#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 0.80 0.28 2.12 2.20 -1.26 -5.01 119.74 118.88 2kfw s LYS 2 Ca 0.00 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 2kfw s LYS 2 Cb 0.00 0.34 -0.14 0.00 -1.51 0.00 0.00 37.83 36.52 2kfw s LYS 2 CO 0.00 -0.25 1.08 1.55 -0.36 0.00 0.00 175.35 177.37 2kfw n VAL 3 N 0.44 1.85 -4.09 4.02 3.14 -1.26 -4.97 118.33 117.47 2kfw n VAL 3 Ca -0.18 -0.46 -0.11 0.00 -2.96 0.00 0.00 64.34 60.63 2kfw n VAL 3 Cb 0.60 -1.09 -0.07 0.00 -1.06 0.00 0.00 33.84 32.22 2kfw n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kfw s ALA 4 N -0.94 0.43 0.00 1.55 0.00 -1.26 -4.41 121.76 117.13 2kfw s ALA 4 Ca 0.60 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2kfw s ALA 4 Cb -0.69 1.20 -0.20 0.00 0.00 0.00 0.00 23.12 23.44 2kfw s ALA 4 CO 0.59 -0.75 3.10 1.17 0.00 0.00 0.00 175.76 179.87 2kfw n LYS 5 N -0.37 1.67 -0.12 0.00 4.81 -1.26 -3.10 118.16 119.79 2kfw n LYS 5 Ca 0.00 -0.72 0.00 0.00 -0.87 0.00 0.00 58.31 56.72 2kfw n LYS 5 Cb 0.63 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.93 2kfw n LYS 5 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2kfw n ASP 6 N 2.29 0.00 -4.03 3.14 5.68 -1.26 -4.93 116.55 117.43 2kfw n ASP 6 Ca 0.31 -0.54 -0.13 0.00 -0.50 0.00 0.00 54.79 53.92 2kfw n ASP 6 Cb 0.78 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.64 2kfw n ASP 6 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 2kfw s LEU 7 N 0.00 2.20 0.27 -2.12 0.05 -1.18 -2.20 118.68 115.70 2kfw s LEU 7 Ca 0.00 -0.44 -0.29 0.00 0.05 0.00 0.00 54.13 53.45 2kfw s LEU 7 Cb 0.00 -0.18 -0.09 0.00 -2.05 0.00 0.00 46.19 43.87 2kfw s LEU 7 CO 0.00 -0.14 1.00 0.68 -0.55 0.00 0.00 176.35 177.34 2kfw s VAL 8 N -1.08 3.85 -0.20 1.48 -7.23 0.73 -3.35 120.40 114.61 2kfw s VAL 8 Ca -0.07 1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 61.89 2kfw s VAL 8 Cb -0.08 -4.15 0.06 0.00 0.56 0.00 0.00 36.38 32.77 2kfw s VAL 8 CO 0.00 0.41 0.06 -0.69 -0.31 0.00 0.00 175.10 174.57 2kfw s VAL 9 N -1.22 0.31 -0.52 1.32 1.01 -0.43 -1.50 120.40 119.36 2kfw s VAL 9 Ca 0.43 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 2kfw s VAL 9 Cb -0.28 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2kfw s VAL 9 CO 0.35 -0.29 0.82 -0.55 0.00 0.00 0.00 175.10 175.42 2kfw s SER 10 N 1.95 6.31 -0.03 3.32 0.15 -1.23 -3.12 113.70 121.06 2kfw s SER 10 Ca 0.01 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.19 2kfw s SER 10 Cb -0.17 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2kfw s SER 10 CO -0.11 -1.08 -0.08 -1.48 1.20 0.00 0.00 173.24 171.69 2kfw s LEU 11 N 3.45 1.75 0.69 3.45 2.34 -1.10 -0.59 118.68 128.67 2kfw s LEU 11 Ca 0.26 -0.17 -0.08 0.00 0.06 0.00 0.00 54.13 54.19 2kfw s LEU 11 Cb -0.14 -0.52 0.05 0.00 -0.56 0.00 0.00 46.19 45.01 2kfw s LEU 11 CO 0.17 0.05 1.02 0.00 -1.06 0.00 0.00 176.35 176.54 2kfw s ALA 12 N 0.27 3.08 -0.14 1.48 0.00 -0.52 -3.77 121.76 122.15 2kfw s ALA 12 Ca -0.04 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2kfw s ALA 12 Cb -0.09 -2.71 0.06 0.00 0.00 0.00 0.00 23.12 20.38 2kfw s ALA 12 CO 0.00 -1.22 0.58 1.52 0.00 0.00 0.00 175.76 176.64 2kfw s TYR 13 N -3.25 -0.58 -0.13 0.00 -0.85 -1.21 -0.15 117.35 111.17 2kfw s TYR 13 Ca 0.59 1.26 0.03 0.00 -0.52 0.00 0.00 57.07 58.43 2kfw s TYR 13 Cb -0.11 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.50 2kfw s TYR 13 CO 0.46 -0.41 -0.22 -0.65 -1.52 0.00 0.00 175.55 173.21 2kfw s GLN 14 N -0.36 2.95 -0.15 -3.49 -0.21 0.04 -1.15 119.66 117.28 2kfw s GLN 14 Ca -0.05 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.47 2kfw s GLN 14 Cb -0.03 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 2kfw s GLN 14 CO 0.04 0.03 -0.08 0.54 -2.12 0.00 0.00 175.29 173.70 2kfw s VAL 15 N 0.71 3.48 -0.03 1.09 0.11 -0.46 0.12 120.40 125.42 2kfw s VAL 15 Ca -0.10 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2kfw s VAL 15 Cb -0.16 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2kfw s VAL 15 CO 0.01 0.50 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.59 2kfw s ARG 16 N 0.48 0.94 0.33 1.54 3.52 -0.22 -2.33 118.95 123.21 2kfw s ARG 16 Ca -0.06 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 2kfw s ARG 16 Cb -0.15 -0.88 -0.07 0.00 -1.56 0.00 0.00 34.95 32.28 2kfw s ARG 16 CO 0.04 0.11 0.69 0.95 -0.81 0.00 0.00 175.30 176.27 2kfw s THR 17 N 0.20 4.80 -0.15 4.11 -4.23 0.25 -1.70 115.64 118.92 2kfw s THR 17 Ca -0.03 0.65 0.16 0.00 -1.18 0.00 0.00 61.69 61.29 2kfw s THR 17 Cb -0.08 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 70.26 2kfw s THR 17 CO 0.00 -0.28 1.46 -0.62 -0.54 0.00 0.00 174.62 174.64 2kfw n GLU 18 N -0.68 0.11 0.00 3.99 4.71 -1.26 -0.91 120.64 126.60 2kfw n GLU 18 Ca 0.02 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 2kfw n GLU 18 Cb 0.53 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 2kfw n GLU 18 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2kfw n ASP 19 N -2.11 0.36 -1.10 1.62 9.92 -1.26 -4.80 116.55 119.17 2kfw n ASP 19 Ca -0.01 -2.00 -0.10 0.00 -0.53 0.00 0.00 54.79 52.15 2kfw n ASP 19 Cb 0.16 -0.18 -0.01 0.00 -0.64 0.00 0.00 41.12 40.45 2kfw n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfw n GLY 20 N 0.32 0.13 3.37 0.44 0.00 -0.09 -5.02 105.19 104.35 2kfw n GLY 20 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.49 2.15 -0.21 1.61 1.01 -1.18 -4.95 120.40 116.34 2kfw s VAL 21 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.16 2kfw s VAL 21 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2kfw s VAL 21 CO 0.00 -0.00 -0.03 -1.48 0.00 0.00 0.00 175.10 173.59 2kfw s LEU 22 N -2.18 3.03 0.22 3.92 0.05 -1.26 0.86 118.68 123.31 2kfw s LEU 22 Ca 0.14 -0.31 0.11 0.00 0.05 0.00 0.00 54.13 54.12 2kfw s LEU 22 Cb -0.09 -1.77 0.01 0.00 -2.05 0.00 0.00 46.19 42.29 2kfw s LEU 22 CO 0.06 0.03 1.41 0.58 -0.55 0.00 0.00 176.35 177.88 2kfw h VAL 23 N 5.56 1.28 0.00 1.48 2.07 -1.83 -3.48 116.25 121.33 2kfw h VAL 23 Ca -0.38 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.45 2kfw h VAL 23 Cb 1.17 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2kfw h VAL 23 CO 0.60 0.71 0.00 -0.67 0.02 0.00 0.00 177.57 178.23 2kfw n ASP 24 N -3.34 0.00 -3.77 0.57 2.03 -1.25 -5.04 116.55 105.75 2kfw n ASP 24 Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 