#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfw s LYS 2 N 0.00 1.44 0.43 2.12 2.20 -1.26 -4.89 119.74 119.77 2kfw s LYS 2 Ca 0.00 -1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 53.77 2kfw s LYS 2 Cb 0.00 0.35 -0.08 0.00 -1.51 0.00 0.00 37.83 36.59 2kfw s LYS 2 CO 0.00 -0.53 1.12 0.54 -0.36 0.00 0.00 175.35 176.11 2kfw s VAL 3 N -3.90 3.38 0.28 4.02 0.11 -1.26 -4.97 120.40 118.06 2kfw s VAL 3 Ca 0.34 1.06 -0.14 0.00 -2.93 0.00 0.00 61.98 60.31 2kfw s VAL 3 Cb 0.04 -3.55 0.01 0.00 -1.53 0.00 0.00 36.38 31.35 2kfw s VAL 3 CO 0.14 0.01 0.56 0.00 -3.33 0.00 0.00 175.10 172.48 2kfw s ALA 4 N -1.58 -0.37 1.23 1.54 0.00 -1.26 -4.60 121.76 116.72 2kfw s ALA 4 Ca 0.60 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2kfw s ALA 4 Cb -0.26 0.99 0.31 0.00 0.00 0.00 0.00 23.12 24.16 2kfw s ALA 4 CO 0.32 -0.90 1.00 0.15 0.00 0.00 0.00 175.76 176.33 2kfw s LYS 5 N -3.69 -1.47 -1.60 0.00 1.02 -1.26 -3.33 119.74 109.41 2kfw s LYS 5 Ca 0.20 0.67 -0.07 0.00 0.02 0.00 0.00 55.97 56.80 2kfw s LYS 5 Cb -0.02 -1.50 0.06 0.00 -0.52 0.00 0.00 37.83 35.85 2kfw s LYS 5 CO 0.10 -4.05 0.30 -0.25 -0.92 0.00 0.00 175.35 170.53 2kfw n ASP 6 N -5.12 -0.34 -3.62 2.83 9.92 -1.15 -4.76 116.55 114.31 2kfw n ASP 6 Ca 0.04 -1.18 -0.19 0.00 -0.53 0.00 0.00 54.79 52.93 2kfw n ASP 6 Cb 0.55 -2.06 -0.16 0.00 -0.64 0.00 0.00 41.12 38.81 2kfw n ASP 6 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kfw s LEU 7 N -7.25 0.03 0.06 0.64 2.96 -1.21 -3.99 118.68 109.92 2kfw s LEU 7 Ca 0.24 0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 2kfw s LEU 7 Cb -0.14 0.13 -0.08 0.00 0.50 0.00 0.00 46.19 46.60 2kfw s LEU 7 CO 0.97 -0.28 1.73 0.54 -1.32 0.00 0.00 176.35 177.99 2kfw s VAL 8 N 2.25 2.99 -0.05 1.68 0.11 0.42 -3.62 120.40 124.18 2kfw s VAL 8 Ca 0.04 0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 2kfw s VAL 8 Cb -0.13 -3.23 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2kfw s VAL 8 CO -0.07 -0.01 0.07 0.68 -3.33 0.00 0.00 175.10 172.44 2kfw s VAL 9 N 3.07 -0.13 -0.11 2.04 -7.23 -1.07 -1.53 120.40 115.45 2kfw s VAL 9 Ca 0.77 0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 61.16 2kfw s VAL 9 Cb -0.41 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2kfw s VAL 9 CO 0.34 0.17 0.55 -0.44 -0.31 0.00 0.00 175.10 175.41 2kfw s SER 10 N 2.18 6.77 -0.16 4.85 0.01 -1.18 -3.11 113.70 123.06 2kfw s SER 10 Ca 0.05 0.92 -0.03 0.00 1.31 0.00 0.00 55.95 58.20 2kfw s SER 10 Cb -0.12 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2kfw s SER 10 CO -0.03 -0.05 0.04 -0.76 0.41 0.00 0.00 173.24 172.85 2kfw s LEU 11 N 0.77 0.83 0.09 2.44 1.43 -0.60 0.56 118.68 124.20 2kfw s LEU 11 Ca 0.29 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2kfw s LEU 11 Cb -0.16 -0.46 -0.06 0.00 0.03 0.00 0.00 46.19 45.53 2kfw s LEU 11 CO 0.13 -0.30 0.51 0.00 0.23 0.00 0.00 176.35 176.92 2kfw s ALA 12 N 1.96 3.62 -0.06 4.21 0.00 -0.85 -3.66 121.76 126.99 2kfw s ALA 12 Ca 0.01 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 2kfw s ALA 12 Cb -0.16 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.52 2kfw s ALA 12 CO -0.08 0.46 0.56 1.52 0.00 0.00 0.00 175.76 178.22 2kfw s TYR 13 N -1.29 -0.51 -0.16 0.00 1.13 -1.25 -0.44 117.35 114.84 2kfw s TYR 13 Ca 0.32 0.91 -0.05 0.00 -1.41 0.00 0.00 57.07 56.84 2kfw s TYR 13 Cb -0.16 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.96 2kfw s TYR 13 CO 0.18 -0.51 0.01 -1.14 -2.51 0.00 0.00 175.55 171.58 2kfw s GLN 14 N -1.08 3.70 0.04 -3.49 0.74 -0.79 -2.13 119.66 116.64 2kfw s GLN 14 Ca -0.11 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 54.92 2kfw s GLN 14 Cb -0.02 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 2kfw s GLN 14 CO 0.07 0.33 -0.08 0.54 -0.55 0.00 0.00 175.29 175.60 2kfw s VAL 15 N 0.16 3.53 -0.10 1.34 0.11 -1.15 -1.99 120.40 122.31 2kfw s VAL 15 Ca 0.02 -0.95 -0.08 0.00 -2.93 0.00 0.00 61.98 58.04 2kfw s VAL 15 Cb -0.13 -2.57 0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2kfw s VAL 15 CO 0.02 0.30 0.25 -0.60 -3.33 0.00 0.00 175.10 171.74 2kfw s ARG 16 N -1.68 0.27 0.20 1.54 3.52 -0.80 -3.38 118.95 118.61 2kfw s ARG 16 Ca 0.19 0.42 -0.05 0.00 -0.13 0.00 0.00 55.73 56.16 2kfw s ARG 16 Cb -0.11 0.05 -0.06 0.00 -1.56 0.00 0.00 34.95 33.27 2kfw s ARG 16 CO 0.10 -0.08 0.45 0.95 -0.81 0.00 0.00 175.30 175.90 2kfw s THR 17 N 0.54 5.10 0.51 4.11 -4.23 0.21 -3.07 115.64 118.81 2kfw s THR 17 Ca -0.03 0.04 0.43 0.00 -1.18 0.00 0.00 61.69 60.96 2kfw s THR 17 Cb -0.05 -3.67 0.65 0.00 1.34 0.00 0.00 72.50 70.77 2kfw s THR 17 CO -0.03 -0.10 1.52 1.21 -0.54 0.00 0.00 174.62 176.68 2kfw n GLU 18 N -0.31 -0.01 0.07 3.99 0.00 -1.26 0.24 120.64 123.35 2kfw n GLU 18 Ca -0.02 1.11 0.04 0.00 0.00 0.00 0.00 57.16 58.29 2kfw n GLU 18 Cb 0.53 -2.43 0.23 0.00 0.00 0.00 0.00 31.44 29.76 2kfw n GLU 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kfw n ASP 19 N -4.14 0.22 0.00 4.31 -0.08 -1.26 -4.75 116.55 110.84 2kfw n ASP 19 Ca 0.42 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2kfw n ASP 19 Cb 1.83 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 44.68 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kfw n GLY 20 N -1.40 0.69 3.37 0.27 0.00 0.66 -5.06 105.19 103.72 2kfw n GLY 20 Ca -0.01 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 2kfw n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfw s VAL 21 N -2.00 2.13 -0.22 1.61 -7.23 -1.17 -4.90 120.40 108.63 2kfw s VAL 21 Ca 0.00 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 2kfw s VAL 21 Cb 0.00 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2kfw s VAL 21 CO 0.00 -0.03 0.11 -0.76 -0.31 0.00 0.00 175.10 174.11 2kfw s LEU 22 N -2.25 3.92 0.20 1.32 1.02 -1.26 0.67 118.68 122.30 2kfw s LEU 22 Ca 0.14 0.06 0.08 0.00 0.02 0.00 0.00 54.13 54.44 2kfw s LEU 22 Cb -0.09 -2.03 0.08 0.00 0.02 0.00 0.00 46.19 44.17 2kfw s LEU 22 CO 0.07 0.10 1.45 0.58 0.02 0.00 0.00 176.35 178.56 2kfw h VAL 23 N 5.02 1.57 0.00 -1.59 2.07 -1.93 -3.48 116.25 117.91 2kfw h VAL 23 Ca -0.38 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.41 2kfw h VAL 23 Cb 1.17 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 2kfw h VAL 23 CO 0.67 0.78 0.00 -0.67 0.02 0.00 0.00 