#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 0.38 -0.07 1.62 7.64 -1.26 -4.71 113.62 117.21 2a3s n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 2a3s n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2a3s n SER 2 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2a3s h LYS 3 N 0.00 0.00 -0.03 1.43 3.11 -1.97 -3.37 116.57 115.74 2a3s h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2a3s h LYS 3 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2a3s h LYS 3 CO 0.00 0.99 0.00 -0.35 -2.81 0.00 0.00 179.45 177.28 2a3s n PRO 4 N -4.59 1.22 -0.05 1.90 -0.04 -1.26 -4.41 135.00 127.77 2a3s n PRO 4 Ca -0.13 -0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.01 2a3s n PRO 4 Cb 0.50 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2a3s n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2a3s h PRO 5 N 0.70 0.00 -5.01 0.54 0.13 -1.84 -3.43 132.00 123.08 2a3s h PRO 5 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2a3s h PRO 5 Cb 0.15 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.10 2a3s h PRO 5 CO 0.00 0.00 0.09 0.71 -0.23 0.00 0.00 178.00 178.57 2a3s s TYR 6 N -1.60 3.03 0.69 1.56 2.02 -1.26 -3.38 117.35 118.39 2a3s s TYR 6 Ca -0.02 -0.53 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 2a3s s TYR 6 Cb 0.00 -3.61 0.15 0.00 -0.40 0.00 0.00 41.96 38.10 2a3s s TYR 6 CO 0.03 -1.08 0.33 0.43 -1.57 0.00 0.00 175.55 173.69 2a3s n SER 7 N 6.28 -2.55 -1.70 2.29 7.64 -1.26 -4.57 113.62 119.76 2a3s n SER 7 Ca -0.06 -0.33 0.09 0.00 1.01 0.00 0.00 58.87 59.57 2a3s n SER 7 Cb 0.45 -0.50 0.38 0.00 -1.01 0.00 0.00 64.21 63.53 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 -3.94 1.69 -0.01 1.43 4.01 -1.26 -2.41 117.16 116.68 2a3s n TYR 8 Ca 0.05 -0.65 -0.02 0.00 -0.16 0.00 0.00 57.90 57.12 2a3s n TYR 8 Cb 0.23 -0.34 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.96 1.94 -0.02 -0.72 0.00 -1.26 -4.40 120.51 117.01 2a3s n ALA 9 Ca 0.27 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 2a3s n ALA 9 Cb 1.00 0.37 -0.14 0.00 0.00 0.00 0.00 19.45 20.68 2a3s n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3s n GLN 10 N -2.43 0.65 -0.29 0.00 10.64 -1.26 -3.20 117.38 121.48 2a3s n GLN 10 Ca -0.04 0.28 0.04 0.00 -1.83 0.00 0.00 57.00 55.44 2a3s n GLN 10 Cb 0.56 -1.77 0.25 0.00 -0.86 0.00 0.00 30.24 28.42 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2a3s h LEU 11 N 0.01 0.89 0.04 2.61 5.85 -1.72 -1.32 115.31 121.66 2a3s h LEU 11 Ca -0.32 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2a3s h LEU 11 Cb 2.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2a3s h LEU 11 CO 0.08 0.58 -0.02 0.40 -0.34 0.00 0.00 178.44 179.13 2a3s h ILE 12 N 1.01 1.16 -1.01 4.05 1.08 -1.77 -2.56 117.51 119.49 2a3s h ILE 12 Ca 0.38 -0.64 0.29 0.00 -0.39 0.00 0.00 64.86 64.50 2a3s h ILE 12 Cb 0.18 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 2a3s h ILE 12 CO -0.14 0.16 0.74 0.58 -0.69 0.00 0.00 178.15 178.81 2a3s h VAL 13 N -0.33 0.47 0.00 1.67 2.07 -1.23 2.44 116.25 121.34 2a3s h VAL 13 Ca -0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 2a3s h VAL 13 Cb 0.30 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2a3s h VAL 13 CO 0.01 0.00 -0.58 1.56 0.02 0.00 0.00 177.57 178.58 2a3s h GLN 14 N 0.00 0.00 -0.01 1.57 4.20 -0.97 0.86 115.11 120.75 2a3s h GLN 14 Ca 