#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wql n GLN 4 N 0.00 2.14 -4.08 0.00 7.27 -1.26 -4.83 117.38 116.63 2wql n GLN 4 Ca 0.00 0.76 -0.09 0.00 0.07 0.00 0.00 57.00 57.74 2wql n GLN 4 Cb 0.00 -2.43 -0.09 0.00 2.41 0.00 0.00 30.24 30.13 2wql n GLN 4 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wql s SER 5 N 0.27 0.25 -0.07 1.69 1.04 -1.26 -1.04 113.70 114.58 2wql s SER 5 Ca 0.66 -1.07 -0.20 0.00 0.48 0.00 0.00 55.95 55.82 2wql s SER 5 Cb -0.62 0.32 0.04 0.00 0.10 0.00 0.00 66.02 65.87 2wql s SER 5 CO 0.51 -0.75 0.47 -2.28 0.98 0.00 0.00 173.24 172.16 2wql s HIS 6 N -4.00 -0.42 0.08 5.02 5.04 -0.01 -5.00 115.29 116.00 2wql s HIS 6 Ca 0.19 0.81 0.07 0.00 -1.54 0.00 0.00 55.06 54.59 2wql s HIS 6 Cb 0.06 0.22 -0.03 0.00 0.04 0.00 0.00 32.58 32.87 2wql s HIS 6 CO -0.01 -0.42 -0.17 -1.54 -2.34 0.00 0.00 174.74 170.25 2wql s SER 7 N -0.87 2.10 -0.08 9.88 1.04 -1.26 -0.27 113.70 124.23 2wql s SER 7 Ca -0.09 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.73 2wql s SER 7 Cb -0.03 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.00 2wql s SER 7 CO 0.05 0.01 -0.11 -0.22 0.98 0.00 0.00 173.24 173.96 2wql s LEU 8 N -1.70 1.48 -0.08 2.42 2.96 -0.22 -5.00 118.68 118.54 2wql s LEU 8 Ca 0.03 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2wql s LEU 8 Cb -0.10 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2wql s LEU 8 CO 0.03 -0.03 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.35 2wql s GLU 9 N 1.07 2.84 -0.10 1.98 2.02 -1.26 -0.93 118.70 124.32 2wql s GLU 9 Ca -0.07 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.37 2wql s GLU 9 Cb -0.15 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2wql s GLU 9 CO -0.01 0.60 -0.11 0.42 0.02 0.00 0.00 175.26 176.18 2wql s ILE 10 N -0.64 1.17 0.19 -1.63 1.01 -0.66 -4.97 121.20 115.67 2wql s ILE 10 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 2wql s ILE 10 Cb -0.11 -1.12 -0.07 0.00 0.01 0.00 0.00 42.46 41.17 2wql s ILE 10 CO 0.02 0.38 0.59 -0.89 0.00 0.00 0.00 174.94 175.04 2wql s THR 11 N 1.22 4.81 0.01 2.92 2.01 -1.26 -1.18 115.64 124.17 2wql s THR 11 Ca -0.04 0.83 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 2wql s THR 11 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2wql s THR 11 CO -0.03 0.12 0.18 -0.55 -0.69 0.00 0.00 174.62 173.65 2wql s SER 12 N -1.91 -0.00 0.02 3.53 0.15 -0.28 -4.99 113.70 110.21 2wql s SER 12 Ca 0.42 -0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.14 2wql s SER 12 Cb -0.14 0.24 0.90 0.00 -1.71 0.00 0.00 66.02 65.31 2wql s SER 12 CO 0.20 -0.43 1.70 -1.54 1.20 0.00 0.00 173.24 174.37 2wql n SER 13 N 1.24 0.26 -4.81 5.45 3.41 -1.26 -1.36 113.62 116.55 2wql n SER 13 Ca -0.22 0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2wql n SER 13 Cb 0.56 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 2wql n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wql s VAL 14 N -3.01 4.35 0.75 -3.33 1.01 -1.26 -4.14 120.40 114.77 2wql s VAL 14 Ca 0.12 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 2wql s VAL 14 Cb 0.18 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2wql s VAL 14 CO 0.61 -0.21 1.11 -0.94 0.00 0.00 0.00 175.10 175.67 2wql s SER 15 N -2.05 4.47 0.11 3.32 1.04 -1.24 -2.90 113.70 116.44 2wql s SER 15 Ca 0.59 1.97 -0.21 0.00 0.48 0.00 0.00 55.95 58.78 2wql s SER 15 Cb -0.11 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.36 2wql s SER 15 CO 0.15 -2.06 1.75 0.00 0.98 0.00 0.00 173.24 174.06 2wql h ALA 16 N -0.79 0.11 -0.70 5.32 0.00 -1.84 -1.07 119.26 120.29 2wql h ALA 16 Ca -0.45 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.57 2wql h ALA 16 Cb 1.25 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2wql h ALA 16 CO 0.51 -0.41 0.33 0.93 0.00 0.00 0.00 179.25 180.60 2wql h GLU 17 N 0.10 0.54 -0.13 0.00 5.08 -1.94 -1.23 114.58 117.00 2wql h GLU 17 Ca 0.04 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 2wql h GLU 17 Cb 0.01 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2wql h GLU 17 CO -0.03 0.36 -0.80 -0.22 -1.00 0.00 0.00 179.01 177.31 2wql h LYS 18 N 0.56 0.77 -0.20 2.33 3.64 -1.85 -2.27 116.57 119.55 2wql h LYS 18 Ca 0.35 -0.66 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2wql h LYS 18 Cb 0.40 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2wql h LYS 18 CO -0.29 1.26 0.09 0.82 -2.27 0.00 0.00 179.45 179.06 2wql h ILE 19 N 0.50 1.14 -0.78 2.00 1.08 -0.98 -2.17 117.51 118.30 2wql h ILE 19 Ca -0.06 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2wql h ILE 19 Cb 1.44 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 36.21 2wql h ILE 19 CO 0.17 0.14 0.51 0.15 -0.69 0.00 0.00 178.15 178.43 2wql h PHE 20 N 0.18 0.88 -0.10 1.37 3.57 -1.21 0.09 116.94 121.72 2wql h PHE 20 Ca 0.07 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2wql h PHE 20 Cb 0.14 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2wql h PHE 20 CO -0.02 0.48 -0.44 0.66 -2.23 0.00 0.00 178.31 176.76 2wql h SER 21 N 0.89 0.25 0.09 0.41 4.64 -1.08 -1.45 113.55 117.31 2wql h SER 21 Ca 0.33 -0.11 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 2wql h SER 21 Cb 0.17 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2wql h SER 21 CO -0.11 0.66 -0.86 1.23 -0.87 0.00 0.00 176.83 176.89 2wql h GLY 22 N 1.26 0.47 -0.29 -0.77 0.00 -0.62 0.22 