177.57 178.37 2kfw n ASP 24 N -3.60 0.00 -3.78 0.57 -0.08 -1.26 -5.09 116.55 103.31 2kfw n ASP 24 Ca -0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.16 2kfw n ASP 24 Cb 0.77 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.16 2kfw n ASP 24 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2kfw s GLU 25 N -2.00 0.80 -0.35 -0.67 -1.05 -1.26 -2.91 118.70 111.25 2kfw s GLU 25 Ca 0.00 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 54.12 2kfw s GLU 25 Cb 0.00 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2kfw s GLU 25 CO 0.00 -0.26 0.16 0.45 0.95 0.00 0.00 175.26 176.56 2kfw s SER 26 N -2.22 5.53 1.16 0.83 0.15 -0.91 -4.95 113.70 113.29 2kfw s SER 26 Ca -0.03 -1.01 -0.19 0.00 0.70 0.00 0.00 55.95 55.42 2kfw s SER 26 Cb 0.00 -1.96 0.27 0.00 -1.71 0.00 0.00 66.02 62.62 2kfw s SER 26 CO -0.05 -0.34 1.14 -0.81 1.20 0.00 0.00 173.24 174.38 2kfw n PRO 27 N 4.92 -2.47 -0.05 5.44 -0.04 -1.23 -3.81 135.00 137.76 2kfw n PRO 27 Ca -0.12 -1.80 -0.14 0.00 -0.04 0.00 0.00 63.50 61.40 2kfw n PRO 27 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2kfw n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kfw h VAL 28 N -2.38 1.29 0.00 0.52 2.07 -2.00 -2.71 116.25 113.04 2kfw h VAL 28 Ca -0.41 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.32 2kfw h VAL 28 Cb 1.19 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2kfw h VAL 28 CO 0.27 0.58 0.00 -1.54 0.02 0.00 0.00 177.57 176.90 2kfw n SER 29 N -3.98 0.00 -3.04 0.57 3.41 -1.26 -3.86 113.62 105.46 2kfw n SER 29 Ca -0.05 -0.26 -0.18 0.00 -0.26 0.00 0.00 58.87 58.13 2kfw n SER 29 Cb 0.65 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2kfw n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kfw n ALA 30 N -1.18 1.12 -1.42 7.33 0.00 -1.03 -5.13 120.51 120.20 2kfw n ALA 30 Ca 0.12 -2.72 -0.30 0.00 0.00 0.00 0.00 53.44 50.54 2kfw n ALA 30 Cb 0.13 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.67 1.85 -0.82 0.00 0.04 -1.16 -3.58 135.00 130.64 2kfw s PRO 31 Ca 0.34 0.74 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2kfw s PRO 31 Cb 0.21 -1.88 0.21 0.00 0.04 0.00 0.00 34.50 33.07 2kfw s PRO 31 CO -0.15 -1.81 0.79 -0.51 0.04 0.00 0.00 177.00 175.36 2kfw s LEU 32 N -5.93 6.55 -0.18 -3.56 1.43 -1.24 -4.86 118.68 110.89 2kfw s LEU 32 Ca 0.62 -2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 50.99 2kfw s LEU 32 Cb -0.16 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2kfw s LEU 32 CO 0.55 -0.64 0.35 -0.62 0.23 0.00 0.00 176.35 176.22 2kfw s ASP 33 N 2.38 6.43 0.23 2.29 2.15 -1.26 -1.55 116.67 127.35 2kfw s ASP 33 Ca 0.19 0.51 -0.22 0.00 0.43 0.00 0.00 52.55 53.45 2kfw s ASP 33 Cb -0.11 -2.21 0.04 0.00 -0.30 0.00 0.00 42.92 40.34 2kfw s ASP 33 CO -0.08 0.00 0.74 -0.31 -0.17 0.00 0.00 175.17 175.34 2kfw s TYR 34 N 0.95 -0.25 0.79 -5.34 2.02 -1.18 -4.75 117.35 109.59 2kfw s TYR 34 Ca 0.18 -0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.63 2kfw s TYR 34 Cb -0.14 0.67 0.07 0.00 -0.40 0.00 0.00 41.96 42.15 2kfw s TYR 34 CO 0.06 -1.10 1.10 -1.17 -1.57 0.00 0.00 175.55 172.88 2kfw s LEU 35 N -2.88 3.03 0.06 -1.29 2.96 -0.51 -2.60 118.68 117.45 2kfw s LEU 35 Ca 0.09 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.91 2kfw s LEU 35 Cb -0.04 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.08 2kfw s LEU 35 CO 0.02 -2.16 0.07 -2.28 -1.32 0.00 0.00 176.35 170.69 2kfw s HIS 36 N -2.84 3.19 0.00 5.38 5.65 -1.24 -2.23 115.29 123.20 2kfw s HIS 36 Ca 0.62 0.09 0.00 0.00 0.25 0.00 0.00 55.06 56.03 2kfw s HIS 36 Cb -0.18 -1.64 0.00 0.00 -1.18 0.00 0.00 32.58 29.58 2kfw s HIS 36 CO 0.56 0.52 0.00 0.41 -0.65 0.00 0.00 174.74 175.58 2kfw n GLY 37 N 0.63 1.72 2.69 1.59 0.00 -1.26 -2.91 105.19 107.65 2kfw n GLY 37 Ca -0.10 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2kfw n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kfw s HIS 38 N 0.00 2.05 0.00 1.61 0.00 -1.26 -4.84 115.29 112.85 2kfw s HIS 38 Ca 0.00 -2.52 0.00 0.00 -3.00 0.00 0.00 55.06 49.54 2kfw s HIS 38 Cb 0.00 -1.85 0.00 0.00 -4.00 0.00 0.00 32.58 26.73 2kfw s HIS 38 CO 0.00 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 173.39 2kfw n GLY 39 N 3.24 0.73 0.00 -1.38 0.00 -1.26 -4.69 105.19 101.83 2kfw n GLY 39 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.00 0.00 1.61 3.41 -0.95 -1.42 113.62 116.27 2kfw n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kfw n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.98 0.00 -3.92 1.04 4.32 -1.26 -4.86 117.00 111.34 2kfw n LEU 41 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2kfw n LEU 41 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 2kfw n LEU 41 CO 0.00 0.00 -0.29 -0.63 -1.22 0.00 0.00 177.39 175.25 2kfw s ILE 42 N 0.03 0.08 0.62 -0.08 1.01 -1.26 -5.01 121.20 116.59 2kfw s ILE 42 Ca 0.00 -0.64 0.33 0.00 0.00 0.00 0.00 60.65 60.34 2kfw s ILE 42 Cb 0.00 -0.27 0.37 0.00 0.01 0.00 0.00 42.46 42.57 2kfw s ILE 42 CO 0.00 -0.35 2.17 -1.28 0.00 0.00 0.00 174.94 175.48 2kfw h SER 43 N 4.87 0.00 0.03 3.58 0.87 -1.97 0.64 113.55 121.57 2kfw h SER 43 Ca -0.30 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.14 2kfw h SER 43 Cb 1.20 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2kfw h SER 43 CO 0.42 0.00 -0.48 1.23 -0.53 0.00 0.00 176.83 177.47 2kfw h GLY 44 N 0.00 0.31 1.46 5.77 0.00 -1.96 -3.27 103.07 105.37 2kfw h GLY 44 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2kfw h GLY 44 CO -0.00 0.53 -0.30 -0.10 0.00 0.00 0.00 176.54 176.67 2kfw n LEU 45 N -4.33 0.36 0.04 3.11 7.94 -0.69 -3.76 117.00 119.67 2kfw n LEU 45 Ca -0.11 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2kfw n LEU 45 Cb 0.63 -0.34 0.31 0.00 0.53 0.00 0.00 43.42 44.55 2kfw n LEU 45 CO 0.44 0.04 0.88 -0.08 -1.11 0.00 0.00 177.39 177.56 2kfw h GLU 46 N 0.00 0.43 0.00 1.96 4.81 0.21 -2.16 114.58 119.83 2kfw h GLU 46 Ca 0.00 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 2kfw h GLU 46 Cb 0.