#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 2.60 0.19 2.12 2.47 -1.26 -4.09 119.74 121.77 2kfw s LYS 2 Ca 0.00 -1.13 -0.22 0.00 -1.56 0.00 0.00 55.97 53.06 2kfw s LYS 2 Cb 0.00 -2.63 -0.08 0.00 -1.46 0.00 0.00 37.83 33.66 2kfw s LYS 2 CO 0.00 -0.56 0.74 0.08 0.16 0.00 0.00 175.35 175.77 2kfw s VAL 3 N -2.57 4.49 0.24 4.02 1.01 -1.26 -4.93 120.40 121.40 2kfw s VAL 3 Ca 0.57 1.46 0.07 0.00 0.00 0.00 0.00 61.98 64.09 2kfw s VAL 3 Cb -0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2kfw s VAL 3 CO 0.36 0.36 0.16 0.00 0.00 0.00 0.00 175.10 175.97 2kfw s ALA 4 N -1.35 3.52 0.39 5.51 0.00 -1.26 -4.46 121.76 124.12 2kfw s ALA 4 Ca 0.39 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 51.01 2kfw s ALA 4 Cb -0.19 -1.23 0.83 0.00 0.00 0.00 0.00 23.12 22.52 2kfw s ALA 4 CO 0.23 0.29 2.01 -0.22 0.00 0.00 0.00 175.76 178.08 2kfw h LYS 5 N 1.70 0.60 -1.61 0.00 3.64 -1.96 -2.68 116.57 116.26 2kfw h LYS 5 Ca -0.48 -0.04 -0.65 0.00 -1.27 0.00 0.00 60.65 58.22 2kfw h LYS 5 Cb 1.23 -0.14 -0.37 0.00 -0.41 0.00 0.00 32.23 32.55 2kfw h LYS 5 CO 0.61 0.40 -0.14 -0.40 -2.27 0.00 0.00 179.45 177.65 2kfw n ASP 6 N -4.47 5.67 -3.83 4.20 5.75 -1.26 -2.76 116.55 119.84 2kfw n ASP 6 Ca 0.07 -3.76 -0.28 0.00 -0.01 0.00 0.00 54.79 50.80 2kfw n ASP 6 Cb 0.16 -0.65 -0.16 0.00 -1.03 0.00 0.00 41.12 39.43 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kfw s LEU 7 N -3.72 1.66 0.00 -2.12 1.02 -1.01 -1.03 118.68 113.49 2kfw s LEU 7 Ca 0.50 -0.85 -0.36 0.00 0.02 0.00 0.00 54.13 53.44 2kfw s LEU 7 Cb 0.42 -0.84 -0.15 0.00 0.02 0.00 0.00 46.19 45.64 2kfw s LEU 7 CO -0.24 -0.25 1.58 1.33 0.02 0.00 0.00 176.35 178.78 2kfw n VAL 8 N 4.90 0.16 -3.88 -1.59 0.24 0.83 -4.44 118.33 114.55 2kfw n VAL 8 Ca -0.10 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 2kfw n VAL 8 Cb 0.47 -1.27 -0.16 0.00 -1.47 0.00 0.00 33.84 31.40 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 1.82 1.20 -0.21 3.34 1.01 -0.89 -1.10 120.40 125.58 2kfw s VAL 9 Ca 0.87 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2kfw s VAL 9 Cb -0.86 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2kfw s VAL 9 CO 0.49 -0.10 0.65 -0.55 0.00 0.00 0.00 175.10 175.59 2kfw s SER 10 N 1.55 6.68 -0.06 3.32 0.15 -1.19 -0.53 113.70 123.62 2kfw s SER 10 Ca -0.04 0.83 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 2kfw s SER 10 Cb -0.18 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2kfw s SER 10 CO -0.07 -0.32 0.13 -1.48 1.20 0.00 0.00 173.24 172.70 2kfw s LEU 11 N 2.12 0.50 0.47 3.45 0.05 -0.97 0.23 118.68 124.53 2kfw s LEU 11 Ca 0.29 0.25 -0.18 0.00 0.05 0.00 0.00 54.13 54.55 2kfw s LEU 11 Cb -0.16 0.24 -0.09 0.00 -2.05 0.00 0.00 46.19 44.13 2kfw s LEU 11 CO 0.10 -0.18 0.95 0.00 -0.55 0.00 0.00 176.35 176.66 2kfw s ALA 12 N 1.55 3.09 -0.12 1.48 0.00 -1.05 -4.32 121.76 122.39 2kfw s ALA 12 Ca -0.05 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 2kfw s ALA 12 Cb -0.12 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.96 2kfw s ALA 12 CO -0.05 -0.05 0.52 1.52 0.00 0.00 0.00 175.76 177.69 2kfw s TYR 13 N -2.41 -0.51 -0.10 0.00 1.13 -1.25 -1.48 117.35 112.73 2kfw s TYR 13 Ca 0.59 1.08 0.01 0.00 -1.41 0.00 0.00 57.07 57.34 2kfw s TYR 13 Cb -0.10 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.97 2kfw s TYR 13 CO 0.24 -0.39 -0.12 -1.14 -2.51 0.00 0.00 175.55 171.62 2kfw s GLN 14 N -0.48 3.04 0.15 -3.49 0.74 -1.06 -1.65 119.66 116.91 2kfw s GLN 14 Ca -0.06 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 54.77 2kfw s GLN 14 Cb -0.03 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 2kfw s GLN 14 CO 0.04 0.41 -0.09 0.14 -0.55 0.00 0.00 175.29 175.24 2kfw s VAL 15 N -0.15 3.29 -0.14 1.34 -7.23 -0.92 -1.91 120.40 114.69 2kfw s VAL 15 Ca -0.00 -1.49 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 2kfw s VAL 15 Cb -0.13 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.25 2kfw s VAL 15 CO 0.03 -0.03 0.35 0.00 -0.31 0.00 0.00 175.10 175.15 2kfw s ARG 16 N -2.60 0.37 0.49 4.82 1.70 -0.89 -3.22 118.95 119.62 2kfw s ARG 16 Ca 0.24 0.57 -0.19 0.00 -0.47 0.00 0.00 55.73 55.88 2kfw s ARG 16 Cb -0.10 0.09 -0.08 0.00 -0.57 0.00 0.00 34.95 34.29 2kfw s ARG 16 CO 0.15 -0.10 1.00 0.95 -1.08 0.00 0.00 175.30 176.22 2kfw s THR 17 N 0.67 4.19 0.51 4.99 -4.23 0.31 -3.11 115.64 118.97 2kfw s THR 17 Ca -0.04 1.22 0.28 0.00 -1.18 0.00 0.00 61.69 61.97 2kfw s THR 17 Cb -0.05 -3.56 0.28 0.00 1.34 0.00 0.00 72.50 70.51 2kfw s THR 17 CO -0.04 -0.44 1.85 -0.08 -0.54 0.00 0.00 174.62 175.37 2kfw h GLU 18 N 1.30 0.00 0.00 3.99 4.81 -1.88 0.29 114.58 123.09 2kfw h GLU 18 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2kfw h GLU 18 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2kfw h GLU 18 CO 0.60 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.63 2kfw n ASP 19 N -2.73 0.00 0.00 1.04 8.00 -1.26 -4.81 116.55 116.79 2kfw n ASP 19 Ca -0.02 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2kfw n ASP 19 Cb 0.32 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfw n GLY 20 N 0.24 0.77 3.38 0.44 0.00 0.10 -5.07 105.19 105.05 2kfw n GLY 20 Ca 0.12 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.16 -0.23 1.61 1.01 -1.18 -4.93 120.40 116.84 2kfw s VAL 21 Ca 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.08 2kfw s VAL 21 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2kfw s VAL 21 CO 0.00 -0.03 0.11 -0.76 0.00 0.00 0.00 175.10 174.42 2kfw s LEU 22 N -2.26 3.76 -0.14 3.92 1.02 -1.26 0.12 118.68 123.84 2kfw s LEU 22 Ca 0.15 -0.04 -0.20 0.00 0.02 0.00 0.00 54.13 54.06 2kfw s LEU 22 Cb -0.09 -2.00 -0.18 0.00 0.02 0.00 0.00 46.19 43.94 2kfw s LEU 22 CO 0.07 0.04 0.48 0.58 0.02 0.00 0.00 176.35 177.54 2kfw h VAL 23 N 5.24 1.18 -2.34 -1.59 2.07 -1.91 -3.48 116.25 115.41 2kfw h VAL 23 Ca -0.37 -1.93 0.13 0.00 0.82 0.00 0.00 66.70 65.36 2kfw h VAL 23 Cb 1.18 2.27 -0.12 0.00 -1.52 0.00 0.00 31.29 33.09 2kfw h VAL 23 CO 0.62 0.40 0.48 -0.62 0.02 0.00 0.00 177.57 178.46 2kfw s ASP 24 N -6.08 -0.29 0.30 0.57 2.15 -1.26 -5.07 116.67 106.99 2kfw s ASP 24 Ca -0.15 -0.18 -0.01 0.00 0.43 0.00 0.00 52.55 52.64 2kfw s ASP 24 Cb -0.01 0.44 