#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 0.00 -3.31 -1.84 3.41 -1.26 -5.08 113.62 105.53 2a3s n SER 2 Ca 0.00 -0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.13 2a3s n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2a3s n SER 2 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2a3s n LYS 3 N 0.00 2.18 0.12 4.33 5.02 -1.26 -4.90 118.16 123.65 2a3s n LYS 3 Ca 0.00 -4.35 -0.02 0.00 -2.02 0.00 0.00 58.31 51.92 2a3s n LYS 3 Cb 0.00 -2.02 0.11 0.00 -0.02 0.00 0.00 35.03 33.10 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2a3s h PRO 4 N 3.97 0.00 0.00 1.97 0.13 -2.01 -3.40 132.00 132.66 2a3s h PRO 4 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2a3s h PRO 4 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2a3s h PRO 4 CO 0.75 0.68 0.00 -0.35 -0.23 0.00 0.00 178.00 178.85 2a3s n PRO 5 N -3.65 0.00 -2.54 1.56 -0.04 -1.26 -4.81 135.00 124.26 2a3s n PRO 5 Ca -0.01 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 2a3s n PRO 5 Cb 0.69 -0.89 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 2a3s n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a3s s TYR 6 N -0.94 3.65 0.52 0.54 2.02 -1.26 -4.64 117.35 117.24 2a3s s TYR 6 Ca 0.00 1.68 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 2a3s s TYR 6 Cb 0.00 -3.23 0.10 0.00 -0.40 0.00 0.00 41.96 38.43 2a3s s TYR 6 CO 0.00 -0.42 0.72 0.43 -1.57 0.00 0.00 175.55 174.71 2a3s n SER 7 N 1.95 1.29 -3.14 2.29 7.64 -1.26 -4.88 113.62 117.50 2a3s n SER 7 Ca 0.01 -2.01 -0.40 0.00 1.01 0.00 0.00 58.87 57.48 2a3s n SER 7 Cb 0.46 -0.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.25 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2a3s n TYR 8 N -2.31 2.84 0.00 1.43 4.02 -1.26 -2.69 117.16 119.19 2a3s n TYR 8 Ca 0.13 -2.39 0.00 0.00 -0.01 0.00 0.00 57.90 55.63 2a3s n TYR 8 Cb 0.46 -1.22 0.00 0.00 -0.02 0.00 0.00 39.34 38.56 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a3s n ALA 9 N -0.26 0.00 0.02 -0.72 0.00 -1.26 -4.87 120.51 113.42 2a3s n ALA 9 Ca 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 2a3s n ALA 9 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 2a3s n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2a3s h GLN 10 N 0.00 0.00 -0.86 0.00 -0.00 -1.92 -2.84 115.11 109.49 2a3s h GLN 10 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.79 2a3s h GLN 10 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 2a3s h GLN 10 CO 0.00 0.47 0.56 1.25 -0.00 0.00 0.00 178.83 181.10 2a3s h LEU 11 N 0.00 0.60 0.18 0.06 5.85 -1.85 0.97 115.31 121.11 2a3s h LEU 11 Ca -0.19 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2a3s h LEU 11 Cb 1.78 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2a3s h LEU 11 CO 0.07 0.31 -0.08 0.40 -0.34 0.00 0.00 178.44 178.79 2a3s h ILE 12 N 0.63 0.70 -0.06 4.05 1.08 -1.80 -0.78 117.51 121.33 2a3s h ILE 12 Ca 0.43 -1.10 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2a3s h ILE 12 Cb 0.73 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.62 2a3s h ILE 12 CO -0.18 0.19 -0.43 0.58 -0.69 0.00 0.00 178.15 177.62 2a3s h VAL 13 N -0.92 0.14 -0.11 1.67 2.07 -0.97 1.34 116.25 119.46 2a3s h VAL 13 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2a3s h VAL 13 Cb 0.49 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2a3s h VAL 13 CO 0.04 0.00 0.09 0.06 0.02 0.00 0.00 177.57 177.78 2a3s h GLN 14 N -0.55 0.00 0.09 1.57 -0.00 0.82 