2kfw n ASP 24 Cb 0.80 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.10 2kfw n ASP 24 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2kfw s GLU 25 N -2.00 0.51 -0.22 -0.67 1.03 -1.26 -1.35 118.70 114.74 2kfw s GLU 25 Ca 0.00 0.11 0.01 0.00 0.03 0.00 0.00 54.97 55.12 2kfw s GLU 25 Cb 0.00 0.24 0.05 0.00 -0.80 0.00 0.00 34.13 33.61 2kfw s GLU 25 CO 0.00 -0.11 -0.10 -1.12 -1.33 0.00 0.00 175.26 172.60 2kfw s SER 26 N -0.60 3.79 1.05 0.83 0.01 -0.30 -4.97 113.70 113.52 2kfw s SER 26 Ca -0.07 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 55.95 2kfw s SER 26 Cb -0.04 -1.34 0.22 0.00 0.21 0.00 0.00 66.02 65.07 2kfw s SER 26 CO 0.02 -0.16 1.17 -2.16 0.41 0.00 0.00 173.24 172.52 2kfw s PRO 27 N 1.30 -0.04 0.06 12.44 0.04 -1.26 -3.33 135.00 144.21 2kfw s PRO 27 Ca -0.04 -0.02 0.19 0.00 0.04 0.00 0.00 61.00 61.17 2kfw s PRO 27 Cb -0.18 -1.73 0.79 0.00 0.04 0.00 0.00 34.50 33.42 2kfw s PRO 27 CO -0.07 -2.93 1.59 0.28 0.04 0.00 0.00 177.00 175.91 2kfw n VAL 28 N -4.22 0.81 0.93 -0.36 0.31 -1.26 -2.33 118.33 112.22 2kfw n VAL 28 Ca 0.11 0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.76 2kfw n VAL 28 Cb 0.59 -0.95 0.57 0.00 -0.91 0.00 0.00 33.84 33.14 2kfw n VAL 28 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2kfw n SER 29 N -1.69 0.00 -2.87 4.52 3.41 -1.26 -4.11 113.62 111.63 2kfw n SER 29 Ca 0.04 0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 58.99 2kfw n SER 29 Cb 0.22 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.48 0.00 -1.77 7.33 0.00 -0.98 -5.13 120.51 118.48 2kfw n ALA 30 Ca 0.07 -2.03 -0.39 0.00 0.00 0.00 0.00 53.44 51.09 2kfw n ALA 30 Cb 0.30 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 4.41 -0.30 0.00 0.04 -1.22 -4.64 135.00 132.82 2kfw s PRO 31 Ca 0.28 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 2kfw s PRO 31 Cb 0.30 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.88 2kfw s PRO 31 CO -0.07 0.00 0.96 -1.17 0.04 0.00 0.00 177.00 176.76 2kfw s LEU 32 N -1.89 4.02 -0.53 -3.56 2.96 -1.25 -4.78 118.68 113.64 2kfw s LEU 32 Ca 0.50 0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.16 2kfw s LEU 32 Cb -0.31 -3.36 0.06 0.00 0.50 0.00 0.00 46.19 43.09 2kfw s LEU 32 CO 0.40 -0.74 0.67 1.51 -1.32 0.00 0.00 176.35 176.87 2kfw s ASP 33 N 1.57 6.22 0.22 3.68 -4.77 -1.26 -2.71 116.67 119.63 2kfw s ASP 33 Ca 0.40 -0.95 0.02 0.00 -3.30 0.00 0.00 52.55 48.72 2kfw s ASP 33 Cb -0.13 -2.31 -0.05 0.00 -1.09 0.00 0.00 42.92 39.34 2kfw s ASP 33 CO 0.13 -0.97 0.04 -0.72 0.70 0.00 0.00 175.17 174.34 2kfw s TYR 34 N 2.79 1.44 0.25 2.11 -0.85 -1.18 -4.85 117.35 117.06 2kfw s TYR 34 Ca 0.16 -1.05 -0.30 0.00 -0.52 0.00 0.00 57.07 55.36 2kfw s TYR 34 Cb -0.19 -0.84 -0.09 0.00 0.38 0.00 0.00 41.96 41.22 2kfw s TYR 34 CO 0.12 -0.21 0.98 -1.17 -1.52 0.00 0.00 175.55 173.75 2kfw s LEU 35 N -3.27 4.62 0.35 -3.49 2.96 -1.21 -1.32 118.68 117.32 2kfw s LEU 35 Ca 0.30 2.03 -0.18 0.00 -0.22 0.00 0.00 54.13 56.06 2kfw s LEU 35 Cb 0.07 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2kfw s LEU 35 CO 0.09 0.07 0.82 -2.28 -1.32 0.00 0.00 176.35 173.73 2kfw s HIS 36 N -1.19 3.40 0.00 5.38 5.65 -1.21 -3.66 115.29 123.66 2kfw s HIS 36 Ca 0.42 1.40 0.00 0.00 0.25 0.00 0.00 55.06 57.14 2kfw s HIS 36 Cb -0.27 -2.67 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 2kfw s HIS 36 CO 0.34 0.06 0.00 0.41 -0.65 0.00 0.00 174.74 174.90 2kfw n GLY 37 N -0.29 2.06 2.69 1.59 0.00 -1.26 -4.03 105.19 105.95 2kfw n GLY 37 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 2.04 0.00 1.61 0.00 -1.26 -4.86 115.29 112.82 2kfw s HIS 38 Ca 0.00 -2.51 0.00 0.00 -3.00 0.00 0.00 55.06 49.55 2kfw s HIS 38 Cb 0.00 -1.84 0.00 0.00 -4.00 0.00 0.00 32.58 26.74 2kfw s HIS 38 CO 0.00 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 173.39 2kfw n GLY 39 N 3.26 0.48 2.55 -1.38 0.00 -1.24 -4.56 105.19 104.29 2kfw n GLY 39 Ca 0.13 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2kfw n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfw n SER 40 N 0.00 0.40 0.00 1.61 2.88 -1.25 -3.32 113.62 113.94 2kfw n SER 40 Ca 0.00 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 2kfw n SER 40 Cb 0.00 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2kfw n SER 40 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kfw n LEU 41 N -0.02 0.00 -3.79 2.46 4.32 -1.26 -4.65 117.00 114.06 2kfw n LEU 41 Ca 0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 2kfw n LEU 41 Cb 0.77 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.52 2kfw n LEU 41 CO 0.18 0.00 0.10 0.27 -1.22 0.00 0.00 177.39 176.71 2kfw s ILE 42 N 0.00 0.07 0.03 -0.08 -4.36 -1.26 -4.98 121.20 110.62 2kfw s ILE 42 Ca 0.00 -0.97 -0.18 0.00 -0.26 0.00 0.00 60.65 59.25 2kfw s ILE 42 Cb 0.00 -1.51 -0.23 0.00 1.25 0.00 0.00 42.46 41.97 2kfw s ILE 42 CO 0.00 -0.31 1.14 0.77 0.24 0.00 0.00 174.94 176.78 2kfw h SER 43 N 2.43 0.68 -0.91 4.36 4.64 -1.87 -2.57 113.55 120.32 2kfw h SER 43 Ca -0.32 -0.74 0.25 0.00 -0.47 0.00 0.00 61.79 60.51 2kfw h SER 43 Cb 1.24 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.98 2kfw h SER 43 CO 0.46 1.33 0.31 1.23 -0.87 0.00 0.00 176.83 179.29 2kfw h GLY 44 N 0.09 1.51 1.72 -0.77 0.00 -1.96 0.34 103.07 104.00 2kfw h GLY 44 Ca -0.09 -0.08 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 2kfw h GLY 44 CO 0.15 -0.39 -1.12 -2.00 0.00 0.00 0.00 176.54 173.18 2kfw h LEU 45 N 0.24 0.32 -0.31 3.11 6.46 -1.82 -3.32 115.31 119.99 2kfw h LEU 45 Ca 0.59 -0.32 0.06 0.00 -0.12 0.00 0.00 57.88 58.09 2kfw h LEU 45 Cb 1.23 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 2kfw h LEU 45 CO -0.65 1.22 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.99 2kfw h GLU 46 N 0.07 -0.01 -1.14 1.25 5.08 0.07 0.57 114.58 120.49 2kfw h GLU 46 Ca -0.09 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.60 2kfw h GLU 46 Cb 1.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 2kfw h GLU 46 CO 0.18 -0.00 0.81 1.79 -1.00 0.00 0.00 179.01 180.78 2kfw h THR 47 N -0.01 0.43 0.00 1.13 1.35 -1.44 0.98 112.91 115.36 2kfw h THR 47 Ca 0.15 -0.01 -0.08 0.00 -0.55 0.00 0.00 66.41 65.92 2kfw h THR 47 Cb 0.23 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 2kfw h THR 47 CO -0.32 0.01 -0.37 0.00 -0.25 0.00 0.00 175.52 174.59 2kfw h ALA 48 N 1.45 0.77 0.00 6.62 0.00 -1.05 -3.22 119.26 123.82 2kfw h ALA 48 Ca 0.55 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2kfw h ALA 48 Cb 2.