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 2a3s h GLN 14 Cb 1.95 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.73 2a3s h GLN 14 CO -0.01 0.58 -0.01 0.00 -0.67 0.00 0.00 178.83 178.72 2a3s h ALA 15 N 1.42 0.02 0.15 3.87 0.00 0.43 -2.64 119.26 122.50 2a3s h ALA 15 Ca -0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 2a3s h ALA 15 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2a3s h ALA 15 CO 0.08 -0.21 -1.54 -0.84 0.00 0.00 0.00 179.25 176.74 2a3s h ILE 16 N -0.48 1.17 -0.02 0.00 -0.00 -1.22 0.14 117.51 117.10 2a3s h ILE 16 Ca 0.00 -2.76 0.01 0.00 -0.00 0.00 0.00 64.86 62.11 2a3s h ILE 16 Cb 0.54 2.82 -0.00 0.00 -0.00 0.00 0.00 36.82 40.17 2a3s h ILE 16 CO 0.00 0.83 0.07 0.28 -0.00 0.00 0.00 178.15 179.34 2a3s h SER 17 N 0.09 0.00 -0.00 2.16 0.02 0.64 0.77 113.55 117.23 2a3s h SER 17 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2a3s h SER 17 Cb 2.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.59 2a3s h SER 17 CO 0.18 0.00 -0.51 -0.24 -1.14 0.00 0.00 176.83 175.13 2a3s n SER 18 N -3.28 0.54 -4.64 3.07 2.88 -1.00 -5.01 113.62 106.18 2a3s n SER 18 Ca -0.02 -0.77 -0.31 0.00 -1.33 0.00 0.00 58.87 56.44 2a3s n SER 18 Cb 0.15 0.99 0.17 0.00 -0.75 0.00 0.00 64.21 64.77 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 -1.23 -1.07 -0.43 -1.46 0.00 0.48 -4.90 120.51 111.90 2a3s n ALA 19 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2a3s n ALA 19 Cb 0.17 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2a3s n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3s n GLN 20 N -4.20 0.00 0.00 0.00 1.13 -1.26 -4.28 117.38 108.77 2a3s n GLN 20 Ca 0.11 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 2a3s n GLN 20 Cb 0.52 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2a3s n GLN 20 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2a3s n ASP 21 N -2.01 0.00 0.00 1.08 9.92 -1.26 -4.99 116.55 119.29 2a3s n ASP 21 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2a3s n ASP 21 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a3s n ARG 22 N -2.01 0.00 -3.74 -1.24 1.85 -1.26 -4.93 116.66 105.32 2a3s n ARG 22 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2a3s n ARG 22 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 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 0.41 0.15 2.89 -2.07 -1.26 -3.09 119.66 116.68 2a3s s GLN 23 Ca 0.00 0.53 0.04 0.00 -1.82 0.00 0.00 55.36 54.10 2a3s s GLN 23 Cb 0.00 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 2a3s s GLN 23 CO 0.00 -0.07 -0.08 -0.48 -1.32 0.00 0.00 175.29 173.35 2a3s s LEU 24 N 0.35 2.46 0.87 2.60 -0.00 0.56 -4.81 118.68 120.72 2a3s s LEU 24 Ca -0.01 -1.04 -0.13 0.00 -0.00 0.00 0.00 54.13 52.94 2a3s s LEU 24 Cb -0.03 -0.27 0.13 0.00 -0.00 0.00 0.00 46.19 46.01 2a3s s LEU 24 CO -0.01 -0.39 1.22 0.42 -0.00 0.00 0.00 176.35 177.59 2a3s s THR 25 N -3.42 1.99 0.32 5.48 -4.23 -1.26 0.16 115.64 114.68 2a3s s THR 25 Ca 0.18 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 2a3s s THR 25 Cb 0.04 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.21 2a3s s THR 25 CO 0.01 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.11 2a3s h LEU 26 N -1.30 0.73 -3.91 4.79 6.46 -1.92 0.30 115.31 120.46 2a3s h LEU 26 Ca -0.46 0.10 -0.53 0.00 -0.12 0.00 0.00 57.88 56.88 2a3s h LEU 26 Cb 1.30 -0.03 -0.29 0.00 -0.73 0.00 