2.09 115.11 119.13 2a3s h GLN 14 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2a3s h GLN 14 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.13 2a3s h GLN 14 CO -0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 178.83 178.43 2a3s h ALA 15 N 1.93 -0.12 0.00 0.06 0.00 0.18 -3.15 119.26 118.16 2a3s h ALA 15 Ca 0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2a3s h ALA 15 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2a3s h ALA 15 CO -0.00 -0.28 -0.92 0.82 0.00 0.00 0.00 179.25 178.86 2a3s h ILE 16 N -0.68 1.30 -0.87 0.00 2.04 0.20 -3.20 117.51 116.29 2a3s h ILE 16 Ca -0.01 -2.89 0.09 0.00 1.00 0.00 0.00 64.86 63.05 2a3s h ILE 16 Cb 0.55 2.63 -0.07 0.00 -0.74 0.00 0.00 36.82 39.18 2a3s h ILE 16 CO 0.02 0.74 0.52 0.77 0.00 0.00 0.00 178.15 180.20 2a3s h SER 17 N 0.00 0.78 -0.14 1.72 4.64 0.33 0.15 113.55 121.03 2a3s h SER 17 Ca -0.04 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3s h SER 17 Cb 1.65 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2a3s h SER 17 CO 0.10 0.46 0.00 -1.20 -0.87 0.00 0.00 176.83 175.32 2a3s n SER 18 N -4.68 1.47 -4.73 4.97 7.64 -1.19 -4.91 113.62 112.19 2a3s n SER 18 Ca 0.14 -1.66 -0.30 0.00 1.01 0.00 0.00 58.87 58.07 2a3s n SER 18 Cb 0.26 -0.09 0.13 0.00 -1.01 0.00 0.00 64.21 63.50 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3s s ALA 19 N -1.83 1.68 0.00 -0.43 0.00 0.51 -4.95 121.76 116.75 2a3s s ALA 19 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2a3s s ALA 19 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2a3s s ALA 19 CO 0.26 -2.24 0.66 1.04 0.00 0.00 0.00 175.76 175.48 2a3s n GLN 20 N -3.81 0.00 0.00 0.00 1.13 -1.26 -4.38 117.38 109.06 2a3s n GLN 20 Ca 0.07 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 2a3s n GLN 20 Cb 0.55 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.74 2a3s n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2a3s n ASP 21 N -1.50 0.00 0.00 1.08 2.03 -1.26 -5.00 116.55 111.90 2a3s n ASP 21 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2a3s n ASP 21 Cb 0.00 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2a3s n ASP 21 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2a3s n ARG 22 N -1.73 0.00 -3.95 -0.67 0.63 -1.26 -4.98 116.66 104.70 2a3s n ARG 22 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2a3s n ARG 22 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2a3s s GLN 23 N 0.00 0.16 0.02 -0.14 -2.07 -1.26 -2.93 119.66 113.43 2a3s s GLN 23 Ca 0.00 -0.02 0.03 0.00 -1.82 0.00 0.00 55.36 53.55 2a3s s GLN 23 Cb 0.00 -0.21 -0.01 0.00 -1.09 0.00 0.00 33.01 31.70 2a3s s GLN 23 CO 0.00 -0.01 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.36 2a3s s LEU 24 N 0.22 2.11 0.57 2.60 1.43 0.49 -4.84 118.68 121.26 2a3s s LEU 24 Ca -0.02 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 2a3s s LEU 24 Cb -0.04 -0.40 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 2a3s s LEU 24 CO -0.01 0.01 1.01 0.42 0.23 0.00 0.00 176.35 178.02 2a3s s THR 25 N -0.61 4.57 0.28 5.49 -4.23 -1.26 -0.27 115.64 119.60 2a3s s THR 25 Ca -0.00 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 2a3s s THR 25 Cb -0.06 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.28 2a3s s THR 25 CO 0.00 -0.89 1.75 -0.07 -0.54 0.00 0.00 174.62 174.87 2a3s h LEU 26 N 0.32 0.52 -0.68 4.79 -0.00 -1.93 2.16 115.31 120.48 2a3s h LEU 26 Ca -0.45 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2a3s