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2kfw h ALA 48 CO -0.04 0.46 -0.80 -0.07 0.00 0.00 0.00 179.25 178.81 2kfw h LEU 49 N 0.00 0.00 -9.87 0.00 -0.00 0.13 -3.45 115.31 102.13 2kfw h LEU 49 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 2kfw h LEU 49 Cb 1.27 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 42.00 2kfw h LEU 49 CO 0.05 0.80 0.70 -0.70 -0.00 0.00 0.00 178.44 179.29 2kfw s GLU 50 N -2.88 4.28 -0.94 1.13 2.12 -0.78 -3.49 118.70 118.13 2kfw s GLU 50 Ca 0.02 2.32 -0.05 0.00 0.36 0.00 0.00 54.97 57.62 2kfw s GLU 50 Cb 0.09 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2kfw s GLU 50 CO 0.79 -0.32 0.82 0.41 -0.54 0.00 0.00 175.26 176.43 2kfw n GLY 51 N 0.98 -1.18 0.00 -1.50 0.00 -1.26 -5.02 105.19 97.21 2kfw n GLY 51 Ca 0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.80 0.00 -3.64 1.61 -0.00 -1.23 -5.06 115.22 104.11 2kfw n HIS 52 Ca -0.05 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.10 2kfw n HIS 52 Cb 0.58 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.41 2kfw n HIS 52 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2kfw s GLU 53 N 3.69 0.08 -0.19 1.57 2.12 -1.26 -4.97 118.70 119.74 2kfw s GLU 53 Ca 0.00 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 2kfw s GLU 53 Cb 0.00 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 2kfw s GLU 53 CO 0.00 -0.03 1.28 0.08 -0.54 0.00 0.00 175.26 176.05 2kfw s VAL 54 N -1.28 4.24 0.00 3.70 1.01 -1.26 -2.48 120.40 124.34 2kfw s VAL 54 Ca 0.09 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.56 2kfw s VAL 54 Cb -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kfw s VAL 54 CO -0.06 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2kfw n GLY 55 N 3.75 0.63 3.68 4.51 0.00 -0.23 -5.00 105.19 112.54 2kfw n GLY 55 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.89 6.72 -0.06 1.61 2.15 -1.03 -4.91 116.67 118.26 2kfw s ASP 56 Ca 0.00 0.87 0.04 0.00 0.43 0.00 0.00 52.55 53.89 2kfw s ASP 56 Cb 0.00 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.26 2kfw s ASP 56 CO 0.00 -0.17 -0.16 -0.54 -0.17 0.00 0.00 175.17 174.13 2kfw s LYS 57 N 1.38 2.62 0.30 4.34 1.02 -1.26 -2.84 119.74 125.30 2kfw s LYS 57 Ca 0.29 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2kfw s LYS 57 Cb -0.16 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 2kfw s LYS 57 CO 0.12 0.52 0.27 -0.59 -0.92 0.00 0.00 175.35 174.75 2kfw s PHE 58 N -0.48 1.49 -0.04 3.18 -0.71 -0.71 -5.00 117.98 115.71 2kfw s PHE 58 Ca 0.06 -1.53 0.02 0.00 -1.04 0.00 0.00 56.93 54.44 2kfw s PHE 58 Cb -0.12 -0.57 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 2kfw s PHE 58 CO 0.02 -0.86 -0.08 0.16 -1.34 0.00 0.00 175.22 173.12 2kfw s ASP 59 N -3.30 1.23 0.06 1.98 -4.77 -1.26 -1.45 116.67 109.17 2kfw s ASP 59 Ca 0.39 -0.19 0.03 0.00 -3.30 0.00 0.00 52.55 49.47 2kfw s ASP 59 Cb 0.03 -0.47 -0.03 0.00 -1.09 0.00 0.00 42.92 41.36 2kfw s ASP 59 CO 0.23 0.02 -0.09 0.54 0.70 0.00 0.00 175.17 176.56 2kfw s VAL 60 N 0.53 0.71 -0.36 2.11 0.11 -0.35 -4.97 120.40 118.18 2kfw s VAL 60 Ca -0.09 -1.28 -0.13 0.00 -2.93 0.00 0.00 61.98 57.55 2kfw s VAL 60 Cb -0.12 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2kfw s VAL 60 CO 0.01 -0.43 0.25 0.00 -3.33 0.00 0.00 175.10 171.60 2kfw s ALA 61 N -1.74 3.44 -0.14 1.54 0.00 -1.26 0.94 121.76 124.53 2kfw s ALA 61 Ca -0.04 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 2kfw s ALA 61 Cb -0.07 -2.70 0.07 0.00 0.00 0.00 0.00 23.12 20.41 2kfw s ALA 61 CO 0.00 -1.18 0.18 0.08 0.00 0.00 0.00 175.76 174.85 2kfw s VAL 62 N 1.67 -0.28 0.00 0.00 1.01 -0.86 -4.90 120.40 117.05 2kfw s VAL 62 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2kfw s VAL 62 Cb -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2kfw s VAL 62 CO 0.09 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2kfw n GLY 63 N 5.32 -1.71 0.11 4.51 0.00 -1.26 -4.40 105.19 107.76 2kfw n GLY 63 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.07 0.63 0.00 4.61 0.00 -1.49 -2.19 119.26 120.89 2kfw h ALA 64 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2kfw h ALA 64 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kfw h ALA 64 CO 0.00 0.82 -0.68 -0.97 0.00 0.00 0.00 179.25 178.42 2kfw h ASN 65 N 0.00 0.00 0.00 0.00 -1.24 -1.87 -2.06 115.58 110.40 2kfw h ASN 65 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2kfw h ASN 65 Cb 1.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.56 2kfw h ASN 65 CO 0.07 0.60 0.00 -0.67 -1.29 0.00 0.00 177.43 176.14 2kfw n ASP 66 N -3.21 0.00 -3.59 1.15 2.03 -1.24 -4.91 116.55 106.77 2kfw n ASP 66 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2kfw n ASP 66 Cb 0.78 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.15 2kfw n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kfw s ALA 67 N 0.00 -2.03 -0.35 -1.67 0.00 -0.83 -4.37 121.76 112.51 2kfw s ALA 67 Ca 0.00 1.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 2kfw s ALA 67 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2kfw s ALA 67 CO 0.00 -0.49 1.58 2.48 0.00 0.00 0.00 175.76 179.33 2kfw n TYR 68 N 0.15 0.52 -3.24 0.00 0.18 -1.26 -4.07 117.16 109.43 2kfw n TYR 68 Ca -0.02 -1.05 -0.13 0.00 1.88 0.00 0.00 57.90 58.57 2kfw n TYR 68 Cb 0.59 -1.07 -0.05 0.00 -0.38 0.00 0.00 39.34 38.42 2kfw n TYR 68 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2kfw s GLY 69 N 3.65 -0.26 -1.29 -7.48 0.00 -1.22 -4.93 107.32 95.78 2kfw s GLY 69 Ca 0.22 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2kfw s GLY 69 CO -0.01 2.96 0.91 -1.06 0.00 0.00 0.00 173.10 175.90 2kfw n GLN 70 N 3.85 -6.06 -2.21 2.90 1.13 -1.26 -2.05 117.38 113.68 2kfw n GLN 70 Ca 0.15 0.74 -0.42 0.00 -1.94 0.00 0.00 57.00 55.52 2kfw n GLN 70 Cb 0.49 -5.58 -0.03 0.00 0.11 0.00 0.00 30.24 25.24 2kfw n GLN 70 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2kfw s TYR 71 N -3.46 3.01 -0.45 1.08 1.13 -1.24 0.22 117.35 117.65 2kfw s TYR 71 Ca 0.14 0.88 0.08 0.00 -1.41 0.00 0.00 57.07 56.76 2kfw s TYR 71 Cb -0.07 -3.66 0.26 0.00 -1.10 0.00 0.00 41.96 37.39 2kfw s TYR 71 CO 0.77 -2.39 0.59 -3.47 -2.51 0.00 0.00 175.55 168.54 2kfw n ASP 72 N 4.78 1.04 0.05 -0.18 -0.08 -0.78 -4.50 116.55 116.89 2kfw n ASP 72 Ca 0.12 -2.88 -0.05 0.00 -1.51 0.00 0.00 54.79 50.47 2kfw n ASP 72 Cb 0.43 -0.64 0.15 0.00 2.34 0.00 0.00 41.12 43.39 2kfw n ASP 72 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2kfw h GLU 73 N 3.97 0.39 0.00 -0.67 5.08 -1.91 -2.82 114.58 118.62 2kfw h GLU 73 Ca 0.10 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kfw h GLU 73 Cb 0.