#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s s SER 2 N 0.00 4.03 -0.36 4.31 1.04 -1.26 -4.73 113.70 116.73 2a3s s SER 2 Ca 0.00 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2a3s s SER 2 Cb 0.00 -0.15 0.15 0.00 0.10 0.00 0.00 66.02 66.13 2a3s s SER 2 CO 0.00 -2.09 0.37 -0.75 0.98 0.00 0.00 173.24 171.75 2a3s s LYS 3 N -5.35 0.62 -0.46 4.02 2.47 -1.26 -5.10 119.74 114.67 2a3s s LYS 3 Ca 0.68 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 54.00 2a3s s LYS 3 Cb -0.05 -0.71 0.02 0.00 -1.46 0.00 0.00 37.83 35.63 2a3s s LYS 3 CO 0.47 -1.18 1.22 -1.25 0.16 0.00 0.00 175.35 174.76 2a3s s PRO 4 N 1.50 3.68 -0.02 4.03 0.04 -1.26 -4.92 135.00 138.05 2a3s s PRO 4 Ca 0.16 0.67 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 2a3s s PRO 4 Cb -0.15 -3.94 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 2a3s s PRO 4 CO -0.06 -1.44 -0.00 -1.00 0.04 0.00 0.00 177.00 174.54 2a3s h PRO 5 N 9.67 0.00 -6.22 0.56 0.13 -2.04 -3.48 132.00 130.61 2a3s h PRO 5 Ca -0.24 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 2a3s h PRO 5 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2a3s h PRO 5 CO 1.12 0.00 -0.29 0.71 -0.23 0.00 0.00 178.00 179.31 2a3s s TYR 6 N -1.12 2.12 1.06 1.56 1.51 -1.26 -4.71 117.35 116.51 2a3s s TYR 6 Ca -0.00 -0.64 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 2a3s s TYR 6 Cb 0.00 -2.12 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 2a3s s TYR 6 CO 0.00 -0.47 -0.22 0.43 -1.11 0.00 0.00 175.55 174.18 2a3s n SER 7 N -1.79 -2.65 -1.20 2.29 7.64 -1.26 -4.75 113.62 111.90 2a3s n SER 7 Ca 0.05 -0.17 0.02 0.00 1.01 0.00 0.00 58.87 59.78 2a3s n SER 7 Cb 0.62 -0.81 0.18 0.00 -1.01 0.00 0.00 64.21 63.20 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 -4.23 1.04 -0.04 1.43 4.01 -1.26 -3.08 117.16 115.03 2a3s n TYR 8 Ca 0.01 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 2a3s n TYR 8 Cb 0.57 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.24 1.54 0.04 -0.72 0.00 -1.26 -4.64 120.51 115.71 2a3s n ALA 9 Ca 0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 2a3s n ALA 9 Cb 0.74 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.05 2a3s n ALA 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2a3s h GLN 10 N 0.00 0.18 -0.23 0.00 -0.00 -1.85 -2.18 115.11 111.03 2a3s h GLN 10 Ca 0.00 -0.32 -0.05 0.00 -0.00 0.00 0.00 58.65 58.29 2a3s h GLN 10 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 2a3s h GLN 10 CO 0.00 1.00 -0.07 -0.07 0.00 0.00 0.00 178.83 179.69 2a3s h LEU 11 N 0.05 0.34 0.24 -2.39 -0.00 -1.84 -1.29 115.31 110.42 2a3s h LEU 11 Ca -0.26 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.55 2a3s h LEU 11 Cb 2.00 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 2a3s h LEU 11 CO 0.13 0.46 -0.11 0.40 -0.00 0.00 0.00 178.44 179.32 2a3s h ILE 12 N 0.35 0.51 -0.19 1.22 1.08 -1.82 0.28 117.51 118.94 2a3s h ILE 12 Ca 0.07 -0.95 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2a3s h ILE 12 Cb 0.35 0.87 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 2a3s h ILE 12 CO 0.02 0.13 -0.37 0.58 -0.69 0.00 0.00 178.15 177.82 2a3s h VAL 13 N -0.97 0.21 0.00 1.67 2.07 -1.23 1.37 116.25 119.38 2a3s h VAL 13 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2a3s h VAL 13 Cb 0.46 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2a3s h VAL 13 CO 0.05 0.00 -0.19 0.06 0.02 0.00 0.00 177.57 