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 2kfw s ASP 24 CO 0.48 -0.76 0.42 -1.84 -0.17 0.00 0.00 175.17 173.30 2kfw n GLU 25 N -0.35 0.61 -3.98 4.34 0.28 -1.26 -2.16 120.64 118.11 2kfw n GLU 25 Ca -0.08 -2.43 -0.26 0.00 -0.16 0.00 0.00 57.16 54.23 2kfw n GLU 25 Cb 0.61 2.34 -0.17 0.00 1.43 0.00 0.00 31.44 35.65 2kfw n GLU 25 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kfw s SER 26 N -2.88 2.05 0.62 -1.84 0.01 -0.66 -4.93 113.70 106.07 2kfw s SER 26 Ca 0.25 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 2kfw s SER 26 Cb -0.01 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 2kfw s SER 26 CO 0.18 -0.10 1.07 -2.16 0.41 0.00 0.00 173.24 172.63 2kfw s PRO 27 N 1.58 3.16 0.10 12.44 0.04 -1.26 -3.89 135.00 147.17 2kfw s PRO 27 Ca 0.02 1.21 0.20 0.00 0.04 0.00 0.00 61.00 62.47 2kfw s PRO 27 Cb -0.13 -2.01 0.81 0.00 0.04 0.00 0.00 34.50 33.21 2kfw s PRO 27 CO -0.06 -0.94 1.61 1.55 0.04 0.00 0.00 177.00 179.20 2kfw n VAL 28 N -2.24 0.82 0.93 -0.36 3.14 -1.26 -2.22 118.33 117.14 2kfw n VAL 28 Ca 0.09 0.18 0.13 0.00 -2.96 0.00 0.00 64.34 61.79 2kfw n VAL 28 Cb 0.53 -0.98 0.47 0.00 -1.06 0.00 0.00 33.84 32.80 2kfw n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kfw n SER 29 N -1.80 0.27 -2.86 6.55 2.88 -1.26 -4.29 113.62 113.11 2kfw n SER 29 Ca 0.04 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 2kfw n SER 29 Cb 0.22 -0.28 0.06 0.00 -0.75 0.00 0.00 64.21 63.46 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfw n ALA 30 N -1.55 -0.02 -1.57 -1.46 0.00 -0.94 -5.13 120.51 109.83 2kfw n ALA 30 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 53.44 51.18 2kfw n ALA 30 Cb 0.35 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.47 3.01 0.05 0.00 0.04 -1.14 -4.58 135.00 131.90 2kfw s PRO 31 Ca 0.27 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 2kfw s PRO 31 Cb 0.31 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2kfw s PRO 31 CO -0.06 -1.06 0.23 -0.51 0.04 0.00 0.00 177.00 175.64 2kfw s LEU 32 N -4.93 4.35 0.28 -3.56 1.02 -1.26 -4.84 118.68 109.74 2kfw s LEU 32 Ca 0.63 0.36 -0.09 0.00 0.02 0.00 0.00 54.13 55.04 2kfw s LEU 32 Cb -0.17 -2.88 -0.07 0.00 0.02 0.00 0.00 46.19 43.09 2kfw s LEU 32 CO 0.43 0.19 0.61 -1.81 0.02 0.00 0.00 176.35 175.79 2kfw s ASP 33 N -2.27 6.59 0.05 2.29 1.11 -1.26 -2.28 116.67 120.89 2kfw s ASP 33 Ca 0.33 0.95 0.04 0.00 0.18 0.00 0.00 52.55 54.05 2kfw s ASP 33 Cb -0.13 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 2kfw s ASP 33 CO 0.24 -0.17 -0.11 -0.31 1.18 0.00 0.00 175.17 176.00 2kfw s TYR 34 N -1.99 0.95 -0.32 4.23 1.51 0.31 -4.82 117.35 117.22 2kfw s TYR 34 Ca 0.48 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2kfw s TYR 34 Cb -0.11 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2kfw s TYR 34 CO 0.24 -0.01 0.06 -1.17 -1.11 0.00 0.00 175.55 173.57 2kfw s LEU 35 N -1.41 4.17 0.58 -1.29 2.96 -1.26 -2.10 118.68 120.34 2kfw s LEU 35 Ca -0.04 -1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 52.43 2kfw s LEU 35 Cb -0.09 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2kfw s LEU 35 CO 0.01 -0.31 1.23 -2.28 -1.32 0.00 0.00 176.35 173.68 2kfw s HIS 36 N 1.32 2.40 -1.97 5.38 5.65 -1.11 -2.37 115.29 124.60 2kfw s HIS 36 Ca -0.03 1.50 0.00 0.00 0.25 0.00 0.00 55.06 56.78 2kfw s HIS 36 Cb -0.20 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 2kfw s HIS 36 CO 0.01 -2.29 0.00 0.41 -0.65 0.00 0.00 174.74 172.22 2kfw n GLY 37 N 0.56 1.44 0.00 1.59 0.00 -1.26 -4.08 105.19 103.44 2kfw n GLY 37 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kfw n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 38 N -2.73 0.00 -2.57 1.61 -0.00 -1.00 -5.00 115.22 105.52 2kfw n HIS 38 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.51 2kfw n HIS 38 Cb 0.64 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.67 2kfw n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 39 N 2.50 1.46 0.28 1.57 0.00 -1.26 -4.74 105.19 105.01 2kfw n GLY 39 Ca 0.00 -0.59 0.18 0.00 0.00 0.00 0.00 46.02 45.61 2kfw n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kfw h SER 40 N 1.37 0.00 0.00 1.61 0.87 -1.81 -3.43 113.55 112.16 2kfw h SER 40 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2kfw h SER 40 Cb 1.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2kfw h SER 40 CO -0.02 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.47 2kfw n LEU 41 N -3.10 0.00 -3.87 2.23 4.32 -1.26 -4.99 117.00 110.33 2kfw n LEU 41 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.84 2kfw n LEU 41 Cb 0.28 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.93 2kfw n LEU 41 CO 0.27 0.00 -0.38 -0.63 -1.22 0.00 0.00 177.39 175.43 2kfw s ILE 42 N 0.00 0.22 0.25 -0.08 1.01 -1.26 -5.02 121.20 116.32 2kfw s ILE 42 Ca 0.00 -0.03 0.26 0.00 0.00 0.00 0.00 60.65 60.88 2kfw s ILE 42 Cb 0.00 -0.25 0.26 0.00 0.01 0.00 0.00 42.46 42.48 2kfw s ILE 42 CO 0.00 0.11 1.93 -1.28 0.00 0.00 0.00 174.94 175.70 2kfw h SER 43 N 6.65 0.00 0.48 3.58 0.87 -1.89 -1.11 113.55 122.13 2kfw h SER 43 Ca -0.35 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.02 2kfw h SER 43 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2kfw h SER 43 CO 0.49 0.18 -0.85 1.23 -0.53 0.00 0.00 176.83 177.35 2kfw h GLY 44 N 1.58 0.29 1.50 5.77 0.00 -1.95 -3.14 103.07 107.13 2kfw h GLY 44 Ca -0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 46.58 2kfw h GLY 44 CO 0.02 0.43 -1.35 -2.00 0.00 0.00 0.00 176.54 173.65 2kfw h LEU 45 N 0.15 0.14 -1.35 3.11 5.85 -1.88 -3.31 115.31 118.02 2kfw h LEU 45 Ca -0.05 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2kfw h LEU 45 Cb 1.46 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 2kfw h LEU 45 CO 0.14 1.15 0.24 -0.33 -0.34 0.00 0.00 178.44 179.30 2kfw h GLU 46 N 0.02 0.69 -0.73 1.25 3.07 -1.25 -1.89 114.58 115.75 2kfw h GLU 46 Ca -0.15 -0.08 0.13 0.00 -0.50 0.00 0.00 59.36 58.76 2kfw h GLU 46 Cb 1.91 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 29.64 2kfw h GLU 46 CO 0.13 0.53 0.49 1.15 -1.40 0.00 0.00 179.01 179.91 2kfw h THR 47 N 0.69 0.84 0.00 1.13 2.02 -1.63 0.08 112.91 116.03 2kfw h THR 47 Ca 0.17 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 