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kfw h GLU 73 CO 0.55 0.77 0.00 -0.97 -1.00 0.00 0.00 179.01 178.36 2kfw h ASN 74 N 0.32 0.00 -1.59 1.42 -1.24 -1.92 -3.29 115.58 109.28 2kfw h ASN 74 Ca 0.02 0.00 0.46 0.00 0.71 0.00 0.00 56.30 57.49 2kfw h ASN 74 Cb 0.92 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.91 2kfw h ASN 74 CO 0.08 0.00 1.14 0.17 -1.29 0.00 0.00 177.43 177.53 2kfw h LEU 75 N 0.00 0.00 -7.36 0.34 8.10 -1.59 -0.51 115.31 114.29 2kfw h LEU 75 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.74 2kfw h LEU 75 Cb 0.74 0.00 -0.33 0.00 -0.44 0.00 0.00 40.66 40.64 2kfw h LEU 75 CO 0.00 -0.00 -0.59 0.54 -4.11 0.00 0.00 178.44 174.28 2kfw s VAL 76 N -4.91 -0.13 -0.11 0.15 0.11 -1.24 -3.76 120.40 110.50 2kfw s VAL 76 Ca -0.05 0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 59.10 2kfw s VAL 76 Cb 0.25 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.85 2kfw s VAL 76 CO 0.85 0.10 0.36 -1.58 -3.33 0.00 0.00 175.10 171.50 2kfw s GLN 77 N 1.57 0.47 -0.11 1.54 0.74 -0.64 -4.97 119.66 118.25 2kfw s GLN 77 Ca -0.05 0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.74 2kfw s GLN 77 Cb -0.12 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.24 2kfw s GLN 77 CO -0.06 -0.08 -0.11 1.03 -0.55 0.00 0.00 175.29 175.52 2kfw s ARG 78 N -0.09 1.87 -0.03 1.67 1.81 -1.26 -1.29 118.95 121.64 2kfw s ARG 78 Ca -0.02 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 2kfw s ARG 78 Cb -0.03 -1.75 0.03 0.00 -0.45 0.00 0.00 34.95 32.75 2kfw s ARG 78 CO 0.01 -0.18 0.01 0.14 -0.68 0.00 0.00 175.30 174.60 2kfw s VAL 79 N 1.37 0.14 0.89 3.52 -7.23 -1.01 -4.90 120.40 113.18 2kfw s VAL 79 Ca -0.00 0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.17 2kfw s VAL 79 Cb -0.14 -0.25 0.13 0.00 0.56 0.00 0.00 36.38 36.68 2kfw s VAL 79 CO -0.06 0.14 1.11 -2.16 -0.31 0.00 0.00 175.10 173.82 2kfw s PRO 80 N 1.10 1.29 0.59 4.82 0.04 -1.26 -1.73 135.00 139.84 2kfw s PRO 80 Ca -0.09 0.51 0.29 0.00 0.04 0.00 0.00 61.00 61.75 2kfw s PRO 80 Cb -0.13 -1.84 1.42 0.00 0.04 0.00 0.00 34.50 33.99 2kfw s PRO 80 CO -0.02 -2.14 1.82 1.57 0.04 0.00 0.00 177.00 178.27 2kfw h LYS 81 N -1.46 0.00 0.00 4.56 2.10 -1.92 0.46 116.57 120.31 2kfw h LYS 81 Ca -0.50 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2kfw h LYS 81 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2kfw h LYS 81 CO 0.59 0.00 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.59 2kfw h ASP 82 N 0.00 0.00 0.00 7.07 3.32 -1.95 -0.08 116.42 124.78 2kfw h ASP 82 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2kfw h ASP 82 Cb 1.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.03 2kfw h ASP 82 CO -0.00 0.01 0.00 0.52 -1.72 0.00 0.00 179.24 178.05 2kfw n VAL 83 N -3.35 0.00 0.00 -1.35 0.31 0.16 -4.73 118.33 109.38 2kfw n VAL 83 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2kfw n VAL 83 Cb 0.11 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.71 0.00 0.00 3.52 3.72 -0.04 -4.93 117.46 119.02 2kfw n PHE 84 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2kfw n PHE 84 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2kfw n PHE 84 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2kfw n MET 85 N 0.00 0.00 -3.81 -1.08 2.81 -1.26 -5.03 117.12 108.74 2kfw n MET 85 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 2kfw n MET 85 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 2kfw n MET 85 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2kfw s GLY 86 N -1.11 2.97 -0.99 3.03 0.00 -1.26 -4.96 107.32 104.99 2kfw s GLY 86 Ca 0.00 -3.82 -0.08 0.00 0.00 0.00 0.00 44.72 40.82 2kfw s GLY 86 CO 0.00 1.11 3.04 3.33 0.00 0.00 0.00 173.10 180.59 2kfw n VAL 87 N 2.14 3.61 0.30 1.40 0.24 -1.26 -4.56 118.33 120.20 2kfw n VAL 87 Ca 0.20 -2.06 0.20 0.00 -2.04 0.00 0.00 64.34 60.63 2kfw n VAL 87 Cb 0.36 -2.34 1.03 0.00 -1.47 0.00 0.00 33.84 31.41 2kfw n VAL 87 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2kfw h ASP 88 N 4.50 0.00 -0.85 -1.34 1.82 -2.02 -3.39 116.42 115.14 2kfw h ASP 88 Ca 0.60 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 57.34 2kfw h ASP 88 Cb 0.66 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.47 2kfw h ASP 88 CO 1.22 0.00 -0.23 -1.61 -1.61 0.00 0.00 179.24 177.01 2kfw s GLU 89 N -3.96 0.48 -0.06 0.28 8.01 -1.26 -5.15 118.70 117.04 2kfw s GLU 89 Ca -0.04 0.71 0.05 0.00 0.01 0.00 0.00 54.97 55.70 2kfw s GLU 89 Cb 0.11 0.38 -0.02 0.00 -4.31 0.00 0.00 34.13 30.29 2kfw s GLU 89 CO 0.37 -0.66 -0.19 -1.17 0.01 0.00 0.00 175.26 173.62 2kfw s LEU 90 N 2.87 2.45 0.37 1.80 2.96 -1.26 -5.13 118.68 122.74 2kfw s LEU 90 Ca 0.15 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2kfw s LEU 90 Cb -0.12 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2kfw s LEU 90 CO -0.21 0.30 0.18 0.00 -1.32 0.00 0.00 176.35 175.30 2kfw s GLN 91 N -0.45 1.83 0.08 1.98 -2.07 -1.26 -5.10 119.66 114.67 2kfw s GLN 91 Ca 0.05 -2.09 -0.18 0.00 -1.82 0.00 0.00 55.36 51.32 2kfw s GLN 91 Cb -0.12 -0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 31.52 2kfw s GLN 91 CO 0.01 -0.54 0.56 0.14 -1.32 0.00 0.00 175.29 174.14 2kfw s VAL 92 N -3.35 4.78 0.00 3.63 -7.23 -1.26 -3.99 120.40 112.98 2kfw s VAL 92 Ca 0.31 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 2kfw s VAL 92 Cb 0.03 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2kfw s VAL 92 CO 0.19 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 2kfw n GLY 93 N 1.57 0.90 3.66 2.32 0.00 -1.24 -5.06 105.19 107.34 2kfw n GLY 93 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.64 4.28 -0.12 1.61 1.75 -1.26 -4.93 119.30 119.99 2kfw s MET 94 Ca 0.00 1.23 -0.02 0.00 -1.25 0.00 0.00 55.69 55.65 2kfw s MET 94 Cb 0.00 -3.