177.51 2a3s h GLN 14 N -0.41 0.00 -0.00 1.57 3.07 -1.34 2.15 115.11 120.15 2a3s h GLN 14 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.84 2a3s h GLN 14 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 2a3s h GLN 14 CO -0.41 0.19 -0.00 0.00 0.09 0.00 0.00 178.83 178.69 2a3s h ALA 15 N 1.81 0.01 0.15 0.06 0.00 0.38 -1.06 119.26 120.60 2a3s h ALA 15 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.35 2a3s h ALA 15 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2a3s h ALA 15 CO 0.02 -0.26 -1.67 0.82 0.00 0.00 0.00 179.25 178.16 2a3s h ILE 16 N -0.45 1.00 -0.76 0.00 2.04 0.18 -2.94 117.51 116.58 2a3s h ILE 16 Ca 0.00 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.23 2a3s h ILE 16 Cb 0.46 2.73 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 2a3s h ILE 16 CO 0.00 0.83 0.48 0.28 0.00 0.00 0.00 178.15 179.74 2a3s h SER 17 N 0.08 0.89 0.96 1.72 0.02 0.34 -0.40 113.55 117.18 2a3s h SER 17 Ca -0.30 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2a3s h SER 17 Cb 2.06 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2a3s h SER 17 CO 0.16 0.67 0.00 -0.24 -1.14 0.00 0.00 176.83 176.28 2a3s n SER 18 N -4.53 0.00 -3.14 3.07 2.88 -0.40 -4.79 113.62 106.71 2a3s n SER 18 Ca 0.07 0.50 -0.19 0.00 -1.33 0.00 0.00 58.87 57.93 2a3s n SER 18 Cb 0.03 -0.50 0.17 0.00 -0.75 0.00 0.00 64.21 63.16 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n ALA 19 N -1.50 -2.78 -0.80 -1.46 0.00 -0.16 -4.94 120.51 108.88 2a3s n ALA 19 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2a3s n ALA 19 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2a3s n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 20 N -4.03 0.00 0.00 0.00 7.27 -1.26 -4.59 117.38 114.76 2a3s n GLN 20 Ca 0.09 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2a3s n GLN 20 Cb 0.37 -1.10 0.00 0.00 2.41 0.00 0.00 30.24 31.91 2a3s n GLN 20 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2a3s n ASP 21 N -1.03 0.00 -0.54 1.69 -0.08 -1.26 -5.00 116.55 110.33 2a3s n ASP 21 Ca 0.00 0.15 -0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2a3s n ASP 21 Cb 0.00 -0.35 -0.00 0.00 2.34 0.00 0.00 41.12 43.11 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2a3s n ARG 22 N -1.92 0.00 -4.23 -0.67 1.85 -1.25 -4.82 116.66 105.62 2a3s n ARG 22 Ca 0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 2a3s n ARG 22 Cb 0.00 0.49 -0.15 0.00 -1.05 0.00 0.00 32.46 31.75 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2a3s s GLN 23 N 0.00 0.70 0.26 2.89 -2.07 -1.26 -3.10 119.66 117.09 2a3s s GLN 23 Ca 0.00 -0.19 0.05 0.00 -1.82 0.00 0.00 55.36 53.39 2a3s s GLN 23 Cb 0.00 -0.69 -0.06 0.00 -1.09 0.00 0.00 33.01 31.17 2a3s s GLN 23 CO -0.00 0.05 -0.01 -0.51 -1.32 0.00 0.00 175.29 173.50 2a3s s LEU 24 N 0.31 2.29 0.35 2.60 1.43 0.28 -4.83 118.68 121.10 2a3s s LEU 24 Ca -0.04 -1.24 0.07 0.00 -1.03 0.00 0.00 54.13 51.89 2a3s s LEU 24 Cb -0.08 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 2a3s s LEU 24 CO 0.00 -0.47 0.41 0.42 0.23 0.00 0.00 176.35 176.94 2a3s s THR 25 N -3.26 3.69 0.25 5.49 -4.23 -1.26 0.22 115.64 116.53 2a3s s THR 25 Ca 0.30 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 2a3s s THR 25 Cb 0.06 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.86 2a3s s THR 25 CO 0.11 -0.14 1.72 -0.07 -0.54 0.00 0.00 174.62 175.70 2a3s h LEU 26 N 0.99 0.23 -1.90 4.79 