.67 -0.08 0.00 -0.55 0.00 0.00 66.41 65.60 2kfw h THR 47 Cb 0.88 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 2kfw h THR 47 CO -0.87 0.18 -0.49 0.00 -0.25 0.00 0.00 175.52 174.08 2kfw h ALA 48 N 1.82 0.73 -0.03 6.62 0.00 0.24 -3.26 119.26 125.38 2kfw h ALA 48 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2kfw h ALA 48 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kfw h ALA 48 CO 0.02 0.50 -0.75 -0.07 0.00 0.00 0.00 179.25 178.95 2kfw h LEU 49 N 0.00 0.28 -9.10 0.00 3.38 0.02 -3.45 115.31 106.44 2kfw h LEU 49 Ca -0.02 -0.20 -0.70 0.00 0.09 0.00 0.00 57.88 57.06 2kfw h LEU 49 Cb 1.31 -0.08 0.08 0.00 0.09 0.00 0.00 40.66 42.06 2kfw h LEU 49 CO 0.05 0.93 -0.12 1.21 0.09 0.00 0.00 178.44 180.60 2kfw n GLU 50 N -3.76 0.35 -1.87 1.13 4.07 -1.10 -4.16 120.64 115.30 2kfw n GLU 50 Ca -0.03 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2kfw n GLU 50 Cb 0.72 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kfw n GLY 51 N 1.81 -4.85 0.00 8.31 0.00 -1.24 -4.93 105.19 104.29 2kfw n GLY 51 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.23 0.00 -2.90 1.61 -0.00 -1.26 -4.84 115.22 109.06 2kfw n HIS 52 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 2kfw n HIS 52 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 2kfw n HIS 52 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2kfw s GLU 53 N 0.00 4.67 -0.41 1.57 2.56 -1.26 -4.23 118.70 121.59 2kfw s GLU 53 Ca 0.00 1.27 -0.44 0.00 0.00 0.00 0.00 54.97 55.80 2kfw s GLU 53 Cb 0.00 -3.27 -0.18 0.00 2.00 0.00 0.00 34.13 32.68 2kfw s GLU 53 CO 0.00 0.54 1.71 0.28 -0.56 0.00 0.00 175.26 177.23 2kfw n VAL 54 N 1.61 0.12 0.00 3.70 0.31 -1.26 -0.39 118.33 122.42 2kfw n VAL 54 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2kfw n VAL 54 Cb 0.48 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2kfw n VAL 54 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kfw n GLY 55 N 4.39 0.81 3.86 2.92 0.00 0.26 -4.97 105.19 112.47 2kfw n GLY 55 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2kfw n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfw s ASP 56 N -1.81 6.26 0.07 1.61 1.11 0.47 -4.95 116.67 119.44 2kfw s ASP 56 Ca 0.00 0.42 -0.12 0.00 0.18 0.00 0.00 52.55 53.03 2kfw s ASP 56 Cb 0.00 -1.99 0.01 0.00 1.07 0.00 0.00 42.92 42.01 2kfw s ASP 56 CO 0.00 0.39 0.26 -1.59 1.18 0.00 0.00 175.17 175.41 2kfw s LYS 57 N -1.13 0.83 0.21 8.23 -2.85 -1.26 -1.37 119.74 122.40 2kfw s LYS 57 Ca 0.16 -0.70 -0.20 0.00 -1.00 0.00 0.00 55.97 54.23 2kfw s LYS 57 Cb -0.12 0.35 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2kfw s LYS 57 CO 0.06 -0.27 0.61 -0.59 0.10 0.00 0.00 175.35 175.26 2kfw s PHE 58 N -3.14 -0.27 -0.19 1.78 -0.71 -0.97 -4.98 117.98 109.50 2kfw s PHE 58 Ca -0.01 -0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 55.68 2kfw s PHE 58 Cb 0.01 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 2kfw s PHE 58 CO -0.07 -1.00 0.26 0.34 -1.34 0.00 0.00 175.22 173.41 2kfw s ASP 59 N -2.85 6.34 -0.14 1.98 2.15 -1.26 -1.96 116.67 120.94 2kfw s ASP 59 Ca 0.07 0.40 0.01 0.00 0.43 0.00 0.00 52.55 53.46 2kfw s ASP 59 Cb -0.03 -2.16 0.02 0.00 -0.30 0.00 0.00 42.92 40.45 2kfw s ASP 59 CO -0.03 0.07 -0.17 0.54 -0.17 0.00 0.00 175.17 175.41 2kfw s VAL 60 N 0.72 1.73 -0.38 1.11 0.11 -1.06 -4.98 120.40 117.65 2kfw s VAL 60 Ca 0.14 -0.76 -0.19 0.00 -2.93 0.00 0.00 61.98 58.24 2kfw s VAL 60 Cb -0.13 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.15 2kfw s VAL 60 CO 0.04 0.49 0.56 0.00 -3.33 0.00 0.00 175.10 172.85 2kfw s ALA 61 N 1.13 3.44 -0.28 1.54 0.00 -1.26 -3.04 121.76 123.29 2kfw s ALA 61 Ca -0.02 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2kfw s ALA 61 Cb -0.14 -3.11 0.16 0.00 0.00 0.00 0.00 23.12 20.03 2kfw s ALA 61 CO -0.06 -1.39 0.44 0.08 0.00 0.00 0.00 175.76 174.82 2kfw s VAL 62 N 2.53 -0.69 0.00 0.00 1.01 0.29 -4.90 120.40 118.64 2kfw s VAL 62 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kfw s VAL 62 Cb -0.15 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2kfw s VAL 62 CO 0.15 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2kfw n GLY 63 N 5.37 0.09 0.12 4.51 0.00 -1.25 -4.05 105.19 109.99 2kfw n GLY 63 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw h ALA 64 N 0.00 0.69 0.00 4.61 0.00 -1.86 -0.48 119.26 122.23 2kfw h ALA 64 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 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 -0.76 -0.97 0.00 0.00 0.00 179.25 177.52 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -1.24 -1.86 -3.31 115.58 109.17 2kfw h