103.07 103.33 2wql h GLY 22 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.34 2wql h GLY 22 CO 0.07 0.88 -0.52 0.29 0.00 0.00 0.00 176.54 177.26 2wql n ILE 23 N -4.07 0.00 0.01 2.60 -5.35 -0.09 -3.53 119.36 108.92 2wql n ILE 23 Ca -0.13 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2wql n ILE 23 Cb 0.82 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 2wql n ILE 23 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2wql n VAL 24 N -0.61 0.12 -0.09 7.28 0.31 -0.57 -4.78 118.33 120.00 2wql n VAL 24 Ca 0.09 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.36 2wql n VAL 24 Cb 0.40 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.57 2wql n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wql h LEU 25 N 0.00 0.36 -3.04 7.52 3.38 -1.42 -3.12 115.31 119.00 2wql h LEU 25 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2wql h LEU 25 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wql h LEU 25 CO 0.00 0.35 0.00 0.47 0.09 0.00 0.00 178.44 179.35 2wql n ASP 26 N -4.82 3.55 -0.34 -0.43 8.00 0.75 -4.73 116.55 118.53 2wql n ASP 26 Ca -0.02 -2.38 0.16 0.00 0.71 0.00 0.00 54.79 53.26 2wql n ASP 26 Cb 0.08 -0.39 0.38 0.00 -0.02 0.00 0.00 41.12 41.17 2wql n ASP 26 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2wql h VAL 27 N 2.36 0.61 -0.12 2.53 3.04 -1.58 -0.72 116.25 122.37 2wql h VAL 27 Ca 0.00 -0.22 -0.08 0.00 -1.01 0.00 0.00 66.70 65.39 2wql h VAL 27 Cb 1.08 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2wql h VAL 27 CO 0.11 0.12 -0.30 0.44 -1.01 0.00 0.00 177.57 176.92 2wql h ASP 28 N 0.63 0.23 0.51 3.17 3.32 -1.85 -1.14 116.42 121.29 2wql h ASP 28 Ca 0.61 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.47 2wql h ASP 28 Cb 1.12 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2wql h ASP 28 CO -0.40 0.54 -1.58 0.35 -1.72 0.00 0.00 179.24 176.42 2wql n THR 29 N -4.12 0.78 -0.02 0.35 -2.24 -0.82 -4.46 114.28 103.75 2wql n THR 29 Ca -0.01 -0.63 -0.16 0.00 -2.27 0.00 0.00 64.05 60.98 2wql n THR 29 Cb 0.40 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 2wql n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wql h VAL 30 N 0.00 1.50 -0.55 2.28 2.07 -0.94 -3.34 116.25 117.26 2wql h VAL 30 Ca -0.13 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.46 2wql h VAL 30 Cb 1.38 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 33.78 2wql h VAL 30 CO 0.02 0.56 0.28 0.40 0.02 0.00 0.00 177.57 178.85 2wql h ILE 31 N -0.34 0.94 -0.00 4.57 2.04 -1.43 0.14 117.51 123.43 2wql h ILE 31 Ca -0.05 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2wql h ILE 31 Cb 1.12 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2wql h ILE 31 CO 0.08 0.10 -0.05 -0.65 0.00 0.00 0.00 178.15 177.63 2wql h PRO 32 N 0.53 0.01 0.09 2.37 0.11 -1.78 0.21 132.00 133.54 2wql h PRO 32 Ca 0.25 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.08 2wql h PRO 32 Cb 0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2wql h PRO 32 CO -0.18 0.05 -1.40 0.87 -0.21 0.00 0.00 178.00 177.14 2wql h LYS 33 N 0.01 0.18 0.10 1.05 1.57 -1.46 -3.36 116.57 114.66 2wql h LYS 33 Ca 0.00 -0.31 -0.29 0.00 -1.87 0.00 0.00 60.65 58.18 2wql h LYS 33 Cb 0.09 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2wql h LYS 33 CO 0.01 1.05 -1.52 0.00 -0.57 0.00 0.00 179.45 178.42 2wql h ALA 34 N 0.65 0.24 -2.44 3.86 0.00 -0.29 -3.41 119.26 117.87 2wql h ALA 34 Ca -0.18 -1.17 -0.60 0.00 0.00 0.00 0.00 54.91 52.96 2wql h ALA 34 Cb 1.96 0.56 -0.41 0.00 0.00 0.00 0.00 17.79 19.90 2wql h ALA 34 CO 0.16 0.91 -0.69 0.00 0.00 0.00 0.00 179.25 179.63 2wql n ALA 35 N -3.04 3.54 -0.33 0.00 0.00 0.71 -4.80 120.51 116.60 2wql n ALA 35 Ca -0.27 -4.36 0.04 0.00 0.00 0.00 0.00 53.44 48.85 2wql n ALA 35 Cb 0.90 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 19.63 2wql n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wql h THR 36 N 3.50 0.94 -0.02 0.00 1.03 -1.71 -2.29 112.91 114.35 2wql h THR 36 Ca 0.17 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2wql h THR 36 Cb 0.74 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.76 2wql h THR 36 CO 0.71 0.17 -0.23 0.61 -0.01 0.00 0.00 175.52 176.76 2wql n GLY 37 N -1.33 0.31 0.22 2.99 0.00 -1.26 -4.65 105.19 101.47 2wql n GLY 37 Ca 0.16 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wql n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql h ALA 38 N 3.74 0.59 -2.83 4.61 0.00 -1.78 -3.41 119.26 120.18 2wql h ALA 38 Ca 0.00 0.16 -0.66 0.00 0.00 0.00 0.00 54.91 54.41 2wql h ALA 38 Cb 0.76 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 2wql h ALA 38 CO 0.00 -0.37 -0.51 0.71 0.00 0.00 0.00 179.25 179.08 2wql s TYR 39 N -6.14 3.49 -0.03 0.00 2.02 -1.26 -4.56 117.35 110.87 2wql s TYR 39 Ca -0.13 0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.76 2wql s TYR 39 Cb 0.17 -1.86 -0.33 0.00 -0.40 0.00 0.00 41.96 39.55 2wql s TYR 39 CO 0.73 0.65 0.90 -0.22 -1.57 0.00 0.00 175.55 176.05 2wql h LYS 40 N 4.47 0.38 -2.75 -0.62 3.64 -0.75 -3.47 116.57 117.47 2wql h LYS 40 Ca -0.52 -0.65 -0.00 0.00 -1.27 0.00 0.00 60.65 58.21 2wql h LYS 40 Cb 1.20 0.24 -0.13 0.00 -0.41 0.00 0.00 32.23 33.13 2wql h LYS 40 CO 0.62 1.31 0.26 -1.54 -2.27 0.00 0.00 179.45 177.83 2wql s SER 41 N -7.20 -0.55 -0.05 4.20 1.04 -0.99 -5.01 113.70 105.14 2wql s SER 41 Ca -0.13 