2kfw h THR 47 Cb 0.07 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2kfw h THR 47 CO -0.02 0.08 -0.78 0.00 0.37 0.00 0.00 175.52 175.17 2kfw h ALA 48 N 1.65 0.69 -0.18 6.16 0.00 -1.53 -3.34 119.26 122.71 2kfw h ALA 48 Ca 0.35 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kfw h ALA 48 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kfw h ALA 48 CO -0.11 0.52 0.11 -0.07 0.00 0.00 0.00 179.25 179.70 2kfw h LEU 49 N 0.00 0.21 -9.69 0.00 3.38 -0.59 -3.42 115.31 105.21 2kfw h LEU 49 Ca -0.05 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.34 2kfw h LEU 49 Cb 1.33 -0.05 0.07 0.00 0.09 0.00 0.00 40.66 42.09 2kfw h LEU 49 CO 0.04 0.20 0.93 1.21 0.09 0.00 0.00 178.44 180.91 2kfw n GLU 50 N -4.94 2.66 -1.01 1.13 2.13 -1.12 -3.98 120.64 115.53 2kfw n GLU 50 Ca -0.04 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2kfw n GLU 50 Cb 0.05 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.00 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfw n GLY 51 N 3.19 -0.00 3.15 8.31 0.00 -1.26 -4.94 105.19 113.63 2kfw n GLY 51 Ca 0.13 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.19 -1.33 0.99 1.61 3.76 -1.26 -4.95 115.29 111.93 2kfw s HIS 52 Ca 0.00 1.22 -0.12 0.00 -0.15 0.00 0.00 55.06 56.01 2kfw s HIS 52 Cb 0.00 0.39 0.19 0.00 1.11 0.00 0.00 32.58 34.27 2kfw s HIS 52 CO 0.00 -0.74 1.08 -1.21 -0.85 0.00 0.00 174.74 173.02 2kfw s GLU 53 N 2.88 0.43 -0.08 1.40 2.02 -1.26 -4.39 118.70 119.71 2kfw s GLU 53 Ca 0.14 1.01 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 2kfw s GLU 53 Cb -0.12 -1.70 -0.05 0.00 0.10 0.00 0.00 34.13 32.36 2kfw s GLU 53 CO -0.20 -2.86 1.66 0.08 0.02 0.00 0.00 175.26 173.96 2kfw s VAL 54 N -2.70 3.58 0.00 2.63 1.01 -1.26 -1.80 120.40 121.86 2kfw s VAL 54 Ca 0.66 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2kfw s VAL 54 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2kfw s VAL 54 CO 0.60 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2kfw n GLY 55 N 4.23 0.70 3.77 4.51 0.00 -0.39 -5.02 105.19 113.00 2kfw n GLY 55 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -2.45 7.16 -0.05 1.61 -1.08 -0.74 -4.89 116.67 116.23 2kfw s ASP 56 Ca 0.00 1.38 0.03 0.00 -0.52 0.00 0.00 52.55 53.44 2kfw s ASP 56 Cb 0.00 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 2kfw s ASP 56 CO 0.00 0.14 -0.11 -1.59 0.52 0.00 0.00 175.17 174.13 2kfw s LYS 57 N -0.59 1.39 0.05 4.34 -2.85 -1.26 -2.13 119.74 118.69 2kfw s LYS 57 Ca 0.34 -0.39 0.01 0.00 -1.00 0.00 0.00 55.97 54.93 2kfw s LYS 57 Cb -0.20 -1.21 -0.03 0.00 -2.06 0.00 0.00 37.83 34.32 2kfw s LYS 57 CO 0.21 0.09 -0.06 -0.59 0.10 0.00 0.00 175.35 175.11 2kfw s PHE 58 N 0.39 0.63 -0.17 1.78 -0.71 -0.69 -4.93 117.98 114.28 2kfw s PHE 58 Ca -0.08 -0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 55.06 2kfw s PHE 58 Cb -0.12 -0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 2kfw s PHE 58 CO 0.02 -0.16 0.01 0.34 -1.34 0.00 0.00 175.22 174.08 2kfw s ASP 59 N -2.15 5.16 -0.02 1.98 -1.08 -1.26 -0.64 116.67 118.67 2kfw s ASP 59 Ca -0.03 -0.04 -0.02 0.00 -0.52 0.00 0.00 52.55 51.94 2kfw s ASP 59 Cb -0.03 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 2kfw s ASP 59 CO -0.03 0.17 0.05 -0.69 0.52 0.00 0.00 175.17 175.19 2kfw s VAL 60 N 0.39 0.02 -0.08 1.11 1.01 -1.09 -4.99 120.40 116.77 2kfw s VAL 60 Ca -0.01 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 2kfw s VAL 60 Cb -0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 2kfw s VAL 60 CO 0.02 -0.09 0.44 0.00 0.00 0.00 0.00 175.10 175.47 2kfw s ALA 61 N -0.25 3.56 -0.29 5.51 0.00 -1.26 -2.71 121.76 126.31 2kfw s ALA 61 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2kfw s ALA 61 Cb -0.02 -2.54 0.19 0.00 0.00 0.00 0.00 23.12 20.75 2kfw s ALA 61 CO 0.00 0.17 0.74 0.54 0.00 0.00 0.00 175.76 177.20 2kfw s VAL 62 N 0.05 -0.77 0.00 0.00 0.11 -0.97 -4.99 120.40 113.83 2kfw s VAL 62 Ca 0.24 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2kfw s VAL 62 Cb -0.15 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2kfw s VAL 62 CO 0.11 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2kfw n GLY 63 N 5.36 -0.36 0.00 6.54 0.00 -1.26 -4.27 105.19 111.20 2kfw n GLY 63 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2kfw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 64 N -1.14 1.49 0.07 4.61 0.00 -1.26 0.44 120.51 124.72 2kfw n ALA 64 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2kfw n ALA 64 Cb 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.17 2kfw n ALA 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kfw h ASN 65 N 0.00 0.20 0.00 0.00 -0.73 -1.89 -3.33 115.58 109.82 2kfw h ASN 65 Ca 0.00 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.94 2kfw h ASN 65 Cb 0.13 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.66 2kfw h ASN 65 CO 0.00 1.18 0.00 -0.67 -0.37 0.00 0.00 177.43 177.57 2kfw n ASP 66 N -3.41 0.00 0.00 1.15 2.03 -0.88 -4.92 116.55 110.53 2kfw n ASP 66 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2kfw n ASP 66 Cb 0.99 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw n ALA 67 N 0.00 0.00 -1.18 -1.67 0.00 -0.86 -4.74 120.51 112.06 2kfw n ALA 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2kfw n ALA 67 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2kfw n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfw n TYR 68 N 0.00 0.00 0.11 0.00 4.01 -1.10 -4.77 117.16 115.41 2kfw n TYR 68 Ca 0.00 -0.15 0.11 0.00 -0.16 0.00 0.00 57.90 57.71 2kfw n TYR 68 Cb 0.00 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 2kfw n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kfw n GLY 69 N -0.18 -1.29 0.48 2.72 0.00 0.17 -4.14 105.19 102.94 2kfw n GLY 69 Ca 0.01 -0.34 0.25 0.00 0.00 0.00 0.00 46.02 45.94 2kfw n GLY 69 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2kfw h GLN 70 N 0.00 0.00 -6.16 1.61 3.07 -1.66 -3.29 115.11 108.67 2kfw h GLN 70 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.11 2kfw h GLN 70 Cb 0.98 0.00 0.13 0.00 0.08 0.00 0.00 27.48 28.67 2kfw h GLN 70 CO 0.00 0.00 -0.50 0.98 0.09 0.00 0.00 178.83 179.40 2kfw n TYR 71 N -3.37 -0.64 -4.23 0.06 4.19 -1.26 -4.97 117.16 106.93 