#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 0.86 -3.06 4.31 7.64 -1.26 -5.07 113.62 117.05 2a3s n SER 2 Ca 0.00 -1.20 -0.22 0.00 1.01 0.00 0.00 58.87 58.46 2a3s n SER 2 Cb 0.00 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.82 2.04 -2.50 1.43 2.85 -1.26 -5.05 118.16 114.84 2a3s n LYS 3 Ca 0.00 -4.07 -0.42 0.00 -1.05 0.00 0.00 58.31 52.77 2a3s n LYS 3 Cb 0.07 -1.95 -0.02 0.00 -0.65 0.00 0.00 35.03 32.48 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2a3s s PRO 4 N -2.93 3.53 0.55 -1.58 0.04 -1.26 -5.01 135.00 128.33 2a3s s PRO 4 Ca 0.44 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 2a3s s PRO 4 Cb 0.32 -4.02 0.12 0.00 0.04 0.00 0.00 34.50 30.96 2a3s s PRO 4 CO -0.11 -1.65 0.75 -0.35 0.04 0.00 0.00 177.00 175.68 2a3s n PRO 5 N 8.28 -0.27 -2.04 0.56 -0.04 -1.26 -5.09 135.00 135.14 2a3s n PRO 5 Ca 0.12 -1.61 -0.29 0.00 -0.04 0.00 0.00 63.50 61.68 2a3s n PRO 5 Cb 0.49 -0.63 0.20 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.35 1.27 0.41 0.54 2.02 -1.26 -4.95 117.35 113.03 2a3s s TYR 6 Ca 0.46 0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 57.05 2a3s s TYR 6 Cb -0.02 -4.09 -0.12 0.00 -0.40 0.00 0.00 41.96 37.33 2a3s s TYR 6 CO 0.31 -2.72 0.79 0.43 -1.57 0.00 0.00 175.55 172.79 2a3s n SER 7 N -3.74 0.23 -4.58 2.29 7.64 -1.26 -4.63 113.62 109.57 2a3s n SER 7 Ca 0.17 0.98 -0.18 0.00 1.01 0.00 0.00 58.87 60.85 2a3s n SER 7 Cb 0.59 -1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 2a3s n SER 7 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2a3s s TYR 8 N -1.35 1.38 0.00 1.43 2.02 -1.26 -1.44 117.35 118.13 2a3s s TYR 8 Ca 0.64 1.85 0.00 0.00 -0.37 0.00 0.00 57.07 59.18 2a3s s TYR 8 Cb -0.59 -3.50 0.00 0.00 -0.40 0.00 0.00 41.96 37.47 2a3s s TYR 8 CO 0.57 -0.90 0.00 0.00 -1.57 0.00 0.00 175.55 173.65 2a3s n ALA 9 N 18.33 0.00 -0.13 3.71 0.00 -1.26 -4.95 120.51 136.20 2a3s n ALA 9 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 2a3s n ALA 9 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 0.65 -0.01 0.00 4.15 -1.54 1.69 115.11 120.06 2a3s h GLN 10 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2a3s h GLN 10 Cb 0.00 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2a3s h GLN 10 CO 0.00 0.72 0.02 -0.07 -1.93 0.00 0.00 178.83 177.57 2a3s h LEU 11 N 0.50 0.00 0.00 -2.39 -0.00 -1.88 0.69 115.31 112.23 2a3s h LEU 11 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2a3s h LEU 11 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2a3s h LEU 11 CO 0.01 0.00 -0.61 -0.38 -0.00 0.00 0.00 178.44 177.46 2a3s n ILE 12 N -3.24 1.43 0.01 1.22 2.08 0.15 -2.57 119.36 118.44 2a3s n ILE 12 Ca -0.03 0.20 -0.13 0.00 0.56 0.00 0.00 62.75 63.35 2a3s n ILE 12 Cb 0.10 -2.37 -0.07 0.00 -0.75 0.00 0.00 39.64 36.55 2a3s n ILE 12 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2a3s h VAL 13 N -1.00 0.12 0.00 1.39 2.07 0.26 1.33 116.25 120.41 2a3s h VAL 13 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2a3s h VAL 13 Cb 0.61 