0.00 40.66 40.91 2a3s h LEU 26 CO 0.56 0.23 0.67 -1.20 -0.62 0.00 0.00 178.44 178.08 2a3s n SER 27 N -4.77 4.61 -0.11 1.25 7.64 -1.26 -4.16 113.62 116.82 2a3s n SER 27 Ca 0.24 -3.57 -0.13 0.00 1.01 0.00 0.00 58.87 56.42 2a3s n SER 27 Cb 0.63 -0.86 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3s n GLY 28 N -1.00 -0.70 0.10 0.23 0.00 0.11 -3.93 105.19 99.99 2a3s n GLY 28 Ca 0.58 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.85 0.51 -0.61 2.10 -1.72 0.21 117.51 118.84 2a3s h ILE 29 Ca -0.55 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 2a3s h ILE 29 Cb 2.07 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 2a3s h ILE 29 CO -0.02 0.00 -0.24 1.88 -1.08 0.00 0.00 178.15 178.69 2a3s h TYR 30 N 0.02 -0.63 -0.21 2.19 0.05 -1.83 -1.45 116.97 115.11 2a3s h TYR 30 Ca 0.08 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.91 2a3s h TYR 30 Cb 0.12 0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 2a3s h TYR 30 CO -0.18 -0.31 0.28 0.00 -1.05 0.00 0.00 178.16 176.90 2a3s h ALA 31 N -0.79 1.77 0.09 3.88 0.00 -1.66 -0.42 119.26 122.13 2a3s h ALA 31 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2a3s h ALA 31 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2a3s h ALA 31 CO 0.11 -0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.18 2a3s h HIS 32 N 0.00 -0.11 -0.67 0.00 -0.00 -0.30 -3.32 115.15 110.75 2a3s h HIS 32 Ca 0.10 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.62 2a3s h HIS 32 Cb 0.67 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 2a3s h HIS 32 CO 0.00 -0.07 0.46 -0.84 -0.00 0.00 0.00 177.93 177.48 2a3s h ILE 33 N -0.69 0.77 0.00 6.26 -0.00 -1.01 0.23 117.51 123.08 2a3s h ILE 33 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 2a3s h ILE 33 Cb 0.09 0.50 0.00 0.00 -0.00 0.00 0.00 36.82 37.41 2a3s h ILE 33 CO 0.02 0.05 0.15 0.71 -0.00 0.00 0.00 178.15 179.07 2a3s h THR 34 N 0.25 0.00 0.00 0.16 1.35 -1.18 1.02 112.91 114.51 2a3s h THR 34 Ca 0.32 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.10 2a3s h THR 34 Cb 0.91 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2a3s h THR 34 CO -0.07 0.00 -0.50 0.50 -0.25 0.00 0.00 175.52 175.20 2a3s h LYS 35 N 0.00 0.00 0.00 4.72 3.11 -0.64 -3.39 116.57 120.37 2a3s h LYS 35 Ca 0.00 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.62 2a3s h LYS 35 Cb 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 2a3s h LYS 35 CO 0.00 0.35 -1.63 0.72 -2.81 0.00 0.00 179.45 176.07 2a3s n HIS 36 N -3.14 0.00 -3.51 1.91 8.25 0.21 -4.89 115.22 114.04 2a3s n HIS 36 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2a3s n HIS 36 Cb 0.69 -0.56 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.40 3.29 0.07 4.41 2.02 0.29 -4.92 117.35 120.12 2a3s s TYR 37 Ca -0.23 -1.20 0.12 0.00 -0.37 0.00 0.00 57.07 55.38 2a3s s TYR 37 Cb 0.08 -2.98 0.10 0.00 -0.40 0.00 0.00 41.96 38.76 2a3s s TYR 37 CO 0.31 -0.80 1.45 -1.00 -1.57 0.00 0.00 175.55 173.94 2a3s h PRO 38 N 8.56 0.00 -0.00 -1.71 0.13 -1.79 -3.15 132.00 134.03 2a3s h PRO 38 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2a3s h PRO 38 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2a3s h PRO 38 CO 0.80 0.70 0.00 -0.92 -0.23 0.00 0.00 178.00 178.35 2a3s h TYR 39 N 0.00 0.00 -1.60 1.56 3.20 -1.94 -3.21 116.97 114.98 2a3s h TYR 39 Ca -0.01 0.00 -0.75 0.00 3.14 0.00 0.00 