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2wql s SER 41 Cb 0.02 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.73 2wql s SER 41 CO 0.87 -0.86 0.06 -0.69 0.98 0.00 0.00 173.24 173.59 2wql s VAL 42 N -3.32 -0.09 -0.26 5.02 1.01 -1.26 -1.82 120.40 119.68 2wql s VAL 42 Ca 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 2wql s VAL 42 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2wql s VAL 42 CO -0.10 0.16 0.29 -1.61 0.00 0.00 0.00 175.10 173.85 2wql s GLU 43 N 2.16 4.02 -0.25 2.72 2.02 -0.40 -4.96 118.70 124.01 2wql s GLU 43 Ca 0.05 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 2wql s GLU 43 Cb -0.12 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 2wql s GLU 43 CO -0.03 -0.19 0.02 0.08 0.02 0.00 0.00 175.26 175.16 2wql s VAL 44 N 1.80 3.83 -0.46 2.63 1.01 -1.26 -0.78 120.40 127.17 2wql s VAL 44 Ca 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2wql s VAL 44 Cb -0.16 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.53 2wql s VAL 44 CO 0.09 0.32 0.27 -0.54 0.00 0.00 0.00 175.10 175.25 2wql s LYS 45 N 1.53 2.17 0.00 2.72 1.02 -0.16 -5.01 119.74 122.01 2wql s LYS 45 Ca 0.05 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.11 2wql s LYS 45 Cb -0.15 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2wql s LYS 45 CO 0.00 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 2wql n GLY 46 N 4.45 1.57 0.77 -3.33 0.00 -1.26 -1.71 105.19 105.68 2wql n GLY 46 Ca -0.01 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.96 2wql n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 47 N 0.00 2.38 0.00 1.61 5.68 -1.26 -4.92 116.55 120.04 2wql n ASP 47 Ca 0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 2wql n ASP 47 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2wql n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 48 N 1.28 2.79 0.80 6.12 0.00 -1.26 -5.08 105.19 109.84 2wql n GLY 48 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2wql n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 49 N -1.31 -0.28 3.61 -0.02 0.00 -1.26 -4.87 105.19 101.05 2wql n GLY 49 Ca 0.00 -1.82 -0.45 0.00 0.00 0.00 0.00 46.02 43.75 2wql n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql n ALA 50 N -3.08 -0.03 0.00 4.61 0.00 -1.26 -1.93 120.51 118.82 2wql n ALA 50 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2wql n ALA 50 Cb 0.12 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2wql n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wql n GLY 51 N 1.37 2.79 3.77 0.00 0.00 0.14 -4.99 105.19 108.27 2wql n GLY 51 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2wql n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wql s THR 52 N -2.41 2.26 -0.08 2.61 2.01 -0.81 -4.77 115.64 114.45 2wql s THR 52 Ca 0.00 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2wql s THR 52 Cb 0.00 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.36 2wql s THR 52 CO 0.00 0.06 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.20 2wql s VAL 53 N -0.97 1.04 -0.16 3.82 1.01 -0.69 -0.41 120.40 124.04 2wql s VAL 53 Ca 0.53 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2wql s VAL 53 Cb -0.45 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2wql s VAL 53 CO 0.58 0.34 -0.12 -0.13 0.00 0.00 0.00 175.10 175.78 2wql s ARG 54 N 0.98 3.34 -0.42 2.72 0.52 -0.08 -0.99 118.95 125.02 2wql s ARG 54 Ca -0.09 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 2wql s ARG 54 Cb -0.15 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.64 2wql s ARG 54 CO 0.00 0.06 0.30 0.42 0.02 0.00 0.00 175.30 176.11 2wql s ILE 55 N 0.74 5.04 -0.11 1.52 1.01 0.04 -1.06 121.20 128.37 2wql s ILE 55 Ca -0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2wql s ILE 55 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2wql s ILE 55 CO 0.02 -0.38 -0.01 -0.63 0.00 0.00 0.00 174.94 173.93 2wql s ILE 56 N 1.63 4.18 -0.10 2.92 1.01 0.20 -1.27 121.20 129.76 2wql s ILE 56 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2wql s ILE 56 Cb -0.21 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2wql s ILE 56 CO 0.08 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.54 2wql s THR 57 N -0.39 1.45 0.43 2.92 2.01 -0.76 -1.42 115.64 119.89 2wql s THR 57 Ca 0.07 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2wql s THR 57 Cb -0.12 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.07 2wql s THR 57 CO 0.02 0.43 0.62 -0.76 -0.69 0.00 0.00 174.62 174.24 2wql s LEU 58 N 0.94 3.66 0.91 4.42 1.02 0.05 -0.12 118.68 129.57 2wql s LEU 58 Ca -0.08 -0.07 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 2wql s LEU 58 Cb -0.15 -2.87 0.11 0.00 0.02 0.00 0.00 46.19 43.30 2wql s LEU 58 CO -0.01 -0.74 0.95 -2.65 0.02 0.00 0.00 176.35 173.93 2wql n PRO 59 N -1.97 -0.35 -0.19 1.29 -0.02 -1.26 -4.66 135.00 127.85 2wql n PRO 59 Ca 0.04 -0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 2wql n PRO 59 Cb 0.59 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.88 2wql n PRO 59 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wql h GLU 60 N -1.70 0.01 0.00 -0.52 5.08 -1.98 -2.36 114.58 113.12 2wql h GLU 60 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2wql h GLU 60 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2wql h GLU 60 CO 0.40 0.01 0.00 0.78 -1.00 0.00 0.00 