#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 4.23 -2.95 -1.84 7.64 -1.26 -4.85 113.62 114.59 2a3s n SER 2 Ca 0.00 -3.64 -0.20 0.00 1.01 0.00 0.00 58.87 56.04 2a3s n SER 2 Cb 0.00 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.63 2a3s n SER 2 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2a3s n LYS 3 N -0.23 1.98 0.12 1.43 -0.00 -1.26 -4.89 118.16 115.30 2a3s n LYS 3 Ca 0.31 -3.94 -0.02 0.00 -0.00 0.00 0.00 58.31 54.66 2a3s n LYS 3 Cb 0.44 -1.86 0.20 0.00 -0.00 0.00 0.00 35.03 33.81 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2a3s h PRO 4 N 2.94 0.10 0.04 -1.58 0.13 -2.03 -3.37 132.00 128.23 2a3s h PRO 4 Ca 0.10 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2a3s h PRO 4 Cb 0.86 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2a3s h PRO 4 CO 0.64 0.62 -0.02 -1.00 -0.23 0.00 0.00 178.00 178.01 2a3s h PRO 5 N 0.08 -0.05 -7.07 1.56 0.13 -1.97 -3.45 132.00 121.23 2a3s h PRO 5 Ca -0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2a3s h PRO 5 Cb 0.98 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.15 2a3s h PRO 5 CO 0.08 -0.03 0.26 0.71 -0.23 0.00 0.00 178.00 178.78 2a3s s TYR 6 N -1.54 3.50 0.00 1.56 2.02 -1.26 -3.62 117.35 118.01 2a3s s TYR 6 Ca -0.01 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 2a3s s TYR 6 Cb 0.00 -2.60 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 2a3s s TYR 6 CO 0.02 -0.32 0.00 0.45 -1.57 0.00 0.00 175.55 174.13 2a3s n SER 7 N -1.76 1.05 -3.50 2.29 2.88 -1.26 -4.85 113.62 108.47 2a3s n SER 7 Ca 0.04 -0.01 -0.40 0.00 -1.33 0.00 0.00 58.87 57.18 2a3s n SER 7 Cb 0.54 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.02 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a3s n TYR 8 N 0.00 2.86 0.00 0.66 4.01 -1.26 -3.29 117.16 120.14 2a3s n TYR 8 Ca 0.00 -2.59 0.00 0.00 -0.16 0.00 0.00 57.90 55.15 2a3s n TYR 8 Cb 0.00 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a3s n ALA 9 N -0.14 0.00 0.03 -0.72 0.00 -1.26 -4.85 120.51 113.57 2a3s n ALA 9 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 2a3s n ALA 9 Cb 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.09 -0.88 0.00 3.07 -1.89 -2.99 115.11 112.51 2a3s h GLN 10 Ca 0.00 -0.15 0.13 0.00 0.09 0.00 0.00 58.65 58.72 2a3s h GLN 10 Cb 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 27.48 27.55 2a3s h GLN 10 CO 0.00 0.87 0.57 1.25 0.09 0.00 0.00 178.83 181.61 2a3s h LEU 11 N 0.02 0.68 0.01 0.06 5.85 -1.89 -0.52 115.31 119.53 2a3s h LEU 11 Ca -0.19 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2a3s h LEU 11 Cb 1.94 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2a3s h LEU 11 CO 0.12 0.36 -0.01 0.40 -0.34 0.00 0.00 178.44 178.98 2a3s h ILE 12 N 0.73 1.32 -0.24 4.05 1.08 -1.78 -2.07 117.51 120.59 2a3s h ILE 12 Ca 0.43 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.94 2a3s h ILE 12 Cb 0.64 2.01 -0.08 0.00 -3.07 0.00 0.00 36.82 36.32 2a3s h ILE 12 CO -0.19 0.26 -0.40 0.58 -0.69 0.00 0.00 178.15 177.71 2a3s h VAL 13 N -0.46 0.16 -0.21 1.67 2.07 -0.99 1.48 116.25 119.98 2a3s h VAL 13 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2a3s h VAL 13 Cb 0.44 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2a3s h VAL 13 CO 0.00 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.33 2a3s h GLN 14 N -0.40 0.00 0.20 1.57 4.20 -1.30 2.20 115.11 121.57 2a3s h GLN 14 