ASN 65 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2kfw h ASN 65 Cb 0.89 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.82 2kfw h ASN 65 CO 0.00 0.67 -0.09 -0.67 -1.29 0.00 0.00 177.43 176.05 2kfw n ASP 66 N -3.23 -1.53 0.00 1.15 2.03 -1.24 -5.00 116.55 108.73 2kfw n ASP 66 Ca -0.00 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.23 2kfw n ASP 66 Cb 0.81 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 42.22 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N 1.25 0.00 -1.48 -1.67 0.00 -0.81 -3.51 120.51 114.28 2kfw n ALA 67 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 2kfw n ALA 67 Cb 0.71 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.27 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 2.63 0.00 0.00 4.01 -1.20 -4.88 117.16 117.72 2kfw n TYR 68 Ca 0.00 -2.33 0.00 0.00 -0.16 0.00 0.00 57.90 55.41 2kfw n TYR 68 Cb 0.00 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 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 -0.97 1.10 0.00 2.72 0.00 -0.25 -4.94 105.19 102.85 2kfw n GLY 69 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2kfw n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLN 70 N 0.00 0.00 -3.04 1.61 10.64 -1.26 -4.88 117.38 120.45 2kfw n GLN 70 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 2kfw n GLN 70 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 2kfw n GLN 70 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2kfw s TYR 71 N 2.06 3.69 -0.97 2.61 -0.85 -1.26 -4.78 117.35 117.84 2kfw s TYR 71 Ca 0.00 1.47 -0.01 0.00 -0.52 0.00 0.00 57.07 58.01 2kfw s TYR 71 Cb 0.00 -2.68 0.30 0.00 0.38 0.00 0.00 41.96 39.96 2kfw s TYR 71 CO 0.00 0.34 1.31 -0.40 -1.52 0.00 0.00 175.55 175.29 2kfw n ASP 72 N 0.81 5.81 0.00 -0.18 5.68 -1.25 -4.09 116.55 123.34 2kfw n ASP 72 Ca -0.02 -3.43 0.05 0.00 -0.50 0.00 0.00 54.79 50.89 2kfw n ASP 72 Cb 0.51 -1.12 0.27 0.00 -1.14 0.00 0.00 41.12 39.63 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kfw n GLU 73 N 1.16 0.12 0.00 0.11 1.02 -1.26 -2.80 120.64 118.99 2kfw n GLU 73 Ca 0.27 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.66 2kfw n GLU 73 Cb 0.35 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.47 2kfw n GLU 73 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kfw n ASN 74 N -1.33 0.00 0.01 1.62 6.94 -1.21 -3.52 115.26 117.77 2kfw n ASN 74 Ca 0.05 -0.51 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 2kfw n ASN 74 Cb 0.10 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.53 2kfw n ASN 74 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2kfw n LEU 75 N -0.80 0.01 -4.52 -4.53 0.00 -1.12 -4.68 117.00 101.36 2kfw n LEU 75 Ca 0.05 0.35 -0.36 0.00 0.00 0.00 0.00 56.01 56.05 2kfw n LEU 75 Cb 0.02 -0.35 0.08 0.00 0.00 0.00 0.00 43.42 43.17 2kfw n LEU 75 CO 0.04 -0.36 0.24 0.55 0.00 0.00 0.00 177.39 177.87 2kfw n VAL 76 N -1.37 2.15 -4.23 1.96 3.14 -1.23 -5.00 118.33 113.74 2kfw n VAL 76 Ca -0.00 -0.39 -0.19 0.00 -2.96 0.00 0.00 64.34 60.80 2kfw n VAL 76 Cb 0.16 -0.87 -0.12 0.00 -1.06 0.00 0.00 33.84 31.95 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2kfw s GLN 77 N -2.97 0.98 -0.34 1.45 0.74 -1.13 -5.04 119.66 113.36 2kfw s GLN 77 Ca 0.68 -1.14 -0.11 0.00 0.05 0.00 0.00 55.36 54.84 2kfw s GLN 77 Cb -0.35 -0.99 -0.00 0.00 1.10 0.00 0.00 33.01 32.77 2kfw s GLN 77 CO 0.55 0.21 0.20 1.03 -0.55 0.00 0.00 175.29 176.73 2kfw s ARG 78 N -2.22 3.25 -0.04 1.67 0.52 -1.26 -3.11 118.95 117.76 2kfw s ARG 78 Ca 0.05 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2kfw s ARG 78 Cb -0.08 -3.70 0.03 0.00 0.52 0.00 0.00 34.95 31.72 2kfw s ARG 78 CO 0.03 -0.51 0.03 0.14 0.02 0.00 0.00 175.30 175.01 2kfw s VAL 79 N 1.64 0.07 0.90 3.52 -7.23 -0.72 -4.98 120.40 113.60 2kfw s VAL 79 Ca 0.05 0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.34 2kfw s VAL 79 Cb -0.18 -0.25 0.13 0.00 0.56 0.00 0.00 36.38 36.64 2kfw s VAL 79 CO 0.08 0.17 1.11 -2.16 -0.31 0.00 0.00 175.10 173.99 2kfw s PRO 80 N 1.65 1.24 0.00 4.82 0.04 -1.26 -2.28 135.00 139.21 2kfw s PRO 80 Ca -0.01 0.50 0.08 0.00 0.04 0.00 0.00 61.00 61.61 2kfw s PRO 80 Cb -0.13 -1.83 0.37 0.00 0.04 0.00 0.00 34.50 32.95 2kfw s PRO 80 CO -0.03 -2.17 1.22 1.17 0.04 0.00 0.00 177.00 177.23 2kfw n LYS 81 N -3.79 0.04 -0.07 4.56 4.81 -1.26 -1.82 118.16 120.63 2kfw n LYS 81 Ca 0.06 0.31 0.03 0.00 -0.87 0.00 0.00 58.31 57.85 2kfw n LYS 81 Cb 0.57 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 34.25 2kfw n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kfw n ASP 82 N -1.43 0.74 -0.06 3.14 2.03 -1.26 -3.29 116.55 116.41 2kfw n ASP 82 Ca 0.03 -1.93 0.01 0.00 0.52 0.00 0.00 54.79 53.43 2kfw n ASP 82 Cb 0.09 -0.09 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kfw n ASP 82 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kfw n VAL 83 N -0.13 0.00 0.00 5.18 0.31 -0.76 -4.89 118.33 118.04 2kfw n VAL 83 Ca 0.06 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2kfw n VAL 83 Cb 0.13 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.09 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 -0.49 0.00 0.00 3.52 3.72 -1.21 -5.07 117.46 117.93 2kfw n PHE 84 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2kfw n PHE 84 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.00 0.00 0.00 -1.08 0.00 -1.26 -4.96 117.12 109.82 2kfw n MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2kfw n MET 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2kfw n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kfw n GLY 86 N 0.00 0.51 3.47 -5.12 0.00 -1.26 -4.99 105.19 97.80 2kfw n GLY 86 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.12 0.00 1.44 1.61 0.24 -1.26 -4.70 118.33 114.54 2kfw n VAL 87 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.45 2kfw n VAL 87 Cb 0.00 -0.27 0.76 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.81 0.03 -2.74 -1.34 8.00 -1.26 -3.91 116.55 113.52 2kfw n ASP 88 Ca 0.07 -0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.35 2kfw n ASP 88 Cb 0.42 -0.26 0.09 0.00 -0.02 0.00 0.00 41.12 41.35 2kfw n ASP 88 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kfw n GLU 89 N -1.26 1.52 -2.96 -1.24 0.28 -1.26 -5.09 120.64 110.63 2kfw n GLU 89 Ca 0.15 -2.24 -0.42 0.00 -0.16 0.00 0.00 57.16 54.48 2kfw n GLU 89 Cb 0.24 -0.48 -0.05 0.00 1.43 0.00 0.00 31.44 32.58 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2kfw s LEU 90 N -3.95 4.11 -0.28 -1.84 1.98 -1.25 -4.96 118.68 112.48 2kfw s LEU 90 Ca 0.17 0.53 -0.26 0.00 -2.89 0.00 0.00 54.13 51.69 2kfw s LEU 90 Cb 0.39 -3.04 0.16 0.00 0.66 0.00 0.00 46.19 44.36 2kfw s LEU 90 CO -0.09 -0.65 1.22 -1.58 -1.89 0.00 0.00 176.35 173.37 2kfw s GLN 91 N 2.98 0.29 0.24 1.98 2.00 -1.26 -5.10 119.66 120.80 2kfw s GLN 91 Ca 0.31 0.30 -0.28 0.00 -2.00 0.00 0.00 55.36 53.69 2kfw s GLN 91 Cb -0.14 0.14 -0.16 0.00 0.80 0.00 0.00 33.01 33.66 2kfw s GLN 91 CO 0.14 -0.04 0.78 1.55 -0.50 0.00 0.00 175.29 177.22 2kfw n VAL 92 N 1.73 1.92 0.00 1.34 3.14 -1.26 -2.51 118.33 122.69 2kfw n VAL 92 Ca -0.11 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2kfw n VAL 92 Cb 0.57 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 2kfw n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kfw n GLY 93 N 1.63 0.65 3.73 7.55 0.00 -1.20 -5.08 105.19 112.47 2kfw n GLY 93 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.05 -0.16 1.61 0.00 -1.04 -5.01 119.30 117.16 2kfw s MET 94 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 55.69 55.17 2kfw s MET 94 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 34.83 31.93 2kfw s MET 94 CO 0.00 0.69 0.22 0.50 0.00 0.00 0.00 175.02 176.43 2kfw s ARG 95 N -1.17 4.10 0.19 4.11 3.00 -1.26 -2.56 118.95 125.36 2kfw s ARG 95 Ca 0.16 -0.04 0.07 0.00 -1.00 0.00 0.00 55.73 54.92 2kfw s ARG 95 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 34.95 31.41 2kfw s ARG 95 CO 0.06 0.36 0.09 0.12 0.00 0.00 0.00 175.30 175.93 2kfw s PHE 96 N 0.14 3.00 0.06 5.12 2.19 -1.08 -4.95 117.98 122.45 2kfw s PHE 96 Ca 0.13 -0.09 0.06 0.00 0.33 0.00 0.00 56.93 57.36 2kfw s PHE 96 Cb -0.12 -1.42 -0.04 0.00 -1.31 0.00 0.00 43.02 40.13 2kfw s PHE 96 CO 0.02 0.53 -0.12 -0.48 1.83 0.00 0.00 175.22 177.00 2kfw s LEU 97 N -3.23 2.90 -0.06 6.12 2.34 -1.26 0.55 118.68 126.05 2kfw s LEU 97 Ca 0.30 -0.35 0.02 0.00 0.06 0.00 0.00 54.13 54.16 2kfw s LEU 97 Cb -0.09 -1.70 0.02 0.00 -0.56 0.00 0.00 46.19 43.85 2kfw s LEU 97 CO 0.22 0.23 -0.08 0.00 -1.06 0.00 0.00 176.35 175.65 2kfw s ALA 98 N -1.06 0.99 -0.83 1.48 0.00 -0.73 -4.82 121.76 116.80 2kfw s ALA 98 Ca 0.18 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2kfw s ALA 98 Cb -0.11 -0.51 0.24 0.00 0.00 0.00 0.00 23.12 22.73 2kfw s ALA 98 CO 0.09 0.03 0.85 0.39 0.00 0.00 0.00 175.76 177.12 2kfw n GLU 99 N 3.97 2.80 -1.27 0.00 1.02 -1.26 0.85 120.64 126.74 2kfw n GLU 99 Ca -0.23 -4.55 -0.30 0.00 -0.02 0.00 0.00 57.16 52.05 2kfw n GLU 99 Cb 0.51 -2.37 0.12 0.00 -0.02 0.00 0.00 31.44 29.68 2kfw n GLU 99 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2kfw s THR 100 N -1.94 2.95 -0.31 2.62 -4.23 -1.15 -4.88 115.64 108.70 2kfw s THR 100 Ca 0.31 0.31 0.26 