2kfw n TYR 71 Ca 0.17 0.74 -0.19 0.00 3.31 0.00 0.00 57.90 61.94 2kfw n TYR 71 Cb 1.20 -1.96 -0.12 0.00 0.49 0.00 0.00 39.34 38.94 2kfw n TYR 71 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2kfw s ASP 72 N -0.92 1.61 0.47 2.98 -1.08 -1.26 -4.39 116.67 114.07 2kfw s ASP 72 Ca 0.62 -0.55 0.25 0.00 -0.52 0.00 0.00 52.55 52.36 2kfw s ASP 72 Cb -0.73 -0.07 1.12 0.00 -1.46 0.00 0.00 42.92 41.78 2kfw s ASP 72 CO 0.59 -0.04 1.91 -0.33 0.52 0.00 0.00 175.17 177.82 2kfw h GLU 73 N 4.57 0.00 -0.09 4.34 5.08 -1.93 -2.85 114.58 123.70 2kfw h GLU 73 Ca -0.39 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2kfw h GLU 73 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kfw h GLU 73 CO 0.42 0.19 0.48 -0.91 -1.00 0.00 0.00 179.01 178.19 2kfw h ASN 74 N 0.00 0.00 -0.87 1.42 -0.26 -2.00 -2.73 115.58 111.13 2kfw h ASN 74 Ca -0.00 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 55.03 2kfw h ASN 74 Cb 0.60 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.77 2kfw h ASN 74 CO 0.02 0.00 2.59 -0.11 -1.06 0.00 0.00 177.43 178.88 2kfw n LEU 75 N -2.95 8.10 -4.62 1.61 0.00 -1.08 -4.98 117.00 113.08 2kfw n LEU 75 Ca 0.00 -4.71 -0.35 0.00 0.00 0.00 0.00 56.01 50.95 2kfw n LEU 75 Cb 0.54 -1.40 0.09 0.00 0.00 0.00 0.00 43.42 42.66 2kfw n LEU 75 CO 0.13 2.05 0.54 0.55 0.00 0.00 0.00 177.39 180.66 2kfw n VAL 76 N 2.10 2.58 -4.10 1.96 3.14 -1.03 -4.96 118.33 118.02 2kfw n VAL 76 Ca 0.65 -0.34 -0.27 0.00 -2.96 0.00 0.00 64.34 61.42 2kfw n VAL 76 Cb 0.27 -1.09 -0.06 0.00 -1.06 0.00 0.00 33.84 31.90 2kfw n VAL 76 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2kfw s GLN 77 N -3.45 2.82 -0.13 1.45 1.11 -1.18 -4.98 119.66 115.30 2kfw s GLN 77 Ca 0.73 -0.88 0.03 0.00 0.01 0.00 0.00 55.36 55.24 2kfw s GLN 77 Cb -0.33 -2.61 0.01 0.00 -1.01 0.00 0.00 33.01 29.06 2kfw s GLN 77 CO 0.51 0.49 -0.22 0.50 0.01 0.00 0.00 175.29 176.58 2kfw s ARG 78 N -2.97 3.05 -0.03 2.91 3.52 -1.26 -1.64 118.95 122.53 2kfw s ARG 78 Ca 0.30 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 55.02 2kfw s ARG 78 Cb -0.10 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2kfw s ARG 78 CO 0.22 0.04 0.08 0.08 -0.81 0.00 0.00 175.30 174.91 2kfw s VAL 79 N 0.68 -0.01 0.68 7.11 1.01 0.18 -4.82 120.40 125.24 2kfw s VAL 79 Ca -0.10 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2kfw s VAL 79 Cb -0.16 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2kfw s VAL 79 CO 0.01 0.01 1.07 -2.16 0.00 0.00 0.00 175.10 174.03 2kfw s PRO 80 N 0.16 2.87 0.00 2.72 0.04 -1.26 -0.16 135.00 139.37 2kfw s PRO 80 Ca -0.01 1.12 0.12 0.00 0.04 0.00 0.00 61.00 62.27 2kfw s PRO 80 Cb -0.02 -1.98 0.54 0.00 0.04 0.00 0.00 34.50 33.09 2kfw s PRO 80 CO -0.00 -1.16 1.32 0.36 0.04 0.00 0.00 177.00 177.56 2kfw n LYS 81 N -2.84 0.09 -0.02 4.56 2.85 -1.26 -2.65 118.16 118.88 2kfw n LYS 81 Ca 0.09 0.24 -0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2kfw n LYS 81 Cb 0.53 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.69 2kfw n LYS 81 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2kfw h ASP 82 N 0.00 0.54 -0.42 -5.58 3.32 -1.94 -1.88 116.42 110.45 2kfw h ASP 82 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2kfw h ASP 82 Cb 0.15 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2kfw h ASP 82 CO 0.00 0.58 0.00 0.52 -1.72 0.00 0.00 179.24 178.62 2kfw n VAL 83 N -4.29 2.00 -3.04 -1.35 0.31 -1.08 -4.68 118.33 106.20 2kfw n VAL 83 Ca 0.02 -1.02 -0.44 0.00 -0.01 0.00 0.00 64.34 62.89 2kfw n VAL 83 Cb 0.23 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.46 3.92 -0.03 3.52 3.01 -0.71 -4.88 117.46 122.77 2kfw n PHE 84 Ca 0.20 -3.24 -0.15 0.00 1.01 0.00 0.00 57.45 55.28 2kfw n PHE 84 Cb 0.94 -1.66 -0.09 0.00 -0.01 0.00 0.00 39.48 38.66 2kfw n PHE 84 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 2kfw h MET 85 N 6.19 -0.53 -4.08 -1.08 1.85 -1.85 -2.77 114.93 112.67 2kfw h MET 85 Ca 0.24 0.04 -0.72 0.00 -0.61 0.00 0.00 59.70 58.64 2kfw h MET 85 Cb 0.75 0.12 -0.08 0.00 0.43 0.00 0.00 31.60 32.82 2kfw h MET 85 CO 1.24 -0.35 2.68 0.41 -0.40 0.00 0.00 176.91 180.49 2kfw n GLY 86 N -1.43 4.29 2.99 1.39 0.00 -1.26 -4.82 105.19 106.35 2kfw n GLY 86 Ca -0.05 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 4.74 5.16 1.59 1.61 3.14 -1.05 -4.77 118.33 128.75 2kfw n VAL 87 Ca 0.48 -5.88 0.13 0.00 -2.96 0.00 0.00 64.34 56.11 2kfw n VAL 87 Cb 0.39 -2.10 0.76 0.00 -1.06 0.00 0.00 33.84 31.83 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kfw n ASP 88 N 1.36 0.00 0.00 6.55 2.03 -1.26 -4.73 116.55 120.50 2kfw n ASP 88 Ca 0.26 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2kfw n ASP 88 Cb 0.34 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2kfw n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kfw n GLU 89 N -1.04 0.00 -3.58 -0.67 1.02 -1.26 -5.10 120.64 110.00 2kfw n GLU 89 Ca 0.19 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.93 2kfw n GLU 89 Cb 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.46 2kfw n GLU 89 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kfw s LEU 90 N 0.00 5.77 0.21 -4.62 1.98 -1.26 -5.05 118.68 115.71 2kfw s LEU 90 Ca 0.00 -2.86 0.09 0.00 -2.89 0.00 0.00 54.13 48.47 2kfw s LEU 90 Cb 0.00 -1.98 -0.05 0.00 0.66 0.00 0.00 46.19 44.83 2kfw s LEU 90 CO 0.00 -0.42 -0.17 -1.58 -1.89 0.00 0.00 176.35 172.29 2kfw s GLN 91 N -0.08 1.39 0.11 1.98 0.74 -1.26 -5.11 119.66 117.44 2kfw s GLN 91 Ca 0.18 -1.59 -0.30 0.00 0.05 0.00 0.00 55.36 53.70 2kfw s GLN 91 Cb -0.16 -1.31 -0.06 0.00 1.10 0.00 0.00 33.01 32.58 2kfw s GLN 91 CO -0.06 0.24 0.99 0.54 -0.55 0.00 0.00 175.29 176.45 2kfw s VAL 92 N -2.66 4.41 0.00 1.34 0.11 -1.26 -3.11 120.40 119.24 2kfw s VAL 92 Ca 0.23 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.27 2kfw s VAL 92 Cb -0.03 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.55 2kfw s VAL 92 CO 0.09 0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 2kfw n GLY 93 N 2.27 0.96 3.80 6.54 0.00 -1.17 -5.04 105.19 112.55 2kfw n GLY 93 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.58 4.38 0.11 1.61 0.00 -1.18 -4.87 119.30 118.78 2kfw s MET 94 Ca 0.00 1.06 -0.14 0.00 0.00 0.00 0.00 55.69 56.61 2kfw