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2a3s h GLN 14 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2a3s h GLN 14 CO -0.46 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 177.60 2a3s h ALA 15 N 1.83 -0.26 0.00 3.87 0.00 0.24 -2.71 119.26 122.23 2a3s h ALA 15 Ca 0.10 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2a3s h ALA 15 Cb 0.46 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2a3s h ALA 15 CO -0.00 -0.42 -0.88 -0.84 0.00 0.00 0.00 179.25 177.12 2a3s h ILE 16 N -0.73 0.68 -0.65 0.00 3.07 0.13 -3.31 117.51 116.70 2a3s h ILE 16 Ca -0.03 -1.80 0.15 0.00 1.55 0.00 0.00 64.86 64.74 2a3s h ILE 16 Cb 0.50 1.57 -0.04 0.00 -0.27 0.00 0.00 36.82 38.59 2a3s h ILE 16 CO 0.04 0.23 0.45 0.28 -1.05 0.00 0.00 178.15 178.10 2a3s h SER 17 N -1.00 0.20 0.54 2.16 0.02 0.34 0.54 113.55 116.35 2a3s h SER 17 Ca -0.20 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2a3s h SER 17 Cb 0.99 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2a3s h SER 17 CO -0.12 0.11 -0.02 -0.24 -1.14 0.00 0.00 176.83 175.41 2a3s n SER 18 N -4.43 0.07 -4.92 3.07 2.88 -1.02 -4.80 113.62 104.47 2a3s n SER 18 Ca 0.12 -0.20 -0.28 0.00 -1.33 0.00 0.00 58.87 57.17 2a3s n SER 18 Cb 0.57 -0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s s ALA 19 N -2.56 3.76 0.02 -1.46 0.00 0.19 -5.01 121.76 116.70 2a3s s ALA 19 Ca 0.29 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2a3s s ALA 19 Cb 0.20 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2a3s s ALA 19 CO 0.47 0.41 1.06 -0.56 0.00 0.00 0.00 175.76 177.14 2a3s h GLN 20 N 2.02 -0.00 -5.60 0.00 3.07 -1.87 -3.34 115.11 109.39 2a3s h GLN 20 Ca -0.48 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 57.67 2a3s h GLN 20 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.65 2a3s h GLN 20 CO 0.68 -0.00 0.02 -0.51 0.09 0.00 0.00 178.83 179.11 2a3s s ASP 21 N -3.25 6.62 -0.45 0.06 1.11 -1.26 -4.93 116.67 114.56 2a3s s ASP 21 Ca -0.01 0.75 -0.10 0.00 0.18 0.00 0.00 52.55 53.37 2a3s s ASP 21 Cb 0.01 -2.32 -0.10 0.00 1.07 0.00 0.00 42.92 41.59 2a3s s ASP 21 CO 0.07 -0.21 1.63 0.54 1.18 0.00 0.00 175.17 178.37 2a3s n ARG 22 N 4.85 0.99 -3.64 8.23 3.00 -1.26 -4.67 116.66 124.16 2a3s n ARG 22 Ca -0.03 -1.13 -0.10 0.00 -0.01 0.00 0.00 57.85 56.58 2a3s n ARG 22 Cb 0.50 -2.38 -0.07 0.00 0.00 0.00 0.00 32.46 30.50 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2a3s s GLN 23 N 4.72 0.72 0.09 5.56 -2.07 -1.26 -3.02 119.66 124.41 2a3s s GLN 23 Ca 0.33 1.11 0.03 0.00 -1.82 0.00 0.00 55.36 55.01 2a3s s GLN 23 Cb 0.08 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 2a3s s GLN 23 CO 0.06 -0.13 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.30 2a3s s LEU 24 N 1.18 2.41 0.82 2.60 1.43 -0.25 -4.97 118.68 121.90 2a3s s LEU 24 Ca -0.06 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 2a3s s LEU 24 Cb -0.05 -0.24 0.09 0.00 0.03 0.00 0.00 46.19 46.02 2a3s s LEU 24 CO -0.12 -0.30 1.17 0.42 0.23 0.00 0.00 176.35 177.75 2a3s s THR 25 N -2.59 2.06 0.28 5.49 -4.23 -1.26 -2.15 115.64 113.24 2a3s s THR 25 Ca 0.05 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2a3s s THR 25 Cb -0.02 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.12 2a3s s THR 25 CO -0.01 -0.02 1.74 0.25 -0.54 0.00 0.00 174.62 176.03 2a3s h LEU 26 N -1.12 0.48 -3.93 4.79 6.46 -1.91 0.40 115.31 120.48 2a3s h LEU 26 Ca -0.47 0.12 -0.58 0.00 -0.12 0.00 0.00 