58.73 61.11 2a3s h TYR 39 Cb 1.41 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.52 2a3s h TYR 39 CO 0.00 0.00 1.84 0.66 -1.64 0.00 0.00 178.16 179.02 2a3s n TYR 40 N -3.51 3.36 0.07 -3.82 4.01 -1.19 -4.29 117.16 111.79 2a3s n TYR 40 Ca -0.03 -2.91 0.00 0.00 -0.16 0.00 0.00 57.90 54.80 2a3s n TYR 40 Cb 0.08 -1.98 0.00 0.00 -0.31 0.00 0.00 39.34 37.13 2a3s n TYR 40 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2a3s n ARG 41 N 4.17 0.00 -0.77 -0.72 1.74 -1.21 -4.72 116.66 115.14 2a3s n ARG 41 Ca 0.39 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.45 2a3s n ARG 41 Cb 0.38 -0.25 -0.02 0.00 -1.02 0.00 0.00 32.46 31.55 2a3s n ARG 41 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2a3s n THR 42 N -3.31 0.00 0.08 0.55 -1.04 -1.26 -4.97 114.28 104.32 2a3s n THR 42 Ca 0.00 -0.13 -0.04 0.00 -2.04 0.00 0.00 64.05 61.84 2a3s n THR 42 Cb 0.06 0.36 -0.02 0.00 -1.82 0.00 0.00 70.33 68.92 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a3s h ALA 43 N 0.13 -0.34 -3.62 2.41 0.00 -1.94 -3.47 119.26 112.44 2a3s h ALA 43 Ca -0.19 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 2a3s h ALA 43 Cb 1.31 0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.94 2a3s h ALA 43 CO -0.07 -0.32 -0.74 -0.51 0.00 0.00 0.00 179.25 177.62 2a3s s ASP 44 N -4.44 0.45 -1.36 0.00 1.11 -1.26 -5.05 116.67 106.12 2a3s s ASP 44 Ca -0.04 -0.20 -0.09 0.00 0.18 0.00 0.00 52.55 52.41 2a3s s ASP 44 Cb 0.00 -0.01 0.10 0.00 1.07 0.00 0.00 42.92 44.08 2a3s s ASP 44 CO 0.11 -0.04 2.25 0.29 1.18 0.00 0.00 175.17 178.96 2a3s n LYS 45 N 2.56 3.90 -0.00 8.23 4.01 -1.26 -4.49 118.16 131.09 2a3s n LYS 45 Ca -0.16 -3.22 0.10 0.00 -0.51 0.00 0.00 58.31 54.53 2a3s n LYS 45 Cb 0.58 -2.84 -0.13 0.00 -0.51 0.00 0.00 35.03 32.12 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2a3s n GLY 46 N 2.67 -0.93 0.00 0.72 0.00 -1.26 -4.54 105.19 101.85 2a3s n GLY 46 Ca 0.55 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.75 0.00 0.00 1.61 4.27 -1.26 -4.70 117.44 115.60 2a3s n TRP 47 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 2a3s n TRP 47 Cb 0.40 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 2a3s n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2a3s n GLN 48 N -0.36 0.00 0.26 -2.67 -0.00 -1.26 -0.61 117.38 112.74 2a3s n GLN 48 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.00 57.14 2a3s n GLN 48 Cb 0.03 -0.07 0.69 0.00 -0.00 0.00 0.00 30.24 30.89 2a3s n GLN 48 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2a3s h ASN 49 N 0.00 0.00 -0.90 2.61 4.21 -1.93 -2.47 115.58 117.10 2a3s h ASN 49 Ca 0.00 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.69 2a3s h ASN 49 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 2a3s h ASN 49 CO 0.00 0.12 0.58 -1.28 -1.29 0.00 0.00 177.43 175.56 2a3s h SER 50 N 0.00 0.54 0.02 5.81 0.87 -1.82 0.10 113.55 119.08 2a3s h SER 50 Ca -0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2a3s h SER 50 Cb 0.45 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2a3s h SER 50 CO 0.02 0.24 -0.03 0.40 -0.53 0.00 0.00 176.83 176.93 2a3s h ILE 51 N 0.56 0.00 -1.01 2.23 5.03 -0.36 2.47 117.51 126.42 2a3s h ILE 51 Ca 0.47 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 65.46 2a3s h ILE 51 Cb 0.95 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.66 2a3s h ILE 51 CO -0.21 0.00 0.67 -0.09 -0.68 0.00 0.00 178.15 177.84 2a3s h ARG 52 N -0.05 0.33 -0.06 2.37 1.12 -1.59 1.12 114.38 117.62 2a3s h ARG 52 Ca -0.00 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.71 2a3s h ARG 52 Cb 0.04 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2a3s h ARG 52 CO -0.00 0.22 -0.58 1.25 -3.11 0.00 0.00 179.97 177.74 2a3s h HIS 53 N 0.34 0.25 -0.10 2.20 2.76 0.12 -2.91 115.15 117.81 2a3s h HIS 53 Ca 0.55 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.50 2a3s h HIS 53 Cb 1.49 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 2a3s h HIS 53 CO -0.00 0.73 -0.50 -0.91 -1.30 0.00 0.00 177.93 175.95 2a3s h ASN 54 N 0.15 0.30 0.28 3.26 2.35 1.29 -2.39 115.58 120.82 2a3s h ASN 54 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2a3s h ASN 54 Cb 1.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2a3s h ASN 54 CO 0.09 0.76 0.00 0.18 -1.65 0.00 0.00 177.43 176.81 2a3s n LEU 55 N -3.95 0.00 -0.05 1.61 4.77 -0.15 -1.26 117.00 117.97 2a3s n LEU 55 Ca -0.02 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 2a3s n LEU 55 Cb 0.55 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 2a3s n LEU 55 CO 0.43 -0.23 -0.57 0.28 -1.33 0.00 0.00 177.39 175.98 2a3s h SER 56 N 0.00 0.21 1.04 -1.43 0.02 -1.47 -3.37 113.55 108.54 2a3s h SER 56 Ca 0.00 -0.73 -0.18 0.00 -0.84 0.00 0.00 61.79 60.04 2a3s h SER 56 Cb 0.14 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2a3s h SER 56 CO 0.00 1.62 -0.84 -0.07 -1.14 0.00 0.00 176.83 176.40 2a3s h LEU 57 N -0.53 0.00 -9.93 5.07 4.07 -1.55 -3.45 115.31 108.99 2a3s h LEU 57 Ca -0.35 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.09 2a3s h LEU 57 Cb 1.62 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.42 2a3s h LEU 57 CO -0.06 0.84 0.55 0.20 -1.08 0.00 0.00 178.44 178.90 2a3s s ASN 58 N -6.67 6.49 -0.06 -0.43 0.01 -0.39 -4.95 114.94 108.95 2a3s s ASN 58 Ca 0.01 2.49 0.12 0.00 -0.71 0.00 0.00 52.86 54.77 2a3s s ASN 58 Cb 0.10 -2.63 -0.23 0.00 0.41 0.00 0.00 41.25 38.90 2a3s s ASN 58 CO 0.79 -0.71 0.59 -1.14 -1.51 0.00 0.00 177.10 175.13 2a3s n ARG 59 N 0.21 0.64 0.20 -0.60 3.00 -1.26 -4.12 116.66 114.73 2a3s n ARG 59 Ca 0.03 0.27 0.13 0.00 -0.00 0.00 0.00 57.85 58.28 2a3s n ARG 59 Cb 0.45 -1.76 0.27 0.00 0.00 0.00 0.00 32.46 31.41 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 -3.56 -0.14 -0.00 -1.95 -3.43 116.97 107.90 2a3s h TYR 60 Ca -0.32 0.00 -0.63 0.00 0.00 0.00 0.00 58.73 57.78 2a3s h TYR 60 Cb 2.04 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 38.63 2a3s h TYR 60 CO 0.00 0.00 0.19 -0.06 -0.00 0.00 0.00 178.16 178.30 2a3s s PHE 61 N -3.22 3.13 0.46 0.10 0.08 -1.26 0.25 117.98 117.52 2a3s s PHE 61 Ca 0.07 0.34 0.07 0.00 0.12 0.00 0.00 56.93 57.53 2a3s s PHE 61 Cb 0.07 -3.23 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2a3s s PHE 61 CO 0.64 -0.68 0.36 0.96 -0.10 0.00 0.00 175.22 176.39 2a3s s ILE 62 N 2.82 2.27 -0.18 0.64 -4.36 0.13 -4.80 121.20 117.72 2a3s s ILE 62 Ca 0.26 -1.45 -0.03 0.00 -0.26 0.00 0.00 60.65 59.16 2a3s s ILE 62 Cb -0.14 -2.72 0.06 0.00 1.25 0.00 0.00 42.46 40.91 2a3s s ILE 62 CO 0.16 0.00 0.04 -1.59 0.24 0.00 0.00 174.94 173.79 2a3s s LYS 63 N -4.14 0.53 -0.41 0.37 -2.85 -1.26 -1.57 119.74 110.40 2a3s s LYS 63 Ca 0.43 -0.32 -0.20 0.00 -1.00 0.00 0.00 55.97 54.88 2a3s s LYS 63 Cb -0.01 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.79 