h LEU 26 Cb 1.19 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2a3s h LEU 26 CO 0.61 0.17 0.00 -0.24 -0.00 0.00 0.00 178.44 178.98 2a3s n SER 27 N -4.90 0.94 -0.13 -0.43 2.88 -1.26 -3.48 113.62 107.23 2a3s n SER 27 Ca 0.19 -2.03 -0.26 0.00 -1.33 0.00 0.00 58.87 55.45 2a3s n SER 27 Cb 0.52 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a3s n GLY 28 N 0.60 -0.41 0.37 0.46 0.00 0.72 -3.56 105.19 103.37 2a3s n GLY 28 Ca 0.05 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.08 2a3s n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a3s h ILE 29 N -0.66 0.81 0.03 -0.61 2.10 -1.30 0.47 117.51 118.35 2a3s h ILE 29 Ca -0.65 -0.07 -0.00 0.00 1.08 0.00 0.00 64.86 65.22 2a3s h ILE 29 Cb 1.69 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 2a3s h ILE 29 CO -0.31 0.04 -0.02 1.88 -1.08 0.00 0.00 178.15 178.66 2a3s h TYR 30 N 0.20 -0.04 0.00 2.19 0.05 -1.74 -2.56 116.97 115.07 2a3s h TYR 30 Ca 0.27 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2a3s h TYR 30 Cb 0.80 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.55 2a3s h TYR 30 CO -0.00 0.51 0.00 0.00 -1.05 0.00 0.00 178.16 177.62 2a3s n ALA 31 N -2.42 1.31 0.01 3.88 0.00 -0.23 -0.60 120.51 122.45 2a3s n ALA 31 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2a3s n ALA 31 Cb 0.29 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 2a3s n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2a3s h HIS 32 N 0.00 -0.03 -0.35 0.00 -0.00 0.26 -3.18 115.15 111.85 2a3s h HIS 32 Ca 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2a3s h HIS 32 Cb 0.15 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2a3s h HIS 32 CO 0.00 -0.02 -0.28 -0.84 -0.00 0.00 0.00 177.93 176.79 2a3s h ILE 33 N -0.17 1.29 0.00 6.26 -0.00 -1.47 -2.52 117.51 120.90 2a3s h ILE 33 Ca -0.00 -1.44 0.00 0.00 -0.00 0.00 0.00 64.86 63.41 2a3s h ILE 33 Cb 0.02 1.43 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 2a3s h ILE 33 CO 0.01 0.47 0.07 0.35 -0.00 0.00 0.00 178.15 179.05 2a3s n THR 34 N -4.20 0.98 0.09 0.16 -2.24 0.23 0.29 114.28 109.59 2a3s n THR 34 Ca -0.03 0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 62.27 2a3s n THR 34 Cb 0.48 -1.73 -0.15 0.00 -2.10 0.00 0.00 70.33 66.83 2a3s n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2a3s h LYS 35 N 0.00 0.38 -0.00 -0.78 3.64 -1.42 -3.37 116.57 115.02 2a3s h LYS 35 Ca 0.00 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2a3s h LYS 35 Cb 0.15 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2a3s h LYS 35 CO 0.00 1.28 -0.60 0.72 -2.27 0.00 0.00 179.45 178.58 2a3s n HIS 36 N -3.57 0.00 -3.77 1.91 8.25 -0.14 -4.89 115.22 113.00 2a3s n HIS 36 Ca -0.20 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.89 2a3s n HIS 36 Cb 1.07 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.05 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2a3s s TYR 37 N -2.21 3.15 0.03 4.41 1.51 0.83 -4.95 117.35 120.12 2a3s s TYR 37 Ca 0.06 -1.04 0.13 0.00 -1.01 0.00 0.00 57.07 55.21 2a3s s TYR 37 Cb 0.10 -2.24 0.12 0.00 -0.11 0.00 0.00 41.96 39.83 2a3s s TYR 37 CO 0.53 -0.60 1.46 -1.00 -1.11 0.00 0.00 175.55 174.84 2a3s h PRO 38 N 8.22 0.00 -0.45 -1.71 0.13 -1.85 -3.20 132.00 133.14 2a3s h PRO 38 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2a3s h PRO 38 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2a3s h PRO 38 CO 0.60 0.64 0.22 -0.92 -0.23 