s MET 94 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 34.83 31.95 2kfw s MET 94 CO 0.00 0.33 0.52 -0.98 0.00 0.00 0.00 175.02 174.89 2kfw s ARG 95 N -2.06 3.98 0.33 4.11 1.70 -1.26 -1.64 118.95 124.10 2kfw s ARG 95 Ca 0.47 0.48 0.08 0.00 -0.47 0.00 0.00 55.73 56.29 2kfw s ARG 95 Cb -0.17 -3.01 -0.06 0.00 -0.57 0.00 0.00 34.95 31.14 2kfw s ARG 95 CO 0.22 0.53 -0.06 0.12 -1.08 0.00 0.00 175.30 175.03 2kfw s PHE 96 N -1.37 2.24 -0.13 5.89 2.19 -0.66 -4.88 117.98 121.26 2kfw s PHE 96 Ca 0.35 -0.61 -0.04 0.00 0.33 0.00 0.00 56.93 56.96 2kfw s PHE 96 Cb -0.16 -1.34 0.05 0.00 -1.31 0.00 0.00 43.02 40.26 2kfw s PHE 96 CO 0.18 0.43 0.07 -0.48 1.83 0.00 0.00 175.22 177.26 2kfw s LEU 97 N -3.56 0.38 -0.42 6.12 0.05 -1.26 -1.47 118.68 118.52 2kfw s LEU 97 Ca 0.32 -0.39 -0.21 0.00 0.05 0.00 0.00 54.13 53.90 2kfw s LEU 97 Cb 0.04 -0.26 0.02 0.00 -2.05 0.00 0.00 46.19 43.94 2kfw s LEU 97 CO 0.15 -0.31 0.67 0.00 -0.55 0.00 0.00 176.35 176.31 2kfw s ALA 98 N 2.11 3.36 -1.22 1.48 0.00 0.16 -4.93 121.76 122.72 2kfw s ALA 98 Ca 0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2kfw s ALA 98 Cb -0.15 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 19.88 2kfw s ALA 98 CO -0.07 -1.71 1.84 0.39 0.00 0.00 0.00 175.76 176.21 2kfw n GLU 99 N 6.30 4.10 -1.55 0.00 1.02 -1.26 0.15 120.64 129.40 2kfw n GLU 99 Ca -0.01 -3.86 -0.30 0.00 -0.02 0.00 0.00 57.16 52.98 2kfw n GLU 99 Cb 0.48 -2.75 0.18 0.00 -0.02 0.00 0.00 31.44 29.34 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 -0.96 1.88 0.23 2.62 -4.23 -1.13 -4.93 115.64 109.11 2kfw s THR 100 Ca 0.39 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 2kfw s THR 100 Cb 0.10 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 2kfw s THR 100 CO 0.01 0.00 1.52 0.44 -0.54 0.00 0.00 174.62 176.05 2kfw h ASP 101 N -1.88 0.09 0.26 3.99 5.19 -2.03 -2.83 116.42 119.21 2kfw h ASP 101 Ca -0.46 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 2kfw h ASP 101 Cb 1.29 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2kfw h ASP 101 CO 0.45 0.77 0.00 1.67 -3.12 0.00 0.00 179.24 179.01 2kfw n GLN 102 N -3.73 0.12 0.00 3.56 -0.06 -1.26 -4.92 117.38 111.08 2kfw n GLN 102 Ca -0.02 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 2kfw n GLN 102 Cb 0.69 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.37 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kfw n GLY 103 N -0.34 2.73 3.63 1.69 0.00 -1.07 -5.04 105.19 106.79 2kfw n GLY 103 Ca 0.05 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2kfw n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfw s PRO 104 N -1.85 3.83 -0.49 1.61 0.04 -1.26 -2.84 135.00 134.04 2kfw s PRO 104 Ca 0.00 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 2kfw s PRO 104 Cb 0.00 -3.96 0.11 0.00 0.04 0.00 0.00 34.50 30.69 2kfw s PRO 104 CO 0.00 -1.24 0.41 0.08 0.04 0.00 0.00 177.00 176.30 2kfw s VAL 105 N 4.82 4.85 0.15 -0.36 1.01 0.40 -4.95 120.40 126.31 2kfw s VAL 105 Ca 0.63 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2kfw s VAL 105 Cb -0.20 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2kfw s VAL 105 CO 0.26 -0.74 1.22 -2.16 0.00 0.00 0.00 175.10 173.68 2kfw s PRO 106 N 1.53 4.46 0.27 2.72 0.04 -1.26 0.37 135.00 143.12 2kfw s PRO 106 Ca 0.04 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.97 2kfw s PRO 106 Cb -0.27 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2kfw s PRO 106 CO 0.03 -0.17 0.14 0.14 0.04 0.00 0.00 177.00 177.17 2kfw s VAL 107 N 0.35 0.33 -0.11 -0.36 -7.23 -0.54 -4.26 120.40 108.57 2kfw s VAL 107 Ca 0.56 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2kfw s VAL 107 Cb -0.32 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.12 2kfw s VAL 107 CO 0.34 0.00 0.22 -0.70 -0.31 0.00 0.00 175.10 174.65 2kfw s GLU 108 N -3.95 0.10 0.14 4.82 2.12 -0.14 -1.65 118.70 120.13 2kfw s GLU 108 Ca 0.37 0.68 -0.31 0.00 0.36 0.00 0.00 54.97 56.07 2kfw s GLU 108 Cb 0.06 -0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.25 2kfw s GLU 108 CO 0.15 -0.29 1.32 -1.50 -0.54 0.00 0.00 175.26 174.40 2kfw s ILE 109 N 2.35 3.41 -0.04 -3.70 2.07 -0.65 -1.70 121.20 122.94 2kfw s ILE 109 Ca 0.02 1.07 0.06 0.00 -1.41 0.00 0.00 60.65 60.38 2kfw s ILE 109 Cb -0.12 -3.68 -0.08 0.00 0.13 0.00 0.00 42.46 38.70 2kfw s ILE 109 CO -0.07 0.11 0.07 1.07 -1.91 0.00 0.00 174.94 174.21 2kfw n THR 110 N 3.42 0.25 -3.71 4.00 5.66 -0.61 -3.07 114.28 120.22 2kfw n THR 110 Ca 0.09 -0.21 -0.09 0.00 -3.05 0.00 0.00 64.05 60.79 2kfw n THR 110 Cb 0.43 -0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 68.82 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw s ALA 111 N -2.26 -1.35 -0.28 1.79 0.00 -1.24 -4.57 121.76 113.86 2kfw s ALA 111 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2kfw s ALA 111 Cb 0.03 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.09 2kfw s ALA 111 CO 0.25 -0.95 0.03 0.08 0.00 0.00 0.00 175.76 175.18 2kfw s VAL 112 N -3.86 1.26 0.64 0.00 1.01 -1.26 -2.66 120.40 115.52 2kfw s VAL 112 Ca 0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 2kfw s VAL 112 Cb -0.04 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2kfw s VAL 112 CO -0.00 -0.42 0.92 -1.61 0.00 0.00 0.00 175.10 173.99 2kfw s GLU 113 N 1.46 2.41 0.16 2.72 0.41 0.26 -4.96 118.70 121.17 2kfw s GLU 113 Ca 0.04 -0.38 -0.32 0.00 -0.41 0.00 0.00 54.97 53.90 2kfw s GLU 113 Cb -0.18 -2.29 -0.10 0.00 -1.78 0.00 0.00 34.13 29.78 2kfw s GLU 113 CO -0.14 -0.99 1.60 0.34 -0.49 0.00 0.00 175.26 175.57 2kfw s ASP 114 N -4.45 6.57 -0.79 -0.19 2.15 -1.26 -2.17 116.67 116.52 2kfw s ASP 114 Ca 0.58 2.63 -0.02 0.00 0.43 0.00 0.00 52.55 56.17 2kfw s ASP 114 Cb -0.11 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 2kfw s ASP 114 CO 0.43 -0.85 0.11 0.47 -0.17 0.00 0.00 175.17 175.16 2kfw n ASP 115 N 4.17 -2.87 -3.63 -0.34 9.92 -1.26 -4.85 116.55 117.68 2kfw n ASP 115 Ca 0.14 0.14 -0.06 0.00 -0.53 0.00 0.00 54.79 54.48 2kfw n ASP 115 Cb 0.38 -2.48 -0.06 0.00 -0.64 0.00 0.00 41.12 38.32 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2kfw s HIS 116 N -2.50 -0.25 0.36 1.24 2.46 -0.92 -4.49 115.29 111.18 2kfw s HIS 116 Ca 0.10 0.57 0.04 0.00 0.47 0.00 