2a3s s LYS 63 CO 0.25 -0.63 0.59 0.14 0.10 0.00 0.00 175.35 175.81 2a3s s VAL 64 N 1.92 4.90 0.00 1.79 -7.23 -0.93 -4.98 120.40 115.88 2a3s s VAL 64 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2a3s s VAL 64 Cb -0.17 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.64 2a3s s VAL 64 CO -0.08 -0.49 0.00 -0.81 -0.31 0.00 0.00 175.10 173.41 2a3s n PRO 65 N 6.07 0.36 -3.82 4.82 -0.04 -1.26 -3.68 135.00 137.45 2a3s n PRO 65 Ca -0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 2a3s n PRO 65 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2a3s n PRO 65 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2a3s s ARG 66 N -1.70 1.46 -1.07 0.54 3.52 -1.26 -4.96 118.95 115.48 2a3s s ARG 66 Ca 0.00 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.67 2a3s s ARG 66 Cb 0.00 0.45 0.30 0.00 -1.56 0.00 0.00 34.95 34.13 2a3s s ARG 66 CO 0.00 -0.68 1.33 -1.13 -0.81 0.00 0.00 175.30 174.01 2a3s n SER 67 N -0.89 5.99 -4.83 -2.12 3.41 -1.26 -5.00 113.62 108.92 2a3s n SER 67 Ca -0.05 -3.30 -0.31 0.00 -0.26 0.00 0.00 58.87 54.94 2a3s n SER 67 Cb 0.60 -1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.24 2a3s n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2a3s s GLN 68 N -2.32 2.24 0.18 4.33 -0.21 -1.26 -5.15 119.66 117.46 2a3s s GLN 68 Ca 0.31 -2.32 0.02 0.00 0.02 0.00 0.00 55.36 53.39 2a3s s GLN 68 Cb 0.01 -1.71 0.02 0.00 1.00 0.00 0.00 33.01 32.33 2a3s s GLN 68 CO 0.04 -0.51 0.21 0.39 -2.12 0.00 0.00 175.29 173.29 2a3s n GLU 69 N -1.50 1.00 0.23 2.91 -0.58 -1.26 -5.03 120.64 116.41 2a3s n GLU 69 Ca -0.15 -0.99 -0.15 0.00 -0.42 0.00 0.00 57.16 55.45 2a3s n GLU 69 Cb 0.66 -0.01 -0.08 0.00 -0.57 0.00 0.00 31.44 31.44 2a3s n GLU 69 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2a3s h GLU 70 N 0.00 -0.53 -4.39 3.49 5.08 -2.01 -3.30 114.58 112.91 2a3s h GLU 70 Ca -0.09 0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 57.62 2a3s h GLU 70 Cb 0.39 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2a3s h GLU 70 CO 0.13 -0.28 2.84 -0.35 -1.00 0.00 0.00 179.01 180.35 2a3s n PRO 71 N -5.27 2.71 0.00 2.33 -0.04 -1.26 -4.43 135.00 129.04 2a3s n PRO 71 Ca -0.11 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 2a3s n PRO 71 Cb 0.27 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 4.40 -0.44 3.35 0.55 0.00 -1.24 -5.17 105.19 106.64 2a3s n GLY 72 Ca 0.51 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 2a3s n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3s s LYS 73 N 0.00 1.12 0.00 1.61 1.02 -1.26 -5.09 119.74 117.14 2a3s s LYS 73 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2a3s s LYS 73 Cb 0.00 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.75 2a3s s LYS 73 CO 0.00 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2a3s n GLY 74 N -0.22 -0.35 3.76 -3.33 0.00 -1.26 -5.00 105.19 98.79 2a3s n GLY 74 Ca -0.13 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.31 4.19 -0.31 1.61 0.01 -1.26 -4.98 113.70 111.64 2a3s s SER 75 Ca 0.00 -1.50 0.04 0.00 1.31 0.00 0.00 55.95 55.79 2a3s s SER 75 Cb 0.00 0.28 0.09 0.00 0.21 0.00 0.00 66.02 66.59 2a3s s SER 75 CO 0.00 -0.80 0.00 0.12 0.41 0.00 0.00 173.24 172.97 2a3s s PHE 76 N -2.81 3.55 0.21 2.43 2.19 -1.24 -3.95 117.98 118.35 2a3s s PHE 76 Ca 0.17 -2.76 -0.18 0.00 0.33 0.00 0.00 56.93 54.50 2a3s s PHE 