0.00 -1.18 0.00 0.00 61.69 61.40 2kfw s THR 100 Cb 0.02 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.30 2kfw s THR 100 CO -0.06 -0.40 1.79 -0.78 -0.54 0.00 0.00 174.62 174.62 2kfw h ASP 101 N -1.34 0.00 -0.39 3.99 1.82 -2.03 -2.24 116.42 116.23 2kfw h ASP 101 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2kfw h ASP 101 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2kfw h ASP 101 CO 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.17 2kfw n GLN 102 N -2.45 2.31 0.00 0.28 10.64 -1.26 -4.97 117.38 121.93 2kfw n GLN 102 Ca 0.01 -1.57 0.00 0.00 -1.83 0.00 0.00 57.00 53.61 2kfw n GLN 102 Cb 0.23 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 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 0.93 3.75 3.70 2.61 0.00 -0.84 -5.05 105.19 110.29 2kfw n GLY 103 Ca 0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -3.97 4.35 -0.13 1.61 0.04 -1.26 -2.95 135.00 132.69 2kfw s PRO 104 Ca 0.00 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2kfw s PRO 104 Cb 0.00 -3.46 0.06 0.00 0.04 0.00 0.00 34.50 31.14 2kfw s PRO 104 CO 0.00 -0.42 0.11 0.54 0.04 0.00 0.00 177.00 177.27 2kfw s VAL 105 N 1.76 -0.15 0.80 -0.36 0.11 0.25 -4.94 120.40 117.86 2kfw s VAL 105 Ca 0.60 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 2kfw s VAL 105 Cb -0.30 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 34.18 2kfw s VAL 105 CO 0.27 -0.09 1.09 -2.16 -3.33 0.00 0.00 175.10 170.87 2kfw s PRO 106 N 2.20 2.09 0.38 1.54 0.04 -1.26 -1.77 135.00 138.23 2kfw s PRO 106 Ca 0.04 0.85 0.05 0.00 0.04 0.00 0.00 61.00 61.98 2kfw s PRO 106 Cb -0.14 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2kfw s PRO 106 CO -0.07 -1.67 0.19 1.33 0.04 0.00 0.00 177.00 176.82 2kfw n VAL 107 N -3.50 0.00 -4.03 -0.36 0.24 0.19 -4.74 118.33 106.13 2kfw n VAL 107 Ca 0.07 -2.39 -0.19 0.00 -2.04 0.00 0.00 64.34 59.80 2kfw n VAL 107 Cb 0.55 0.97 -0.16 0.00 -1.47 0.00 0.00 33.84 33.72 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 -3.49 0.57 -0.71 7.34 2.12 -1.15 -2.65 118.70 120.74 2kfw s GLU 108 Ca 0.27 -0.01 -0.27 0.00 0.36 0.00 0.00 54.97 55.32 2kfw s GLU 108 Cb 0.01 -0.68 0.03 0.00 0.26 0.00 0.00 34.13 33.75 2kfw s GLU 108 CO 0.19 -0.12 1.24 0.42 -0.54 0.00 0.00 175.26 176.45 2kfw s ILE 109 N 1.04 3.81 -0.04 -3.70 1.01 -1.06 0.15 121.20 122.40 2kfw s ILE 109 Ca -0.09 0.45 0.09 0.00 0.00 0.00 0.00 60.65 61.10 2kfw s ILE 109 Cb -0.14 -4.87 -0.23 0.00 0.01 0.00 0.00 42.46 37.23 2kfw s ILE 109 CO -0.01 -1.74 0.67 0.00 0.00 0.00 0.00 174.94 173.85 2kfw h THR 110 N 6.05 0.87 -2.57 2.92 1.03 -1.85 -3.17 112.91 116.19 2kfw h THR 110 Ca -0.28 -2.70 -0.10 0.00 -0.01 0.00 0.00 66.41 63.33 2kfw h THR 110 Cb 1.05 2.46 -0.23 0.00 -1.07 0.00 0.00 68.15 70.37 2kfw h THR 110 CO 1.26 0.57 -0.14 0.00 -0.01 0.00 0.00 175.52 177.20 2kfw s ALA 111 N -2.60 -1.20 -0.16 0.00 0.00 -1.24 -4.85 121.76 111.70 2kfw s ALA 111 Ca -0.07 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.17 2kfw s ALA 111 Cb 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2kfw s ALA 111 CO 0.82 -0.24 -0.17 0.08 0.00 0.00 0.00 175.76 176.25 2kfw s VAL 112 N 0.01 1.79 0.33 0.00 1.01 -1.26 -2.41 120.40 119.88 2kfw s VAL 112 Ca -0.02 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2kfw s VAL 112 Cb -0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2kfw s VAL 112 CO 0.02 0.48 0.32 -1.61 0.00 0.00 0.00 175.10 174.31 2kfw s GLU 113 N 1.40 2.80 0.21 2.72 8.01 0.45 -4.96 118.70 129.33 2kfw s GLU 113 Ca 0.05 -1.24 -0.31 0.00 0.01 0.00 0.00 54.97 53.48 2kfw s GLU 113 Cb -0.13 -2.54 -0.11 0.00 -4.31 0.00 0.00 34.13 27.04 2kfw s GLU 113 CO -0.12 0.10 1.63 -0.51 0.01 0.00 0.00 175.26 176.36 2kfw s ASP 114 N -4.03 6.47 -1.17 -0.19 1.01 -1.26 -1.61 116.67 115.89 2kfw s ASP 114 Ca 0.41 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.46 2kfw s ASP 114 Cb -0.06 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2kfw s ASP 114 CO 0.27 -0.89 0.00 -0.67 0.21 0.00 0.00 175.17 174.09 2kfw n ASP 115 N 3.51 -3.02 -3.64 0.27 2.03 -1.26 -4.85 116.55 109.59 2kfw n ASP 115 Ca 0.13 0.27 -0.07 0.00 0.52 0.00 0.00 54.79 55.64 2kfw n ASP 115 Cb 0.37 -2.87 -0.07 0.00 -0.72 0.00 0.00 41.12 37.84 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 -2.01 -0.76 0.11 -0.67 2.46 -0.64 -4.46 115.29 109.32 2kfw s HIS 116 Ca 0.00 1.62 -0.03 0.00 0.47 0.00 0.00 55.06 57.12 2kfw s HIS 116 Cb 0.00 0.44 -0.03 0.00 -0.13 0.00 0.00 32.58 32.85 2kfw s HIS 116 CO 0.00 -0.37 0.07 0.08 -2.47 0.00 0.00 174.74 172.05 2kfw s VAL 117 N 1.07 0.14 -0.07 0.89 1.01 -0.97 0.17 