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2kfw h GLU 46 CO 0.00 0.53 -0.35 1.79 -0.73 0.00 0.00 179.01 180.25 2kfw h THR 47 N 0.40 0.88 0.00 0.32 1.35 -1.68 -2.81 112.91 111.37 2kfw h THR 47 Ca 0.08 -1.40 -0.08 0.00 -0.55 0.00 0.00 66.41 64.47 2kfw h THR 47 Cb 0.41 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 2kfw h THR 47 CO 0.02 0.34 -0.37 0.00 -0.25 0.00 0.00 175.52 175.26 2kfw h ALA 48 N 1.65 0.82 -0.13 6.62 0.00 -1.59 -3.27 119.26 123.36 2kfw h ALA 48 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2kfw h ALA 48 Cb 0.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kfw h ALA 48 CO 0.05 0.46 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 2kfw h LEU 49 N 0.00 0.30 -8.51 0.00 7.12 -1.28 -3.41 115.31 109.53 2kfw h LEU 49 Ca -0.00 -0.43 -0.70 0.00 0.13 0.00 0.00 57.88 56.87 2kfw h LEU 49 Cb 1.14 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.17 2kfw h LEU 49 CO 0.05 0.67 1.34 -0.62 -0.13 0.00 0.00 178.44 179.75 2kfw n GLU 50 N -4.65 0.88 -1.77 1.25 1.02 -1.23 -2.11 120.64 114.03 2kfw n GLU 50 Ca -0.06 0.25 -0.01 0.00 -0.02 0.00 0.00 57.16 57.32 2kfw n GLU 50 Cb 0.31 -2.23 0.01 0.00 -0.02 0.00 0.00 31.44 29.51 2kfw n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfw n GLY 51 N 6.45 0.13 0.00 0.62 0.00 -1.26 -4.99 105.19 106.15 2kfw n GLY 51 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.49 0.00 -1.21 1.61 -0.00 -0.90 -5.04 115.22 108.19 2kfw n HIS 52 Ca -0.01 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.24 2kfw n HIS 52 Cb 0.51 -0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 30.29 2kfw n HIS 52 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kfw n GLU 53 N -1.79 -3.00 -2.86 1.57 2.13 -1.26 -4.08 120.64 111.35 2kfw n GLU 53 Ca -0.01 2.39 -0.42 0.00 0.66 0.00 0.00 57.16 59.77 2kfw n GLU 53 Cb 0.28 -3.17 -0.04 0.00 0.27 0.00 0.00 31.44 28.78 2kfw n GLU 53 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kfw s VAL 54 N -4.61 4.78 0.00 6.31 -7.23 -1.26 -3.38 120.40 115.02 2kfw s VAL 54 Ca 0.00 1.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 2kfw s VAL 54 Cb 0.00 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.77 2kfw s VAL 54 CO 0.00 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2kfw n GLY 55 N 3.83 0.82 3.56 2.32 0.00 -1.18 -5.03 105.19 109.52 2kfw n GLY 55 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2kfw n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfw s ASP 56 N -1.97 6.20 0.32 1.61 2.15 -1.22 -4.94 116.67 118.82 2kfw s ASP 56 Ca 0.00 -0.06 -0.01 0.00 0.43 0.00 0.00 52.55 52.92 2kfw s ASP 56 Cb 0.00 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 2kfw s ASP 56 CO 0.00 -0.29 0.53 -1.59 -0.17 0.00 0.00 175.17 173.65 2kfw s LYS 57 N 2.05 3.51 -0.29 4.34 0.00 -1.26 -3.34 119.74 124.75 2kfw s LYS 57 Ca 0.13 -0.28 -0.25 0.00 0.00 0.00 0.00 55.97 55.57 2kfw s LYS 57 Cb -0.16 -2.68 0.14 0.00 0.00 0.00 0.00 37.83 35.13 2kfw s LYS 57 CO 0.11 0.18 1.14 0.12 0.00 0.00 0.00 175.35 176.91 2kfw s PHE 58 N -2.23 -0.36 -0.20 1.78 5.36 -0.39 -5.00 117.98 116.94 2kfw s PHE 58 Ca 0.40 0.87 -0.09 0.00 -0.96 0.00 0.00 56.93 57.16 2kfw s PHE 58 Cb -0.10 0.40 -0.05 0.00 -0.34 0.00 0.00 43.02 42.93 2kfw s PHE 58 CO 0.34 -0.17 0.11 0.16 -1.46 0.00 0.00 175.22 174.20 2kfw s ASP 59 N 0.16 6.00 -0.23 6.13 1.47 -1.26 -0.44 116.67 128.49 2kfw s ASP 59 Ca 0.04 0.17 0.02 0.00 1.18 0.00 0.00 52.55 53.96 2kfw s ASP 59 Cb -0.05 -2.05 0.05 0.00 -0.34 0.00 0.00 42.92 40.53 2kfw s ASP 59 CO -0.09 0.16 -0.10 -0.69 0.68 0.00 0.00 175.17 175.13 2kfw s VAL 60 N 0.44 1.88 -0.37 2.11 1.01 -1.07 -4.97 120.40 119.43 2kfw s VAL 60 Ca 0.06 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2kfw s VAL 60 Cb -0.12 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2kfw s VAL 60 CO -0.01 0.06 1.33 0.00 0.00 0.00 0.00 175.10 176.48 2kfw s ALA 61 N 1.26 3.21 -0.30 5.51 0.00 -1.26 -4.26 121.76 125.91 2kfw s ALA 61 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 2kfw s ALA 61 Cb -0.18 -3.86 0.18 0.00 0.00 0.00 0.00 23.12 19.26 2kfw s ALA 61 CO -0.07 -2.09 0.62 0.08 0.00 0.00 0.00 175.76 174.30 2kfw s VAL 62 N 4.84 -0.99 0.00 0.00 1.01 -1.07 -4.94 120.40 119.25 2kfw s VAL 62 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2kfw s VAL 62 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2kfw s VAL 62 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2kfw n GLY 63 N 5.43 0.05 0.15 4.51 0.00 -1.26 -4.13 105.19 109.94 2kfw n GLY 63 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.12 0.86 0.00 4.61 0.00 -1.89 -0.09 119.26 122.87 2kfw h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kfw h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kfw h ALA 64 CO 0.00 0.00 -0.09 -0.91 0.00 0.00 0.00 179.25 178.25 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 4.21 -1.96 -3.43 115.58 114.40 2kfw h ASN 65 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kfw h ASN 65 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 2kfw h ASN 65 CO 0.00 0.00 0.00 -0.67 -1.29 0.00 0.00 177.43 175.47 2kfw n ASP 66 N -2.83 0.00 0.00 5.81 -0.08 -1.22 -5.04 116.55 113.19 2kfw n ASP 66 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2kfw n ASP 66 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfw n ALA 67 N 0.00 0.00 -0.06 -1.67 0.00 -0.06 -3.77 120.51 114.96 2kfw n ALA 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2kfw n ALA 67 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2kfw n ALA 67 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2kfw h TYR 68 N 0.00 0.72 -4.73 0.00 0.05 -1.86 -3.48 116.97 107.67 2kfw h TYR 68 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2kfw h TYR 68 Cb 0.00 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.49 2kfw h TYR 68 CO 0.00 0.72 -1.21 0.41 -1.05 0.00 0.00 178.16 177.02 2kfw n GLY 69 N -0.62 -5.52 0.26 3.88 0.00 -1.16 -5.00 105.19 97.02 2kfw n GLY 69 Ca 0.02 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.67 2kfw n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kfw n GLN 70 N 1.71 0.43 -1.39 1.61 1.13 -1.26 -5.00 117.38 114.60 2kfw n GLN 70 Ca -0.18 0.14 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 2kfw n GLN 70 Cb 0.28 -1.27 -0.00 0.00 0.11 0.00 0.00 30.24 29.36 2kfw n GLN 70 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2kfw n TYR 71 N -3.47 -1.00 -3.97 1.08 4.11 -1.26 -4.96 117.16 107.69 2kfw n TYR 71 Ca -0.35 0.67 -0.30 0.00 -0.00 0.00 0.00 57.90 57.93 2kfw n TYR 