57.88 56.83 2a3s h LEU 26 Cb 1.33 0.05 -0.28 0.00 -0.73 0.00 0.00 40.66 41.03 2a3s h LEU 26 CO 0.65 0.14 0.75 -0.24 -0.62 0.00 0.00 178.44 179.12 2a3s n SER 27 N -4.93 5.97 -0.12 1.25 2.88 -1.26 -4.36 113.62 113.06 2a3s n SER 27 Ca 0.20 -3.64 -0.23 0.00 -1.33 0.00 0.00 58.87 53.87 2a3s n SER 27 Cb 0.55 -0.92 -0.08 0.00 -0.75 0.00 0.00 64.21 63.01 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 -0.91 -0.43 0.37 0.46 0.00 0.14 -3.86 105.19 100.95 2a3s n GLY 28 Ca 0.59 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.91 0.93 0.09 -0.61 2.10 -1.76 0.66 117.51 118.01 2a3s h ILE 29 Ca -0.48 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.17 2a3s h ILE 29 Cb 1.40 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 2a3s h ILE 29 CO -0.29 0.15 -0.04 1.88 -1.08 0.00 0.00 178.15 178.76 2a3s h TYR 30 N 0.81 -0.11 -0.02 2.19 0.05 -1.80 -0.30 116.97 117.78 2a3s h TYR 30 Ca 0.41 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.20 2a3s h TYR 30 Cb 0.49 0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 2a3s h TYR 30 CO -0.00 0.20 0.08 0.00 -1.05 0.00 0.00 178.16 177.39 2a3s h ALA 31 N 0.43 1.23 0.12 3.88 0.00 -1.42 0.10 119.26 123.60 2a3s h ALA 31 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2a3s h ALA 31 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2a3s h ALA 31 CO 0.02 -0.10 -0.06 1.25 0.00 0.00 0.00 179.25 180.37 2a3s h HIS 32 N 0.00 -0.14 -0.92 0.00 -0.00 0.12 -2.88 115.15 111.32 2a3s h HIS 32 Ca 0.01 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 2a3s h HIS 32 Cb 0.18 0.05 -0.08 0.00 -0.00 0.00 0.00 27.41 27.56 2a3s h HIS 32 CO 0.00 -0.09 0.56 0.97 -0.00 0.00 0.00 177.93 179.37 2a3s h ILE 33 N -0.78 0.92 -0.35 6.26 2.10 -0.74 0.23 117.51 125.16 2a3s h ILE 33 Ca -0.02 -0.31 0.03 0.00 1.08 0.00 0.00 64.86 65.65 2a3s h ILE 33 Cb 0.12 -0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 35.76 2a3s h ILE 33 CO 0.03 0.16 0.23 0.71 -1.08 0.00 0.00 178.15 178.21 2a3s h THR 34 N 0.90 1.01 0.00 2.19 1.35 -0.91 2.35 112.91 119.79 2a3s h THR 34 Ca 0.45 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 66.08 2a3s h THR 34 Cb 0.43 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 2a3s h THR 34 CO -0.26 0.06 -0.69 0.50 -0.25 0.00 0.00 175.52 174.88 2a3s h LYS 35 N 0.34 0.00 0.14 4.72 3.64 -0.61 -3.40 116.57 121.41 2a3s h LYS 35 Ca 0.14 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.27 2a3s h LYS 35 Cb 0.15 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2a3s h LYS 35 CO -0.03 0.80 -1.10 0.45 -2.27 0.00 0.00 179.45 177.30 2a3s h HIS 36 N -1.00 0.83 -3.67 1.91 3.86 -0.57 -3.42 115.15 113.09 2a3s h HIS 36 Ca -0.18 -0.55 -0.65 0.00 -1.16 0.00 0.00 60.37 57.83 2a3s h HIS 36 Cb 1.02 -0.05 -0.16 0.00 1.06 0.00 0.00 27.41 29.27 2a3s h HIS 36 CO 0.11 1.41 -0.22 0.71 0.86 0.00 0.00 177.93 180.79 2a3s s TYR 37 N -2.76 3.21 0.11 2.45 1.51 0.79 -4.94 117.35 117.72 2a3s s TYR 37 Ca -0.11 0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 2a3s s TYR 37 Cb 0.04 -2.70 -0.16 0.00 -0.11 0.00 0.00 41.96 39.02 2a3s s TYR 37 CO 0.89 -0.41 1.25 -1.00 -1.11 0.00 0.00 175.55 175.17 2a3s h PRO 38 N 8.40 0.31 -0.60 -1.71 0.13 -1.81 -3.25 132.00 133.47 2a3s h PRO 38 Ca -0.30 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.44 2a3s h PRO 38 Cb 1.14 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2a3s h PRO 38 CO 0.70 1.13 0.40 -0.92 -0.23 0.00 0.00 178.00 179.07 2a3s h TYR 39 N 0.14 0.73 -2.56 1.56 3.20 -1.92 -3.35 116.97 114.78 2a3s h TYR 39 Ca -0.10 0.02 -0.63 0.00 3.14 0.00 0.00 58.73 61.16 2a3s h TYR 39 Cb 1.74 -0.25 -0.14 0.00 1.54 0.00 0.00 36.73 39.61 2a3s h TYR 39 CO 0.06 0.45 0.64 0.71 -1.64 0.00 0.00 178.16 178.38 2a3s s TYR 40 N -5.67 2.71 0.27 -3.82 2.02 -1.23 -4.50 117.35 107.13 2a3s s TYR 40 Ca -0.10 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 2a3s s TYR 40 Cb 0.18 -4.32 0.00 0.00 -0.40 0.00 0.00 41.96 37.42 2a3s s TYR 40 CO 0.76 -1.66 0.00 -2.13 -1.57 0.00 0.00 175.55 170.95 2a3s n ARG 41 N 7.68 0.00 -2.29 -0.62 3.00 -1.26 -3.92 116.66 119.25 2a3s n ARG 41 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.61 2a3s n ARG 41 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.93 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2a3s n THR 42 N -3.05 2.41 -1.22 5.15 -2.24 -1.26 -5.03 114.28 109.05 2a3s n THR 42 Ca 0.00 -4.58 0.00 0.00 -2.27 0.00 0.00 64.05 57.20 2a3s n THR 42 Cb 0.00 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s n ALA 43 N -0.58 0.00 -2.31 6.98 0.00 -1.26 -5.10 120.51 118.24 2a3s n ALA 43 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.59 2a3s n ALA 43 Cb 0.80 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.26 2a3s n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3s s ASP 44 N -0.86 6.03 -0.17 0.00 1.11 -1.26 -4.96 116.67 116.56 2a3s s ASP 44 Ca 0.00 0.65 0.05 0.00 0.18 0.00 0.00 52.55 53.43 2a3s s ASP 44 Cb 0.00 -1.93 0.39 0.00 1.07 0.00 0.00 42.92 42.45 2a3s s ASP 44 CO 0.00 -0.66 1.28 0.29 1.18 0.00 0.00 175.17 177.26 2a3s n LYS 45 N -2.21 2.47 0.35 8.23 5.02 -1.26 -4.40 118.16 126.37 2a3s n LYS 45 Ca 0.01 -1.60 -0.18 0.00 -2.02 0.00 0.00 58.31 54.52 2a3s n LYS 45 Cb 0.56 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 2a3s n LYS 45 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2a3s h GLY 46 N 3.67 -0.89 1.79 0.72 0.00 -2.01 -1.56 103.07 104.79 2a3s h GLY 46 Ca 0.13 0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.81 2a3s h GLY 46 CO 0.38 -0.32 0.09 0.11 0.00 0.00 0.00 176.54 176.80 2a3s h TRP 47 N -0.85 0.00 0.00 5.60 5.08 -1.97 -1.89 115.95 121.91 2a3s h TRP 47 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.88 2a3s h TRP 47 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 2a3s h TRP 47 CO -0.03 0.00 0.00 0.94 -1.28 0.00 0.00 178.44 178.07 2a3s n GLN 48 N -3.53 0.00 0.30 0.12 -0.06 -0.59 0.19 117.38 113.81 2a3s n GLN 48 Ca -0.02 0.51 0.18 0.00 -2.00 0.00 0.00 57.00 55.67 2a3s n GLN 48 Cb 0.18 -1.37 0.96 0.00 -4.06 0.00 0.00 30.24 25.95 2a3s n GLN 48 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 2a3s h ASN 49 N 0.00 0.00 0.29 1.69 -1.07 -1.54 -2.77 115.58 112.18 2a3s h ASN 49 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 2a3s h ASN 49 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2a3s h ASN 49 CO 0.00 0.03 -0.14 -1.28 0.07 0.00 0.00 177.43 176.11 2a3s h SER 50 N 0.00 -0.33 -0.24 6.14 0.87 -0.63 -2.56 113.55 116.80 2a3s h SER 50 Ca -0.00 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2a3s h SER 50 Cb 0.15 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 2a3s h SER 50 CO 0.00 0.14 -0.50 0.40 -0.53 0.00 0.00 176.83 176.35 2a3s h ILE 51 N -0.95 0.05 -0.77 2.23 1.08 0.24 2.19 117.51 121.57 2a3s h ILE 51 Ca -0.04 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.61 