76 Cb 0.03 -2.58 -0.08 0.00 -1.31 0.00 0.00 43.02 39.07 2a3s s PHE 76 CO 0.10 -0.92 0.68 -1.58 1.83 0.00 0.00 175.22 175.32 2a3s s TRP 77 N 0.99 3.62 0.37 10.12 0.52 0.41 -2.19 118.94 132.78 2a3s s TRP 77 Ca 0.05 1.30 -0.17 0.00 0.02 0.00 0.00 56.10 57.30 2a3s s TRP 77 Cb -0.19 -2.55 0.05 0.00 -1.15 0.00 0.00 33.47 29.63 2a3s s TRP 77 CO -0.08 0.35 0.78 -0.98 0.02 0.00 0.00 176.95 177.04 2a3s s ARG 78 N -2.03 2.15 0.20 4.98 1.70 -0.61 0.21 118.95 125.56 2a3s s ARG 78 Ca 0.42 -1.36 0.11 0.00 -0.47 0.00 0.00 55.73 54.44 2a3s s ARG 78 Cb -0.16 0.62 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2a3s s ARG 78 CO 0.20 -1.01 -0.22 -1.50 -1.08 0.00 0.00 175.30 171.69 2a3s s ILE 79 N -2.56 2.43 0.59 4.99 2.07 -1.18 0.21 121.20 127.75 2a3s s ILE 79 Ca 0.15 -2.04 -0.20 0.00 -1.41 0.00 0.00 60.65 57.15 2a3s s ILE 79 Cb -0.05 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.32 2a3s s ILE 79 CO 0.11 -0.14 1.28 -0.67 -1.91 0.00 0.00 174.94 173.60 2a3s n ASP 80 N 0.17 2.19 -0.01 4.50 2.03 0.70 -4.81 116.55 121.30 2a3s n ASP 80 Ca -0.12 0.90 -0.05 0.00 0.52 0.00 0.00 54.79 56.04 2a3s n ASP 80 Cb 0.56 -1.54 -0.04 0.00 -0.72 0.00 0.00 41.12 39.38 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 0.99 -0.09 0.00 -0.67 0.13 -1.96 -2.89 132.00 127.51 2a3s h PRO 81 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2a3s h PRO 81 Cb 1.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2a3s h PRO 81 CO 0.55 0.21 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 2a3s n ALA 82 N -2.71 1.34 1.01 -0.56 0.00 -1.26 -1.27 120.51 117.06 2a3s n ALA 82 Ca -0.04 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2a3s n ALA 82 Cb 0.16 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.20 1.04 0.32 0.00 7.64 -1.25 -4.45 113.62 114.72 2a3s n SER 83 Ca 0.00 -0.92 -0.18 0.00 1.01 0.00 0.00 58.87 58.78 2a3s n SER 83 Cb 0.13 0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.35 -0.93 -0.30 1.43 5.08 -0.96 0.15 114.58 119.40 2a3s h GLU 84 Ca 0.00 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2a3s h GLU 84 Cb 0.53 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2a3s h GLU 84 CO 0.00 -0.62 0.70 0.00 -1.00 0.00 0.00 179.01 178.09 2a3s h ALA 85 N -0.70 2.01 0.00 3.43 0.00 -1.78 -0.68 119.26 121.54 2a3s h ALA 85 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2a3s h ALA 85 Cb 0.81 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2a3s h ALA 85 CO 0.01 -0.85 -0.50 -0.22 0.00 0.00 0.00 179.25 177.69 2a3s h LYS 86 N 0.00 0.00 -0.12 0.00 3.64 -1.23 -3.36 116.57 115.51 2a3s h LYS 86 Ca 0.14 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2a3s h LYS 86 Cb 1.53 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 2a3s h LYS 86 CO -0.00 0.00 -0.34 1.37 -2.27 0.00 0.00 179.45 178.21 2a3s h LEU 87 N -1.00 -1.07 -1.97 5.20 -0.00 -0.08 0.19 115.31 116.59 2a3s h LEU 87 Ca -0.00 0.15 0.53 0.00 -0.00 0.00 0.00 57.88 58.56 2a3s h LEU 87 Cb 0.50 0.45 -0.07 0.00 -0.00 0.00 0.00 40.66 41.53 2a3s h LEU 87 CO -0.00 -0.38 1.34 -0.37 -0.00 0.00 0.00 178.44 179.03 2a3s h VAL 88 N -0.43 0.06 -0.54 0.15 -1.51 -1.37 0.73 116.25 113.35 2a3s h VAL 88 Ca 0.09 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.64 2a3s h VAL 88 Cb 0.57 0.06 -0.07 0.00 -2.13 0.00 0.00 31.29 29.72 2a3s h VAL 88 CO -0.36 0.00 0.17 -0.08 -1.23 0.00 0.00 177.57 