3.38 -1.96 1.21 115.31 122.05 2a3s h LEU 26 Ca -0.44 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2a3s h LEU 26 Cb 1.26 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2a3s h LEU 26 CO 0.54 0.06 0.00 -0.24 0.09 0.00 0.00 178.44 178.89 2a3s n SER 27 N -5.04 2.78 -0.13 -0.43 2.88 -1.26 -3.81 113.62 108.62 2a3s n SER 27 Ca 0.15 -2.30 -0.27 0.00 -1.33 0.00 0.00 58.87 55.12 2a3s n SER 27 Cb 0.45 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.52 -0.42 0.37 0.46 0.00 0.41 -3.11 105.19 103.41 2a3s n GLY 28 Ca 0.12 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.85 0.54 0.00 -0.61 -0.00 -1.44 0.99 117.51 116.14 2a3s h ILE 29 Ca -0.67 0.00 -0.06 0.00 -0.00 0.00 0.00 64.86 64.14 2a3s h ILE 29 Cb 1.62 0.74 -0.01 0.00 -0.00 0.00 0.00 36.82 39.18 2a3s h ILE 29 CO -0.37 0.00 -0.34 1.88 -0.00 0.00 0.00 178.15 179.32 2a3s h TYR 30 N 0.00 0.00 0.00 2.19 0.05 -1.73 -3.07 116.97 114.41 2a3s h TYR 30 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2a3s h TYR 30 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2a3s h TYR 30 CO 0.00 1.02 0.00 0.00 -1.05 0.00 0.00 178.16 178.13 2a3s h ALA 31 N -0.24 1.00 0.13 3.88 0.00 -1.23 -2.82 119.26 119.99 2a3s h ALA 31 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a3s h ALA 31 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2a3s h ALA 31 CO -0.05 0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.38 2a3s h HIS 32 N 0.00 -0.16 -0.90 0.00 -0.00 0.87 -3.32 115.15 111.64 2a3s h HIS 32 Ca 0.00 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.52 2a3s h HIS 32 Cb 0.43 0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 27.82 2a3s h HIS 32 CO 0.00 -0.05 0.58 0.97 -0.00 0.00 0.00 177.93 179.43 2a3s h ILE 33 N -1.04 0.80 0.00 6.26 2.10 -1.55 0.38 117.51 124.46 2a3s h ILE 33 Ca -0.02 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2a3s h ILE 33 Cb 0.19 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 2a3s h ILE 33 CO 0.03 0.12 0.07 0.71 -1.08 0.00 0.00 178.15 178.00 2a3s h THR 34 N 0.66 0.00 0.00 2.19 1.35 -1.58 0.17 112.91 115.70 2a3s h THR 34 Ca 0.46 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 66.14 2a3s h THR 34 Cb 0.80 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 2a3s h THR 34 CO -0.22 0.00 -1.11 0.11 -0.25 0.00 0.00 175.52 174.06 2a3s h LYS 35 N 0.00 0.00 0.00 4.72 1.57 -0.32 -3.42 116.57 119.11 2a3s h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a3s h LYS 35 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2a3s h LYS 35 CO 0.00 0.57 0.00 0.72 -0.57 0.00 0.00 179.45 180.17 2a3s n HIS 36 N -3.13 0.00 -2.66 -1.35 8.25 0.40 -4.91 115.22 111.83 2a3s n HIS 36 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 2a3s n HIS 36 Cb 0.88 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.99 3.20 -0.71 4.41 2.02 -0.02 -4.89 117.35 120.37 2a3s s TYR 37 Ca 0.00 1.25 0.25 0.00 -0.37 0.00 0.00 57.07 58.20 2a3s s TYR 37 Cb 0.00 -3.56 0.90 0.00 -0.40 0.00 0.00 41.96 38.89 2a3s s TYR 37 CO 0.00 -0.68 1.76 -0.35 -1.57 0.00 0.00 175.55 174.71 2a3s n PRO 38 N 6.70 0.20 0.09 -1.71 -0.04 -1.26 -3.21 135.00 135.77 2a3s n PRO 38 Ca 0.12 0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2a3s n PRO 38 Cb 0.47 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2a3s n PRO 38 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2a3s h TYR 39 N 0.00 0.00 -2.38 0.54 5.03 -1.93 -3.39 116.97 114.85 2a3s h TYR 39 Ca 0.00 0.00 -0.72 0.00 2.58 0.00 0.00 58.73 60.59 2a3s h TYR 39 Cb 0.59 0.00 -0.18 0.00 1.55 0.00 0.00 36.73 38.69 2a3s h TYR 39 CO 0.00 0.84 1.04 0.71 -1.32 0.00 0.00 178.16 179.42 2a3s s TYR 40 N -2.87 3.35 0.18 -3.82 1.51 -1.20 -4.34 117.35 110.17 2a3s s TYR 40 Ca 0.01 -1.79 0.00 0.00 -1.01 0.00 0.00 57.07 54.28 2a3s s TYR 40 Cb 0.10 -4.27 0.00 0.00 -0.11 0.00 0.00 41.96 37.68 2a3s s TYR 40 CO 0.79 -1.41 0.00 -2.13 -1.11 0.00 0.00 175.55 171.69 2a3s n ARG 41 N 5.94 0.00 -2.81 -0.62 0.63 -1.26 -3.72 116.66 114.82 2a3s n ARG 41 Ca 0.29 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.22 2a3s n ARG 41 Cb 0.46 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.43 2a3s n ARG 41 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2a3s n THR 42 N -2.94 1.03 -0.06 5.15 5.66 -1.26 -4.94 114.28 116.92 2a3s n THR 42 Ca 0.00 -2.57 -0.03 0.00 -3.05 0.00 0.00 64.05 58.41 2a3s n THR 42 Cb 0.00 1.25 -0.01 0.00 -1.55 0.00 0.00 70.33 70.02 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a3s h ALA 43 N 2.32 0.00 -2.55 1.79 0.00 -1.95 -3.49 119.26 115.37 2a3s h ALA 43 Ca -0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2a3s h ALA 43 Cb 1.27 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2a3s h ALA 43 CO 0.11 0.28 -0.34 -0.51 0.00 0.00 0.00 179.25 178.80 2a3s s ASP 44 N -5.62 0.02 -1.38 0.00 1.11 -1.26 -4.93 116.67 104.61 2a3s s ASP 44 Ca -0.08 -0.44 -0.07 0.00 0.18 0.00 0.00 52.55 52.14 2a3s s ASP 44 Cb 0.01 0.33 0.08 0.00 1.07 0.00 0.00 42.92 44.41 2a3s s ASP 44 CO 0.12 -0.65 2.46 0.29 1.18 0.00 0.00 175.17 178.57 2a3s n LYS 45 N 0.33 4.32 -0.00 8.23 5.02 -1.26 -4.53 118.16 130.27 2a3s n LYS 45 Ca -0.17 -3.20 -0.01 0.00 -2.02 0.00 0.00 58.31 52.91 2a3s n LYS 45 Cb 0.61 -2.70 -0.00 0.00 -0.02 0.00 0.00 35.03 32.92 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 46 N 2.21 -0.30 0.13 0.72 0.00 -1.26 -4.55 105.19 102.14 2a3s n GLY 46 Ca 0.64 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.64 0.56 0.07 1.61 4.27 -1.26 -2.52 117.44 117.53 2a3s n TRP 47 Ca -0.01 0.29 -0.05 0.00 -3.89 0.00 0.00 57.50 53.84 2a3s n TRP 47 Cb 0.03 -0.93 -0.03 0.00 -1.36 0.00 0.00 31.31 29.02 2a3s n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2a3s h GLN 48 N 0.00 -0.26 0.00 -2.67 5.75 -1.85 -0.52 115.11 115.56 2a3s h GLN 48 Ca 0.00 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2a3s h GLN 48 Cb 0.09 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2a3s h GLN 48 CO 0.00 -0.17 -0.30 -0.91 -2.65 0.00 0.00 178.83 174.80 2a3s h ASN 49 N -0.27 0.00 0.66 -0.69 4.21 -1.81 -3.28 115.58 114.40 2a3s h ASN 49 Ca -0.01 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2a3s h ASN 49 Cb 0.24 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2a3s h ASN 49 CO -0.04 0.30 -0.43 -1.28 -1.29 0.00 0.00 177.43 174.70 2a3s h SER 50 N 0.00 -1.09 -0.60 5.81 0.87 -1.16 -0.80 113.55 116.58 2a3s h SER 50 Ca -0.00 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.71 2a3s h SER 50 Cb 0.84 0.32 -0.11 0.00 -0.44 0.00 0.00 62.40 63.01 2a3s h SER 50 CO 0.04 -0.64 -0.46 0.40 -0.53 0.00 0.00 176.83 175.63 2a3s h ILE 51 N -1.02 0.06 -0.81 2.23 5.03 -1.16 2.18 117.51 124.02 2a3s h ILE 51 Ca -0.09 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.83 2a3s h ILE 51 Cb 0.83 0.06 -0.11 0.00 -3.03 0.00 0.00 36.82 34.57 2a3s h ILE 51 CO 0.07 0.00 