0.00 55.06 56.23 2kfw s HIS 116 Cb -0.05 0.44 -0.05 0.00 -0.13 0.00 0.00 32.58 32.79 2kfw s HIS 116 CO 0.12 -0.16 0.08 0.08 -2.47 0.00 0.00 174.74 172.40 2kfw s VAL 117 N -0.27 0.96 -0.06 0.89 1.01 0.77 0.92 120.40 124.62 2kfw s VAL 117 Ca 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2kfw s VAL 117 Cb -0.04 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.76 2kfw s VAL 117 CO -0.08 0.00 -0.04 0.54 0.00 0.00 0.00 175.10 175.52 2kfw s VAL 118 N -3.27 0.58 -0.01 2.92 0.11 -1.09 0.52 120.40 120.16 2kfw s VAL 118 Ca 0.31 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2kfw s VAL 118 Cb 0.06 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2kfw s VAL 118 CO 0.15 0.26 0.00 0.68 -3.33 0.00 0.00 175.10 172.86 2kfw s VAL 119 N 1.33 0.06 0.39 2.04 -7.23 -0.65 -1.57 120.40 114.77 2kfw s VAL 119 Ca -0.04 0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 2kfw s VAL 119 Cb -0.14 -0.12 -0.05 0.00 0.56 0.00 0.00 36.38 36.63 2kfw s VAL 119 CO -0.02 0.07 0.71 1.51 -0.31 0.00 0.00 175.10 177.05 2kfw s ASP 120 N 0.48 6.45 -0.33 4.85 1.47 -0.69 -3.09 116.67 125.81 2kfw s ASP 120 Ca -0.04 0.97 0.05 0.00 1.18 0.00 0.00 52.55 54.71 2kfw s ASP 120 Cb -0.06 -2.25 0.18 0.00 -0.34 0.00 0.00 42.92 40.44 2kfw s ASP 120 CO -0.01 -0.37 0.54 -0.83 0.68 0.00 0.00 175.17 175.18 2kfw s GLY 121 N -3.35 -1.02 0.32 2.12 0.00 -1.26 -0.97 107.32 103.16 2kfw s GLY 121 Ca 0.48 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 2kfw s GLY 121 CO 0.33 3.47 1.46 0.54 0.00 0.00 0.00 173.10 178.90 2kfw s ASN 122 N 2.41 6.51 0.53 1.64 4.22 -1.26 -4.97 114.94 124.02 2kfw s ASN 122 Ca 0.12 2.87 -0.03 0.00 -2.14 0.00 0.00 52.86 53.68 2kfw s ASN 122 Cb -0.09 -2.65 0.00 0.00 1.28 0.00 0.00 41.25 39.79 2kfw s ASN 122 CO -0.20 -0.77 0.80 -2.28 -2.04 0.00 0.00 177.10 172.61 2kfw s HIS 123 N -0.66 3.24 -0.70 1.54 2.46 -1.26 -4.83 115.29 115.09 2kfw s HIS 123 Ca 0.55 0.47 0.21 0.00 0.47 0.00 0.00 55.06 56.77 2kfw s HIS 123 Cb -0.44 -2.55 0.86 0.00 -0.13 0.00 0.00 32.58 30.32 2kfw s HIS 123 CO 0.53 -0.62 1.65 -1.33 -2.47 0.00 0.00 174.74 172.51 2kfw n MET 124 N -2.36 0.13 -0.03 2.88 2.81 -1.26 -3.83 117.12 115.46 2kfw n MET 124 Ca 0.03 0.33 -0.02 0.00 -1.81 0.00 0.00 57.70 56.23 2kfw n MET 124 Cb 0.58 -1.73 -0.01 0.00 -0.71 0.00 0.00 33.22 31.35 2kfw n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2kfw h LEU 125 N 0.00 0.00 -8.98 4.03 -0.00 -1.88 -3.37 115.31 105.11 2kfw h LEU 125 Ca 0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 57.88 57.15 2kfw h LEU 125 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2kfw h LEU 125 CO 0.00 0.27 1.01 0.00 -0.00 0.00 0.00 178.44 179.72 2kfw n ALA 126 N -2.73 0.02 0.00 1.53 0.00 -1.24 0.18 120.51 118.27 2kfw n ALA 126 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kfw n ALA 126 Cb 0.09 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 4.77 2.07 2.47 0.00 0.00 -1.26 -4.66 105.19 108.59 2kfw n GLY 127 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 2kfw n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfw s GLN 128 N -0.67 1.09 1.24 1.61 -0.21 0.47 -5.08 119.66 118.11 2kfw s GLN 128 Ca 0.00 -2.21 -0.16 0.00 0.02 0.00 0.00 55.36 53.02 2kfw s GLN 128 Cb 0.00 -1.70 0.29 0.00 1.00 0.00 0.00 33.01 32.60 2kfw s GLN 128 CO 0.00 -1.35 0.81 0.27 -2.12 0.00 0.00 175.29 172.90 2kfw n ASN 129 N 2.85 -2.45 -4.04 5.90 6.94 -1.24 -4.42 115.26 118.81 2kfw n ASN 129 Ca 0.26 -0.33 -0.13 0.00 -0.02 0.00 0.00 54.58 54.36 2kfw n ASN 129 Cb 0.45 -1.14 -0.12 0.00 -2.36 0.00 0.00 39.78 36.61 2kfw n ASN 129 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 2kfw s LEU 130 N -6.32 2.22 -0.07 -4.53 2.34 -1.26 -4.34 118.68 106.72 2kfw s LEU 130 Ca 0.66 -0.49 0.01 0.00 0.06 0.00 0.00 54.13 54.37 2kfw s LEU 130 Cb -0.21 -0.14 -0.03 0.00 -0.56 0.00 0.00 46.19 45.26 2kfw s LEU 130 CO 0.63 -0.18 -0.09 -1.59 -1.06 0.00 0.00 176.35 174.06 2kfw s LYS 131 N -1.38 2.80 0.02 1.48 -2.85 -1.18 -2.29 119.74 116.34 2kfw s LYS 131 Ca -0.09 -0.59 -0.05 0.00 -1.00 0.00 0.00 55.97 54.24 2kfw s LYS 131 Cb -0.09 -2.57 -0.01 0.00 -2.06 0.00 0.00 37.83 33.10 2kfw s LYS 131 CO 0.00 0.59 0.08 -0.59 0.10 0.00 0.00 175.35 175.53 2kfw s PHE 132 N -0.63 0.14 0.26 1.78 -0.12 -1.10 -2.10 117.98 116.21 2kfw s PHE 132 Ca 0.09 -0.34 -0.10 0.00 -0.05 0.00 0.00 56.93 56.54 2kfw s PHE 132 Cb -0.11 -0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.09 2kfw s PHE 132 CO 0.02 -0.27 0.59 -0.80 -0.05 0.00 0.00 175.22 174.70 2kfw s ASN 133 N -1.57 6.62 -0.05 1.98 -0.87 -0.80 -2.67 114.94 117.59 2kfw s ASN 133 Ca -0.13 0.96 0.01 0.00 -1.57 0.00 0.00 52.86 52.13 2kfw s ASN 133 Cb -0.07 -2.24 0.02 0.00 -0.02 0.00 0.00 41.25 38.94 2kfw s ASN 133 CO -0.00 -0.12 -0.05 -0.69 -2.57 0.00 0.00 177.10 173.66 2kfw s VAL 134 N -1.90 0.61 -0.16 1.60 1.01 0.18 -2.56 120.40 119.18 2kfw s VAL 134 Ca 0.48 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.31 2kfw s VAL 134 Cb -0.11 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2kfw s VAL 134 CO 0.22 0.24 -0.18 -0.70 0.00 0.00 0.00 175.10 174.68 2kfw s GLU 135 N 0.90 2.74 0.23 2.72 -6.30 -0.55 -1.71 118.70 116.73 2kfw s GLU 135 Ca -0.11 -0.74 -0.30 0.00 -2.50 0.00 0.00 54.97 51.32 2kfw s GLU 135 Cb -0.14 -2.36 -0.09 0.00 0.00 0.00 0.00 34.13 31.54 2kfw s GLU 135 CO 0.00 -0.17 1.03 0.08 0.02 0.00 0.00 175.26 176.22 2kfw s VAL 136 N 1.24 3.88 -0.06 3.70 1.01 -0.91 -2.54 120.40 126.72 2kfw s VAL 136 Ca 0.02 1.80 0.08 0.00 0.00 0.00 0.00 61.98 63.88 2kfw s VAL 136 Cb -0.14 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 2kfw s VAL 136 CO -0.10 0.39 0.08 1.33 0.00 0.00 0.00 175.10 176.81 2kfw n VAL 137 N 1.69 0.40 -3.64 2.92 0.24 0.14 -1.26 118.33 118.81 2kfw n VAL 137 Ca -0.00 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 2kfw n VAL 137 Cb 0.46 -0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 32.36 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kfw s ALA 138 N -2.33 -1.56 -0.28 2.33 0.00 -1.24 -4.73 121.76 113.95 2kfw s ALA 138 Ca -0.04 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2kfw s ALA 138 Cb 0.03 0.71 0.15 0.00 0.00 0.00 0.00 23.12 24.02 2kfw s ALA 138 CO 0.35 -0.90 0.38 0.42 