2a3s h ILE 51 Cb 0.50 0.05 -0.12 0.00 -3.07 0.00 0.00 36.82 34.17 2a3s h ILE 51 CO 0.07 0.00 0.12 -0.09 -0.69 0.00 0.00 178.15 177.56 2a3s h ARG 52 N -0.48 0.18 0.00 2.37 2.43 -1.61 0.98 114.38 118.25 2a3s h ARG 52 Ca 0.07 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2a3s h ARG 52 Cb 0.64 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2a3s h ARG 52 CO -0.49 0.12 -0.29 1.25 -1.51 0.00 0.00 179.97 179.05 2a3s h HIS 53 N 0.19 0.00 -0.17 2.20 2.76 -0.39 -3.20 115.15 116.53 2a3s h HIS 53 Ca 0.44 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.44 2a3s h HIS 53 Cb 0.80 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 2a3s h HIS 53 CO -0.32 0.29 -0.59 -0.91 -1.30 0.00 0.00 177.93 175.10 2a3s h ASN 54 N 0.00 0.62 1.07 3.26 2.35 1.13 -2.25 115.58 121.75 2a3s h ASN 54 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2a3s h ASN 54 Cb 0.99 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2a3s h ASN 54 CO 0.04 1.07 0.00 -0.07 -1.65 0.00 0.00 177.43 176.82 2a3s h LEU 55 N 0.41 0.00 0.04 1.61 -0.00 -1.02 0.78 115.31 117.14 2a3s h LEU 55 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 2a3s h LEU 55 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2a3s h LEU 55 CO 0.11 0.00 -0.74 0.77 -0.00 0.00 0.00 178.44 178.58 2a3s h SER 56 N 0.00 0.14 1.66 -0.43 4.64 -1.58 -3.33 113.55 114.65 2a3s h SER 56 Ca 0.00 -0.83 -0.03 0.00 -0.47 0.00 0.00 61.79 60.46 2a3s h SER 56 Cb 0.53 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2a3s h SER 56 CO 0.00 1.31 -0.16 0.17 -0.87 0.00 0.00 176.83 177.29 2a3s h LEU 57 N -0.77 0.00 -9.51 5.97 8.10 -1.34 -3.46 115.31 114.31 2a3s h LEU 57 Ca -0.18 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.23 2a3s h LEU 57 Cb 1.33 0.00 0.16 0.00 -0.44 0.00 0.00 40.66 41.71 2a3s h LEU 57 CO -0.02 0.16 -0.30 0.59 -4.11 0.00 0.00 178.44 174.75 2a3s n ASN 58 N -3.16 -0.66 -0.24 0.17 3.02 0.27 -4.86 115.26 109.80 2a3s n ASN 58 Ca 0.03 0.80 0.13 0.00 -0.03 0.00 0.00 54.58 55.51 2a3s n ASN 58 Cb 0.55 -1.19 0.37 0.00 -0.61 0.00 0.00 39.78 38.90 2a3s n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a3s n ARG 59 N 0.03 0.83 0.00 3.52 1.74 -1.26 -4.03 116.66 117.48 2a3s n ARG 59 Ca 0.11 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 2a3s n ARG 59 Cb 0.45 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2a3s n TYR 60 N -0.66 0.00 -4.17 -1.55 4.11 -1.26 -5.01 117.16 108.62 2a3s n TYR 60 Ca 0.12 -0.16 -0.26 0.00 -0.00 0.00 0.00 57.90 57.59 2a3s n TYR 60 Cb 0.35 -0.02 -0.07 0.00 -0.00 0.00 0.00 39.34 39.60 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2a3s s PHE 61 N -0.33 2.95 0.34 -3.48 0.08 -1.26 0.17 117.98 116.46 2a3s s PHE 61 Ca 0.00 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2a3s s PHE 61 Cb 0.00 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 2a3s s PHE 61 CO 0.00 0.52 0.55 0.96 -0.10 0.00 0.00 175.22 177.15 2a3s s ILE 62 N -1.77 0.00 0.12 0.64 -4.36 0.86 -4.76 121.20 111.92 2a3s s ILE 62 Ca 0.29 -1.44 0.09 0.00 -0.26 0.00 0.00 60.65 59.33 2a3s s ILE 62 Cb -0.09 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 2a3s s ILE 62 CO 0.20 0.00 -0.22 -0.54 0.24 0.00 0.00 174.94 174.63 2a3s s LYS 63 N -2.97 1.22 -0.18 0.37 -0.14 -1.26 -1.45 119.74 115.33 2a3s s LYS 63 Ca 0.26 -1.26 -0.06 0.00 -1.36 0.00 0.00 55.97 53.56 2a3s s LYS 63 Cb -0.02 -1.49 -0.03 0.00 -1.68 0.00 0.00 37.83 34.61 2a3s s LYS 63 CO 0.17 0.34 0.02 0.08 -0.76 0.00 0.00 175.35 175.21 2a3s s VAL 64 N -1.32 4.40 0.00 3.17 1.01 -0.86 -4.87 120.40 121.94 2a3s s VAL 64 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2a3s s VAL 64 Cb -0.09 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2a3s s VAL 64 CO 0.05 0.46 0.00 -0.81 0.00 0.00 0.00 175.10 174.80 2a3s n PRO 65 N 3.66 -0.24 -3.67 2.72 -0.04 -1.26 -4.42 135.00 131.74 2a3s n PRO 65 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 2a3s n PRO 65 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 2a3s n PRO 65 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2a3s s ARG 66 N -2.98 1.47 0.20 0.54 1.70 -1.26 -4.97 118.95 113.65 2a3s s ARG 66 Ca 0.00 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 2a3s s ARG 66 Cb 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2a3s s ARG 66 CO 0.00 -0.67 0.00 -1.13 -1.08 0.00 0.00 175.30 172.42 2a3s n SER 67 N -0.42 0.45 -3.65 -2.89 3.41 -1.26 -5.10 113.62 104.16 2a3s n SER 67 Ca -0.09 0.32 -0.05 0.00 -0.26 0.00 0.00 58.87 58.79 2a3s n SER 67 Cb 0.61 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 2a3s n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3s s GLN 68 N -2.00 0.53 0.18 4.33 -2.07 -1.26 -5.17 119.66 114.21 2a3s s GLN 68 Ca 0.00 1.25 0.08 0.00 -1.82 0.00 0.00 55.36 54.87 2a3s s GLN 68 Cb 0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 2a3s s GLN 68 CO 0.00 -0.20 -0.16 -1.21 -1.32 0.00 0.00 175.29 172.41 2a3s s GLU 69 N 2.41 1.28 -0.02 9.60 2.02 -1.26 -5.06 118.70 127.67 2a3s s GLU 69 Ca -0.06 -1.49 -0.24 0.00 0.02 0.00 0.00 54.97 53.20 2a3s s GLU 69 Cb -0.10 -1.18 -0.17 0.00 0.10 0.00 0.00 34.13 32.77 2a3s s GLU 69 CO -0.17 0.22 1.10 0.93 0.02 0.00 0.00 175.26 177.36 2a3s h GLU 70 N 2.90 -0.21 -7.55 1.61 4.39 -2.03 -3.45 114.58 110.24 2a3s h GLU 70 Ca -0.40 0.01 -0.47 0.00 0.34 0.00 0.00 59.36 58.85 2a3s h GLU 70 Cb 1.21 0.05 0.11 0.00 -0.10 0.00 0.00 28.75 30.02 2a3s h GLU 70 CO 0.57 0.20 0.37 -1.25 -1.16 0.00 0.00 179.01 177.74 2a3s s PRO 71 N -4.06 1.77 -1.24 2.33 0.04 -1.26 -4.96 135.00 127.62 2a3s s PRO 71 Ca -0.14 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.04 2a3s s PRO 71 Cb 0.01 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.82 2a3s s PRO 71 CO 0.55 -1.75 1.69 0.41 0.04 0.00 0.00 177.00 177.94 2a3s n GLY 72 N -2.81 4.32 3.79 0.56 0.00 -1.26 -5.00 105.19 104.78 2a3s n GLY 72 Ca 0.07 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 2a3s n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a3s s LYS 73 N 0.55 2.53 0.00 1.61 2.20 -1.26 -5.05 119.74 120.31 2a3s s LYS 73 Ca 0.40 1.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 2a3s s LYS 73 Cb 0.05 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 2a3s s LYS 73 CO 0.01 -1.42 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 2a3s n GLY 74 N -1.56 0.69 3.05 5.54 0.00 -1.26 -5.06 105.19 106.59 2a3s n GLY 74 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.31 3.94 -0.44 1.61 0.01 -1.26 -5.06 113.70 112.19 2a3s s SER 75 Ca 0.00 -1.14 -0.15 0.00 1.31 0.00 0.00 55.95 55.97 2a3s s SER 75 Cb 0.00 -1.44 0.04 0.00 0.21 0.00 0.00 66.02 64.83 2a3s s SER 75 CO 0.00 -0.15 0.36 0.12 0.41 0.00 0.00 173.24 173.98 2a3s s PHE 76 N 1.22 3.23 0.19 2.43 2.19 -1.26 -3.15 117.98 122.83 2a3s s PHE 76 Ca -0.05 -0.71 0.05 0.00 0.33 0.00 0.00 