0.31 -0.09 -0.68 0.00 0.00 178.15 177.76 2a3s h ARG 52 N -0.23 0.39 -0.02 2.37 1.12 -1.60 0.94 114.38 117.35 2a3s h ARG 52 Ca 0.17 -0.02 -0.17 0.00 -1.11 0.00 0.00 59.98 58.84 2a3s h ARG 52 Cb 0.56 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2a3s h ARG 52 CO -0.71 0.25 -0.76 1.25 -3.11 0.00 0.00 179.97 176.90 2a3s h HIS 53 N 0.40 0.23 -0.12 2.20 2.76 0.14 -3.22 115.15 117.54 2a3s h HIS 53 Ca 0.47 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.47 2a3s h HIS 53 Cb 0.80 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 2a3s h HIS 53 CO -0.18 0.86 -0.15 -0.91 -1.30 0.00 0.00 177.93 176.26 2a3s h ASN 54 N 0.10 0.33 -0.01 3.26 2.35 0.72 -2.26 115.58 120.07 2a3s h ASN 54 Ca -0.02 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2a3s h ASN 54 Cb 1.34 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2a3s h ASN 54 CO 0.11 0.78 0.22 -0.07 -1.65 0.00 0.00 177.43 176.82 2a3s h LEU 55 N -0.10 0.00 0.00 1.61 3.38 0.66 -0.15 115.31 120.70 2a3s h LEU 55 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2a3s h LEU 55 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2a3s h LEU 55 CO 0.04 0.00 -0.78 -0.24 0.09 0.00 0.00 178.44 177.55 2a3s n SER 56 N -3.00 1.83 0.33 -0.43 2.88 -1.08 -4.16 113.62 109.98 2a3s n SER 56 Ca -0.02 0.56 0.21 0.00 -1.33 0.00 0.00 58.87 58.29 2a3s n SER 56 Cb 0.28 -0.90 1.14 0.00 -0.75 0.00 0.00 64.21 63.98 2a3s n SER 56 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2a3s h LEU 57 N -1.00 0.00 -9.87 2.46 8.10 -1.13 -3.42 115.31 110.45 2a3s h LEU 57 Ca -0.12 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.39 2a3s h LEU 57 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 2a3s h LEU 57 CO -0.07 0.00 0.38 0.20 -4.11 0.00 0.00 178.44 174.84 2a3s s ASN 58 N -5.39 7.27 0.17 0.17 0.01 -0.09 -4.96 114.94 112.12 2a3s s ASN 58 Ca -0.05 1.96 0.22 0.00 -0.71 0.00 0.00 52.86 54.28 2a3s s ASN 58 Cb 0.13 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2a3s s ASN 58 CO 0.45 -0.12 0.98 -2.11 -1.51 0.00 0.00 177.10 174.78 2a3s n ARG 59 N 0.68 0.61 0.14 -0.60 1.85 -1.26 -4.03 116.66 114.05 2a3s n ARG 59 Ca 0.01 0.10 0.10 0.00 -1.00 0.00 0.00 57.85 57.06 2a3s n ARG 59 Cb 0.49 -1.80 0.05 0.00 -1.05 0.00 0.00 32.46 30.15 2a3s n ARG 59 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 2a3s h TYR 60 N 0.00 0.00 -3.40 2.89 -0.00 -1.93 -3.44 116.97 111.08 2a3s h TYR 60 Ca -0.01 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.12 2a3s h TYR 60 Cb 1.03 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 37.66 2a3s h TYR 60 CO 0.00 0.07 0.24 -0.06 -0.00 0.00 0.00 178.16 178.42 2a3s s PHE 61 N -3.25 3.33 0.39 0.10 0.08 -1.26 0.22 117.98 117.59 2a3s s PHE 61 Ca 0.02 0.97 0.08 0.00 0.12 0.00 0.00 56.93 58.11 2a3s s PHE 61 Cb 0.08 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2a3s s PHE 61 CO 0.75 -0.29 0.38 0.96 -0.10 0.00 0.00 175.22 176.91 2a3s s ILE 62 N 2.37 2.96 -0.07 0.64 -4.36 0.70 -4.82 121.20 118.62 2a3s s ILE 62 Ca 0.30 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2a3s s ILE 62 Cb -0.16 -3.06 0.02 0.00 1.25 0.00 0.00 42.46 40.52 2a3s s ILE 62 CO 0.09 -0.05 -0.06 -0.75 0.24 0.00 0.00 174.94 174.41 2a3s s LYS 63 N -4.12 1.18 -0.32 0.37 2.20 -1.26 -2.25 119.74 115.54 2a3s s LYS 63 Ca 0.47 -0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.84 2a3s s LYS 63 Cb -0.05 -1.19 0.03 0.00 -1.51 0.00 0.00 37.83 