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.03 2kfw s MET 94 CO 0.00 -0.51 -0.06 1.03 -0.65 0.00 0.00 175.02 174.83 2kfw s ARG 95 N 2.77 3.34 0.16 4.11 0.52 -1.26 -2.93 118.95 125.65 2kfw s ARG 95 Ca 0.42 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 54.99 2kfw s ARG 95 Cb -0.16 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2kfw s ARG 95 CO 0.09 0.38 0.28 -0.59 0.02 0.00 0.00 175.30 175.48 2kfw s PHE 96 N -0.02 0.39 0.25 -0.53 -0.12 -1.12 -5.01 117.98 111.81 2kfw s PHE 96 Ca 0.00 -0.75 -0.29 0.00 -0.05 0.00 0.00 56.93 55.84 2kfw s PHE 96 Cb -0.13 -0.06 -0.09 0.00 -0.63 0.00 0.00 43.02 42.11 2kfw s PHE 96 CO 0.03 -0.71 0.93 -1.17 -0.05 0.00 0.00 175.22 174.25 2kfw s LEU 97 N -2.96 4.61 -0.32 -1.99 0.20 -1.26 -2.14 118.68 114.82 2kfw s LEU 97 Ca 0.17 1.92 -0.07 0.00 0.69 0.00 0.00 54.13 56.84 2kfw s LEU 97 Cb 0.03 -3.65 0.02 0.00 -0.43 0.00 0.00 46.19 42.17 2kfw s LEU 97 CO -0.00 0.13 0.09 0.00 -0.29 0.00 0.00 176.35 176.28 2kfw s ALA 98 N -1.24 3.06 -0.78 5.97 0.00 0.29 -4.87 121.76 124.20 2kfw s ALA 98 Ca 0.42 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 2kfw s ALA 98 Cb -0.25 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2kfw s ALA 98 CO 0.31 -1.12 1.79 -2.00 0.00 0.00 0.00 175.76 174.74 2kfw s GLU 99 N 1.46 2.75 0.29 0.00 2.56 -1.26 -2.24 118.70 122.27 2kfw s GLU 99 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.97 55.05 2kfw s GLU 99 Cb -0.18 -4.72 -0.02 0.00 2.00 0.00 0.00 34.13 31.21 2kfw s GLU 99 CO 0.03 -2.86 0.37 0.99 -0.56 0.00 0.00 175.26 173.22 2kfw s THR 100 N 8.70 4.47 0.55 -1.70 2.01 -0.75 -4.98 115.64 123.93 2kfw s THR 100 Ca 0.63 -1.10 0.23 0.00 0.31 0.00 0.00 61.69 61.76 2kfw s THR 100 Cb -0.09 -3.54 0.33 0.00 0.01 0.00 0.00 72.50 69.22 2kfw s THR 100 CO 0.09 -0.25 2.11 -0.78 -0.69 0.00 0.00 174.62 175.10 2kfw h ASP 101 N 1.12 0.00 0.35 3.53 3.58 -2.03 0.31 116.42 123.29 2kfw h ASP 101 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kfw h ASP 101 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2kfw h ASP 101 CO 0.57 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.93 2kfw n GLN 102 N -4.23 0.27 0.00 0.28 6.02 -1.26 -4.97 117.38 113.48 2kfw n GLN 102 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2kfw n GLN 102 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2kfw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfw n GLY 103 N 0.31 0.38 3.64 1.08 0.00 0.11 -4.99 105.19 105.72 2kfw n GLY 103 Ca 0.09 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.12 4.00 -0.08 1.61 0.04 -1.26 -1.82 135.00 137.37 2kfw s PRO 104 Ca 0.00 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.64 2kfw s PRO 104 Cb 0.00 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.65 2kfw s PRO 104 CO 0.00 -1.02 -0.10 0.08 0.04 0.00 0.00 177.00 175.99 2kfw s VAL 105 N 4.33 1.09 0.42 -0.36 1.01 -0.95 -4.96 120.40 120.98 2kfw s VAL 105 Ca 0.62 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 2kfw s VAL 105 Cb -0.22 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 2kfw s VAL 105 CO 0.23 0.36 1.09 -2.16 0.00 0.00 0.00 175.10 174.62 2kfw s PRO 106 N 1.07 4.01 0.06 2.72 0.04 -1.26 0.11 135.00 141.75 2kfw s PRO 106 Ca -0.07 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 2kfw s PRO 106 Cb -0.14 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 2kfw s PRO 106 CO -0.01 -0.30 0.08 0.14 0.04 0.00 0.00 177.00 176.95 2kfw s VAL 107 N -1.63 0.17 -0.24 -0.36 -7.23 -0.91 -4.44 120.40 105.77 2kfw s VAL 107 Ca 0.60 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2kfw s VAL 107 Cb -0.24 -1.31 0.07 0.00 0.56 0.00 0.00 36.38 35.46 2kfw s VAL 107 CO 0.30 -0.78 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.69 2kfw s GLU 108 N -3.60 1.30 0.07 4.82 2.02 0.14 -2.79 118.70 120.65 2kfw s GLU 108 Ca 0.03 -0.90 -0.33 0.00 0.02 0.00 0.00 54.97 53.79 2kfw s GLU 108 Cb 0.05 -2.45 -0.12 0.00 0.10 0.00 0.00 34.13 31.71 2kfw s GLU 108 CO -0.09 -0.66 1.74 1.51 0.02 0.00 0.00 175.26 177.77 2kfw n ILE 109 N 4.76 0.27 -0.00 -1.63 3.06 -1.15 -2.84 119.36 121.83 2kfw n ILE 109 Ca -0.10 -0.05 0.04 0.00 -2.50 0.00 0.00 62.75 60.14 2kfw n ILE 109 Cb 0.44 -1.79 -0.06 0.00 0.54 0.00 0.00 39.64 38.78 2kfw n ILE 109 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 2kfw n THR 110 N 4.27 0.01 0.00 9.51 5.66 -1.09 -3.66 114.28 128.97 2kfw n THR 110 Ca 0.19 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2kfw n THR 110 Cb 0.31 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2kfw n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kfw n ALA 111 N -1.76 0.00 -2.55 1.79 0.00 -1.25 -4.88 120.51 111.85 2kfw n ALA 111 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2kfw n ALA 111 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 2kfw n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kfw s VAL 112 N -1.24 4.67 0.74 0.00 0.11 -1.26 -1.71 120.40 121.71 2kfw s VAL 112 Ca 0.00 0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 59.47 2kfw s VAL 112 Cb 0.00 -4.30 0.07 0.00 -1.53 0.00 0.00 36.38 30.62 2kfw s VAL 112 CO 0.00 -0.66 1.07 -1.61 -3.33 0.00 0.00 175.10 170.57 2kfw s GLU 113 N 3.25 2.08 0.14 1.54 0.41 -0.30 -4.92 118.70 120.90 2kfw s GLU 113 Ca 0.30 -0.16 -0.30 0.00 -0.41 0.00 0.00 54.97 54.40 2kfw s GLU 113 Cb -0.12 -2.10 -0.07 0.00 -1.78 0.00 0.00 34.13 30.06 2kfw s GLU 113 CO 0.22 -1.38 1.00 -0.51 -0.49 0.00 0.00 175.26 174.10 2kfw s ASP 114 N -4.55 7.44 0.00 -0.19 1.01 -1.26 -3.11 116.67 116.01 2kfw s ASP 114 Ca 0.61 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.76 2kfw s ASP 114 Cb -0.11 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.23 2kfw s ASP 114 CO 0.46 -0.10 0.00 -0.67 0.21 0.00 0.00 175.17 175.07 2kfw n ASP 115 N 2.59 0.00 -3.60 0.27 2.03 -1.26 -4.89 116.55 111.69 2kfw n ASP 115 Ca 0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 2kfw n ASP 115 Cb 0.48 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.27 2kfw n ASP 115 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2kfw s HIS 116 N -2.70 -0.13 0.51 -0.67 -3.43 -1.18 -4.70 115.29 102.98 2kfw s HIS 116 Ca 0.00 0.10 0.09 0.00 -0.80 0.00 0.00 55.06 54.45 2kfw s HIS 116 Cb 0.00 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.71 2kfw s HIS 116 CO 0.00 -0.20 0.70 0.08 -2.00 0.00 0.00 174.74 173.32 2kfw s VAL 117 N -2.24 2.53 0.02 -5.38 1.01 -0.71 -1.16 120.40 114.47 2kfw s VAL 117 Ca 0.09 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2kfw s VAL 117 Cb -0.01 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2kfw s VAL 117 CO -0.05 0.00 -0.18 -0.69 0.00 0.00 0.00 175.10 174.18 2kfw s VAL 118 N -2.54 1.47 -0.28 2.92 1.01 -0.69 -2.39 120.40 119.89 2kfw s VAL 118 Ca 0.59 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2kfw s VAL 118 Cb -0.08 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.14 2kfw s VAL 118 CO 0.36 0.27 0.80 0.54 0.00 0.00 0.00 175.10 177.07 2kfw s VAL 119 N -0.63 0.00 0.44 2.92 0.11 -0.41 -2.66 120.40 120.17 2kfw s VAL 119 Ca 0.06 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2kfw s VAL 119 Cb -0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2kfw s VAL 119 CO 0.01 0.00 0.18 1.51 -3.33 0.00 0.00 175.10 173.47 2kfw s ASP 120 N 1.10 4.40 -0.40 3.54 1.47 -1.13 -1.63 116.67 124.02 2kfw s ASP 120 Ca -0.06 -1.16 0.04 0.00 1.18 0.00 0.00 52.55 52.56 2kfw s ASP 120 Cb -0.05 -0.29 0.30 0.00 -0.34 0.00 0.00 42.92 42.55 2kfw s ASP 120 CO -0.12 -0.63 1.19 0.61 0.68 0.00 0.00 175.17 176.90 2kfw n GLY 121 N -1.29 -0.48 3.20 2.12 0.00 -0.20 0.24 105.19 108.79 2kfw n GLY 121 Ca -0.03 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 2kfw n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kfw n ASN 122 N 0.78 -3.73 0.00 1.61 3.02 -1.26 -3.80 115.26 111.88 2kfw n ASN 122 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2kfw n ASN 122 Cb 0.71 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2kfw n ASN 122 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2kfw n HIS 123 N -3.27 0.00 -0.12 3.10 -0.00 -1.26 -4.85 115.22 108.82 2kfw n HIS 123 Ca 0.02 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.10 2kfw n HIS 123 Cb 0.58 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.43 2kfw n HIS 123 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2kfw h MET 124 N 0.00 0.57 0.00 1.57 2.86 -1.95 -3.43 114.93 114.56 2kfw h MET 124 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2kfw h MET 124 Cb 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2kfw h MET 124 CO 0.00 0.59 0.00 -0.11 1.06 0.00 0.00 176.91 178.45 2kfw n LEU 125 N -4.63 0.00 0.00 1.22 7.94 -1.26 -5.16 117.00 115.11 2kfw n LEU 125 Ca -0.01 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.67 2kfw n LEU 125 Cb 0.17 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.32 2kfw n LEU 125 CO 0.37 0.00 0.40 0.00 -1.11 0.00 0.00 177.39 177.05 2kfw n ALA 126 N 0.00 -2.96 0.00 1.96 0.00 -1.26 -4.73 120.51 113.52 2kfw n ALA 126 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2kfw n ALA 126 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2kfw n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfw n GLY 127 N -3.33 1.69 2.91 0.00 0.00 0.60 -4.84 105.19 102.22 2kfw n GLY 127 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 2.04 0.35 1.61 0.74 -1.22 -4.94 119.66 118.18 2kfw s GLN 128 Ca 0.00 -2.77 -0.27 0.00 0.05 0.00 0.00 55.36 52.37 2kfw s GLN 128 Cb 0.00 -3.23 -0.09 0.00 1.10 0.00 0.00 33.01 30.79 2kfw s GLN 128 CO 0.00 -1.17 1.14 -0.80 -0.55 0.00 0.00 175.29 173.91 2kfw s ASN 129 N -0.57 6.83 0.34 6.67 -0.87 -1.26 -3.72 114.94 122.36 2kfw s ASN 129 Ca 0.20 2.30 0.04 0.00 -1.57 0.00 0.00 52.86 53.82 2kfw s ASN 129 Cb -0.19 -2.62 -0.06 0.00 -0.02 0.00 0.00 41.25 38.36 2kfw s ASN 129 CO -0.05 -0.46 0.06 -1.48 -2.57 0.00 0.00 177.10 172.60 2kfw s LEU 130 N -2.12 2.17 0.03 0.60 2.34 -1.26 -4.69 118.68 115.75 2kfw s LEU 130 Ca 0.52 -1.42 -0.18 0.00 0.06 0.00 0.00 54.13 53.12 2kfw s LEU 130 Cb -0.30 -0.37 -0.06 0.00 -0.56 0.00 0.00 46.19 44.90 2kfw s LEU 130 CO 0.39 -0.65 0.52 -0.54 -1.06 0.00 0.00 176.35 175.01 2kfw s LYS 131 N -3.87 4.15 -0.21 1.48 -0.14 -0.69 -2.03 119.74 118.43 2kfw s LYS 131 Ca 0.35 0.62 -0.03 0.00 -1.36 0.00 0.00 55.97 55.55 2kfw s LYS 131 Cb 0.08 -3.26 0.07 0.00 -1.68 0.00 0.00 37.83 33.03 2kfw s LYS 131 CO 0.15 0.58 0.04 0.12 -0.76 0.00 0.00 175.35 175.48 2kfw s PHE 132 N -0.83 1.12 0.48 3.18 5.36 0.27 -1.06 117.98 126.50 2kfw s PHE 132 Ca 0.28 -0.99 -0.05 0.00 -0.96 0.00 0.00 56.93 55.21 2kfw s PHE 132 Cb -0.18 -1.11 -0.04 0.00 -0.34 0.00 0.00 43.02 41.35 2kfw s PHE 132 CO 0.16 -0.65 0.78 -0.80 -1.46 0.00 0.00 175.22 173.26 2kfw s ASN 133 N 1.82 6.27 0.11 6.13 0.02 0.31 -1.21 114.94 128.40 2kfw s ASN 133 Ca 0.00 0.93 -0.16 0.00 -1.02 0.00 0.00 52.86 52.61 2kfw s ASN 133 Cb -0.17 -2.25 0.03 0.00 0.02 0.00 0.00 41.25 38.88 2kfw s ASN 133 CO -0.11 -0.57 0.39 -0.69 0.02 0.00 0.00 177.10 176.14 2kfw s VAL 134 N -2.73 0.07 -0.16 1.60 1.01 -0.53 -0.78 120.40 118.87 2kfw s VAL 134 Ca 0.47 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2kfw s VAL 134 Cb -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.21 2kfw s VAL 134 CO 0.45 -0.32 0.36 -1.61 0.00 0.00 0.00 175.10 173.98 2kfw s GLU 135 N -3.55 0.29 0.18 2.72 2.02 0.78 -1.73 118.70 119.41 2kfw s GLU 135 Ca 0.01 0.85 -0.28 0.00 0.02 0.00 0.00 54.97 55.57 2kfw s GLU 135 Cb 0.02 0.10 -0.08 0.00 0.10 0.00 0.00 34.13 34.26 2kfw s GLU 135 CO -0.10 -0.22 0.86 0.08 0.02 0.00 0.00 175.26 175.90 2kfw s VAL 136 N 2.06 4.30 -0.10 2.63 1.01 -1.13 -1.44 120.40 127.73 2kfw s VAL 136 Ca -0.04 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2kfw s VAL 136 Cb -0.11 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 2kfw s VAL 136 CO -0.11 0.47 -0.06 0.52 0.00 0.00 0.00 175.10 175.92 2kfw n VAL 137 N 1.82 0.61 -3.86 2.92 0.31 0.25 -1.07 118.33 119.30 2kfw n VAL 137 Ca -0.03 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 2kfw n VAL 137 Cb 0.48 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.96 -0.29 3.52 0.00 -1.25 -4.61 121.76 115.97 2kfw s ALA 138 Ca -0.12 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2kfw s ALA 138 Cb 0.03 0.82 0.18 0.00 0.00 0.00 0.00 23.12 24.16 2kfw s ALA 138 CO 0.28 -1.00 0.53 0.42 0.00 0.00 0.00 175.76 175.98 2kfw s ILE 139 N -3.44 -0.88 0.26 0.00 1.01 -1.25 -3.50 121.20 113.40 2kfw s ILE 139 Ca 0.14 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.80 2kfw s ILE 139 Cb -0.05 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2kfw s ILE 139 CO 0.09 -0.08 -0.15 -0.60 0.00 0.00 0.00 174.94 174.20 2kfw s ARG 140 N 2.74 1.55 0.16 2.79 6.06 -0.56 -4.88 118.95 126.81 2kfw s ARG 140 Ca 0.12 -1.73 -0.24 0.00 -2.50 0.00 0.00 55.73 51.39 2kfw s ARG 140 Cb -0.12 -1.44 -0.08 0.00 0.06 0.00 0.00 34.95 33.38 2kfw s ARG 140 CO -0.26 0.21 0.74 -2.00 -2.50 0.00 0.00 175.30 171.50 2kfw s GLU 141 N -3.60 4.46 0.44 5.12 2.12 -1.26 0.26 118.70 126.24 2kfw s GLU 141 Ca 0.27 1.