179.01 179.19 2wql h GLY 61 N 0.01 0.00 -2.69 -3.84 0.00 -1.98 -3.48 103.07 91.09 2wql h GLY 61 Ca 0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.04 2wql h GLY 61 CO -0.58 0.00 -0.02 1.44 0.00 0.00 0.00 176.54 177.38 2wql n SER 62 N -2.73 0.22 -0.35 0.19 7.64 -0.89 -4.90 113.62 112.80 2wql n SER 62 Ca 0.03 0.76 -0.02 0.00 1.01 0.00 0.00 58.87 60.66 2wql n SER 62 Cb 0.40 -1.33 0.13 0.00 -1.01 0.00 0.00 64.21 62.40 2wql n SER 62 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wql h PRO 63 N 0.31 1.27 -5.03 1.43 0.11 -1.93 -3.37 132.00 124.80 2wql h PRO 63 Ca -0.48 -0.08 -0.65 0.00 0.11 0.00 0.00 66.00 64.90 2wql h PRO 63 Cb 1.37 -0.28 -0.26 0.00 0.11 0.00 0.00 31.00 31.94 2wql h PRO 63 CO 0.49 0.84 -0.69 0.42 -0.21 0.00 0.00 178.00 178.85 2wql s ILE 64 N -6.06 3.67 -0.15 4.15 1.01 -1.26 -4.97 121.20 117.59 2wql s ILE 64 Ca -0.13 -0.40 0.19 0.00 0.00 0.00 0.00 60.65 60.31 2wql s ILE 64 Cb 0.18 -2.68 -0.27 0.00 0.01 0.00 0.00 42.46 39.71 2wql s ILE 64 CO 0.81 0.41 0.18 0.35 0.00 0.00 0.00 174.94 176.69 2wql n THR 65 N 4.65 0.99 -3.83 2.92 -2.24 -1.26 -4.64 114.28 110.88 2wql n THR 65 Ca -0.18 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 2wql n THR 65 Cb 0.51 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.27 2wql n THR 65 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wql s THR 66 N -2.75 -0.01 -0.08 4.28 -4.23 -1.26 -0.77 115.64 110.82 2wql s THR 66 Ca -0.09 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.34 2wql s THR 66 Cb 0.08 -0.14 0.02 0.00 1.34 0.00 0.00 72.50 73.81 2wql s THR 66 CO 0.83 0.01 0.27 0.00 -0.54 0.00 0.00 174.62 175.19 2wql s MET 67 N 0.17 0.39 -0.18 3.99 0.00 -0.51 -2.29 119.30 120.87 2wql s MET 67 Ca -0.01 0.23 -0.02 0.00 0.00 0.00 0.00 55.69 55.89 2wql s MET 67 Cb -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 34.83 34.99 2wql s MET 67 CO -0.00 -0.07 -0.10 0.99 0.00 0.00 0.00 175.02 175.84 2wql s THR 68 N -0.20 3.03 -0.12 3.16 2.01 -0.45 -0.63 115.64 122.45 2wql s THR 68 Ca -0.03 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2wql s THR 68 Cb -0.03 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.16 2wql s THR 68 CO 0.01 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 2wql s VAL 69 N 1.06 1.79 -0.16 3.82 1.01 -0.23 -1.16 120.40 126.53 2wql s VAL 69 Ca -0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2wql s VAL 69 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2wql s VAL 69 CO -0.02 0.50 0.08 -0.60 0.00 0.00 0.00 175.10 175.06 2wql s ARG 70 N 0.78 3.78 -0.16 2.72 3.52 0.44 -0.90 118.95 129.12 2wql s ARG 70 Ca -0.10 -0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 2wql s ARG 70 Cb -0.16 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 2wql s ARG 70 CO 0.01 0.43 0.91 0.99 -0.81 0.00 0.00 175.30 176.82 2wql s THR 71 N -0.06 4.83 -0.13 4.11 2.01 0.45 -0.61 115.64 126.22 2wql s THR 71 Ca 0.07 1.80 0.11 0.00 0.31 0.00 0.00 61.69 63.98 2wql s THR 71 Cb -0.12 -4.21 -0.23 0.00 0.01 0.00 0.00 72.50 67.95 2wql s THR 71 CO 0.01 -0.01 0.31 0.47 -0.69 0.00 0.00 174.62 174.71 2wql n ASP 72 N 5.33 0.87 -3.62 3.53 8.00 0.35 -0.68 116.55 130.33 2wql n ASP 72 Ca 0.07 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 2wql n ASP 72 Cb 0.48 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.67 2wql n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 73 N -2.55 -1.91 -0.04 2.24 0.00 -0.95 -4.71 121.76 113.85 2wql s ALA 73 Ca -0.13 1.83 0.03 0.00 0.00 0.00 0.00 51.96 53.70 2wql s ALA 73 Cb 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2wql s ALA 73 CO 0.79 -0.28 -0.13 0.08 0.00 0.00 0.00 175.76 176.23 2wql s VAL 74 N -0.02 1.10 -0.32 0.00 1.01 -1.26 -1.32 120.40 119.59 2wql s VAL 74 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2wql s VAL 74 Cb -0.04 -0.97 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2wql s VAL 74 CO -0.02 0.33 0.08 0.21 0.00 0.00 0.00 175.10 175.70 2wql s ASN 75 N 0.20 4.24 0.24 3.32 3.84 -0.55 -4.98 114.94 121.25 2wql s ASN 75 Ca -0.05 -1.78 -0.04 0.00 0.21 0.00 0.00 52.86 51.20 2wql s ASN 75 Cb -0.11 -1.08 0.27 0.00 -0.55 0.00 0.00 41.25 39.78 2wql s ASN 75 CO 0.02 -0.40 1.76 0.11 -2.79 0.00 0.00 177.10 175.79 2wql h LYS 76 N 7.95 0.94 0.09 0.43 1.57 -1.98 -0.94 116.57 124.64 2wql h LYS 76 Ca -0.11 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 58.19 2wql h LYS 76 Cb 1.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2wql h LYS 76 CO 0.48 0.87 -1.15 0.93 -0.57 0.00 0.00 179.45 180.01 2wql h GLU 77 N 0.89 0.26 0.00 3.15 4.39 -1.96 -3.26 114.58 118.05 2wql h GLU 77 Ca 0.18 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2wql h GLU 77 Cb 0.38 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2wql h GLU 77 CO 0.01 1.16 -0.21 0.00 -1.16 0.00 0.00 179.01 178.81 2wql n ALA 78 N -2.51 2.77 -3.59 3.43 0.00 -1.15 -4.96 120.51 114.50 2wql n ALA 78 Ca -0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 2wql n ALA 78 Cb 0.98 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 19.16 2wql n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wql n LEU 79 N -1.62 -3.50 -4.40 0.00 4.77 -0.39 -4.68 117.00 107.17 2wql n LEU 79 Ca 0.06 -0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 55.10 2wql n LEU 79 Cb 0.35 -2.95 -0.13 0.00 -2.33 0.00 0.00 43.42 38.37 2wql n LEU 79 