71 Cb 0.80 -1.92 -0.16 0.00 -0.00 0.00 0.00 39.34 38.06 2kfw n TYR 71 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2kfw s ASP 72 N -0.96 2.95 0.64 9.48 1.11 -1.26 -4.94 116.67 123.69 2kfw s ASP 72 Ca 0.62 -0.66 0.29 0.00 0.18 0.00 0.00 52.55 52.98 2kfw s ASP 72 Cb -0.67 -1.12 1.57 0.00 1.07 0.00 0.00 42.92 43.76 2kfw s ASP 72 CO 0.60 -0.12 1.91 -0.33 1.18 0.00 0.00 175.17 178.40 2kfw h GLU 73 N 8.05 0.00 0.00 8.23 5.08 -1.99 0.22 114.58 134.17 2kfw h GLU 73 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2kfw h GLU 73 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kfw h GLU 73 CO 0.47 0.00 0.00 -0.97 -1.00 0.00 0.00 179.01 177.51 2kfw h ASN 74 N 0.00 0.00 -0.93 1.42 -0.00 -2.01 -2.81 115.58 111.25 2kfw h ASN 74 Ca 0.06 0.00 0.27 0.00 -0.00 0.00 0.00 56.30 56.63 2kfw h ASN 74 Cb 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.10 2kfw h ASN 74 CO -0.00 0.00 0.86 0.17 -0.00 0.00 0.00 177.43 178.46 2kfw h LEU 75 N 0.00 0.00 -9.67 0.34 8.10 -0.93 -3.40 115.31 109.75 2kfw h LEU 75 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.42 2kfw h LEU 75 Cb 0.10 0.00 0.09 0.00 -0.44 0.00 0.00 40.66 40.41 2kfw h LEU 75 CO 0.00 0.00 0.63 0.55 -4.11 0.00 0.00 178.44 175.51 2kfw n VAL 76 N -3.74 1.25 -4.29 0.15 3.14 -1.06 -4.86 118.33 108.92 2kfw n VAL 76 Ca 0.20 -0.31 -0.21 0.00 -2.96 0.00 0.00 64.34 61.06 2kfw n VAL 76 Cb 1.17 -1.58 -0.16 0.00 -1.06 0.00 0.00 33.84 32.20 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 -0.83 0.98 -0.32 1.45 0.74 -1.15 -5.05 119.66 115.48 2kfw s GLN 77 Ca 0.64 -0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.72 2kfw s GLN 77 Cb -0.60 -0.92 -0.03 0.00 1.10 0.00 0.00 33.01 32.56 2kfw s GLN 77 CO 0.53 -0.01 0.23 -0.98 -0.55 0.00 0.00 175.29 174.51 2kfw s ARG 78 N 0.64 3.67 -0.05 1.67 3.03 -1.26 -3.05 118.95 123.61 2kfw s ARG 78 Ca -0.10 -0.51 -0.10 0.00 2.03 0.00 0.00 55.73 57.06 2kfw s ARG 78 Cb -0.13 -3.75 0.02 0.00 -1.03 0.00 0.00 34.95 30.06 2kfw s ARG 78 CO 0.01 -0.35 0.23 0.54 -1.13 0.00 0.00 175.30 174.60 2kfw s VAL 79 N 1.75 0.04 0.91 4.99 0.11 -0.61 -4.96 120.40 122.62 2kfw s VAL 79 Ca 0.07 -0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 2kfw s VAL 79 Cb -0.17 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.38 2kfw s VAL 79 CO 0.11 -0.17 1.11 -2.16 -3.33 0.00 0.00 175.10 170.66 2kfw s PRO 80 N -0.65 1.18 0.42 1.54 0.04 -1.26 -2.72 135.00 133.56 2kfw s PRO 80 Ca -0.07 0.52 0.22 0.00 0.04 0.00 0.00 61.00 61.70 2kfw s PRO 80 Cb -0.04 -1.82 1.20 0.00 0.04 0.00 0.00 34.50 33.88 2kfw s PRO 80 CO 0.02 -2.22 1.64 1.57 0.04 0.00 0.00 177.00 178.05 2kfw h LYS 81 N -1.52 0.00 -0.22 4.56 2.10 -1.91 -2.00 116.57 117.58 2kfw h LYS 81 Ca -0.51 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.21 2kfw h LYS 81 Cb 1.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2kfw h LYS 81 CO 0.59 0.00 0.57 0.22 -2.00 0.00 0.00 179.45 178.83 2kfw h ASP 82 N 0.00 0.00 1.61 7.07 1.82 -1.94 1.23 116.42 126.21 2kfw h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kfw h ASP 82 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2kfw h ASP 82 CO 0.00 0.00 0.00 1.62 -1.61 0.00 0.00 179.24 179.25 2kfw h VAL 83 N 0.00 0.00 -2.93 2.25 3.04 -1.71 -3.37 116.25 113.53 2kfw h VAL 83 Ca 0.11 -0.69 -0.64 0.00 -1.01 0.00 0.00 66.70 64.47 2kfw h VAL 83 Cb 1.25 1.67 -0.40 0.00 -2.01 0.00 0.00 31.29 31.80 2kfw h VAL 83 CO -0.00 0.00 -0.43 0.49 -1.01 0.00 0.00 177.57 176.62 2kfw n PHE 84 N -2.71 3.53 -1.70 3.17 3.72 0.42 -5.01 117.46 118.88 2kfw n PHE 84 Ca 0.04 -4.19 -0.17 0.00 -0.05 0.00 0.00 57.45 53.08 2kfw n PHE 84 Cb 0.45 -0.74 -0.09 0.00 -0.94 0.00 0.00 39.48 38.15 2kfw n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kfw s MET 85 N -1.72 1.54 0.00 -1.08 0.23 -1.26 -1.26 119.30 115.75 2kfw s MET 85 Ca 0.29 -0.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.58 2kfw s MET 85 Cb -0.00 -4.99 0.00 0.00 -1.53 0.00 0.00 34.83 28.31 2kfw s MET 85 CO -0.12 -4.95 0.00 0.41 -2.03 0.00 0.00 175.02 168.33 2kfw n GLY 86 N 6.26 1.87 0.38 3.16 0.00 -1.26 -5.00 105.19 110.60 2kfw n GLY 86 Ca 0.43 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.75 2kfw n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kfw h VAL 87 N 0.00 0.17 0.00 1.61 3.04 -1.53 -3.43 116.25 116.11 2kfw h VAL 87 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2kfw h VAL 87 Cb 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.27 2kfw h VAL 87 CO 0.00 0.03 0.00 -0.67 -1.01 0.00 0.00 177.57 175.92 2kfw n ASP 88 N -4.97 -1.73 0.00 3.17 2.03 -1.26 -4.79 116.55 109.00 2kfw n ASP 88 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kfw n ASP 88 Cb 1.22 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.63 0.00 -3.83 -0.67 1.02 -1.26 -5.13 120.64 109.14 2kfw n GLU 89 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2kfw n GLU 89 Cb 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.37 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 3.11 0.09 -4.62 1.98 -1.26 -5.07 118.68 112.91 2kfw s LEU 90 Ca 0.00 -1.92 -0.01 0.00 -2.89 0.00 0.00 54.13 49.30 2kfw s LEU 90 Cb 0.00 -1.14 -0.04 0.00 0.66 0.00 0.00 46.19 45.68 2kfw s LEU 90 CO 0.00 -0.39 0.02 0.00 -1.89 0.00 0.00 176.35 174.10 2kfw s GLN 91 N 1.24 0.77 0.34 1.98 -2.07 -1.26 -5.13 119.66 115.53 2kfw s GLN 91 Ca 0.11 -1.31 -0.27 0.00 -1.82 0.00 0.00 55.36 52.07 2kfw s GLN 91 Cb -0.19 0.23 -0.09 0.00 -1.09 0.00 0.00 33.01 31.88 2kfw s GLN 91 CO -0.17 -0.19 1.11 0.54 -1.32 0.00 0.00 175.29 175.26 2kfw s VAL 92 N -3.98 3.43 0.00 3.63 0.11 -1.26 -3.11 120.40 119.22 2kfw s VAL 92 Ca 0.15 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 2kfw s VAL 92 Cb 0.08 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 2kfw s VAL 92 CO -0.05 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 2kfw n GLY 93 N 0.83 0.44 3.67 6.54 0.00 -0.43 -5.02 105.19 111.22 2kfw n GLY 93 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.87 3.16 -0.19 1.61 0.00 -1.18 -4.97 119.30 116.87 2kfw s MET 94 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 55.69 55.14 2kfw s MET 94 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 34.83 31.93 2kfw s MET 94 CO 0.00 0.63 0.39 1.03 0.00 0.00 0.00 175.02 