0.00 0.00 178.00 178.31 2a3s h TYR 39 N 0.00 0.62 -0.34 1.56 5.03 -1.95 -0.18 116.97 121.71 2a3s h TYR 39 Ca -0.01 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2a3s h TYR 39 Cb 1.39 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2a3s h TYR 39 CO 0.00 0.46 0.00 0.66 -1.32 0.00 0.00 178.16 177.96 2a3s n TYR 40 N -4.39 0.86 -0.08 -3.82 4.01 -1.21 -3.83 117.16 108.70 2a3s n TYR 40 Ca 0.03 -0.33 -0.16 0.00 -0.16 0.00 0.00 57.90 57.28 2a3s n TYR 40 Cb 0.12 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 38.91 2a3s n TYR 40 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2a3s n ARG 41 N 0.46 0.42 -1.21 -0.72 0.00 -0.09 -4.58 116.66 110.93 2a3s n ARG 41 Ca 0.14 0.18 -0.29 0.00 -0.00 0.00 0.00 57.85 57.87 2a3s n ARG 41 Cb 0.58 -1.22 0.09 0.00 0.00 0.00 0.00 32.46 31.90 2a3s n ARG 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2a3s n THR 42 N -4.05 3.37 -2.69 5.15 5.66 -1.15 -4.48 114.28 116.10 2a3s n THR 42 Ca -0.28 -2.50 -0.05 0.00 -3.05 0.00 0.00 64.05 58.17 2a3s n THR 42 Cb 0.63 -1.09 0.09 0.00 -1.55 0.00 0.00 70.33 68.41 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a3s n ALA 43 N -0.70 -2.66 -1.55 1.79 0.00 -1.25 -5.08 120.51 111.06 2a3s n ALA 43 Ca 0.56 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 2a3s n ALA 43 Cb 0.79 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2a3s n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2a3s n ASP 44 N 1.01 2.22 -2.62 0.00 5.75 -1.26 -4.73 116.55 116.91 2a3s n ASP 44 Ca 0.01 -0.71 -0.09 0.00 -0.01 0.00 0.00 54.79 53.99 2a3s n ASP 44 Cb 0.71 -1.60 0.06 0.00 -1.03 0.00 0.00 41.12 39.26 2a3s n ASP 44 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2a3s n LYS 45 N 8.97 -0.70 -0.94 0.11 4.76 -1.26 -4.90 118.16 124.20 2a3s n LYS 45 Ca 0.39 -0.58 -0.19 0.00 -2.87 0.00 0.00 58.31 55.06 2a3s n LYS 45 Cb 0.53 -0.42 0.04 0.00 -1.84 0.00 0.00 35.03 33.34 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a3s n GLY 46 N 1.92 4.30 1.64 0.72 0.00 -1.26 -4.31 105.19 108.20 2a3s n GLY 46 Ca 0.05 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.92 2a3s n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a3s n TRP 47 N 0.20 1.64 -0.05 1.61 4.27 -1.26 -4.07 117.44 119.77 2a3s n TRP 47 Ca 0.34 -0.61 -0.01 0.00 -3.89 0.00 0.00 57.50 53.33 2a3s n TRP 47 Cb 0.59 -0.34 -0.01 0.00 -1.36 0.00 0.00 31.31 30.20 2a3s n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2a3s h GLN 48 N 3.84 0.00 0.00 -2.67 1.08 -1.99 -3.09 115.11 112.28 2a3s h GLN 48 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2a3s h GLN 48 Cb 1.59 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.01 2a3s h GLN 48 CO 0.32 0.04 -0.44 -0.91 -0.95 0.00 0.00 178.83 176.90 2a3s h ASN 49 N -1.00 0.00 0.60 1.46 4.21 -1.95 -3.23 115.58 115.67 2a3s h ASN 49 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2a3s h ASN 49 Cb 0.07 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2a3s h ASN 49 CO -0.00 0.44 -0.33 0.28 -1.29 0.00 0.00 177.43 176.52 2a3s h SER 50 N 0.00 -0.82 -0.24 5.81 0.02 -1.71 -0.77 113.55 115.85 2a3s h SER 50 Ca -0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2a3s h SER 50 Cb 0.97 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2a3s h SER 50 CO 0.06 -0.54 -0.22 0.40 -1.14 0.00 0.00 176.83 175.39 2a3s h ILE 51 N -0.87 0.00 -1.11 3.27 5.03 -1.55 1.52 117.51 123.79 2a3s h ILE 51 Ca -0.08 