0.00 0.00 0.00 175.76 176.02 2kfw s ILE 139 N -3.54 -0.59 0.06 0.00 1.01 -1.24 -3.16 121.20 113.73 2kfw s ILE 139 Ca 0.07 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.53 2kfw s ILE 139 Cb -0.02 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2kfw s ILE 139 CO -0.03 -0.28 -0.25 -0.60 0.00 0.00 0.00 174.94 173.78 2kfw s ARG 140 N 2.51 1.61 0.32 2.79 3.52 -0.26 -4.85 118.95 124.60 2kfw s ARG 140 Ca 0.10 -1.10 -0.29 0.00 -0.13 0.00 0.00 55.73 54.31 2kfw s ARG 140 Cb -0.13 -1.82 -0.11 0.00 -1.56 0.00 0.00 34.95 31.33 2kfw s ARG 140 CO -0.28 0.46 1.49 -1.83 -0.81 0.00 0.00 175.30 174.33 2kfw s GLU 141 N -1.37 4.17 0.62 5.12 -1.05 -1.26 0.29 118.70 125.23 2kfw s GLU 141 Ca 0.11 2.48 -0.08 0.00 -0.15 0.00 0.00 54.97 57.32 2kfw s GLU 141 Cb -0.10 -3.03 -0.00 0.00 -0.44 0.00 0.00 34.13 30.57 2kfw s GLU 141 CO 0.03 -0.50 0.97 0.00 0.95 0.00 0.00 175.26 176.71 2kfw s ALA 142 N -0.54 3.14 1.09 -0.84 0.00 -0.19 -4.67 121.76 119.74 2kfw s ALA 142 Ca 0.57 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2kfw s ALA 142 Cb -0.45 -2.82 0.24 0.00 0.00 0.00 0.00 23.12 20.09 2kfw s ALA 142 CO 0.53 -0.85 1.19 0.99 0.00 0.00 0.00 175.76 177.62 2kfw s THR 143 N -3.12 1.78 0.26 0.00 2.01 -1.26 -4.66 115.64 110.65 2kfw s THR 143 Ca 0.55 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 2kfw s THR 143 Cb -0.11 -2.70 0.25 0.00 0.01 0.00 0.00 72.50 69.95 2kfw s THR 143 CO 0.49 0.00 1.84 -0.33 -0.69 0.00 0.00 174.62 175.93 2kfw h GLU 144 N -2.14 0.95 -0.21 4.92 5.08 -1.98 -1.29 114.58 119.90 2kfw h GLU 144 Ca -0.45 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 57.64 2kfw h GLU 144 Cb 1.28 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kfw h GLU 144 CO 0.38 0.63 -0.68 1.49 -1.00 0.00 0.00 179.01 179.83 2kfw h GLU 145 N 0.98 0.82 -0.73 2.33 4.81 -1.96 0.33 114.58 121.16 2kfw h GLU 145 Ca 0.43 -0.60 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2kfw h GLU 145 Cb 0.31 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2kfw h GLU 145 CO -0.22 1.22 0.45 0.93 -0.73 0.00 0.00 179.01 180.66 2kfw h GLU 146 N 0.59 0.83 0.00 1.92 5.08 -1.50 0.17 114.58 121.66 2kfw h GLU 146 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2kfw h GLU 146 Cb 1.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kfw h GLU 146 CO 0.14 0.55 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.34 2kfw h LEU 147 N 0.85 0.00 0.12 1.33 -0.00 -1.24 1.16 115.31 117.53 2kfw h LEU 147 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.18 2kfw h LEU 147 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2kfw h LEU 147 CO -0.14 0.09 -0.06 0.00 -0.00 0.00 0.00 178.44 178.33 2kfw h ALA 148 N 1.91 -0.17 -0.01 1.53 0.00 0.23 -3.25 119.26 119.51 2kfw h ALA 148 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kfw h ALA 148 Cb 1.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kfw h ALA 148 CO 0.01 -0.27 -0.23 0.72 0.00 0.00 0.00 179.25 179.48 2kfw n HIS 149 N -4.89 0.00 -2.33 0.00 8.25 -0.06 -4.95 115.22 111.24 2kfw n HIS 149 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 2kfw n HIS 149 Cb 0.28 -0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 1.33 0.11 2.28 -1.41 0.00 -0.26 -4.91 105.19 102.33 2kfw n GLY 150 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2kfw n GLY 150 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfw n HIS 151 N -2.20 -1.78 -3.88 1.61 8.25 0.38 -3.94 115.22 113.67 2kfw n HIS 151 Ca -0.06 -1.16 -0.26 0.00 -0.26 0.00 0.00 57.72 55.98 2kfw n HIS 151 Cb 0.55 0.55 -0.17 0.00 1.12 0.00 0.00 29.99 32.04 2kfw n HIS 151 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2kfw s VAL 152 N -2.47 0.92 -0.20 1.59 -7.23 -1.26 -4.15 120.40 107.59 2kfw s VAL 152 Ca 0.10 -0.24 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 2kfw s VAL 152 Cb -0.03 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.97 2kfw s VAL 152 CO 0.08 0.33 0.16 1.57 -0.31 0.00 0.00 175.10 176.93 2kfw n HIS 153 N 4.98 -3.96 -0.33 2.82 -0.00 -1.26 -4.87 115.22 112.60 2kfw n HIS 153 Ca -0.11 2.15 0.03 0.00 0.46 0.00 0.00 57.72 60.25 2kfw n HIS 153 Cb 0.50 -3.68 -0.02 0.00 -0.12 0.00 0.00 29.99 26.67 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 1.49 -2.83 0.00 1.57 0.00 -1.26 -5.09 105.19 99.07 2kfw n GLY 154 Ca -0.27 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.44 0.00 1.65 4.61 0.00 -1.26 -4.86 120.51 118.22 2kfw n ALA 155 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2kfw n ALA 155 Cb 0.15 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.99 2kfw n ALA 155 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfw n HIS 156 N 0.00 0.11 0.09 0.00 8.25 -1.26 -3.68 115.22 118.72 2kfw n HIS 156 Ca 0.00 -0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.34 2kfw n HIS 156 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2kfw n HIS 156 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2kfw h ASP 157 N 0.90 0.14 -1.59 0.41 1.82 -2.01 -3.46 116.42 112.62 2kfw h ASP 157 Ca 0.00 -0.12 -0.62 0.00 -0.39 0.00 0.00 57.03 55.90 2kfw h ASP 157 Cb 0.20 -0.04 -0.12 0.00 0.68 0.00 0.00 39.33 40.05 2kfw h ASP 157 CO 0.00 0.94 -0.58 -1.38 -1.61 0.00 0.00 179.24 176.61 2kfw s HIS 158 N -3.13 2.51 -0.43 0.28 -3.43 -1.24 -4.90 115.29 104.94 2kfw s HIS 158 Ca -0.01 -0.67 -0.10 0.00 -0.80 0.00 0.00 55.06 53.48 2kfw s HIS 158 Cb 0.10 -1.81 0.01 0.00 -1.43 0.00 0.00 32.58 29.46 2kfw s HIS 158 CO 0.81 0.39 0.53 0.72 -2.00 0.00 0.00 174.74 175.19 2kfw n HIS 159 N -1.03 -2.81 -2.69 0.38 8.25 -1.26 -4.93 115.22 111.13 2kfw n HIS 159 Ca -0.05 1.11 -0.06 0.00 -0.26 0.00 0.00 57.72 58.46 2kfw n HIS 159 Cb 0.67 -3.68 0.11 0.00 1.12 0.00 0.00 29.99 28.21 2kfw n HIS 159 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kfw n HIS 160 N -0.71 -2.06 -0.95 4.41 -0.00 -1.26 -4.98 115.22 109.67 2kfw n HIS 160 Ca 0.07 -1.97 -0.12 0.00 -0.00 0.00 0.00 57.72 55.70 2kfw n HIS 160 Cb 0.42 1.41 -0.08 0.00 -0.00 0.00 0.00 29.99 31.74 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2kfw n ASP 161 N -0.67 5.67 -0.13 0.26 8.00 -1.26 -4.21 116.55 124.21 2kfw n ASP 161 Ca -0.04 -2.68 -0.25 0.00 0.71 0.00 0.00 54.79 52.53 2kfw n ASP 161 Cb 0.85 -1.26 