120.40 122.65 2kfw s VAL 117 Ca -0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.15 2kfw s VAL 117 Cb -0.05 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.58 2kfw s VAL 117 CO -0.12 -0.63 0.05 -0.69 0.00 0.00 0.00 175.10 173.70 2kfw s VAL 118 N -3.98 0.05 -0.11 2.92 1.01 -1.01 -1.75 120.40 117.53 2kfw s VAL 118 Ca 0.16 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2kfw s VAL 118 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2kfw s VAL 118 CO -0.03 0.15 -0.11 0.68 0.00 0.00 0.00 175.10 175.78 2kfw s VAL 119 N 2.10 3.28 -0.05 2.92 -7.23 -1.18 -3.26 120.40 116.99 2kfw s VAL 119 Ca 0.05 -0.60 -0.13 0.00 -1.81 0.00 0.00 61.98 59.48 2kfw s VAL 119 Cb -0.13 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2kfw s VAL 119 CO -0.04 0.54 0.29 1.51 -0.31 0.00 0.00 175.10 177.10 2kfw s ASP 120 N -0.05 -0.21 -0.02 4.85 -4.77 0.39 -2.84 116.67 114.01 2kfw s ASP 120 Ca -0.02 0.23 0.12 0.00 -3.30 0.00 0.00 52.55 49.59 2kfw s ASP 120 Cb -0.14 0.41 -0.19 0.00 -1.09 0.00 0.00 42.92 41.91 2kfw s ASP 120 CO 0.04 -0.33 0.27 0.61 0.70 0.00 0.00 175.17 176.45 2kfw n GLY 121 N 1.82 -0.56 3.77 2.12 0.00 -1.26 -2.92 105.19 108.15 2kfw n GLY 121 Ca -0.19 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2kfw n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kfw s ASN 122 N -3.44 4.17 0.35 1.61 0.02 -1.26 -5.00 114.94 111.39 2kfw s ASN 122 Ca -0.05 -1.57 -0.27 0.00 -1.02 0.00 0.00 52.86 49.95 2kfw s ASN 122 Cb 0.08 0.41 -0.09 0.00 0.02 0.00 0.00 41.25 41.67 2kfw s ASN 122 CO 0.51 -0.84 1.17 -1.00 0.02 0.00 0.00 177.10 176.96 2kfw s HIS 123 N -2.85 3.23 -0.92 2.20 3.76 -1.26 -4.87 115.29 114.59 2kfw s HIS 123 Ca 0.12 1.57 0.25 0.00 -0.15 0.00 0.00 55.06 56.86 2kfw s HIS 123 Cb 0.02 -3.40 1.02 0.00 1.11 0.00 0.00 32.58 31.33 2kfw s HIS 123 CO 0.07 -1.16 1.80 -1.33 -0.85 0.00 0.00 174.74 173.27 2kfw n MET 124 N 0.55 0.06 0.03 1.40 0.00 -1.26 -3.30 117.12 114.59 2kfw n MET 124 Ca 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 57.70 57.80 2kfw n MET 124 Cb 0.45 -1.58 -0.02 0.00 0.00 0.00 0.00 33.22 32.07 2kfw n MET 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2kfw h LEU 125 N 0.00 -0.27 -8.92 4.03 5.85 -1.90 -3.42 115.31 110.68 2kfw h LEU 125 Ca 0.00 0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.51 2kfw h LEU 125 Cb 0.49 0.10 0.13 0.00 0.37 0.00 0.00 40.66 41.75 2kfw h LEU 125 CO 0.00 -0.10 -0.62 0.00 -0.34 0.00 0.00 178.44 177.38 2kfw n ALA 126 N -2.49 -0.69 0.00 1.25 0.00 -1.26 -3.83 120.51 113.49 2kfw n ALA 126 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2kfw n ALA 126 Cb 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 2.62 3.05 2.29 0.00 0.00 -1.26 -3.81 105.19 108.08 2kfw n GLY 127 Ca 0.03 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2kfw n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 128 N 0.00 1.06 0.04 1.61 6.02 -1.25 -3.86 117.38 121.00 2kfw n GLN 128 Ca 0.00 -3.56 0.09 0.00 -0.01 0.00 0.00 57.00 53.52 2kfw n GLN 128 Cb 0.00 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 29.66 2kfw n GLN 128 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kfw n ASN 129 N 1.48 0.49 -3.98 1.08 2.85 -1.26 -4.82 115.26 111.10 2kfw n ASN 129 Ca 0.24 0.19 -0.20 0.00 -0.11 0.00 0.00 54.58 54.70 2kfw n ASN 129 Cb 0.49 1.02 -0.16 0.00 1.24 0.00 0.00 39.78 42.38 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kfw s LEU 130 N -5.11 1.74 -0.08 1.20 1.02 -1.26 -4.37 118.68 111.83 2kfw s LEU 130 Ca -0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 2kfw s LEU 130 Cb 0.11 -0.52 0.03 0.00 0.02 0.00 0.00 46.19 45.82 2kfw s LEU 130 CO 0.84 0.05 -0.03 -0.75 0.02 0.00 0.00 176.35 176.48 2kfw s LYS 131 N 0.27 0.89 -0.09 1.70 2.20 -1.17 -0.55 119.74 122.99 2kfw s LYS 131 Ca -0.04 -0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.44 2kfw s LYS 131 Cb -0.09 -1.10 0.03 0.00 -1.51 0.00 0.00 37.83 35.16 2kfw s LYS 131 CO 0.00 -0.24 0.28 -0.59 -0.36 0.00 0.00 175.35 174.44 2kfw s PHE 132 N 1.67 -0.28 -0.19 4.03 -0.12 -1.17 -1.09 117.98 120.82 2kfw s PHE 132 Ca 0.01 0.67 -0.14 0.00 -0.05 0.00 0.00 56.93 57.43 2kfw s PHE 132 Cb -0.13 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2kfw s PHE 132 CO -0.05 -0.18 0.30 1.21 -0.05 0.00 0.00 175.22 176.46 2kfw s ASN 133 N -0.06 6.37 -0.07 1.98 2.47 -1.01 -2.57 114.94 122.05 2kfw s ASN 133 Ca -0.02 0.42 0.01 0.00 0.42 0.00 0.00 52.86 53.70 2kfw s ASN 133 Cb -0.03 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 2kfw s ASN 133 CO 0.01 0.02 -0.08 0.68 -3.72 0.00 0.00 177.10 174.01 2kfw s VAL 134 N 