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 64.98 2a3s h ILE 51 Cb 0.69 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.43 2a3s h ILE 51 CO 0.10 0.00 0.79 0.08 -0.68 0.00 0.00 178.15 178.45 2a3s h ARG 52 N -0.10 0.03 -0.06 2.37 0.11 -1.63 0.77 114.38 115.88 2a3s h ARG 52 Ca 0.04 -0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.90 2a3s h ARG 52 Cb 0.20 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.29 2a3s h ARG 52 CO -0.27 0.02 -0.82 1.25 0.10 0.00 0.00 179.97 180.25 2a3s h HIS 53 N 0.04 0.94 0.00 4.08 2.76 0.31 -3.06 115.15 120.21 2a3s h HIS 53 Ca 0.54 -0.47 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2a3s h HIS 53 Cb 2.08 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 30.92 2a3s h HIS 53 CO -0.00 1.30 -0.16 -0.91 -1.30 0.00 0.00 177.93 176.85 2a3s h ASN 54 N 0.31 0.00 0.56 3.26 2.35 0.79 -1.21 115.58 121.65 2a3s h ASN 54 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2a3s h ASN 54 Cb 1.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.85 2a3s h ASN 54 CO 0.16 0.16 0.00 -0.07 -1.65 0.00 0.00 177.43 176.04 2a3s h LEU 55 N 0.00 0.00 0.00 1.61 3.38 -0.82 -1.37 115.31 118.11 2a3s h LEU 55 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2a3s h LEU 55 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2a3s h LEU 55 CO 0.02 0.00 -0.15 -1.28 0.09 0.00 0.00 178.44 177.12 2a3s h SER 56 N 0.00 0.00 0.06 -0.43 0.87 -1.28 -3.38 113.55 109.39 2a3s h SER 56 Ca 0.00 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2a3s h SER 56 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2a3s h SER 56 CO 0.00 0.96 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.16 2a3s h LEU 57 N -1.00 -0.07 -9.22 2.23 4.07 -1.57 -3.44 115.31 106.31 2a3s h LEU 57 Ca -0.04 -0.41 -0.66 0.00 0.08 0.00 0.00 57.88 56.86 2a3s h LEU 57 Cb 0.84 0.02 0.10 0.00 1.08 0.00 0.00 40.66 42.70 2a3s h LEU 57 CO -0.02 0.39 -0.08 0.59 -1.08 0.00 0.00 178.44 178.23 2a3s n ASN 58 N -4.91 0.25 0.00 -0.43 3.02 -0.53 -4.87 115.26 107.79 2a3s n ASN 58 Ca -0.08 1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 55.58 2a3s n ASN 58 Cb 0.24 -1.11 -0.11 0.00 -0.61 0.00 0.00 39.78 38.19 2a3s n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2a3s n ARG 59 N 1.15 0.63 0.20 3.52 3.00 -1.26 -4.10 116.66 119.81 2a3s n ARG 59 Ca 0.15 0.22 0.09 0.00 -0.00 0.00 0.00 57.85 58.32 2a3s n ARG 59 Cb 0.25 -1.77 0.21 0.00 0.00 0.00 0.00 32.46 31.15 2a3s n ARG 59 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 2a3s h TYR 60 N 0.00 0.00 -3.36 -0.14 -0.00 -1.95 -3.44 116.97 108.07 2a3s h TYR 60 Ca -0.23 0.00 -0.56 0.00 0.00 0.00 0.00 58.73 57.93 2a3s h TYR 60 Cb 1.78 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 38.46 2a3s h TYR 60 CO 0.00 0.17 0.12 -0.06 -0.00 0.00 0.00 178.16 178.39 2a3s s PHE 61 N -3.23 3.56 0.37 0.10 0.08 -1.26 0.27 117.98 117.87 2a3s s PHE 61 Ca 0.05 1.25 0.08 0.00 0.12 0.00 0.00 56.93 58.44 2a3s s PHE 61 Cb 0.07 -2.83 -0.07 0.00 -0.57 0.00 0.00 43.02 39.62 2a3s s PHE 61 CO 0.68 0.05 -0.05 0.96 -0.10 0.00 0.00 175.22 176.76 2a3s s ILE 62 N 0.94 2.10 -0.20 0.64 -4.36 0.51 -4.91 121.20 115.92 2a3s s ILE 62 Ca 0.38 -2.12 -0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2a3s s ILE 62 Cb -0.18 -2.77 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 2a3s s ILE 62 CO 0.18 -0.13 -0.01 -1.59 0.24 0.00 0.00 174.94 173.64 2a3s s LYS 63 N -3.66 3.57 0.13 0.37 -2.85 -1.26 -2.00 119.74 