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2a3s h VAL 13 CO -0.01 0.00 -0.05 -0.61 0.02 0.00 0.00 177.57 176.92 2a3s h GLN 14 N -0.52 0.00 0.17 1.57 4.15 -1.07 2.53 115.11 121.94 2a3s h GLN 14 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2a3s h GLN 14 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2a3s h GLN 14 CO -0.39 0.05 -0.08 0.00 -1.93 0.00 0.00 178.83 176.47 2a3s h ALA 15 N 1.95 -0.23 0.03 3.38 0.00 0.80 -2.68 119.26 122.51 2a3s h ALA 15 Ca -0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 2a3s h ALA 15 Cb 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2a3s h ALA 15 CO 0.01 -0.39 -1.48 0.82 0.00 0.00 0.00 179.25 178.20 2a3s h ILE 16 N -0.71 1.15 -0.81 0.00 2.04 0.18 -2.90 117.51 116.46 2a3s h ILE 16 Ca -0.02 -2.91 -0.02 0.00 1.00 0.00 0.00 64.86 62.90 2a3s h ILE 16 Cb 0.50 2.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 2a3s h ILE 16 CO 0.04 0.72 0.41 0.28 0.00 0.00 0.00 178.15 179.60 2a3s h SER 17 N 0.02 1.04 0.03 1.72 0.02 0.43 -2.05 113.55 114.75 2a3s h SER 17 Ca -0.20 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2a3s h SER 17 Cb 1.95 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2a3s h SER 17 CO 0.11 0.86 -0.12 -0.24 -1.14 0.00 0.00 176.83 176.30 2a3s n SER 18 N -4.32 1.85 -2.47 3.07 2.88 -1.01 -4.86 113.62 108.75 2a3s n SER 18 Ca 0.08 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 2a3s n SER 18 Cb 0.12 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 0.27 0.00 -1.00 -1.46 0.00 -0.77 -4.96 120.51 112.59 2a3s n ALA 19 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2a3s n ALA 19 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.45 0.00 -0.00 0.00 6.02 -1.26 -4.61 117.38 116.08 2a3s n GLN 20 Ca 0.00 0.05 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2a3s n GLN 20 Cb 0.00 -0.58 -0.00 0.00 1.02 0.00 0.00 30.24 30.68 2a3s n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a3s n ASP 21 N -0.13 0.11 -0.76 1.08 2.03 -1.26 -4.97 116.55 112.64 2a3s n ASP 21 Ca 0.00 0.26 -0.01 0.00 0.52 0.00 0.00 54.79 55.56 2a3s n ASP 21 Cb 0.00 -0.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.87 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a3s n ARG 22 N -2.42 0.03 -4.06 -0.67 1.85 -1.25 -4.84 116.66 105.30 2a3s n ARG 22 Ca -0.00 -0.15 -0.13 0.00 -1.00 0.00 0.00 57.85 56.57 2a3s n ARG 22 Cb 0.02 0.42 -0.12 0.00 -1.05 0.00 0.00 32.46 31.73 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 0.48 0.03 2.89 -2.07 -1.26 -2.80 119.66 116.93 2a3s s GLN 23 Ca 0.00 -0.67 0.01 0.00 -1.82 0.00 0.00 55.36 52.88 2a3s s GLN 23 Cb 0.01 -0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 2a3s s GLN 23 CO -0.00 0.04 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.45 2a3s s LEU 24 N -1.41 2.22 0.72 2.60 1.43 0.15 -4.73 118.68 119.66 2a3s s LEU 24 Ca -0.10 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2a3s s LEU 24 Cb -0.09 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.12 2a3s s LEU 24 