56.93 56.55 2a3s s PHE 76 Cb -0.18 -2.88 -0.04 0.00 -1.31 0.00 0.00 43.02 38.62 2a3s s PHE 76 CO -0.07 -0.70 0.20 1.67 1.83 0.00 0.00 175.22 178.16 2a3s s TRP 77 N 1.73 3.25 0.29 10.12 1.48 -0.91 -2.02 118.94 132.87 2a3s s TRP 77 Ca 0.05 -0.01 -0.01 0.00 -1.06 0.00 0.00 56.10 55.08 2a3s s TRP 77 Cb -0.21 -1.53 0.00 0.00 -1.16 0.00 0.00 33.47 30.57 2a3s s TRP 77 CO 0.09 0.51 0.39 2.89 -4.06 0.00 0.00 176.95 176.77 2a3s n ARG 78 N -0.66 0.56 -3.75 3.25 1.85 -0.53 -1.09 116.66 116.30 2a3s n ARG 78 Ca -0.08 -2.39 -0.20 0.00 -1.00 0.00 0.00 57.85 54.18 2a3s n ARG 78 Cb 0.55 2.26 -0.01 0.00 -1.05 0.00 0.00 32.46 34.21 2a3s n ARG 78 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2a3s s ILE 79 N -2.79 4.77 0.58 8.89 -4.36 -1.17 -0.10 121.20 127.03 2a3s s ILE 79 Ca 0.25 -0.97 -0.19 0.00 -0.26 0.00 0.00 60.65 59.48 2a3s s ILE 79 Cb -0.01 -3.68 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 2a3s s ILE 79 CO 0.18 -0.27 1.18 -1.81 0.24 0.00 0.00 174.94 174.46 2a3s s ASP 80 N -4.06 5.34 -0.09 4.36 1.01 0.45 -4.75 116.67 118.93 2a3s s ASP 80 Ca 0.39 2.31 -0.26 0.00 0.71 0.00 0.00 52.55 55.70 2a3s s ASP 80 Cb -0.09 -2.59 -0.27 0.00 1.01 0.00 0.00 42.92 40.98 2a3s s ASP 80 CO 0.30 -1.49 0.89 1.55 0.21 0.00 0.00 175.17 176.63 2a3s h PRO 81 N 0.94 0.13 0.00 8.23 0.13 -1.98 -2.69 132.00 136.76 2a3s h PRO 81 Ca -0.50 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2a3s h PRO 81 Cb 1.28 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2a3s h PRO 81 CO 0.56 1.03 0.00 0.00 -0.23 0.00 0.00 178.00 179.35 2a3s n ALA 82 N -2.60 2.63 0.41 -0.56 0.00 -1.26 -2.60 120.51 116.53 2a3s n ALA 82 Ca -0.11 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.20 2a3s n ALA 82 Cb 0.57 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 2a3s n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3s n SER 83 N -0.95 0.90 0.17 0.00 7.64 -1.23 -4.62 113.62 115.52 2a3s n SER 83 Ca 0.21 -0.95 -0.14 0.00 1.01 0.00 0.00 58.87 59.00 2a3s n SER 83 Cb 0.10 0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.67 -0.51 0.00 1.43 4.22 -1.22 2.25 114.58 121.42 2a3s h GLU 84 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2a3s h GLU 84 Cb 0.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2a3s h GLU 84 CO 0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 179.01 176.49 2a3s h ALA 85 N 0.13 1.00 0.00 2.92 0.00 -1.82 -1.29 119.26 120.21 2a3s h ALA 85 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2a3s h ALA 85 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2a3s h ALA 85 CO -0.05 0.00 -0.91 1.17 0.00 0.00 0.00 179.25 179.46 2a3s n LYS 86 N -2.39 0.50 0.21 0.00 3.00 0.11 -4.07 118.16 115.51 2a3s n LYS 86 Ca -0.01 0.47 -0.16 0.00 -0.00 0.00 0.00 58.31 58.61 2a3s n LYS 86 Cb 0.06 -1.65 -0.08 0.00 0.00 0.00 0.00 35.03 33.36 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2a3s h LEU 87 N -1.00 -1.24 -1.87 3.14 -0.00 0.38 -0.26 115.31 114.45 2a3s h LEU 87 Ca -0.13 0.12 0.51 0.00 -0.00 0.00 0.00 57.88 58.37 2a3s h LEU 87 Cb 0.85 0.43 -0.07 0.00 -0.00 0.00 0.00 40.66 41.88 2a3s h LEU 87 CO -0.08 -0.56 1.33 -0.37 -0.00 0.00 0.00 178.44 178.76 2a3s h VAL 88 N -0.81 0.05 0.15 0.15 -1.51 -1.43 0.57 116.25 113.43 2a3s h VAL 88 Ca -0.02 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.47 2a3s h VAL 88 Cb 0.75 0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 29.92 