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 2kfw s GLU 141 Cb -0.01 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 2kfw s GLU 141 CO 0.12 0.55 0.67 0.00 -0.54 0.00 0.00 175.26 176.06 2kfw s ALA 142 N -1.21 3.68 1.02 6.30 0.00 -0.93 -4.77 121.76 125.84 2kfw s ALA 142 Ca 0.36 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 2kfw s ALA 142 Cb -0.21 -2.21 0.14 0.00 0.00 0.00 0.00 23.12 20.84 2kfw s ALA 142 CO 0.24 -0.32 0.76 2.41 0.00 0.00 0.00 175.76 178.86 2kfw n THR 143 N -2.06 0.00 -0.23 0.00 -1.04 -1.26 -4.68 114.28 105.00 2kfw n THR 143 Ca 0.00 -0.53 -0.04 0.00 -2.04 0.00 0.00 64.05 61.44 2kfw n THR 143 Cb 0.57 -1.62 0.07 0.00 -1.82 0.00 0.00 70.33 67.53 2kfw n THR 143 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kfw h GLU 144 N 0.00 0.79 -0.31 -2.82 4.57 -1.98 -1.28 114.58 113.55 2kfw h GLU 144 Ca -0.25 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.81 2kfw h GLU 144 Cb 0.70 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2kfw h GLU 144 CO 0.18 0.53 -0.08 1.49 -1.18 0.00 0.00 179.01 179.95 2kfw h GLU 145 N 0.82 0.60 -0.49 1.92 4.81 -1.97 -0.71 114.58 119.55 2kfw h GLU 145 Ca 0.27 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2kfw h GLU 145 Cb 0.01 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2kfw h GLU 145 CO -0.10 0.78 0.26 0.93 -0.73 0.00 0.00 179.01 180.15 2kfw h GLU 146 N 0.37 0.50 0.00 1.92 3.07 -1.67 -0.02 114.58 118.75 2kfw h GLU 146 Ca 0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2kfw h GLU 146 Cb 0.56 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2kfw h GLU 146 CO 0.03 0.33 0.00 -0.07 -1.40 0.00 0.00 179.01 177.90 2kfw h LEU 147 N 0.52 0.00 0.25 1.33 4.07 -1.16 0.67 115.31 120.99 2kfw h LEU 147 Ca 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 2kfw h LEU 147 Cb 0.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2kfw h LEU 147 CO -0.13 0.00 -0.16 0.00 -1.08 0.00 0.00 178.44 177.07 2kfw h ALA 148 N 2.15 -0.39 0.00 1.53 0.00 0.60 -3.27 119.26 119.87 2kfw h ALA 148 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kfw h ALA 148 Cb 0.57 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kfw h ALA 148 CO 0.00 -0.73 -0.52 0.72 0.00 0.00 0.00 179.25 178.72 2kfw n HIS 149 N -5.28 0.00 -1.13 0.00 8.25 -1.18 -5.03 115.22 110.85 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 0.20 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 1.26 0.49 3.81 -1.41 0.00 0.21 -5.00 105.19 104.55 2kfw n GLY 150 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2kfw n GLY 150 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kfw s HIS 151 N -2.75 0.11 -0.20 1.61 3.76 0.23 -4.40 115.29 113.64 2kfw s HIS 151 Ca 0.00 -0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2kfw s HIS 151 Cb 0.00 0.83 0.06 0.00 1.11 0.00 0.00 32.58 34.58 2kfw s HIS 151 CO 0.00 -1.55 -0.01 0.08 -0.85 0.00 0.00 174.74 172.41 2kfw s VAL 152 N -2.35 0.98 -0.25 -0.90 1.01 -1.26 -4.30 120.40 113.33 2kfw s VAL 152 Ca 0.15 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2kfw s VAL 152 Cb -0.05 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2kfw s VAL 152 CO 0.11 -0.11 0.37 1.41 0.00 0.00 0.00 175.10 176.88 2kfw n HIS 153 N 4.89 -1.47 0.00 5.22 8.25 -1.26 -4.45 115.22 126.40 2kfw n HIS 153 Ca -0.10 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2kfw n HIS 153 Cb 0.46 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 0.43 1.71 1.76 -1.41 0.00 -1.26 -5.09 105.19 101.33 2kfw n GLY 154 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kfw n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n ALA 155 N 0.00 -2.32 0.25 4.61 0.00 -1.26 -4.33 120.51 117.46 2kfw n ALA 155 Ca 0.00 0.34 0.10 0.00 0.00 0.00 0.00 53.44 53.89 2kfw n ALA 155 Cb 0.00 -1.12 0.66 0.00 0.00 0.00 0.00 19.45 19.00 2kfw n ALA 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kfw h HIS 156 N 3.04 0.00 0.00 0.00 3.86 -1.95 -1.87 115.15 118.23 2kfw h HIS 156 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2kfw h HIS 156 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kfw h HIS 156 CO 0.00 0.14 -0.41 -0.44 0.86 0.00 0.00 177.93 178.08 2kfw h ASP 157 N 0.00 0.00 -3.94 2.45 5.19 -1.97 -3.49 116.42 114.66 2kfw h ASP 157 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kfw h ASP 157 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2kfw h ASP 157 CO 0.02 0.41 -1.00 1.57 -3.12 0.00 0.00 179.24 177.12 2kfw n HIS 158 N -3.25 -4.58 -3.63 4.55 -0.00 -0.71 -5.07 115.22 102.53 2kfw n HIS 158 Ca 0.02 2.46 -0.03 0.00 0.46 0.00 0.00 57.72 60.64 2kfw n HIS 158 Cb 0.66 -3.73 -0.03 0.00 -0.12 0.00 0.00 29.99 26.78 2kfw n HIS 158 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kfw s HIS 159 N -4.70 -0.04 0.62 1.57 -3.43 -1.26 -5.12 115.29 102.93 2kfw s HIS 159 Ca 0.00 0.04 -0.09 0.00 -0.80 0.00 0.00 55.06 54.22 2kfw s HIS 159 Cb 0.00 0.50 0.14 0.00 -1.43 0.00 0.00 32.58 31.79 2kfw s HIS 159 CO 0.00 -0.06 0.31 -2.39 -2.00 0.00 0.00 174.74 170.60 2kfw n HIS 160 N 0.15 -2.19 -3.81 0.38 1.44 -1.26 -5.05 115.22 104.88 2kfw n HIS 160 Ca 0.03 -0.16 -0.10 0.00 -2.01 0.00 0.00 57.72 55.48 2kfw n HIS 160 Cb 0.57 -0.71 0.00 0.00 0.12 0.00 0.00 29.99 29.98 2kfw n HIS 160 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kfw n ASP 161 N -2.41 -1.66 0.00 4.39 8.00 -1.26 -5.19 116.55 118.43 2kfw n ASP 161 Ca 0.05 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.05 2kfw n ASP 161 Cb 0.21 2.86 0.00 0.00 -0.02 0.00 0.00 41.12 44.18 2kfw n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfw n HIS 162 N -0.48 0.00 -3.97 1.24 1.44 -1.26 -5.19 115.22 107.00 2kfw n HIS 162 Ca -0.04 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.56 2kfw n HIS 162 Cb 0.51 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 2kfw n HIS 162 