177.07 2kfw s ARG 95 N -0.66 4.21 0.29 4.11 0.52 -1.26 -2.67 118.95 123.48 2kfw s ARG 95 Ca 0.11 0.21 0.09 0.00 -0.52 0.00 0.00 55.73 55.62 2kfw s ARG 95 Cb -0.12 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 2kfw s ARG 95 CO 0.02 0.02 0.04 0.12 0.02 0.00 0.00 175.30 175.52 2kfw s PHE 96 N 1.11 2.70 -0.12 -0.53 2.19 -0.29 -4.97 117.98 118.07 2kfw s PHE 96 Ca 0.19 -0.27 0.02 0.00 0.33 0.00 0.00 56.93 57.20 2kfw s PHE 96 Cb -0.14 -1.32 0.02 0.00 -1.31 0.00 0.00 43.02 40.26 2kfw s PHE 96 CO 0.08 0.55 -0.16 -0.51 1.83 0.00 0.00 175.22 177.00 2kfw s LEU 97 N -3.72 1.78 0.31 6.12 1.02 -1.26 -0.33 118.68 122.60 2kfw s LEU 97 Ca 0.33 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 54.03 2kfw s LEU 97 Cb -0.05 -1.16 -0.03 0.00 0.02 0.00 0.00 46.19 44.97 2kfw s LEU 97 CO 0.21 0.01 0.50 0.00 0.02 0.00 0.00 176.35 177.09 2kfw s ALA 98 N 1.03 3.75 -0.41 4.21 0.00 0.12 -4.94 121.76 125.52 2kfw s ALA 98 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2kfw s ALA 98 Cb -0.15 -2.04 0.15 0.00 0.00 0.00 0.00 23.12 21.08 2kfw s ALA 98 CO -0.03 0.08 0.28 -2.00 0.00 0.00 0.00 175.76 174.09 2kfw s GLU 99 N -4.12 0.89 0.60 0.00 2.12 -1.26 -1.39 118.70 115.54 2kfw s GLU 99 Ca 0.39 -1.82 0.03 0.00 0.36 0.00 0.00 54.97 53.93 2kfw s GLU 99 Cb -0.10 -1.62 0.08 0.00 0.26 0.00 0.00 34.13 32.75 2kfw s GLU 99 CO 0.34 -1.27 0.83 0.95 -0.54 0.00 0.00 175.26 175.57 2kfw s THR 100 N 0.46 2.41 -0.19 -1.70 -4.23 -1.19 -4.94 115.64 106.26 2kfw s THR 100 Ca 0.24 -0.75 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 2kfw s THR 100 Cb -0.13 -2.65 0.31 0.00 1.34 0.00 0.00 72.50 71.37 2kfw s THR 100 CO -0.08 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.61 2kfw h ASP 101 N -0.05 0.00 -0.39 3.99 3.04 -2.03 -2.47 116.42 118.52 2kfw h ASP 101 Ca -0.37 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.33 2kfw h ASP 101 Cb 1.28 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.52 2kfw h ASP 101 CO 0.44 0.00 0.11 0.00 -2.04 0.00 0.00 179.24 177.76 2kfw n GLN 102 N -2.58 2.71 0.00 4.15 10.64 -1.26 -4.98 117.38 126.05 2kfw n GLN 102 Ca 0.01 -1.71 0.00 0.00 -1.83 0.00 0.00 57.00 53.47 2kfw n GLN 102 Cb 0.23 -1.84 0.00 0.00 -0.86 0.00 0.00 30.24 27.77 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 0.12 2.38 3.69 2.61 0.00 -0.93 -4.96 105.19 108.09 2kfw n GLY 103 Ca 0.21 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.33 4.32 -0.22 1.61 0.04 -1.26 -3.16 135.00 133.00 2kfw s PRO 104 Ca 0.00 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 2kfw s PRO 104 Cb 0.00 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 31.01 2kfw s PRO 104 CO 0.00 -0.50 -0.13 0.08 0.04 0.00 0.00 177.00 176.49 2kfw s VAL 105 N 2.26 2.48 0.43 -0.36 1.01 -0.49 -4.96 120.40 120.77 2kfw s VAL 105 Ca 0.60 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2kfw s VAL 105 Cb -0.28 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 2kfw s VAL 105 CO 0.24 0.33 1.10 -2.16 0.00 0.00 0.00 175.10 174.61 2kfw s PRO 106 N 1.29 3.99 -0.02 2.72 0.04 -1.26 -0.71 135.00 141.05 2kfw s PRO 106 Ca 0.01 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.70 2kfw s PRO 106 Cb -0.15 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2kfw s PRO 106 CO -0.08 -0.32 -0.09 0.14 0.04 0.00 0.00 177.00 176.69 2kfw s VAL 107 N -1.62 0.80 -0.37 -0.36 -7.23 0.55 -4.50 120.40 107.67 2kfw s VAL 107 Ca 0.60 -0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 60.29 2kfw s VAL 107 Cb -0.25 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2kfw s VAL 107 CO 0.30 0.24 0.18 -1.61 -0.31 0.00 0.00 175.10 173.91 2kfw s GLU 108 N 0.08 2.73 -0.50 4.82 0.41 0.68 -1.14 118.70 125.78 2kfw s GLU 108 Ca -0.01 -1.16 -0.28 0.00 -0.41 0.00 0.00 54.97 53.11 2kfw s GLU 108 Cb -0.07 -3.66 -0.01 0.00 -1.78 0.00 0.00 34.13 28.61 2kfw s GLU 108 CO 0.00 -0.73 1.69 0.42 -0.49 0.00 0.00 175.26 176.16 2kfw s ILE 109 N 1.49 3.54 -0.20 -1.63 1.01 -1.09 -0.69 121.20 123.63 2kfw s ILE 109 Ca 0.01 0.46 0.14 0.00 0.00 0.00 0.00 60.65 61.26 2kfw s ILE 109 Cb -0.20 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.04 2kfw s ILE 109 CO 0.05 -0.81 0.05 1.07 0.00 0.00 0.00 174.94 175.30 2kfw n THR 110 N 7.18 1.43 -4.45 2.92 5.66 -1.22 -1.32 114.28 124.48 2kfw n THR 110 Ca 0.19 -0.79 -0.23 0.00 -3.05 0.00 0.00 64.05 60.17 2kfw n THR 110 Cb 0.49 -0.73 -0.09 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.51 2.53 -0.22 1.79 0.00 -1.26 -4.57 121.76 117.53 2kfw s ALA 111 Ca -0.15 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.17 2kfw s ALA 111 Cb 0.07 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.14 2kfw s ALA 111 CO 0.78 -0.39 0.52 0.54 0.00 0.00 0.00 175.76 177.20 2kfw s VAL 112 N -3.34 -0.21 0.35 0.00 0.11 -1.26 -3.78 120.40 112.27 2kfw s VAL 112 Ca 0.29 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 2kfw s VAL 112 Cb 0.04 -0.77 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2kfw s VAL 112 CO 0.16 0.03 0.03 -0.62 -3.33 0.00 0.00 175.10 171.37 2kfw n GLU 113 N 4.57 1.00 -2.19 1.54 1.02 0.15 -5.00 120.64 121.73 2kfw n GLU 113 Ca -0.19 -2.63 -0.42 0.00 -0.02 0.00 0.00 57.16 53.90 2kfw n GLU 113 Cb 0.55 0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 32.82 2kfw n GLU 113 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2kfw s ASP 114 N -2.96 6.84 -1.56 1.62 1.47 -1.26 -3.02 116.67 117.81 2kfw s ASP 114 Ca 0.04 2.27 -0.18 0.00 1.18 0.00 0.00 52.55 55.86 2kfw s ASP 114 Cb 0.00 -2.58 0.17 0.00 -0.34 0.00 0.00 42.92 40.17 2kfw s ASP 114 CO 0.03 -0.66 0.57 0.47 0.68 0.00 0.00 175.17 176.26 2kfw n ASP 115 N 4.25 -2.38 -3.64 2.11 8.00 -1.26 -4.86 116.55 118.77 2kfw n ASP 115 Ca 0.12 -0.89 -0.04 0.00 0.71 0.00 0.00 54.79 54.69 2kfw n ASP 115 Cb 0.43 -2.02 -0.07 0.00 -0.02 0.00 0.00 41.12 39.44 2kfw n ASP 115 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2kfw s HIS 116 N -3.08 -0.33 -0.02 1.24 2.46 -1.17 -4.59 115.29 109.81 2kfw s HIS 116 Ca 0.67 0.73 -0.04 0.00 0.47 0.00 0.00 55.06 56.89 2kfw s HIS 116 Cb -0.38 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2kfw s HIS 116 CO 0.82 -0.16 0.10 0.14 -2.47 0.00 0.00 174.74 173.17 2kfw s VAL 117 N 0.64 0.03 0.15 0.89 -7.23 -1.10 0.29 120.40 114.07 2kfw s VAL 117 Ca -0.01 -0.