CO 0.31 0.48 -0.55 -0.94 -1.33 0.00 0.00 177.39 175.35 2wql s SER 80 N -3.93 3.38 -0.09 -1.43 1.04 -1.03 -1.37 113.70 110.27 2wql s SER 80 Ca 0.25 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 2wql s SER 80 Cb -0.12 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.80 2wql s SER 80 CO 0.76 0.16 0.21 -0.47 0.98 0.00 0.00 173.24 174.87 2wql s TYR 81 N -1.26 -0.27 -0.09 5.02 5.04 -0.05 -1.48 117.35 124.26 2wql s TYR 81 Ca 0.16 0.68 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 2wql s TYR 81 Cb -0.09 -0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.20 2wql s TYR 81 CO 0.07 -0.21 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.33 2wql s ASP 82 N 1.30 3.18 0.09 4.32 1.01 -0.43 -0.02 116.67 126.11 2wql s ASP 82 Ca -0.09 -0.52 -0.14 0.00 0.71 0.00 0.00 52.55 52.51 2wql s ASP 82 Cb -0.11 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.59 2wql s ASP 82 CO -0.08 0.19 0.34 -0.94 0.21 0.00 0.00 175.17 174.89 2wql s SER 83 N 0.18 -0.14 -0.05 0.27 1.04 -0.82 -0.49 113.70 113.68 2wql s SER 83 Ca -0.13 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2wql s SER 83 Cb -0.17 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2wql s SER 83 CO 0.07 -0.74 -0.11 -0.89 0.98 0.00 0.00 173.24 172.55 2wql s THR 84 N -3.32 1.00 -0.23 2.02 2.01 0.21 -0.29 115.64 117.05 2wql s THR 84 Ca 0.00 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.32 2wql s THR 84 Cb 0.01 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2wql s THR 84 CO -0.08 0.32 0.83 -0.69 -0.69 0.00 0.00 174.62 174.31 2wql s VAL 85 N 0.46 4.84 -0.06 3.82 1.01 -0.16 -0.42 120.40 129.89 2wql s VAL 85 Ca -0.09 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.49 2wql s VAL 85 Cb -0.13 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2wql s VAL 85 CO 0.02 -0.05 0.06 2.30 0.00 0.00 0.00 175.10 177.42 2wql n ILE 86 N 5.14 0.00 -3.68 2.22 -5.35 -0.31 -1.74 119.36 115.64 2wql n ILE 86 Ca 0.05 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 2wql n ILE 86 Cb 0.48 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2wql n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wql s ASP 87 N -1.10 -0.36 0.00 7.28 2.15 -1.22 -4.92 116.67 118.49 2wql s ASP 87 Ca 0.00 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.61 2wql s ASP 87 Cb 0.01 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 2wql s ASP 87 CO 0.05 -1.14 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 2wql n GLY 88 N -0.40 2.69 0.00 2.66 0.00 -1.26 -1.33 105.19 107.55 2wql n GLY 88 Ca -0.10 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 43.95 2wql n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 89 N 0.00 0.02 0.12 1.61 5.68 -0.97 -1.80 116.55 121.20 2wql n ASP 89 Ca 0.00 0.50 0.17 0.00 -0.50 0.00 0.00 54.79 54.96 2wql n ASP 89 Cb 0.00 -0.51 0.72 0.00 -1.14 0.00 0.00 41.12 40.19 2wql n ASP 89 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wql h ILE 90 N 0.00 0.70 0.00 2.12 2.10 -1.85 -1.02 117.51 119.56 2wql h ILE 90 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wql h ILE 90 Cb 0.26 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 2wql h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2wql n LEU 91 N -4.23 0.00 0.00 2.19 4.77 -0.74 -5.00 117.00 113.99 2wql n LEU 91 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wql n LEU 91 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2wql n LEU 91 CO 0.33 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.57 2wql n LEU 92 N -0.94 0.00 0.04 2.23 4.77 -0.39 -1.64 117.00 121.07 2wql n LEU 92 Ca 0.19 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2wql n LEU 92 Cb 0.09 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 2wql n LEU 92 CO 0.14 0.00 0.48 0.61 -1.33 0.00 0.00 177.39 177.29 2wql n GLY 93 N 0.00 -1.39 0.00 -0.72 0.00 -1.26 -4.69 105.19 97.12 2wql n GLY 93 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2wql n GLY 93 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wql n PHE 94 N -1.87 0.00 -2.76 1.61 1.16 -1.07 -5.04 117.46 109.50 2wql n PHE 94 Ca 0.04 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.20 2wql n PHE 94 Cb 0.40 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.24 2wql n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wql s ILE 95 N 0.00 4.76 0.02 1.97 1.01 -0.65 -3.09 121.20 125.22 2wql s ILE 95 Ca 0.00 1.85 -0.22 0.00 0.00 0.00 0.00 60.65 62.28 2wql s ILE 95 Cb 0.00 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 38.07 2wql s ILE 95 CO 0.00 -0.10 1.29 -0.33 0.00 0.00 0.00 174.94 175.80 2wql h GLU 96 N 7.45 0.27 -2.11 2.79 5.08 -0.58 -3.46 114.58 124.02 2wql h GLU 96 Ca -0.23 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2wql h GLU 96 Cb 1.09 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.17 2wql h GLU 96 CO 0.91 0.72 0.30 -1.54 -1.00 0.00 0.00 179.01 178.41 2wql s SER 97 N -6.08 -0.55 -0.38 1.42 1.04 -1.12 -4.81 113.70 103.22 2wql s SER 97 Ca -0.15 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 2wql s SER 97 Cb 0.04 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.73 2wql s SER 97 CO 0.74 -0.62 0.16 -0.63 0.98 0.00 0.00 173.24 173.87 2wql s ILE 98 N -1.82 3.42 -0.17 -1.02 1.01 -0.71 -1.20 121.20 120.71 2wql s ILE 98 Ca -0.05 -1.73 -0.22 0.00 0.00 0.00 0.00 60.65 58.65 2wql s ILE 98 