35.11 2a3s s LYS 63 CO 0.28 -0.14 0.08 0.14 -0.36 0.00 0.00 175.35 175.35 2a3s s VAL 64 N 1.25 3.71 0.00 4.02 -7.23 -1.11 -5.01 120.40 116.02 2a3s s VAL 64 Ca -0.05 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2a3s s VAL 64 Cb -0.14 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2a3s s VAL 64 CO -0.02 -0.11 0.03 -0.81 -0.31 0.00 0.00 175.10 173.88 2a3s n PRO 65 N 4.80 0.00 -3.03 4.82 -0.04 -1.26 -3.27 135.00 137.01 2a3s n PRO 65 Ca -0.13 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.88 2a3s n PRO 65 Cb 0.45 -0.37 -0.03 0.00 -0.04 0.00 0.00 33.50 33.51 2a3s n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2a3s s ARG 66 N -0.06 3.46 -0.40 0.54 0.52 -1.26 -4.76 118.95 116.99 2a3s s ARG 66 Ca 0.00 -1.75 0.06 0.00 -0.52 0.00 0.00 55.73 53.52 2a3s s ARG 66 Cb 0.00 -4.65 0.21 0.00 0.52 0.00 0.00 34.95 31.03 2a3s s ARG 66 CO 0.00 -1.64 0.43 0.43 0.02 0.00 0.00 175.30 174.54 2a3s n SER 67 N 6.10 -0.27 -3.74 0.23 7.64 -1.26 -5.10 113.62 117.22 2a3s n SER 67 Ca 0.14 -2.53 -0.13 0.00 1.01 0.00 0.00 58.87 57.35 2a3s n SER 67 Cb 0.47 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 2a3s n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3s s GLN 68 N -0.47 0.57 0.00 1.43 0.00 -1.26 -5.02 119.66 114.90 2a3s s GLN 68 Ca 0.34 0.24 0.14 0.00 -0.00 0.00 0.00 55.36 56.07 2a3s s GLN 68 Cb 0.10 0.26 0.33 0.00 0.00 0.00 0.00 33.01 33.71 2a3s s GLN 68 CO -0.16 -0.12 1.25 0.39 0.00 0.00 0.00 175.29 176.65 2a3s n GLU 69 N 2.14 2.49 0.00 9.60 1.02 -1.26 -4.89 120.64 129.74 2a3s n GLU 69 Ca -0.17 -2.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 2a3s n GLU 69 Cb 0.57 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2a3s n GLU 69 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2a3s n GLU 70 N 0.78 0.00 -1.94 3.49 -0.58 -1.26 -5.03 120.64 116.10 2a3s n GLU 70 Ca 0.13 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.46 2a3s n GLU 70 Cb 0.45 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.30 2a3s n GLU 70 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2a3s n PRO 71 N 0.00 2.59 -1.86 3.49 -0.04 -1.26 -4.97 135.00 132.96 2a3s n PRO 71 Ca 0.00 -2.67 -0.39 0.00 -0.04 0.00 0.00 63.50 60.40 2a3s n PRO 71 Cb 0.00 -3.34 0.02 0.00 -0.04 0.00 0.00 33.50 30.14 2a3s n PRO 71 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2a3s s GLY 72 N 4.20 2.89 0.21 0.55 0.00 -1.26 -4.91 107.32 109.00 2a3s s GLY 72 Ca 0.53 1.33 -0.07 0.00 0.00 0.00 0.00 44.72 46.51 2a3s s GLY 72 CO 0.02 1.88 0.41 0.28 0.00 0.00 0.00 173.10 175.69 2a3s n LYS 73 N -0.61 0.59 0.00 2.90 5.02 -1.26 -5.15 118.16 119.64 2a3s n LYS 73 Ca 0.08 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 2a3s n LYS 73 Cb 0.44 1.53 0.00 0.00 -0.02 0.00 0.00 35.03 36.98 2a3s n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 74 N -0.30 -2.98 3.97 0.72 0.00 -1.26 -5.01 105.19 100.33 2a3s n GLY 74 Ca -0.04 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.86 5.28 -0.07 1.61 0.01 -1.26 -4.95 113.70 112.46 2a3s s SER 75 Ca 0.00 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.54 2a3s s SER 75 Cb 0.00 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.95 2a3s s SER 75 CO 0.00 -0.90 0.17 0.12 0.41 0.00 0.00 173.24 173.04 2a3s s PHE 76 N -2.49 -0.20 0.25 2.43 2.19 -1.20 -4.82 117.98 114.13 2a3s s PHE 76 Ca 0.53 0.51 -0.09 0.00 0.33 0.00 0.00 56.93 58.21 2a3s s PHE 76 Cb -0.07 -0.01 -0.07 0.00 -1.31 0.00 0.00 43.02 41.57 2a3s s PHE 76 CO 0.32 -0.15 0.56 -1.58 1.83 0.00 0.00 175.22 176.21 2a3s s TRP 77 N 0.79 3.43 0.01 10.12 0.52 0.60 -2.77 118.94 131.64 2a3s s TRP 77 Ca -0.06 0.86 -0.29 0.00 0.02 0.00 0.00 56.10 56.64 2a3s s TRP 77 Cb -0.08 -2.26 0.07 0.00 -1.15 0.00 0.00 33.47 30.06 2a3s s TRP 77 CO -0.04 0.24 0.66 0.50 0.02 0.00 0.00 176.95 178.33 2a3s s ARG 78 N -2.94 1.11 0.10 4.98 3.52 -0.95 0.99 118.95 125.75 2a3s s ARG 78 Ca 0.47 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 2a3s s ARG 78 Cb -0.11 0.52 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 2a3s s ARG 78 CO 0.22 -0.39 0.05 -1.50 -0.81 0.00 0.00 175.30 172.87 2a3s s ILE 79 N -1.89 4.27 0.35 4.11 2.07 -1.18 0.25 121.20 129.18 2a3s s ILE 79 Ca -0.08 -0.93 -0.28 0.00 -1.41 0.00 0.00 60.65 57.95 2a3s s ILE 79 Cb -0.00 -3.07 -0.11 0.00 0.13 0.00 0.00 42.46 39.41 2a3s s ILE 79 CO 0.04 0.08 1.48 -0.67 -1.91 0.00 0.00 174.94 173.96 2a3s n ASP 80 N 0.37 3.65 0.07 4.50 2.03 0.60 -4.84 116.55 122.93 2a3s n ASP 80 Ca -0.09 1.21 -0.21 0.00 0.52 0.00 0.00 54.79 56.21 2a3s n ASP 80 Cb 0.52 -1.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.19 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2a3s h PRO 81 N 3.31 0.47 0.00 -0.67 0.13 -1.97 -0.76 132.00 132.51 2a3s h PRO 81 Ca -0.49 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 2a3s h PRO 81 Cb 1.24 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2a3s h PRO 81 CO 0.67 1.29 0.00 0.00 -0.23 0.00 0.00 178.00 179.73 2a3s h ALA 82 N 0.21 1.00 0.00 -0.56 0.00 -2.00 -1.77 119.26 116.14 2a3s h ALA 82 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2a3s h ALA 82 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2a3s h ALA 82 CO 0.19 0.00 -1.21 0.43 0.00 0.00 0.00 179.25 178.66 2a3s n SER 83 N -3.02 0.77 0.21 0.00 7.64 -1.21 -4.49 113.62 113.51 2a3s n SER 83 Ca 0.00 -0.75 -0.10 0.00 1.01 0.00 0.00 58.87 59.03 2a3s n SER 83 Cb 0.26 1.24 -0.05 0.00 -1.01 0.00 0.00 64.21 64.64 2a3s n SER 83 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2a3s h GLU 84 N 0.00 -0.58 -0.94 1.43 5.08 -0.19 1.04 114.58 120.41 2a3s h GLU 84 Ca 0.00 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.67 2a3s h GLU 84 Cb 0.60 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2a3s h GLU 84 CO 0.00 -0.39 0.96 0.00 -1.00 0.00 0.00 179.01 178.58 2a3s h ALA 85 N -1.46 2.80 0.00 3.43 0.00 -1.79 0.31 119.26 122.55 2a3s h ALA 85 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2a3s h ALA 85 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2a3s h ALA 85 CO 0.03 -1.44 -0.07 -0.22 0.00 0.00 0.00 179.25 177.55 2a3s h LYS 86 N 0.00 0.00 0.20 0.00 3.64 -1.06 -3.26 116.57 116.09 2a3s h LYS 86 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2a3s h LYS 86 Cb 2.36 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.15 2a3s h LYS 86 CO -0.00 0.00 -0.45 1.37 -2.27 0.00 0.00 179.45 178.10 2a3s h LEU 87 N -0.74 -1.31 -1.73 5.20 -0.00 0.25 -0.32 115.31 116.67 2a3s h LEU 87 Ca 0.00 0.13 0.51 0.00 -0.00 0.00 0.00 57.88 58.52 2a3s h LEU 87 Cb 0.07 0.47 -0.10 0.00 -0.00 0.00 0.00 40.66 41.09 2a3s h LEU 87 CO 0.00 -0.51 1.15 -0.37 -0.00 0.00 0.00 178.44 178.71 2a3s h VAL 88 N -0.71 0.05 -0.79 0.15 -1.51 -1.21 0.99 116.25 113.22 2a3s h VAL 88 Ca -0.02 -0.01 0.10 0.00 -1.23 0.00 0.00 66.70 65.54 2a3s h VAL 88 Cb 0.68 