176.07 2a3s h GLU 89 N 0.00 0.32 0.00 5.19 4.81 -0.75 0.40 114.58 124.55 2a3s h GLU 89 Ca 0.87 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.09 2a3s h GLU 89 Cb 3.55 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 32.86 2a3s h GLU 89 CO -0.01 0.21 -0.12 1.04 -0.73 0.00 0.00 179.01 179.40 2a3s n GLN 90 N -5.04 0.19 0.25 1.92 3.00 0.25 -2.13 117.38 115.81 2a3s n GLN 90 Ca 0.07 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 57.04 2a3s n GLN 90 Cb 0.25 -1.69 -0.08 0.00 0.00 0.00 0.00 30.24 28.71 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2a3s h ALA 91 N 2.67 -0.64 0.15 -1.58 0.00 0.47 -3.28 119.26 117.04 2a3s h ALA 91 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 2a3s h ALA 91 Cb 0.67 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2a3s h ALA 91 CO 0.00 -0.74 -1.43 0.74 0.00 0.00 0.00 179.25 177.82 2a3s h PHE 92 N -0.87 0.59 -2.84 0.00 0.04 -1.47 -3.45 116.94 108.93 2a3s h PHE 92 Ca -0.07 -0.43 -0.52 0.00 2.80 0.00 0.00 57.97 59.75 2a3s h PHE 92 Cb 0.58 -0.02 0.05 0.00 2.20 0.00 0.00 35.95 38.75 2a3s h PHE 92 CO 0.00 1.40 0.89 0.50 -0.60 0.00 0.00 178.31 180.50 2a3s s ARG 93 N -2.63 4.21 1.22 1.51 3.52 -0.91 -4.97 118.95 120.90 2a3s s ARG 93 Ca -0.07 2.39 -0.14 0.00 -0.13 0.00 0.00 55.73 57.78 2a3s s ARG 93 Cb 0.06 -3.14 0.31 0.00 -1.56 0.00 0.00 34.95 30.62 2a3s s ARG 93 CO 0.88 -0.62 1.01 0.21 -0.81 0.00 0.00 175.30 175.98 2a3s s LYS 94 N 1.04 -1.34 0.25 5.12 2.20 -1.26 -4.74 119.74 121.02 2a3s s LYS 94 Ca 0.70 0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 56.93 2a3s s LYS 94 Cb -0.44 -1.51 -0.08 0.00 -1.51 0.00 0.00 37.83 34.28 2a3s s LYS 94 CO 0.32 -3.99 0.70 0.50 -0.36 0.00 0.00 175.35 172.52 2a3s s ARG 95 N -4.43 4.10 -0.30 4.03 3.52 -1.22 -5.03 118.95 119.62 2a3s s ARG 95 Ca 0.69 0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 56.83 2a3s s ARG 95 Cb -0.25 -2.70 0.17 0.00 -1.56 0.00 0.00 34.95 30.61 2a3s s ARG 95 CO 0.65 0.31 1.19 0.50 -0.81 0.00 0.00 175.30 177.14 2a3s s ARG 96 N -2.41 0.06 0.24 5.12 6.06 -1.26 -5.04 118.95 121.72 2a3s s ARG 96 Ca 0.47 0.10 -0.31 0.00 -2.50 0.00 0.00 55.73 53.50 2a3s s ARG 96 Cb -0.14 0.06 -0.11 0.00 0.06 0.00 0.00 34.95 34.82 2a3s s ARG 96 CO 0.19 -0.07 1.56 -0.65 -2.50 0.00 0.00 175.30 173.83 2a3s s GLN 97 N 2.98 4.19 0.00 5.12 -0.21 -1.26 -4.62 119.66 125.86 2a3s s GLN 97 Ca -0.03 2.44 0.00 0.00 0.02 0.00 0.00 55.36 57.80 2a3s s GLN 97 Cb -0.08 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.85 2a3s s GLN 97 CO -0.10 -0.57 0.00 -2.13 -2.12 0.00 0.00 175.29 170.37 2a3s n ARG 98 N 2.87 0.00 -3.49 2.91 0.63 -1.26 -5.03 116.66 113.29 2a3s n ARG 98 Ca 0.10 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.67 2a3s n ARG 98 Cb 0.38 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.24 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 -0.91 4.42 2.79 5.14 0.00 -1.26 -4.99 105.19 110.38 2a3s n GLY 99 Ca 0.00 -2.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.09 2a3s n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a3s s VAL 100 N -1.82 0.86 0.00 1.61 -7.23 -1.26 -5.23 120.40 107.34 2a3s s VAL 100 Ca 0.31 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2a3s s VAL 100 Cb -0.01 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.55 2a3s s VAL 100 CO -0.07 -0.29 0.00 -0.24 -0.31 0.00 0.00 175.10 174.19