Cb -0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2wql s ILE 98 CO 0.02 -0.50 0.68 -0.70 0.00 0.00 0.00 174.94 174.45 2wql s GLU 99 N 1.23 4.27 0.09 2.79 2.12 -0.17 -0.99 118.70 128.04 2wql s GLU 99 Ca 0.04 0.75 0.08 0.00 0.36 0.00 0.00 54.97 56.19 2wql s GLU 99 Cb -0.22 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2wql s GLU 99 CO -0.02 -0.21 -0.21 0.95 -0.54 0.00 0.00 175.26 175.22 2wql s THR 100 N 1.79 1.75 -0.06 -1.70 -4.23 0.61 -0.04 115.64 113.76 2wql s THR 100 Ca 0.32 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2wql s THR 100 Cb -0.16 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.13 2wql s THR 100 CO 0.12 0.03 0.01 -1.00 -0.54 0.00 0.00 174.62 173.24 2wql s HIS 101 N -1.05 0.48 -0.00 3.99 3.76 -0.02 -1.95 115.29 120.49 2wql s HIS 101 Ca 0.07 -0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.02 2wql s HIS 101 Cb -0.10 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2wql s HIS 101 CO 0.04 -0.27 -0.24 1.41 -0.85 0.00 0.00 174.74 174.83 2wql s MET 102 N 1.86 1.86 -0.00 1.40 1.75 0.97 -1.04 119.30 126.11 2wql s MET 102 Ca 0.03 -0.90 0.01 0.00 -1.25 0.00 0.00 55.69 53.57 2wql s MET 102 Cb -0.12 -1.85 0.00 0.00 2.84 0.00 0.00 34.83 35.69 2wql s MET 102 CO -0.04 0.50 -0.02 0.54 -0.65 0.00 0.00 175.02 175.35 2wql s VAL 103 N -0.62 0.15 -0.27 10.11 0.11 -0.51 -0.87 120.40 128.50 2wql s VAL 103 Ca 0.09 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 2wql s VAL 103 Cb -0.09 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 2wql s VAL 103 CO -0.00 0.05 0.09 -0.69 -3.33 0.00 0.00 175.10 171.21 2wql s VAL 104 N 0.03 4.33 -0.03 2.04 1.01 -0.47 -0.57 120.40 126.75 2wql s VAL 104 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2wql s VAL 104 Cb -0.02 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2wql s VAL 104 CO -0.00 0.25 -0.15 0.68 0.00 0.00 0.00 175.10 175.88 2wql s VAL 105 N 1.60 2.98 0.64 2.92 -7.23 0.13 -4.81 120.40 116.63 2wql s VAL 105 Ca 0.06 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 2wql s VAL 105 Cb -0.16 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 2wql s VAL 105 CO 0.04 0.53 1.05 -2.16 -0.31 0.00 0.00 175.10 174.25 2wql s PRO 106 N -0.89 3.24 0.14 4.82 0.04 -1.26 -1.11 135.00 139.98 2wql s PRO 106 Ca 0.12 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.27 2wql s PRO 106 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2wql s PRO 106 CO 0.02 -0.86 -0.25 0.99 0.04 0.00 0.00 177.00 176.94 2wql s THR 107 N -2.83 2.16 0.48 1.26 2.01 -0.51 -4.81 115.64 113.41 2wql s THR 107 Ca 0.59 -1.80 0.29 0.00 0.31 0.00 0.00 61.69 61.08 2wql s THR 107 Cb -0.14 -1.95 0.48 0.00 0.01 0.00 0.00 72.50 70.91 2wql s THR 107 CO 0.47 -0.01 1.79 0.00 -0.69 0.00 0.00 174.62 176.18 2wql h ALA 108 N 3.71 2.74 0.00 7.40 0.00 -1.98 0.19 119.26 131.31 2wql h ALA 108 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wql h ALA 108 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wql h ALA 108 CO 0.42 -1.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.16 2wql n ASP 109 N -4.38 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 111.72 2wql n ASP 109 Ca 0.25 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 2wql n ASP 109 Cb 1.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 2wql n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 110 N 0.85 0.75 0.00 6.12 0.00 0.05 -5.05 105.19 107.92 2wql n GLY 110 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2wql n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 111 N -2.16 1.52 3.34 -0.02 0.00 -1.25 -3.71 105.19 102.90 2wql n GLY 111 Ca 0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2wql n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wql s SER 112 N -1.00 -0.24 -0.11 1.61 1.04 -0.46 -1.42 113.70 113.12 2wql s SER 112 Ca 0.00 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2wql s SER 112 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2wql s SER 112 CO 0.00 -0.88 -0.21 -0.63 0.98 0.00 0.00 173.24 172.50 2wql s ILE 113 N -3.81 1.92 -0.40 -1.02 1.01 -0.27 -1.13 121.20 117.50 2wql s ILE 113 Ca 0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 2wql s ILE 113 Cb 0.02 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2wql s ILE 113 CO -0.11 0.52 0.29 -0.89 0.00 0.00 0.00 174.94 174.76 2wql s THR 114 N 0.64 5.26 -0.29 2.92 2.01 -0.32 -0.69 115.64 125.17 2wql s THR 114 Ca -0.12 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 2wql s THR 114 Cb -0.16 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2wql s THR 114 CO 0.03 -0.25 0.12 -0.54 -0.69 0.00 0.00 174.62 173.29 2wql s LYS 115 N 1.70 3.38 -0.08 4.92 1.02 0.27 -1.65 119.74 129.30 2wql s LYS 115 Ca 0.05 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.39 2wql s LYS 115 Cb -0.19 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 2wql s LYS 115 CO 0.10 -0.36 -0.15 0.99 -0.92 0.00 0.00 175.35 175.01 2wql s THR 116 N 1.60 2.99 -0.15 2.17 2.01 -0.11 -1.43 115.64 122.71 2wql s THR 116 Ca 0.05 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 2wql s THR 116 Cb -0.17 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2wql s THR 116 CO 0.05 0.56 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.52 2wql s THR 117 N -0.27 2.82 -0.11 -0.82 2.01 -0.20 -1.06 115.64 118.01 2wql s THR 117 