114.04 2a3s s LYS 63 Ca 0.33 -0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 54.62 2a3s s LYS 63 Cb 0.05 -3.07 -0.01 0.00 -2.06 0.00 0.00 37.83 32.75 2a3s s LYS 63 CO 0.17 -0.03 1.59 0.28 0.10 0.00 0.00 175.35 177.45 2a3s h VAL 64 N 5.45 1.26 -1.11 1.79 2.07 -1.74 -3.45 116.25 120.53 2a3s h VAL 64 Ca -0.37 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2a3s h VAL 64 Cb 1.18 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2a3s h VAL 64 CO 0.60 0.35 0.00 -0.81 0.02 0.00 0.00 177.57 177.73 2a3s n PRO 65 N -4.41 0.80 -0.64 1.57 -0.04 -1.26 -5.02 135.00 126.00 2a3s n PRO 65 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2a3s n PRO 65 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2a3s n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a3s n ARG 66 N -0.19 2.23 -0.00 0.54 1.74 -1.22 -5.04 116.66 114.72 2a3s n ARG 66 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2a3s n ARG 66 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 2a3s n ARG 66 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2a3s n SER 67 N -1.28 0.82 0.09 0.55 3.41 -1.26 -4.78 113.62 111.16 2a3s n SER 67 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2a3s n SER 67 Cb 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2a3s n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3s n GLN 68 N -2.96 0.00 -1.46 4.33 3.00 -1.26 -5.09 117.38 113.94 2a3s n GLN 68 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.55 2a3s n GLN 68 Cb 0.97 -0.26 0.13 0.00 0.00 0.00 0.00 30.24 31.08 2a3s n GLN 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2a3s s GLU 69 N -2.00 1.31 -0.30 -1.09 -6.30 -1.26 -5.06 118.70 104.00 2a3s s GLU 69 Ca 0.00 0.46 -0.02 0.00 -2.50 0.00 0.00 54.97 52.91 2a3s s GLU 69 Cb 0.00 -1.84 0.19 0.00 0.00 0.00 0.00 34.13 32.48 2a3s s GLU 69 CO 0.00 -2.12 0.73 -1.83 0.02 0.00 0.00 175.26 172.06 2a3s s GLU 70 N -5.18 0.45 0.00 4.30 4.04 -1.26 -3.39 118.70 117.67 2a3s s GLU 70 Ca 0.63 0.65 0.27 0.00 0.04 0.00 0.00 54.97 56.56 2a3s s GLU 70 Cb -0.15 0.34 1.50 0.00 0.02 0.00 0.00 34.13 35.83 2a3s s GLU 70 CO 0.54 -0.64 1.95 -0.35 -1.84 0.00 0.00 175.26 174.93 2a3s n PRO 71 N 5.40 0.62 -0.54 -4.83 -0.04 -1.26 -4.80 135.00 129.54 2a3s n PRO 71 Ca 0.01 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2a3s n PRO 71 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2a3s n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a3s n GLY 72 N 0.86 1.79 0.30 0.55 0.00 -1.26 -4.98 105.19 102.45 2a3s n GLY 72 Ca 0.17 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 2a3s n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3s h LYS 73 N 0.00 0.78 0.00 1.61 1.57 -2.05 -3.47 116.57 115.01 2a3s h LYS 73 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2a3s h LYS 73 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2a3s h LYS 73 CO 0.00 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 180.00 2a3s n GLY 74 N -0.87 -1.69 3.57 3.86 0.00 -1.26 -5.13 105.19 103.67 2a3s n GLY 74 Ca 0.03 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.51 2a3s n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a3s s SER 75 N 2.00 3.20 -0.31 1.61 0.01 -1.26 -4.85 113.70 114.10 2a3s s SER 75 Ca 0.00 -1.46 -0.12 0.00 1.31 0.00 0.00 55.95 55.68 2a3s s SER 75 Cb 0.00 0.00 0.19 0.00 0.21 0.00 0.00 66.02 66.42 2a3s s SER 75 CO 0.00 -0.65 1.09 0.12 0.41 0.00 0.00 173.24 174.22 2a3s s PHE 76 