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 2kfw s VAL 117 Cb -0.04 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 2kfw s VAL 117 CO -0.12 -0.15 0.24 0.68 -0.31 0.00 0.00 175.10 175.45 2kfw s VAL 118 N -0.46 5.14 -0.12 1.32 -7.23 -1.25 -1.58 120.40 116.22 2kfw s VAL 118 Ca -0.05 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.22 2kfw s VAL 118 Cb -0.03 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.31 2kfw s VAL 118 CO 0.00 -0.08 0.38 0.68 -0.31 0.00 0.00 175.10 175.78 2kfw s VAL 119 N -1.72 0.01 0.31 1.32 -7.23 -1.17 -3.44 120.40 108.47 2kfw s VAL 119 Ca 0.34 -0.09 0.10 0.00 -1.81 0.00 0.00 61.98 60.52 2kfw s VAL 119 Cb -0.11 -0.57 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 2kfw s VAL 119 CO 0.27 -0.05 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.26 2kfw s ASP 120 N -0.11 3.51 0.14 4.85 -1.08 0.13 -2.95 116.67 121.16 2kfw s ASP 120 Ca -0.03 -1.13 -0.08 0.00 -0.52 0.00 0.00 52.55 50.80 2kfw s ASP 120 Cb -0.03 -0.30 0.03 0.00 -1.46 0.00 0.00 42.92 41.16 2kfw s ASP 120 CO 0.01 -0.13 0.39 0.61 0.52 0.00 0.00 175.17 176.58 2kfw n GLY 121 N -0.68 1.33 3.44 2.66 0.00 -1.26 0.25 105.19 110.92 2kfw n GLY 121 Ca -0.05 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.98 4.26 1.03 1.61 0.02 -1.26 -4.86 114.94 113.75 2kfw s ASN 122 Ca 0.08 -0.22 -0.03 0.00 -1.02 0.00 0.00 52.86 51.67 2kfw s ASN 122 Cb -0.02 -1.44 0.05 0.00 0.02 0.00 0.00 41.25 39.86 2kfw s ASN 122 CO 0.04 0.23 0.19 1.41 0.02 0.00 0.00 177.10 178.99 2kfw n HIS 123 N 3.11 -3.38 0.15 2.20 8.25 -1.26 -4.86 115.22 119.43 2kfw n HIS 123 Ca -0.18 -0.17 0.15 0.00 -0.26 0.00 0.00 57.72 57.26 2kfw n HIS 123 Cb 0.53 -0.18 0.71 0.00 1.12 0.00 0.00 29.99 32.16 2kfw n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kfw h MET 124 N 0.00 0.00 0.00 -0.41 -0.00 -2.01 -3.42 114.93 109.09 2kfw h MET 124 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 2kfw h MET 124 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2kfw h MET 124 CO 0.05 0.00 0.00 -0.11 -0.00 0.00 0.00 176.91 176.85 2kfw n LEU 125 N -4.30 0.00 -2.98 -0.10 7.94 -1.26 -4.95 117.00 111.35 2kfw n LEU 125 Ca 0.03 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 2kfw n LEU 125 Cb 0.33 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.27 2kfw n LEU 125 CO 0.33 0.00 -0.32 0.00 -1.11 0.00 0.00 177.39 176.30 2kfw n ALA 126 N -3.00 -2.05 0.00 1.96 0.00 -1.26 -4.36 120.51 111.80 2kfw n ALA 126 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2kfw n ALA 126 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.84 0.86 2.54 0.00 0.00 -1.26 -4.77 105.19 104.40 2kfw n GLY 127 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2kfw n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfw s GLN 128 N -0.39 1.27 1.07 1.61 2.00 -1.26 -5.08 119.66 118.87 2kfw s GLN 128 Ca 0.00 -2.34 -0.15 0.00 -2.00 0.00 0.00 55.36 50.87 2kfw s GLN 128 Cb 0.00 -1.94 0.19 0.00 0.80 0.00 0.00 33.01 32.07 2kfw s GLN 128 CO 0.00 -1.34 0.37 0.27 -0.50 0.00 0.00 175.29 174.09 2kfw n ASN 129 N 2.76 -3.09 -4.74 6.67 0.23 -1.26 -4.70 115.26 111.14 2kfw n ASN 129 Ca 0.25 -0.42 -0.34 0.00 -0.53 0.00 0.00 54.58 53.54 2kfw n ASN 129 Cb 0.43 -0.81 -0.08 0.00 -2.08 0.00 0.00 39.78 37.25 2kfw n ASN 129 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kfw s LEU 130 N -0.84 3.75 -0.22 -4.53 1.43 -1.26 -4.75 118.68 112.26 2kfw s LEU 130 Ca 0.41 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.54 2kfw s LEU 130 Cb -0.07 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2kfw s LEU 130 CO 0.38 0.31 0.11 -0.54 0.23 0.00 0.00 176.35 176.83 2kfw s LYS 131 N -1.45 3.98 -0.03 1.70 1.02 -1.17 -2.58 119.74 121.20 2kfw s LYS 131 Ca 0.19 -0.33 -0.13 0.00 0.02 0.00 0.00 55.97 55.73 2kfw s LYS 131 Cb -0.12 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2kfw s LYS 131 CO 0.10 0.12 0.28 -0.59 -0.92 0.00 0.00 175.35 174.33 2kfw s PHE 132 N 0.84 -0.17 -0.20 3.18 -0.12 -1.26 -1.91 117.98 118.34 2kfw s PHE 132 Ca 0.06 0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 57.15 2kfw s PHE 132 Cb -0.13 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2kfw s PHE 132 CO 0.03 -0.33 0.13 1.21 -0.05 0.00 0.00 175.22 176.21 2kfw s ASN 133 N -1.03 6.15 0.16 1.98 3.04 -0.84 -2.59 114.94 121.80 2kfw s ASN 133 Ca -0.11 0.20 0.06 0.00 0.04 0.00 0.00 52.86 53.06 2kfw s ASN 133 Cb -0.05 -2.08 -0.04 0.00 -1.54 0.00 0.00 41.25 37.54 2kfw s ASN 133 CO 0.03 0.17 0.04 -0.69 -3.04 0.00 0.00 177.10 173.61 2kfw s VAL 134 N 0.43 3.99 -0.04 -5.21 1.01 0.42 -1.89 120.40 119.10 2kfw s VAL 134 Ca 0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2kfw s VAL 134 Cb -0.11 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2kfw s VAL 134 CO -0.01 -0.08 0.09 -0.70 0.00 0.00 0.00 175.10 174.40 2kfw s GLU 135 N -2.91 0.03 0.33 2.72 2.12 0.42 -1.26 118.70 120.14 2kfw s GLU 135 Ca 0.28 0.28 -0.27 0.00 0.36 0.00 0.00 54.97 55.62 2kfw s GLU 135 Cb -0.10 -0.21 -0.09 0.00 0.26 0.00 0.00 34.13 33.98 2kfw s GLU 135 CO 0.20 -0.17 1.07 0.08 -0.54 0.00 0.00 175.26 175.90 2kfw s VAL 136 N 1.13 3.60 -0.12 3.70 1.01 -1.21 -2.01 120.40 126.51 2kfw s VAL 136 Ca -0.09 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 2kfw s VAL 136 Cb -0.12 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2kfw s VAL 136 CO -0.05 0.22 -0.15 0.52 0.00 0.00 0.00 175.10 175.65 2kfw n VAL 137 N 0.68 0.64 -3.48 2.92 0.31 0.19 -3.09 118.33 116.49 2kfw n VAL 137 Ca 0.01 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2kfw n VAL 137 Cb 0.47 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 2kfw n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfw s ALA 138 N -2.21 -1.53 -0.22 3.52 0.00 -1.24 -4.75 121.76 115.33 2kfw s ALA 138 Ca -0.16 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2kfw s ALA 138 Cb 0.06 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.88 2kfw s ALA 138 CO 0.21 -0.64 0.07 0.42 0.00 0.00 0.00 175.76 175.82 2kfw s ILE 139 N -3.06 0.31 0.08 0.00 1.01 -1.26 -3.08 121.20 115.20 2kfw s ILE 139 Ca -0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2kfw s ILE 139 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 2kfw s ILE 139 CO -0.07 -0.38 0.12 -0.13 0.00 0.00 0.00 174.94 174.48 2kfw s ARG 140 N 1.94 0.79 -0.04 2.79 1.81 -0.58 -4.99 118.95 120.67 2kfw s ARG 140 Ca 0.03 -1.08 -0.29 0.00 -1.72 0.00 0.00 55.73 52.67 2kfw s ARG 140 Cb -0.17 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.60 2kfw s ARG 140 CO -0.15 -0.23 0.94 -1.21 -0.68 0.00 0.00 175.30 173.97 2kfw s GLU 141 N -3.90 4.49 0.82 3.54 2.02 -1.26 0.16 118.70 124.57 2kfw s GLU 141 Ca 0.07 1.31 -0.11 0.00 0.02 0.00 0.00 54.97 56.26 2kfw s GLU 141 Cb 0.06 -3.48 0.08 0.00 0.10 0.00 0.00 34.13 30.89 2kfw s GLU 141 CO -0.09 -0.11 1.09 0.00 0.02 0.00 0.00 175.26 176.17 2kfw s ALA 142 N 1.28 1.99 1.09 5.21 0.00 -1.26 -4.74 121.76 125.34 2kfw s ALA 142 Ca 0.48 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 2kfw s ALA 142 Cb -0.20 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.83 2kfw s ALA 142 CO 0.23 -2.00 0.74 2.41 0.00 0.00 0.00 175.76 177.14 2kfw n THR 143 N -3.67 0.00 -0.17 0.00 -1.04 -1.26 -4.73 114.28 103.41 2kfw n THR 143 Ca 0.09 -0.42 -0.04 0.00 -2.04 0.00 0.00 64.05 61.63 2kfw n THR 143 Cb 0.54 -1.37 0.15 0.00 -1.82 0.00 0.00 70.33 67.83 2kfw n THR 143 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kfw h GLU 144 N 0.00 0.93 -0.14 -2.82 4.39 -1.99 -2.53 114.58 112.42 2kfw h GLU 144 Ca -0.26 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.10 2kfw h GLU 144 Cb 0.76 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2kfw h GLU 144 CO 0.18 0.82 -0.55 1.49 -1.16 0.00 0.00 179.01 179.79 2kfw h GLU 145 N 0.89 0.42 -0.01 2.33 4.81 -1.97 -1.41 114.58 119.65 2kfw h GLU 145 Ca 0.19 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kfw h GLU 145 Cb 0.31 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2kfw h GLU 145 CO -0.00 0.86 0.00 0.93 -0.73 0.00 0.00 179.01 180.07 2kfw h GLU 146 N 0.32 0.01 0.00 1.92 4.39 -1.67 -2.25 114.58 117.30 2kfw h GLU 146 Ca 0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kfw h GLU 146 Cb 1.06 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kfw h GLU 146 CO 0.10 0.16 0.00 -0.07 -1.16 0.00 0.00 179.01 178.03 2kfw h LEU 147 N -0.13 0.00 0.25 1.33 4.07 -1.47 -0.28 115.31 119.08 2kfw h LEU 147 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2kfw h LEU 147 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2kfw h LEU 147 CO -0.00 0.00 -0.12 0.00 -1.08 0.00 0.00 178.44 177.24 2kfw h ALA 148 N 2.30 -0.34 0.00 1.53 0.00 -0.65 -2.68 119.26 119.42 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 0.54 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kfw h ALA 148 CO 0.00 -0.53 0.00 0.72 0.00 0.00 0.00 179.25 179.44 2kfw n HIS 149 N -5.10 0.00 0.00 0.00 8.25 -1.09 -4.83 115.22 112.44 2kfw n HIS 149 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2kfw n HIS 149 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.78 2.86 2.93 -1.41 0.00 -1.01 -4.87 105.19 104.47 2kfw n GLY 150 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2kfw n GLY 150 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 151 N -2.00 -1.88 -2.31 1.61 1.44 -0.13 -4.26 115.22 107.70 2kfw n HIS 151 Ca 0.00 -1.59 -0.40 0.00 -2.01 0.00 0.00 57.72 53.72 2kfw n HIS 151 Cb 0.00 0.67 -0.03 0.00 0.12 0.00 0.00 29.99 30.75 2kfw n HIS 151 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kfw s VAL 152 N -2.40 3.13 0.37 0.61 1.01 -1.25 -4.27 120.40 117.60 2kfw s VAL 152 Ca 0.15 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2kfw s VAL 152 Cb -0.03 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2kfw s VAL 152 CO 0.11 0.23 0.00 1.41 0.00 0.00 0.00 175.10 176.86 2kfw n HIS 153 N 0.82 -4.79 -0.63 5.22 8.25 -1.26 -4.88 115.22 117.96 2kfw n HIS 153 Ca 0.00 2.51 -0.22 0.00 -0.26 0.00 0.00 57.72 59.75 2kfw n HIS 153 Cb 0.44 -3.67 0.13 0.00 1.12 0.00 0.00 29.99 28.00 2kfw n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 154 N 0.56 -2.44 1.06 -1.41 0.00 -1.26 -4.81 105.19 96.89 2kfw n GLY 154 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.22 2.92 1.24 4.61 0.00 -1.26 -3.96 120.51 119.83 2kfw n ALA 155 Ca 0.03 -0.92 0.14 0.00 0.00 0.00 0.00 53.44 52.69 2kfw n ALA 155 Cb 0.44 -1.03 0.57 0.00 0.00 0.00 0.00 19.45 19.42 2kfw n ALA 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kfw n HIS 156 N 0.51 0.00 -0.23 0.00 1.44 -1.26 -4.19 115.22 111.49 2kfw n HIS 156 Ca 0.15 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.75 2kfw n HIS 156 Cb 0.60 -0.28 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 2kfw n HIS 156 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 2kfw h ASP 157 N 0.27 -1.78 0.00 4.39 5.19 -1.93 -3.46 116.42 119.11 2kfw h ASP 157 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2kfw h ASP 157 Cb 0.41 0.77 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2kfw h ASP 157 CO 0.00 -0.34 0.00 1.57 -3.12 0.00 0.00 179.24 177.35 2kfw n HIS 158 N -5.37 -1.61 0.00 4.55 -0.00 -1.26 -5.05 115.22 106.48 2kfw n HIS 158 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kfw n HIS 158 Cb 0.33 0.32 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 2kfw n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kfw n HIS 159 N -2.15 0.00 -4.42 1.57 -0.00 -1.26 -4.58 115.22 104.39 2kfw n HIS 159 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 2kfw n HIS 159 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2kfw n HIS 159 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kfw s HIS 160 N 0.00 1.73 0.25 1.57 -3.43 -1.26 -5.12 115.29 109.03 2kfw s HIS 160 Ca 0.00 -1.35 -0.30 0.00 -0.80 0.00 0.00 55.06 52.62 2kfw s HIS 160 Cb 0.00 -1.00 -0.09 0.00 -1.43 0.00 0.00 32.58 30.06 2kfw s HIS 160 CO 0.00 -0.44 1.23 -0.51 -2.00 0.00 0.00 174.74 173.02 2kfw s ASP 161 N -3.49 7.01 0.03 7.38 1.01 -1.26 -4.52 116.67 122.83 2kfw s ASP 161 Ca 0.31 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.97 2kfw s ASP 161 Cb 0.04 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2kfw s ASP 161 CO 0.17 -0.39 0.00 1.57 0.21 0.00 0.00 175.17 176.74 2kfw n HIS 162 N 1.72 -4.49 -1.45 4.23 -0.00 -1.26 -4.70 115.22 109.26 2kfw n HIS 162 Ca 0.02 2.67 -0.32 0.00 0.46 0.00 0.00 57.72 60.56 2kfw n HIS 162 Cb 0.43 -3.62 -0.06 0.00 -0.12 0.00 0.00 29.99 26.63 2kfw n HIS 162 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfw n ASP 163 N 1.88 7.50 0.00 0.26 8.00 -1.26 -4.11 116.55 128.81 2kfw n ASP 163 Ca 0.00 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.70 2kfw n ASP 163 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 2kfw n ASP 163 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kfw n HIS 164 N 2.46 0.00 -0.27 1.24 -0.00 -1.26 -5.04 115.22 112.34 2kfw n HIS 164 Ca 0.63 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.74 2kfw n HIS 164 Cb 0.43 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.36 2kfw n HIS 164 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfw n ASP 165 N -0.02 -2.00 0.00 0.26 9.92 -1.26 -4.79 116.55 118.66 2kfw n ASP 165 Ca 0.00 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 2kfw n ASP 165 Cb 0.