Ca 0.02 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 2wql s THR 117 Cb -0.13 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2wql s THR 117 CO 0.03 0.51 -0.08 0.00 -0.69 0.00 0.00 174.62 174.39 2wql s ALA 118 N 0.76 2.87 -0.17 7.40 0.00 0.62 -0.84 121.76 132.40 2wql s ALA 118 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2wql s ALA 118 Cb -0.15 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2wql s ALA 118 CO 0.01 0.39 -0.16 0.42 0.00 0.00 0.00 175.76 176.42 2wql s ILE 119 N -0.18 1.81 -0.36 0.00 1.01 0.94 -0.83 121.20 123.58 2wql s ILE 119 Ca 0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 2wql s ILE 119 Cb -0.13 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 2wql s ILE 119 CO 0.03 0.46 0.46 -0.36 0.00 0.00 0.00 174.94 175.53 2wql s PHE 120 N 1.38 3.18 -0.33 3.97 0.40 -0.21 -1.00 117.98 125.38 2wql s PHE 120 Ca 0.04 0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.23 2wql s PHE 120 Cb -0.13 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 2wql s PHE 120 CO -0.11 -0.54 0.48 -1.01 0.70 0.00 0.00 175.22 174.74 2wql s HIS 121 N 2.26 3.20 0.23 0.36 3.76 -0.34 -4.00 115.29 120.75 2wql s HIS 121 Ca 0.16 0.22 0.10 0.00 -0.15 0.00 0.00 55.06 55.39 2wql s HIS 121 Cb -0.16 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.64 2wql s HIS 121 CO 0.13 -0.48 -0.19 0.95 -0.85 0.00 0.00 174.74 174.30 2wql s THR 122 N 2.31 2.16 -0.07 1.30 -4.23 -1.26 0.19 115.64 116.04 2wql s THR 122 Ca 0.18 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.18 2wql s THR 122 Cb -0.16 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2wql s THR 122 CO 0.12 -0.38 1.22 -0.54 -0.54 0.00 0.00 174.62 174.50 2wql s LYS 123 N -3.27 4.33 5.03 3.99 1.02 -1.18 -4.84 119.74 124.82 2wql s LYS 123 Ca 0.24 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.92 2wql s LYS 123 Cb -0.05 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2wql s LYS 123 CO 0.11 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 2wql n GLY 124 N 3.42 1.79 1.25 -3.33 0.00 -1.26 -3.18 105.19 103.88 2wql n GLY 124 Ca 0.11 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.57 2wql n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wql n ASP 125 N 1.77 3.60 -4.72 1.61 8.00 -1.26 -4.99 116.55 120.56 2wql n ASP 125 Ca 0.00 -2.46 -0.42 0.00 0.71 0.00 0.00 54.79 52.63 2wql n ASP 125 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 2wql n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 126 N -1.94 3.68 -0.13 2.24 0.00 -1.19 -4.99 121.76 119.43 2wql s ALA 126 Ca 0.33 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 2wql s ALA 126 Cb 0.23 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2wql s ALA 126 CO 0.12 -0.70 0.03 0.08 0.00 0.00 0.00 175.76 175.29 2wql s VAL 127 N 1.01 4.53 -0.22 0.00 1.01 -1.26 -4.79 120.40 120.68 2wql s VAL 127 Ca 0.67 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 2wql s VAL 127 Cb -0.40 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2wql s VAL 127 CO 0.32 0.55 1.02 -0.69 0.00 0.00 0.00 175.10 176.29 2wql s VAL 128 N -0.36 4.71 0.61 2.92 1.01 -1.26 -5.01 120.40 123.02 2wql s VAL 128 Ca 0.08 1.99 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 2wql s VAL 128 Cb -0.12 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2wql s VAL 128 CO 0.02 -0.15 1.18 -2.84 0.00 0.00 0.00 175.10 173.31 2wql s PRO 129 N 3.05 2.91 0.37 2.72 0.02 -1.26 -4.91 135.00 137.90 2wql s PRO 129 Ca 0.44 1.74 0.06 0.00 0.02 0.00 0.00 61.00 63.26 2wql s PRO 129 Cb -0.15 -1.93 0.77 0.00 0.02 0.00 0.00 34.50 33.21 2wql s PRO 129 CO 0.07 -1.23 1.98 1.49 -0.33 0.00 0.00 177.00 178.98 2wql h GLU 130 N 0.69 0.69 -0.56 5.54 4.57 -2.00 -2.26 114.58 121.25 2wql h GLU 130 Ca -0.50 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 2wql h GLU 130 Cb 1.29 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2wql h GLU 130 CO 0.55 0.46 0.29 1.05 -1.18 0.00 0.00 179.01 180.17 2wql h GLU 131 N 0.71 0.77 -0.04 1.92 4.11 -1.99 -0.93 114.58 119.13 2wql h GLU 131 Ca 0.28 -0.08 -0.16 0.00 0.07 0.00 0.00 59.36 59.47 2wql h GLU 131 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2wql h GLU 131 CO -0.08 0.58 -0.69 -0.91 0.07 0.00 0.00 179.01 177.97 2wql h ASN 132 N 0.77 0.23 -0.17 3.06 4.21 -1.78 -2.11 115.58 119.80 2wql h ASN 132 Ca 0.20 -0.15 -0.13 0.00 1.21 0.00 0.00 56.30 57.43 2wql h ASN 132 Cb 0.05 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2wql h ASN 132 CO -0.03 0.85 -0.39 0.40 -1.29 0.00 0.00 177.43 176.97 2wql h ILE 133 N 0.14 1.34 -0.88 2.81 2.04 -1.36 -2.48 117.51 119.12 2wql h ILE 133 Ca -0.02 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2wql h ILE 133 Cb 1.23 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 2wql h ILE 133 CO 0.10 0.50 0.56 0.11 0.00 0.00 0.00 178.15 179.43 2wql h LYS 134 N 0.22 1.16 0.02 2.37 1.57 -1.16 -1.56 116.57 119.20 2wql h LYS 134 Ca 0.00 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wql h LYS 134 Cb 1.00 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wql h LYS 134 CO 0.09 0.79 -0.01 0.35 -0.57 0.00 0.00 179.45 180.09 2wql h PHE 135 N 1.19 -0.03 -0.65 -1.35 3.57 -1.35 -1.49 116.94 116.85 2wql h PHE 135 Ca 0.32 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.87 2wql h PHE 135 Cb -0.11 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 