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 29.80 2a3s h VAL 88 CO -0.19 0.00 0.44 -0.08 -1.23 0.00 0.00 177.57 176.51 2a3s h GLU 89 N 0.02 0.71 -0.21 5.19 4.57 -1.09 0.50 114.58 124.27 2a3s h GLU 89 Ca 0.88 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 59.02 2a3s h GLU 89 Cb 3.23 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 31.66 2a3s h GLU 89 CO -0.21 0.47 0.00 0.94 -1.18 0.00 0.00 179.01 179.03 2a3s n GLN 90 N -4.78 1.81 0.00 1.92 7.27 0.34 -4.37 117.38 119.56 2a3s n GLN 90 Ca 0.13 -1.22 0.00 0.00 0.07 0.00 0.00 57.00 55.98 2a3s n GLN 90 Cb 0.28 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a3s n ALA 91 N 0.45 -0.14 -1.58 1.69 0.00 0.18 -4.18 120.51 116.92 2a3s n ALA 91 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 2a3s n ALA 91 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 2a3s n ALA 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2a3s n PHE 92 N -1.89 2.14 -3.08 0.00 3.72 -1.20 -4.62 117.46 112.53 2a3s n PHE 92 Ca 0.00 -1.49 0.04 0.00 -0.05 0.00 0.00 57.45 55.95 2a3s n PHE 92 Cb 0.00 -2.14 -0.00 0.00 -0.94 0.00 0.00 39.48 36.40 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2a3s s ARG 93 N 6.00 0.36 0.00 -1.08 3.52 -1.26 -5.08 118.95 121.41 2a3s s ARG 93 Ca 0.65 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2a3s s ARG 93 Cb 0.06 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2a3s s ARG 93 CO 0.15 -0.60 0.00 1.17 -0.81 0.00 0.00 175.30 175.20 2a3s n LYS 94 N 4.82 -0.46 -4.31 5.12 4.81 -1.26 -5.00 118.16 121.88 2a3s n LYS 94 Ca 0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.33 2a3s n LYS 94 Cb 0.58 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.49 2a3s n LYS 94 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2a3s s ARG 95 N -1.57 0.84 0.00 1.64 0.52 -1.26 -5.11 118.95 114.01 2a3s s ARG 95 Ca 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2a3s s ARG 95 Cb 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.65 2a3s s ARG 95 CO 0.00 0.20 0.00 0.54 0.02 0.00 0.00 175.30 176.06 2a3s n ARG 96 N 1.99 0.78 -4.35 3.54 5.12 -1.26 -5.13 116.66 117.35 2a3s n ARG 96 Ca -0.18 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.49 2a3s n ARG 96 Cb 0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.78 2a3s n ARG 96 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2a3s n GLN 97 N -0.80 0.61 0.00 5.56 6.02 -1.26 -5.08 117.38 122.43 2a3s n GLN 97 Ca 0.00 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.62 2a3s n GLN 97 Cb 0.00 1.75 0.00 0.00 1.02 0.00 0.00 30.24 33.01 2a3s n GLN 97 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2a3s n ARG 98 N -0.92 0.00 0.00 -1.09 0.63 -1.26 -5.15 116.66 108.87 2a3s n ARG 98 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2a3s n ARG 98 Cb 0.60 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 33.32 2a3s n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2a3s n GLY 99 N 1.00 3.99 3.38 5.14 0.00 -1.26 -5.06 105.19 112.38 2a3s n GLY 99 Ca 0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 2a3s n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3s s VAL 100 N 0.14 5.61 0.00 1.61 1.01 -1.26 -5.29 120.40 122.21 2a3s s VAL 100 Ca 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 58.96 2a3s s VAL 100 Cb 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2a3s s VAL 100 CO 0.00 -1.33 0.00 -0.24 0.00 0.00 0.00 175.10 173.53