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kfw n ASP 163 N 0.00 -0.87 -3.13 4.39 2.03 -1.26 -5.16 116.55 112.55 2kfw n ASP 163 Ca 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.93 2kfw n ASP 163 Cb 0.00 1.68 0.00 0.00 -0.72 0.00 0.00 41.12 42.08 2kfw n ASP 163 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kfw n HIS 164 N -0.42 -1.58 0.06 -0.67 8.25 -1.26 -5.01 115.22 114.60 2kfw n HIS 164 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kfw n HIS 164 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2kfw n HIS 164 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2kfw n ASP 165 N -2.14 -0.97 0.00 0.41 8.00 -1.26 -5.06 116.55 115.53 2kfw n ASP 165 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2kfw n ASP 165 Cb 0.00 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2kfw n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfw n GLY 166 N -1.02 1.48 3.62 0.44 0.00 -1.26 -4.98 105.19 103.47 2kfw n GLY 166 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 3.38 0.45 0.00 0.00 0.00 -1.26 -5.08 105.19 102.67 2kfw n GLY 169 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.80 2.67 -0.02 0.00 -1.26 -5.11 105.19 102.27 2kfw n GLY 170 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 2kfw n GLY 170 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfw n HIS 171 N 0.00 -0.93 0.00 1.61 -0.00 -1.26 -5.01 115.22 109.63 2kfw n HIS 171 Ca 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 57.72 56.69 2kfw n HIS 171 Cb 0.00 1.28 0.00 0.00 -0.00 0.00 0.00 29.99 31.27 2kfw n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 172 N 0.15 -0.22 3.65 1.57 0.00 -1.26 -5.11 105.19 103.97 2kfw n GLY 172 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2kfw n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kfw s HIS 173 N -0.85 -0.36 0.07 1.61 2.46 -1.26 -5.17 115.29 111.79 2kfw s HIS 173 Ca 0.00 0.75 0.01 0.00 0.47 0.00 0.00 55.06 56.29 2kfw s HIS 173 Cb 0.00 0.29 -0.04 0.00 -0.13 0.00 0.00 32.58 32.70 2kfw s HIS 173 CO 0.00 -0.18 0.20 0.34 -2.47 0.00 0.00 174.74 172.63 2kfw s ASP 174 N 0.89 6.24 -0.01 9.88 -1.08 -1.26 -5.00 116.67 126.32 2kfw s ASP 174 Ca -0.04 0.22 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 2kfw s ASP 174 Cb -0.04 -1.89 -0.24 0.00 -1.46 0.00 0.00 42.92 39.30 2kfw s ASP 174 CO -0.12 0.16 0.56 1.57 0.52 0.00 0.00 175.17 177.86 2kfw n HIS 175 N 0.26 0.00 -3.34 -5.34 -0.00 -1.26 -5.05 115.22 100.48 2kfw n HIS 175 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2kfw n HIS 175 Cb 0.51 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 2kfw n HIS 175 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kfw n GLY 176 N 1.45 1.36 0.41 1.57 0.00 -1.26 -5.06 105.19 103.65 2kfw n GLY 176 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2kfw n GLY 176 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kfw n HIS 177 N 0.00 0.00 -2.63 1.61 1.44 -1.26 -5.10 115.22 109.28 2kfw n HIS 177 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 2kfw n HIS 177 Cb 0.00 0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.13 2kfw n HIS 177 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2kfw s GLU 178 N 0.00 4.75 0.00 -1.40 2.12 -1.26 -5.00 118.70 117.91 2kfw s GLU 178 Ca 0.00 1.63 0.00 0.00 0.36 0.00 0.00 54.97 56.96 2kfw s GLU 178 Cb 0.00 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2kfw s GLU 178 CO 0.00 0.36 0.34 0.72 -0.54 0.00 0.00 175.26 176.14 2kfw n HIS 179 N 1.48 0.00 0.00 5.30 8.25 -1.26 -5.07 115.22 123.91 2kfw n HIS 179 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kfw n HIS 179 Cb 0.46 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2kfw n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kfw n GLY 180 N 0.99 4.46 0.00 -1.41 0.00 -1.26 -5.03 105.19 102.95 2kfw n GLY 180 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kfw n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 181 N -0.85 -3.07 7.00 -0.02 0.00 -1.26 -4.73 105.19 102.26 2kfw n GLY 181 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2kfw n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfw n GLU 182 N -0.73 0.00 -0.03 1.61 1.02 -1.26 -3.75 120.64 117.51 2kfw n GLU 182 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2kfw n GLU 182 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 2kfw n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfw n GLY 183 N 0.00 -0.92 1.67 0.62 0.00 -1.26 -5.10 105.19 100.20 2kfw n GLY 183 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2kfw n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfw n GLY 186 N 0.00 3.11 1.11 0.00 0.00 -1.26 -5.01 105.19 103.14 2kfw n GLY 186 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kfw n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfw n GLY 187 N 0.00 0.00 2.12 -0.02 0.00 -1.26 -4.96 105.19 101.06 2kfw n GLY 187 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kfw n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kfw n LYS 188 N -2.92 -3.91 0.00 1.61 4.01 -1.26 -4.63 118.16 111.05 2kfw n LYS 188 Ca 0.00 -0.97 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 2kfw n LYS 188 Cb 0.43 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 33.69 2kfw n LYS 188 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kfw n GLY 189 N -3.84 1.02 3.69 0.72 0.00 -1.26 -4.99 105.19 100.53 2kfw n GLY 189 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2kfw n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kfw s ASN 190 N -4.00 -0.08 0.28 1.61 3.84 -1.26 -5.15 114.94 110.18 2kfw s ASN 190 Ca 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 52.84 2kfw s ASN 190 Cb 0.00 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.96 2kfw s ASN 190 CO 0.00 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 174.44 2kfw n GLY 191 N -0.52 -1.98 0.94 1.21 0.00 -1.26 -4.02 105.19 99.55 2kfw n GLY 191 Ca -0.07 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.51 1.53 3.49 -0.02 0.00 -1.26 -4.90 105.19 100.52 2kfw n GLY 192 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.54 4.82 3.84 0.00 0.00 -1.26 -4.60 105.19 107.45 2kfw n GLY 194 Ca -0.05 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 2kfw n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32