2wql h PHE 135 CO 0.00 -0.01 0.36 0.00 -2.23 0.00 0.00 178.31 176.43 2wql h ALA 136 N 0.94 0.86 -0.63 2.41 0.00 -1.14 -1.60 119.26 120.09 2wql h ALA 136 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wql h ALA 136 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wql h ALA 136 CO 0.01 0.04 0.38 -0.44 0.00 0.00 0.00 179.25 179.24 2wql h ASP 137 N 0.67 0.76 -0.33 0.00 3.32 -1.06 -0.14 116.42 119.63 2wql h ASP 137 Ca 0.29 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2wql h ASP 137 Cb 0.16 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2wql h ASP 137 CO -0.17 0.60 0.15 0.00 -1.72 0.00 0.00 179.24 178.09 2wql h ALA 138 N 1.19 0.43 -0.14 3.45 0.00 -0.83 -1.37 119.26 122.00 2wql h ALA 138 Ca 0.23 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2wql h ALA 138 Cb -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wql h ALA 138 CO -0.04 0.01 -0.67 0.37 0.00 0.00 0.00 179.25 178.92 2wql h GLN 139 N 0.40 0.56 -0.34 0.00 4.15 -1.04 -0.15 115.11 118.70 2wql h GLN 139 Ca 0.11 -0.42 -0.12 0.00 0.77 0.00 0.00 58.65 59.00 2wql h GLN 139 Cb 0.15 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2wql h GLN 139 CO -0.01 1.04 -0.29 -0.91 -1.93 0.00 0.00 178.83 176.73 2wql h ASN 140 N 0.40 0.72 -0.34 -0.69 2.35 -1.00 -2.03 115.58 115.00 2wql h ASN 140 Ca -0.02 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2wql h ASN 140 Cb 1.25 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 2wql h ASN 140 CO 0.13 0.97 -0.24 0.74 -1.65 0.00 0.00 177.43 177.38 2wql h THR 141 N 0.60 1.29 -0.45 2.81 2.02 -1.06 -0.73 112.91 117.39 2wql h THR 141 Ca 0.07 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 65.95 2wql h THR 141 Cb 0.79 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 2wql h THR 141 CO 0.07 0.45 0.08 0.00 0.37 0.00 0.00 175.52 176.48 2wql h ALA 142 N 0.76 0.49 -0.26 6.16 0.00 -0.89 -0.31 119.26 125.20 2wql h ALA 142 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2wql h ALA 142 Cb 0.79 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wql h ALA 142 CO 0.06 -0.32 -0.22 1.25 0.00 0.00 0.00 179.25 180.02 2wql h LEU 143 N 0.21 0.64 -0.47 0.00 5.85 -1.30 -1.84 115.31 118.41 2wql h LEU 143 Ca 0.22 -0.46 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2wql h LEU 143 Cb 0.29 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 2wql h LEU 143 CO -0.30 0.97 -0.11 0.15 -0.34 0.00 0.00 178.44 178.81 2wql h PHE 144 N 0.33 -0.23 -0.03 1.25 3.57 -0.74 -1.89 116.94 119.20 2wql h PHE 144 Ca 0.05 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 2wql h PHE 144 Cb 0.77 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2wql h PHE 144 CO 0.07 -0.19 -0.62 0.87 -2.23 0.00 0.00 178.31 176.20 2wql h LYS 145 N 0.01 0.11 -0.63 1.11 1.79 -0.96 0.93 116.57 118.94 2wql h LYS 145 Ca 0.23 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2wql h LYS 145 Cb 0.34 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2wql h LYS 145 CO -0.47 0.70 0.34 0.00 -1.08 0.00 0.00 179.45 178.93 2wql h ALA 146 N 1.28 0.80 -0.31 3.86 0.00 -0.94 -1.22 119.26 122.73 2wql h ALA 146 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2wql h ALA 146 Cb 1.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2wql h ALA 146 CO 0.09 0.33 0.01 0.82 0.00 0.00 0.00 179.25 180.50 2wql h ILE 147 N 0.85 1.25 -0.74 0.00 2.04 -0.90 -2.39 117.51 117.63 2wql h ILE 147 Ca 0.22 -0.91 0.13 0.00 1.00 0.00 0.00 64.86 65.30 2wql h ILE 147 Cb 0.06 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 2wql h ILE 147 CO -0.03 0.30 0.31 -0.08 0.00 0.00 0.00 178.15 178.65 2wql h GLU 148 N 0.35 0.47 -0.27 2.37 4.81 -0.65 -0.16 114.58 121.49 2wql h GLU 148 Ca 0.09 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2wql h GLU 148 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2wql h GLU 148 CO 0.01 0.31 0.13 0.00 -0.73 0.00 0.00 179.01 178.73 2wql h ALA 149 N 1.52 0.32 -0.73 2.92 0.00 -0.98 -1.24 119.26 121.07 2wql h ALA 149 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2wql h ALA 149 Cb 0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2wql h ALA 149 CO -0.37 -0.27 0.46 -0.92 0.00 0.00 0.00 179.25 178.15 2wql h TYR 150 N 0.27 0.95 -0.70 0.00 3.20 -0.77 -2.59 116.97 117.32 2wql h TYR 150 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2wql h TYR 150 Cb 0.04 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2wql h TYR 150 CO -0.10 0.62 0.27 -0.07 -1.64 0.00 0.00 178.16 177.25 2wql h LEU 151 N 0.99 0.96 -1.23 2.82 3.38 -0.67 -0.93 115.31 120.63 2wql h LEU 151 Ca 0.26 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2wql h LEU 151 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2wql h LEU 151 CO -0.05 0.86 -0.32 0.40 0.09 0.00 0.00 178.44 179.41 2wql h ILE 152 N 1.02 1.25 0.00 1.22 2.04 -0.93 -3.12 117.51 118.99 2wql h ILE 152 Ca 0.24 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2wql h ILE 152 Cb 0.21 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2wql h ILE 152 CO -0.02 0.35 -0.97 0.00 0.00 0.00 0.00 178.15 177.51 2wql h ALA 153 N 1.58 0.50 0.00 1.87 0.00 -1.10 -3.52 119.26 118.60 2wql h ALA 153 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wql h ALA 153 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wql h ALA 153 CO 0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39