2a3s h VAL 88 CO -0.14 0.00 -0.40 -0.08 -1.23 0.00 0.00 177.57 175.73 2a3s h GLU 89 N 0.00 -0.63 0.00 5.19 4.57 -1.18 0.48 114.58 123.01 2a3s h GLU 89 Ca 0.83 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 59.06 2a3s h GLU 89 Cb 3.48 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 32.22 2a3s h GLU 89 CO -0.01 -0.42 0.00 0.00 -1.18 0.00 0.00 179.01 177.40 2a3s n GLN 90 N -5.46 0.64 -0.02 1.92 10.64 0.16 -3.62 117.38 121.64 2a3s n GLN 90 Ca -0.07 0.02 -0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2a3s n GLN 90 Cb 0.37 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2a3s h ALA 91 N 3.42 -0.00 -0.13 2.61 0.00 0.30 -3.37 119.26 122.09 2a3s h ALA 91 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2a3s h ALA 91 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2a3s h ALA 91 CO 0.00 -0.00 -0.37 0.74 0.00 0.00 0.00 179.25 179.61 2a3s h PHE 92 N -0.41 -1.05 -3.25 0.00 0.04 -1.26 -3.41 116.94 107.60 2a3s h PHE 92 Ca -0.00 0.04 -0.55 0.00 2.80 0.00 0.00 57.97 60.26 2a3s h PHE 92 Cb 0.00 0.48 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2a3s h PHE 92 CO 0.00 -0.44 -0.22 0.50 -0.60 0.00 0.00 178.31 177.55 2a3s s ARG 93 N -5.94 3.68 0.41 1.51 6.06 -1.24 -5.04 118.95 118.39 2a3s s ARG 93 Ca -0.15 0.04 -0.26 0.00 -2.50 0.00 0.00 55.73 52.85 2a3s s ARG 93 Cb 0.10 -2.75 -0.09 0.00 0.06 0.00 0.00 34.95 32.27 2a3s s ARG 93 CO 0.65 0.38 1.40 0.15 -2.50 0.00 0.00 175.30 175.38 2a3s s LYS 94 N -2.85 3.92 -0.60 5.12 1.02 -1.26 -4.61 119.74 120.47 2a3s s LYS 94 Ca 0.44 2.36 -0.26 0.00 0.02 0.00 0.00 55.97 58.53 2a3s s LYS 94 Cb -0.12 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 2a3s s LYS 94 CO 0.24 -0.60 2.35 -0.98 -0.92 0.00 0.00 175.35 175.44 2a3s s ARG 95 N -2.25 2.01 0.00 1.68 1.70 -1.24 -4.02 118.95 116.83 2a3s s ARG 95 Ca 0.57 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.84 2a3s s ARG 95 Cb -0.42 -4.65 0.00 0.00 -0.57 0.00 0.00 34.95 29.31 2a3s s ARG 95 CO 0.56 -3.59 0.00 -2.13 -1.08 0.00 0.00 175.30 169.06 2a3s n ARG 96 N 8.97 0.00 -3.82 3.89 0.63 -1.26 -5.06 116.66 120.00 2a3s n ARG 96 Ca 0.38 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 57.11 2a3s n ARG 96 Cb 0.51 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.40 2a3s n ARG 96 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2a3s s GLN 97 N -0.56 3.17 -0.23 -0.14 0.74 -1.26 -5.09 119.66 116.30 2a3s s GLN 97 Ca 0.00 -0.95 -0.08 0.00 0.05 0.00 0.00 55.36 54.38 2a3s s GLN 97 Cb 0.00 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2a3s s GLN 97 CO 0.00 0.27 0.08 1.03 -0.55 0.00 0.00 175.29 176.13 2a3s s ARG 98 N -4.02 3.83 0.08 1.67 0.52 -1.26 -4.88 118.95 114.90 2a3s s ARG 98 Ca 0.38 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2a3s s ARG 98 Cb -0.09 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.06 2a3s s ARG 98 CO 0.29 0.00 0.01 0.41 0.02 0.00 0.00 175.30 176.03 2a3s n GLY 99 N 4.38 4.02 3.82 -3.53 0.00 -1.26 -5.15 105.19 107.47 2a3s n GLY 99 Ca -0.16 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 2a3s n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3s s VAL 100 N -1.55 4.75 -2.87 1.61 0.11 -1.26 -5.11 120.40 116.08 2a3s s VAL 100 Ca 0.02 -0.77 0.23 0.00 -2.93 0.00 0.00 61.98 58.53 2a3s s VAL 100 Cb 0.00 -3.34 0.18 0.00 -1.53 0.00 0.00 36.38 31.69 2a3s s VAL 100 CO 0.01 0.05 1.23 -0.24 -3.33 0.00 0.00 175.10 172.82