0.92 3.61 -0.11 -5.21 -7.23 -0.83 -2.76 120.40 108.80 2kfw s VAL 134 Ca 0.15 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 2kfw s VAL 134 Cb -0.14 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2kfw s VAL 134 CO 0.05 0.60 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.62 2kfw s GLU 135 N -0.80 1.98 0.20 4.82 -6.30 -0.66 -2.29 118.70 115.66 2kfw s GLU 135 Ca 0.12 -0.46 -0.30 0.00 -2.50 0.00 0.00 54.97 51.83 2kfw s GLU 135 Cb -0.11 -1.79 -0.08 0.00 0.00 0.00 0.00 34.13 32.15 2kfw s GLU 135 CO 0.01 -0.14 1.04 0.08 0.02 0.00 0.00 175.26 176.26 2kfw s VAL 136 N 1.24 3.94 -0.07 3.70 1.01 -0.47 -2.68 120.40 127.06 2kfw s VAL 136 Ca -0.02 1.79 0.08 0.00 0.00 0.00 0.00 61.98 63.83 2kfw s VAL 136 Cb -0.14 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2kfw s VAL 136 CO -0.05 0.36 0.05 0.52 0.00 0.00 0.00 175.10 175.99 2kfw n VAL 137 N 1.95 0.50 -3.65 2.92 0.31 -0.31 -0.57 118.33 119.47 2kfw n VAL 137 Ca 0.01 -0.34 -0.07 0.00 -0.01 0.00 0.00 64.34 63.93 2kfw n VAL 137 Cb 0.47 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.75 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 -2.26 -1.60 -0.28 3.52 0.00 -1.25 -4.61 121.76 115.28 2kfw s ALA 138 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2kfw s ALA 138 Cb 0.03 0.67 0.14 0.00 0.00 0.00 0.00 23.12 23.96 2kfw s ALA 138 CO 0.35 -0.91 0.35 0.42 0.00 0.00 0.00 175.76 175.97 2kfw s ILE 139 N -3.45 -0.52 0.16 0.00 1.01 -1.25 -3.42 121.20 113.73 2kfw s ILE 139 Ca 0.08 -0.33 0.10 0.00 0.00 0.00 0.00 60.65 60.50 2kfw s ILE 139 Cb -0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2kfw s ILE 139 CO -0.02 -0.33 -0.19 -0.13 0.00 0.00 0.00 174.94 174.26 2kfw s ARG 140 N 2.46 1.72 0.07 2.79 1.81 -0.01 -4.87 118.95 122.92 2kfw s ARG 140 Ca 0.10 -1.33 -0.30 0.00 -1.72 0.00 0.00 55.73 52.48 2kfw s ARG 140 Cb -0.14 -2.01 -0.05 0.00 -0.45 0.00 0.00 34.95 32.30 2kfw s ARG 140 CO -0.29 0.44 0.98 -2.00 -0.68 0.00 0.00 175.30 173.76 2kfw s GLU 141 N -2.45 4.63 0.20 3.54 2.12 -1.26 0.28 118.70 125.75 2kfw s GLU 141 Ca 0.20 1.46 -0.16 0.00 0.36 0.00 0.00 54.97 56.83 2kfw s GLU 141 Cb -0.09 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.82 2kfw s GLU 141 CO 0.11 0.09 0.63 0.00 -0.54 0.00 0.00 175.26 175.54 2kfw s ALA 142 N 0.43 3.49 0.97 6.30 0.00 -0.69 -4.80 121.76 127.47 2kfw s ALA 142 Ca 0.49 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 2kfw s ALA 142 Cb -0.23 -2.64 0.17 0.00 0.00 0.00 0.00 23.12 20.42 2kfw s ALA 142 CO 0.29 0.40 1.15 0.99 0.00 0.00 0.00 175.76 178.59 2kfw s THR 143 N -1.56 1.94 0.45 0.00 2.01 -1.26 -4.73 115.64 112.49 2kfw s THR 143 Ca 0.42 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.63 2kfw s THR 143 Cb -0.15 -2.70 0.40 0.00 0.01 0.00 0.00 72.50 70.06 2kfw s THR 143 CO 0.20 0.00 1.89 -0.08 -0.69 0.00 0.00 174.62 175.93 2kfw h GLU 144 N -1.73 0.28 -0.31 4.92 4.57 -1.98 -0.20 114.58 120.14 2kfw h GLU 144 Ca -0.50 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.56 2kfw h GLU 144 Cb 1.32 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2kfw h GLU 144 CO 0.55 0.19 -0.21 1.49 -1.18 0.00 0.00 179.01 179.85 2kfw h GLU 145 N 0.29 0.69 -0.36 1.92 4.57 -1.96 0.24 114.58 119.96 2kfw h GLU 145 Ca 0.42 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2kfw h GLU 145 Cb 1.20 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2kfw h GLU 145 CO -0.12 0.93 0.19 0.93 -1.18 0.00 0.00 179.01 179.76 2kfw h GLU 146 N 0.44 0.38 0.00 1.92 3.07 -1.21 -1.29 114.58 117.89 2kfw h GLU 146 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2kfw h GLU 146 Cb 0.76 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2kfw h GLU 146 CO 0.06 0.25 -0.10 1.28 -1.40 0.00 0.00 179.01 179.10 2kfw n LEU 147 N -4.92 0.10 0.11 1.33 4.77 -0.95 0.11 117.00 117.55 2kfw n LEU 147 Ca 0.01 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2kfw n LEU 147 Cb 0.08 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 2kfw n LEU 147 CO 0.31 0.02 0.60 0.00 -1.33 0.00 0.00 177.39 177.00 2kfw h ALA 148 N 3.00 -0.28 0.00 -1.18 0.00 0.71 -3.36 119.26 118.15 2kfw h ALA 148 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kfw h ALA 148 Cb 0.50 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kfw h ALA 148 CO 0.00 -0.49 -0.67 -2.39 0.00 0.00 0.00 179.25 175.70 2kfw n HIS 149 N -5.07 0.00 0.00 0.00 -0.00 -1.15 -5.04 115.22 103.96 2kfw n HIS 149 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2kfw n HIS 149 Cb 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 2kfw n HIS 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 