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 2kfw n ASP 161 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kfw n HIS 162 N 1.63 0.05 -1.66 1.24 8.25 -1.26 -4.93 115.22 118.54 2kfw n HIS 162 Ca 0.31 0.02 -0.59 0.00 -0.26 0.00 0.00 57.72 57.20 2kfw n HIS 162 Cb 0.69 -0.91 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2kfw n ASP 163 N -4.30 1.51 -3.70 0.41 8.00 -1.26 -4.93 116.55 112.28 2kfw n ASP 163 Ca -0.46 1.13 -0.13 0.00 0.71 0.00 0.00 54.79 56.04 2kfw n ASP 163 Cb 0.80 -1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 2kfw n ASP 163 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2kfw s HIS 164 N 2.12 -0.24 1.12 1.24 2.46 -1.26 -5.16 115.29 115.57 2kfw s HIS 164 Ca 0.96 0.26 -0.19 0.00 0.47 0.00 0.00 55.06 56.56 2kfw s HIS 164 Cb -1.19 0.17 0.29 0.00 -0.13 0.00 0.00 32.58 31.72 2kfw s HIS 164 CO 0.64 -0.51 0.67 -0.40 -2.47 0.00 0.00 174.74 172.68 2kfw n ASP 165 N 0.78 -3.60 0.00 9.88 5.75 -1.26 -5.06 116.55 123.04 2kfw n ASP 165 Ca -0.19 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2kfw n ASP 165 Cb 0.58 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfw n GLY 166 N -4.38 3.14 2.73 6.12 0.00 -1.26 -5.08 105.19 106.46 2kfw n GLY 166 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 1.22 0.96 0.30 0.00 0.00 -1.26 -5.00 105.19 101.41 2kfw n GLY 169 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.75 2.78 -0.02 0.00 -1.26 -4.38 105.19 100.56 2kfw n GLY 170 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.29 2.75 0.17 1.61 -0.00 -1.26 -4.73 115.22 111.47 2kfw n HIS 171 Ca -0.00 -2.76 0.05 0.00 -0.00 0.00 0.00 57.72 55.01 2kfw n HIS 171 Cb 0.14 -1.82 0.50 0.00 -0.00 0.00 0.00 29.99 28.81 2kfw n HIS 171 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2kfw h GLY 172 N 6.94 0.17 0.00 -1.41 0.00 -1.92 -3.41 103.07 103.44 2kfw h GLY 172 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2kfw h GLY 172 CO 1.55 0.08 0.00 1.42 0.00 0.00 0.00 176.54 179.59 2kfw n HIS 173 N -4.41 0.00 -1.46 5.60 -0.00 -1.26 -4.70 115.22 108.99 2kfw n HIS 173 Ca -0.01 0.00 -0.51 0.00 -0.00 0.00 0.00 57.72 57.20 2kfw n HIS 173 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 2kfw n HIS 173 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2kfw n ASP 174 N 0.00 -0.43 -4.87 0.41 -0.08 -1.26 -4.93 116.55 105.38 2kfw n ASP 174 Ca 0.00 1.14 -0.28 0.00 -1.51 0.00 0.00 54.79 54.14 2kfw n ASP 174 Cb 0.00 -1.00 -0.05 0.00 2.34 0.00 0.00 41.12 42.42 2kfw n ASP 174 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2kfw s HIS 175 N -0.63 3.36 -1.05 -0.67 3.76 -1.26 -4.94 115.29 113.85 2kfw s HIS 175 Ca 0.72 0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 55.67 2kfw s HIS 175 Cb -1.00 -1.65 0.26 0.00 1.11 0.00 0.00 32.58 31.31 2kfw s HIS 175 CO 0.56 0.54 1.02 0.20 -0.85 0.00 0.00 174.74 176.21 2kfw s GLY 176 N -2.82 3.18 0.00 -2.22 0.00 -1.26 -4.91 107.32 99.29 2kfw s GLY 176 Ca 0.33 -3.83 -0.00 0.00 0.00 0.00 0.00 44.72 41.22 2kfw s GLY 176 CO 0.26 1.30 0.85 0.45 0.00 0.00 0.00 173.10 175.95 2kfw h HIS 177 N 6.56 -0.01 -1.99 1.90 3.86 -2.03 -3.40 115.15 120.02 2kfw h HIS 177 Ca 0.17 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.79 2kfw h HIS 177 Cb 0.87 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.35 2kfw h HIS 177 CO 0.76 -0.01 1.35 -1.91 0.86 0.00 0.00 177.93 178.98 2kfw n GLU 178 N -2.04 2.16 -3.66 2.45 2.13 -1.26 -4.89 120.64 115.53 2kfw n GLU 178 Ca -0.00 0.70 -0.01 0.00 0.66 0.00 0.00 57.16 58.51 2kfw n GLU 178 Cb 0.01 -2.99 -0.01 0.00 0.27 0.00 0.00 31.44 28.72 2kfw n GLU 178 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kfw s HIS 179 N 6.41 -0.09 0.00 4.31 2.46 -1.26 -4.98 115.29 122.14 2kfw s HIS 179 Ca 0.97 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 56.41 2kfw s HIS 179 Cb -0.48 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 2kfw s HIS 179 CO 0.42 -0.48 0.00 0.41 -2.47 0.00 0.00 174.74 172.61 2kfw n GLY 180 N -0.46 1.84 1.17 1.59 0.00 -1.26 -4.90 105.19 103.18 2kfw n GLY 180 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.24 -2.30 3.32 -0.02 0.00 -1.26 -4.70 105.19 98.99 2kfw n GLY 181 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.87 -1.72 -0.05 1.61 0.28 -1.26 -4.68 120.64 110.96 2kfw n GLU 182 Ca -0.02 0.07 -0.05 0.00 -0.16 0.00 0.00 57.16 56.99 2kfw n GLU 182 Cb 0.54 -4.15 -0.07 0.00 1.43 0.00 0.00 31.44 29.19 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 -0.74 -0.42 0.36 -1.84 0.00 -1.26 -4.57 105.19 96.72 2kfw n GLY 183 Ca 0.06 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 5.20 -1.30 0.08 0.00 0.00 -1.26 -4.71 105.19 103.20 2kfw n GLY 186 Ca -0.06 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 2kfw n GLY 186 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kfw h GLY 187 N 3.43 0.09 -3.28 -0.02 0.00 -1.99 -3.48 103.07 97.82 2kfw h GLY 187 Ca -0.20 -0.24 0.21 0.00 0.00 0.00 0.00 47.33 47.10 2kfw h GLY 187 CO -0.06 0.21 0.66 -1.59 0.00 0.00 0.00 176.54 175.76 2kfw s LYS 188 N -2.67 0.61 0.00 4.80 0.00 -1.26 -5.18 119.74 116.05 2kfw s LYS 188 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 55.68 2kfw s LYS 188 Cb 0.09 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.17 2kfw s LYS 188 CO 0.84 -0.27 0.00 0.41 0.00 0.00 0.00 175.35 176.32 2kfw n GLY 189 N -0.26 1.75 0.13 0.59 0.00 -1.26 -5.05 105.19 101.09 2kfw n GLY 189 Ca -0.05 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 2.03 -3.65 1.61 4.13 -1.26 -5.01 115.26 113.11 2kfw n ASN 190 Ca 0.00 0.28 -0.00 0.00 1.68 0.00 0.00 54.58 56.54 2kfw n ASN 190 Cb 0.00 -0.90 -0.06 0.00 -1.54 0.00 0.00 39.78 37.28 2kfw n ASN 190 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2kfw s GLY 191 N -5.33 0.47 -0.07 7.41 0.00 -1.26 -5.05 107.32 103.50 2kfw s GLY 191 Ca -0.25 3.65 0.13 0.00 0.00 0.00 0.00 44.72 48.26 2kfw s GLY 191 CO 0.70 2.42 1.12 0.61 0.00 0.00 0.00 173.10 177.95 2kfw n GLY 192 N 2.53 2.41 2.79 0.20 0.00 -1.26 -4.88 105.19 106.98 2kfw n GLY 192 Ca -0.15 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N -0.17 -0.14 0.00 0.00 0.00 -1.26 -4.52 105.19 99.11 2kfw n GLY 194 Ca 0.39 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32