N -3.03 -0.26 0.74 2.43 2.19 -1.26 -4.77 117.98 114.02 2a3s s PHE 76 Ca 0.29 0.07 -0.12 0.00 0.33 0.00 0.00 56.93 57.51 2a3s s PHE 76 Cb 0.07 0.05 0.03 0.00 -1.31 0.00 0.00 43.02 41.86 2a3s s PHE 76 CO 0.14 -0.17 1.11 -1.58 1.83 0.00 0.00 175.22 176.56 2a3s s TRP 77 N 2.26 3.20 0.32 10.12 0.52 0.62 -2.05 118.94 133.93 2a3s s TRP 77 Ca 0.19 1.00 -0.19 0.00 0.02 0.00 0.00 56.10 57.12 2a3s s TRP 77 Cb 0.02 -3.16 0.04 0.00 -1.15 0.00 0.00 33.47 29.23 2a3s s TRP 77 CO -0.18 -1.36 0.78 -0.98 0.02 0.00 0.00 176.95 175.23 2a3s s ARG 78 N -5.38 1.95 0.23 4.98 1.70 -0.85 0.19 118.95 121.77 2a3s s ARG 78 Ca 0.59 -1.18 0.11 0.00 -0.47 0.00 0.00 55.73 54.79 2a3s s ARG 78 Cb -0.11 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 2a3s s ARG 78 CO 0.52 -0.90 -0.21 -1.50 -1.08 0.00 0.00 175.30 172.12 2a3s s ILE 79 N -3.06 2.33 0.57 4.99 2.07 -1.15 -0.36 121.20 126.59 2a3s s ILE 79 Ca 0.14 -2.19 -0.21 0.00 -1.41 0.00 0.00 60.65 56.97 2a3s s ILE 79 Cb -0.05 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.33 2a3s s ILE 79 CO 0.09 -0.28 1.34 0.47 -1.91 0.00 0.00 174.94 174.64 2a3s n ASP 80 N -0.14 2.50 -0.05 4.50 8.00 0.76 -4.84 116.55 127.28 2a3s n ASP 80 Ca -0.09 0.94 -0.00 0.00 0.71 0.00 0.00 54.79 56.35 2a3s n ASP 80 Cb 0.58 -1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2a3s h PRO 81 N 1.19 0.00 -0.85 -0.24 0.13 -1.98 -1.87 132.00 128.38 2a3s h PRO 81 Ca -0.51 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 2a3s h PRO 81 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2a3s h PRO 81 CO 0.56 0.00 0.57 0.00 -0.23 0.00 0.00 178.00 178.90 2a3s h ALA 82 N -1.03 2.28 -0.00 -0.56 0.00 -2.01 0.78 119.26 118.73 2a3s h ALA 82 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a3s h ALA 82 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2a3s h ALA 82 CO 0.00 -0.53 -0.46 0.43 0.00 0.00 0.00 179.25 178.69 2a3s n SER 83 N -4.47 0.65 0.39 0.00 7.64 -1.26 -4.26 113.62 112.32 2a3s n SER 83 Ca 0.18 -0.44 -0.19 0.00 1.01 0.00 0.00 58.87 59.43 2a3s n SER 83 Cb 0.69 0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 2a3s n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2a3s h GLU 84 N 0.30 -1.07 -0.13 1.43 4.57 0.15 0.62 114.58 120.46 2a3s h GLU 84 Ca 0.00 0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2a3s h GLU 84 Cb 0.50 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2a3s h GLU 84 CO 0.00 -0.71 0.43 0.00 -1.18 0.00 0.00 179.01 177.55 2a3s h ALA 85 N -0.96 1.61 0.00 2.92 0.00 -1.74 -0.85 119.26 120.24 2a3s h ALA 85 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a3s h ALA 85 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2a3s h ALA 85 CO 0.07 -0.49 -0.21 -0.22 0.00 0.00 0.00 179.25 178.40 2a3s h LYS 86 N 0.00 0.00 0.16 0.00 3.11 -1.10 -3.31 116.57 115.43 2a3s h LYS 86 Ca 0.06 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.91 2a3s h LYS 86 Cb 0.92 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.10 2a3s h LYS 86 CO -0.00 0.00 -0.49 1.37 -2.81 0.00 0.00 179.45 177.52 2a3s h LEU 87 N -0.79 -1.47 -1.50 5.20 -0.00 0.71 -0.57 115.31 116.90 2a3s h LEU 87 Ca 0.00 0.15 0.48 0.00 -0.00 0.00 0.00 57.88 58.51 2a3s h LEU 87 Cb 0.21 0.53 -0.13 0.00 -0.00 0.00 0.00 40.66 41.27 2a3s h LEU 87 CO 0.00 -0.54 0.97 -0.37 -0.00 0.00 0.00 178.44 178.50 2a3s h VAL 88 N -0.74 0.03 -0.51 0.15 -1.51 -1.39 2.07 116.25 114.36 2a3s h VAL 88 Ca -0.01 -0.01 0.15 0.00 -1.23 0.00 0.00 66.70 65.60 2a3s h VAL 88 Cb 0.73 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 2a3s h VAL 88 CO -0.24 0.00 0.43 -0.33 -1.23 0.00 0.00 177.57 176.20 2a3s h GLU 89 N 0.02 0.00 0.00 5.19 5.08 -1.18 1.00 114.58 124.69 2a3s h GLU 89 Ca 0.88 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.21 2a3s h GLU 89 Cb 2.