150 N 1.42 0.78 3.82 -1.39 0.00 0.08 -5.12 105.19 104.78 2kfw n GLY 150 Ca 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.25 0.04 0.01 1.61 3.76 0.30 -4.95 115.29 114.81 2kfw s HIS 151 Ca 0.00 -0.66 0.07 0.00 -0.15 0.00 0.00 55.06 54.32 2kfw s HIS 151 Cb 0.00 0.80 -0.02 0.00 1.11 0.00 0.00 32.58 34.47 2kfw s HIS 151 CO 0.00 -1.46 -0.22 0.08 -0.85 0.00 0.00 174.74 172.29 2kfw s VAL 152 N -2.68 1.73 -0.51 -0.90 1.01 -1.26 -4.18 120.40 113.60 2kfw s VAL 152 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2kfw s VAL 152 Cb -0.05 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2kfw s VAL 152 CO 0.10 0.35 0.00 1.57 0.00 0.00 0.00 175.10 177.12 2kfw n HIS 153 N 2.18 0.00 -0.76 5.22 -0.00 -1.26 -3.84 115.22 116.77 2kfw n HIS 153 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2kfw n HIS 153 Cb 0.53 -1.82 0.00 0.00 -0.12 0.00 0.00 29.99 28.58 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 154 N -0.47 0.04 2.41 1.57 0.00 -1.26 -4.89 105.19 102.59 2kfw n GLY 154 Ca -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N -0.29 -2.08 -0.21 4.61 0.00 -1.25 -4.87 120.51 116.41 2kfw n ALA 155 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 2kfw n ALA 155 Cb 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2kfw n ALA 155 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfw n HIS 156 N 1.92 0.00 -0.08 0.00 -0.00 -1.25 -4.42 115.22 111.39 2kfw n HIS 156 Ca -0.09 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.00 2kfw n HIS 156 Cb 0.15 -0.39 -0.03 0.00 -0.12 0.00 0.00 29.99 29.59 2kfw n HIS 156 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kfw n ASP 157 N -1.97 1.84 0.00 0.26 -0.08 -1.26 -5.06 116.55 110.28 2kfw n ASP 157 Ca 0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2kfw n ASP 157 Cb 0.00 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 42.60 2kfw n ASP 157 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2kfw n HIS 158 N -4.55 0.00 -3.38 -0.67 -0.00 -1.26 -5.10 115.22 100.26 2kfw n HIS 158 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2kfw n HIS 158 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 2kfw n HIS 158 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kfw n HIS 159 N 0.00 -0.08 -2.31 1.57 1.44 -1.26 -4.96 115.22 109.62 2kfw n HIS 159 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 2kfw n HIS 159 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 2kfw n HIS 159 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kfw n HIS 160 N 0.00 -4.01 -4.81 -1.40 -0.00 -1.26 -4.78 115.22 98.96 2kfw n HIS 160 Ca 0.00 2.36 0.00 0.00 -0.00 0.00 0.00 57.72 60.08 2kfw n HIS 160 Cb 0.00 -3.59 0.00 0.00 -0.00 0.00 0.00 29.99 26.40 2kfw n HIS 160 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2kfw n ASP 161 N 1.52 0.00 -0.02 0.26 -0.08 -1.26 -4.38 116.55 112.59 2kfw n ASP 161 Ca -0.20 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.07 2kfw n ASP 161 Cb 0.31 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.77 2kfw n ASP 161 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2kfw n HIS 162 N 4.76 0.23 -3.62 -0.67 -0.00 -1.26 -5.08 115.22 109.58 2kfw n HIS 162 Ca 0.00 0.10 -0.06 0.00 -0.00 0.00 0.00 57.72 57.76 2kfw n HIS 162 Cb 0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.99 29.58 2kfw n HIS 162 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2kfw s ASP 163 N -4.17 -0.18 -0.68 0.26 -4.77 -1.26 -4.68 116.67 101.19 2kfw s ASP 163 Ca -0.04 0.21 -0.26 0.00 -3.30 0.00 0.00 52.55 49.16 2kfw s ASP 163 Cb 0.01 0.17 0.04 0.00 -1.09 0.00 0.00 42.92 42.04 2kfw s ASP 163 CO 0.07 -0.16 1.17 -2.28 0.70 0.00 0.00 175.17 174.66 2kfw s HIS 164 N -0.97 2.46 -0.04 2.11 2.46 -1.26 -4.62 115.29 115.44 2kfw s HIS 164 Ca 0.04 -0.08 -0.04 0.00 0.47 0.00 0.00 55.06 55.45 2kfw s HIS 164 Cb -0.01 -4.49 0.01 0.00 -0.13 0.00 0.00 32.58 27.96 2kfw s HIS 164 CO -0.04 -1.85 0.07 -0.25 -2.47 0.00 0.00 174.74 170.20 2kfw n ASP 165 N 8.70 -6.88 -3.23 9.88 9.92 -1.26 -4.98 116.55 128.70 2kfw n ASP 165 Ca 0.02 1.70 0.00 0.00 -0.53 0.00 0.00 54.79 55.98 2kfw n ASP 165 Cb 0.48 -5.18 0.00 0.00 -0.64 0.00 0.00 41.12 35.78 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 1.77 -2.70 2.75 0.44 0.00 -1.26 -4.97 105.19 101.22 2kfw n GLY 166 Ca -0.12 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 2kfw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 169 N 0.00 6.82 3.88 0.00 0.00 -0.97 -4.78 105.19 110.14 2kfw n GLY 169 Ca 0.00 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 2kfw n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 