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 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 -0.43 0.33 0.00 0.44 0.00 -1.26 -4.88 105.19 99.39 2kfw n GLY 166 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 5.31 -0.17 0.00 0.00 0.00 -1.26 -5.13 105.19 103.94 2kfw n GLY 169 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.87 -0.44 3.61 -0.02 0.00 -1.26 -5.07 105.19 104.88 2kfw n GLY 170 Ca -0.22 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2kfw n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 171 N -2.57 1.71 0.00 1.61 3.76 -1.26 -4.96 115.29 113.59 2kfw s HIS 171 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 2kfw s HIS 171 Cb 0.00 -4.06 0.00 0.00 1.11 0.00 0.00 32.58 29.63 2kfw s HIS 171 CO 0.00 -3.36 0.00 0.41 -0.85 0.00 0.00 174.74 170.94 2kfw n GLY 172 N 5.27 1.28 0.17 -2.22 0.00 -1.26 -5.08 105.19 103.34 2kfw n GLY 172 Ca 0.23 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.01 1.61 8.25 -1.26 -5.09 115.22 118.74 2kfw n HIS 173 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfw n HIS 173 Cb 0.00 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2kfw n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kfw n ASP 174 N -3.34 -0.19 -4.96 0.41 -0.08 -1.26 -5.15 116.55 101.97 2kfw n ASP 174 Ca -0.06 0.12 -0.24 0.00 -1.51 0.00 0.00 54.79 53.10 2kfw n ASP 174 Cb 0.21 0.34 0.02 0.00 2.34 0.00 0.00 41.12 44.03 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 -1.20 1.47 0.00 -0.67 3.76 -1.26 -5.09 115.29 112.30 2kfw s HIS 175 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2kfw s HIS 175 Cb 0.00 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2kfw s HIS 175 CO 0.00 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.52 2kfw n GLY 176 N -1.98 3.00 0.00 -2.22 0.00 -1.26 -5.16 105.19 97.58 2kfw n GLY 176 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2kfw n GLY 176 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 177 N 0.00 0.00 -0.03 1.61 -0.00 -1.26 -5.07 115.22 110.47 2kfw n HIS 177 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2kfw n HIS 177 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 2kfw n HIS 177 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2kfw n GLU 178 N 0.00 2.50 -3.16 1.57 1.02 -1.26 -4.86 120.64 116.44 2kfw n GLU 178 Ca 0.00 -0.01 -0.45 0.00 -0.02 0.00 0.00 57.16 56.67 2kfw n GLU 178 Cb 0.00 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2kfw n GLU 178 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kfw s HIS 179 N -2.22 3.31 0.05 -0.32 2.46 -1.26 -5.03 115.29 112.27 2kfw s HIS 179 Ca -0.04 -1.43 0.03 0.00 0.47 0.00 0.00 55.06 54.09 2kfw s HIS 179 Cb 0.03 -3.99 -0.04 0.00 -0.13 0.00 0.00 32.58 28.45 2kfw s HIS 179 CO 0.31 -1.21 0.00 0.20 -2.47 0.00 0.00 174.74 171.58 2kfw s GLY 180 N 3.14 1.90 -0.04 1.59 0.00 -1.26 -5.04 107.32 107.60 2kfw s GLY 180 Ca 0.17 -1.03 -0.33 0.00 0.00 0.00 0.00 44.72 43.53 2kfw s GLY 180 CO -0.03 -0.96 1.89 0.61 0.00 0.00 0.00 173.10 174.61 2kfw n GLY 181 N 0.95 1.54 3.03 0.20 0.00 -1.26 -4.94 105.19 104.71 2kfw n GLY 181 Ca -0.12 0.84 -0.09 0.00 0.00 0.00 0.00 46.02 46.65 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 3.97 0.34 -0.04 1.61 0.41 -1.26 -5.14 118.70 118.58 2kfw s GLU 182 Ca 0.91 0.70 0.04 0.00 -0.41 0.00 0.00 54.97 56.22 2kfw s GLU 182 Cb -0.63 -0.20 -0.00 0.00 -1.78 0.00 0.00 34.13 31.52 2kfw s GLU 182 CO 0.49 -0.52 -0.18 0.20 -0.49 0.00 0.00 175.26 174.76 2kfw s GLY 183 N 2.57 0.94 -0.30 -1.39 0.00 -1.26 -5.10 107.32 102.79 2kfw s GLY 183 Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 2kfw s GLY 183 CO -0.15 -0.39 0.84 0.00 0.00 0.00 0.00 173.10 173.40 2kfw n GLY 186 N 4.91 2.77 2.66 0.00 0.00 -1.26 -5.15 105.19 109.12 2kfw n GLY 186 Ca -0.04 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2kfw n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfw s GLY 187 N 0.00 0.38 -0.04 -0.02 0.00 -1.26 -5.02 107.32 101.36 2kfw s GLY 187 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 2kfw s GLY 187 CO 0.00 1.55 0.07 1.17 0.00 0.00 0.00 173.10 175.89 2kfw n LYS 188 N 5.24 -5.04 -2.96 2.90 3.00 -1.26 -4.98 118.16 115.06 2kfw n LYS 188 Ca -0.06 3.68 -0.25 0.00 -0.00 0.00 0.00 58.31 61.68 2kfw n LYS 188 Cb 0.49 -4.81 -0.00 0.00 0.00 0.00 0.00 35.03 30.70 2kfw n LYS 188 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kfw s GLY 189 N -0.62 1.45 -0.38 3.14 0.00 -1.26 -4.95 107.32 104.71 2kfw s GLY 189 Ca -0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 44.72 43.48 2kfw s GLY 189 CO 0.22 -0.62 1.92 -2.01 0.00 0.00 0.00 173.10 172.62 2kfw n ASN 190 N -2.07 1.81 -3.42 1.64 5.15 -1.26 -4.91 115.26 112.20 2kfw n ASN 190 Ca -0.01 0.84 0.00 0.00 -0.60 0.00 0.00 54.58 54.81 2kfw n ASN 190 Cb 0.56 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 2kfw n ASN 190 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kfw n GLY 191 N 5.48 -3.50 0.00 8.20 0.00 -1.26 -5.07 105.19 109.04 2kfw n GLY 191 Ca 0.37 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kfw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 192 N 0.20 2.49 0.52 -0.02 0.00 -1.26 -5.02 105.19 102.09 2kfw n GLY 192 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2kfw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 194 N 1.26 1.28 3.91 0.00 0.00 -1.26 -5.03 105.19 105.35 2kfw n GLY 194 Ca 0.09 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32