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.18 2a3s h GLU 89 CO -0.38 0.00 -1.13 1.04 -1.00 0.00 0.00 179.01 177.54 2a3s n GLN 90 N -4.06 0.61 0.06 2.33 6.02 0.70 -3.95 117.38 119.09 2a3s n GLN 90 Ca 0.09 0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 2a3s n GLN 90 Cb 0.64 -1.81 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3s h ALA 91 N 1.91 -0.12 -0.02 -1.58 0.00 0.14 -2.50 119.26 117.08 2a3s h ALA 91 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a3s h ALA 91 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2a3s h ALA 91 CO 0.01 -0.46 0.00 1.19 0.00 0.00 0.00 179.25 179.99 2a3s n PHE 92 N -5.04 0.06 1.11 0.00 3.72 -0.84 -3.34 117.46 113.12 2a3s n PHE 92 Ca -0.08 -0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2a3s n PHE 92 Cb 0.16 -0.06 0.24 0.00 -0.94 0.00 0.00 39.48 38.87 2a3s n PHE 92 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2a3s n ARG 93 N -0.19 0.56 -1.05 -1.08 1.74 -0.94 -4.15 116.66 111.55 2a3s n ARG 93 Ca 0.01 -0.37 0.03 0.00 -0.77 0.00 0.00 57.85 56.75 2a3s n ARG 93 Cb 0.16 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 2a3s n ARG 93 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2a3s n LYS 94 N -0.90 0.16 -4.66 5.56 0.00 -1.21 -5.07 118.16 112.03 2a3s n LYS 94 Ca 0.09 -1.78 -0.23 0.00 -0.00 0.00 0.00 58.31 56.39 2a3s n LYS 94 Cb 0.36 -0.34 -0.15 0.00 -0.00 0.00 0.00 35.03 34.91 2a3s n LYS 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2a3s s ARG 95 N -0.33 1.24 -0.02 -1.58 0.52 -1.26 -4.03 118.95 113.49 2a3s s ARG 95 Ca 0.23 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 2a3s s ARG 95 Cb 0.25 -1.23 0.10 0.00 0.52 0.00 0.00 34.95 34.60 2a3s s ARG 95 CO -0.10 0.33 0.99 0.50 0.02 0.00 0.00 175.30 177.04 2a3s s ARG 96 N -0.63 0.75 -0.26 3.54 6.06 -1.26 -4.97 118.95 122.18 2a3s s ARG 96 Ca 0.05 -0.32 0.22 0.00 -2.50 0.00 0.00 55.73 53.19 2a3s s ARG 96 Cb -0.07 0.32 0.51 0.00 0.06 0.00 0.00 34.95 35.77 2a3s s ARG 96 CO 0.00 -0.33 1.11 1.04 -2.50 0.00 0.00 175.30 174.62 2a3s n GLN 97 N -0.26 1.78 -1.98 5.12 6.02 -1.26 -4.84 117.38 121.96 2a3s n GLN 97 Ca -0.07 -3.52 0.02 0.00 -0.01 0.00 0.00 57.00 53.43 2a3s n GLN 97 Cb 0.61 -1.62 0.03 0.00 1.02 0.00 0.00 30.24 30.28 2a3s n GLN 97 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2a3s n ARG 98 N -0.59 0.64 -3.62 -1.09 5.12 -1.26 -5.05 116.66 110.81 2a3s n ARG 98 Ca 0.09 -2.49 -0.03 0.00 -1.93 0.00 0.00 57.85 53.49 2a3s n ARG 98 Cb 0.81 -0.54 -0.05 0.00 -1.16 0.00 0.00 32.46 31.51 2a3s n ARG 98 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2a3s s GLY 99 N -2.59 -0.63 -0.58 -0.13 0.00 -1.26 -5.03 107.32 97.10 2a3s s GLY 99 Ca 0.30 2.05 -0.02 0.00 0.00 0.00 0.00 44.72 47.05 2a3s s GLY 99 CO -0.12 2.89 2.05 1.55 0.00 0.00 0.00 173.10 179.47 2a3s n VAL 100 N 5.43 3.40 -0.16 1.40 3.14 -1.26 -5.11 118.33 125.18 2a3s n VAL 100 Ca -0.10 -2.65 0.00 0.00 -2.96 0.00 0.00 64.34 58.63 2a3s n VAL 100 Cb 0.49 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 2a3s n VAL 100 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83