170 N -0.26 2.17 0.00 -0.02 0.00 -1.26 -4.88 107.32 103.06 2kfw s GLY 170 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2kfw s GLY 170 CO 0.00 -0.38 0.00 -2.39 0.00 0.00 0.00 173.10 170.33 2kfw n HIS 171 N 1.92 -1.40 0.00 1.90 -0.00 -1.26 -4.69 115.22 111.70 2kfw n HIS 171 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2kfw n HIS 171 Cb 0.55 0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 172 N -1.32 1.97 1.06 -1.39 0.00 -1.26 -3.84 105.19 100.41 2kfw n GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfw n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 173 N 0.00 -1.32 -3.81 1.61 8.25 -1.26 -5.07 115.22 113.62 2kfw n HIS 173 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2kfw n HIS 173 Cb 0.00 0.26 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 2kfw n HIS 173 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kfw s ASP 174 N -1.72 5.18 0.67 0.41 2.15 -1.25 -5.04 116.67 117.07 2kfw s ASP 174 Ca 0.00 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.09 2kfw s ASP 174 Cb 0.00 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 2kfw s ASP 174 CO 0.00 -0.49 0.00 1.57 -0.17 0.00 0.00 175.17 176.08 2kfw n HIS 175 N 4.59 -0.24 0.00 -5.34 -0.00 -1.26 -4.76 115.22 108.21 2kfw n HIS 175 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2kfw n HIS 175 Cb 0.42 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kfw n GLY 176 N 0.00 0.96 2.71 1.57 0.00 -1.26 -4.36 105.19 104.80 2kfw n GLY 176 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 2kfw n GLY 176 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 177 N 0.00 -2.28 -0.98 1.61 1.44 -1.26 -4.89 115.22 108.86 2kfw n HIS 177 Ca 0.00 -1.80 0.01 0.00 -2.01 0.00 0.00 57.72 53.93 2kfw n HIS 177 Cb 0.00 1.54 0.02 0.00 0.12 0.00 0.00 29.99 31.67 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 -0.02 0.94 -0.06 -1.40 1.02 -1.26 -4.77 120.64 115.09 2kfw n GLU 178 Ca -0.01 -1.16 -0.10 0.00 -0.02 0.00 0.00 57.16 55.87 2kfw n GLU 178 Cb 0.75 -0.77 -0.15 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.33 0.50 -3.78 -0.32 8.25 -1.26 -4.99 115.22 113.30 2kfw n HIS 179 Ca 0.02 0.17 -0.25 0.00 -0.26 0.00 0.00 57.72 57.41 2kfw n HIS 179 Cb 0.50 -1.09 0.03 0.00 1.12 0.00 0.00 29.99 30.55 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 1.70 -0.39 0.00 -1.41 0.00 -1.26 -4.87 105.19 98.96 2kfw n GLY 180 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.64 2.55 3.27 -0.02 0.00 -1.26 -5.16 105.19 102.94 2kfw n GLY 181 Ca -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 2kfw n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfw s GLU 182 N -0.79 0.41 0.00 1.61 0.41 -1.26 -5.13 118.70 113.95 2kfw s GLU 182 Ca 0.00 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.60 2kfw s GLU 182 Cb 0.00 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 2kfw s GLU 182 CO 0.00 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 2kfw n GLY 183 N 5.40 2.84 3.34 -1.39 0.00 -1.26 -5.03 105.19 109.09 2kfw n GLY 183 Ca -0.08 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 1.81 -1.42 0.00 0.00 0.00 -1.26 -5.16 105.19 99.16 2kfw n GLY 186 Ca 0.11 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.11 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 2.86 0.00 -0.02 0.00 -1.26 -5.06 105.19 101.71 2kfw n GLY 187 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.72 -0.12 1.61 4.81 -1.26 -4.82 118.16 119.10 2kfw n LYS 188 Ca 0.00 -0.25 -0.22 0.00 -0.87 0.00 0.00 58.31 56.97 2kfw n LYS 188 Cb 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 35.03 34.27 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kfw n GLY 189 N 0.17 -0.49 3.89 3.14 0.00 -1.26 -5.00 105.19 105.65 2kfw n GLY 189 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2kfw n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kfw n ASN 190 N -4.33 -2.18 0.00 1.61 5.03 -1.26 -4.63 115.26 109.51 2kfw n ASN 190 Ca -0.40 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.17 2kfw n ASN 190 Cb 0.75 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.92 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kfw n GLY 191 N -1.70 1.98 0.00 7.41 0.00 -1.26 -5.12 105.19 106.50 2kfw n GLY 191 Ca -0.17 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 1.70 -1.21 3.60 -0.02 0.00 -1.26 -5.12 105.19 102.87 2kfw n GLY 192 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 4.40 3.44 3.08 0.00 0.00 -1.26 -5.14 105.19 109.72 2kfw n GLY 194 Ca 0.06 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32