CO 0.00 -0.22 1.11 0.42 0.23 0.00 0.00 176.35 177.89 2a3s s THR 25 N -1.24 3.31 0.35 5.49 -4.23 -1.26 0.26 115.64 118.31 2a3s s THR 25 Ca -0.11 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.94 2a3s s THR 25 Cb -0.09 -3.42 0.34 0.00 1.34 0.00 0.00 72.50 70.68 2a3s s THR 25 CO -0.00 -0.56 1.78 0.25 -0.54 0.00 0.00 174.62 175.55 2a3s h LEU 26 N -0.71 0.62 -3.82 4.79 6.46 -1.90 0.66 115.31 121.41 2a3s h LEU 26 Ca -0.45 0.09 -0.34 0.00 -0.12 0.00 0.00 57.88 57.07 2a3s h LEU 26 Cb 1.26 -0.01 -0.20 0.00 -0.73 0.00 0.00 40.66 40.98 2a3s h LEU 26 CO 0.64 0.17 0.43 -0.24 -0.62 0.00 0.00 178.44 178.82 2a3s n SER 27 N -4.71 4.40 -0.14 1.25 2.88 -1.26 -4.35 113.62 111.69 2a3s n SER 27 Ca 0.24 -3.36 -0.28 0.00 -1.33 0.00 0.00 58.87 54.15 2a3s n SER 27 Cb 0.71 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.53 -0.43 0.38 0.46 0.00 0.23 -3.87 105.19 101.43 2a3s n GLY 28 Ca 0.48 -0.14 0.20 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.83 0.52 0.04 -0.61 2.10 -1.75 0.55 117.51 117.54 2a3s h ILE 29 Ca -0.68 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 2a3s h ILE 29 Cb 1.65 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 2a3s h ILE 29 CO -0.37 0.00 -0.02 1.88 -1.08 0.00 0.00 178.15 178.56 2a3s h TYR 30 N 0.00 -0.06 -0.03 2.19 0.05 -1.80 -1.49 116.97 115.84 2a3s h TYR 30 Ca 0.20 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.99 2a3s h TYR 30 Cb 0.95 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 2a3s h TYR 30 CO 0.00 0.59 0.07 0.00 -1.05 0.00 0.00 178.16 177.77 2a3s h ALA 31 N -0.01 1.32 0.04 3.88 0.00 -1.27 0.38 119.26 123.58 2a3s h ALA 31 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a3s h ALA 31 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2a3s h ALA 31 CO 0.01 -0.09 -0.02 1.25 0.00 0.00 0.00 179.25 180.40 2a3s h HIS 32 N 0.00 -0.04 -0.73 0.00 -0.00 -0.79 -2.41 115.15 111.18 2a3s h HIS 32 Ca 0.01 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.48 2a3s h HIS 32 Cb 0.16 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.51 2a3s h HIS 32 CO 0.00 -0.03 0.36 0.97 -0.00 0.00 0.00 177.93 179.23 2a3s h ILE 33 N -0.25 0.83 0.00 6.26 2.10 -1.09 0.39 117.51 125.75 2a3s h ILE 33 Ca -0.00 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 65.72 2a3s h ILE 33 Cb 0.04 0.18 -0.00 0.00 -1.09 0.00 0.00 36.82 35.94 2a3s h ILE 33 CO 0.01 0.11 -0.03 0.71 -1.08 0.00 0.00 178.15 177.87 2a3s h THR 34 N 0.60 0.21 0.14 2.19 1.35 -0.32 2.36 112.91 119.44 2a3s h THR 34 Ca 0.36 -0.19 -0.23 0.00 -0.55 0.00 0.00 66.41 65.81 2a3s h THR 34 Cb 0.41 1.15 0.01 0.00 -1.73 0.00 0.00 68.15 67.99 2a3s h THR 34 CO -0.28 0.02 -1.08 0.11 -0.25 0.00 0.00 175.52 174.04 2a3s h LYS 35 N 0.00 0.29 0.06 4.72 1.79 0.28 -3.40 116.57 120.31 2a3s h LYS 35 Ca -0.00 -0.49 -0.38 0.00 -2.18 0.00 0.00 60.65 57.60 2a3s h LYS 35 Cb 0.15 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 2a3s h LYS 35 CO 0.00 1.24 -2.20 0.72 -1.08 0.00 0.00 179.45 178.13 2a3s n HIS 36 N -4.03 0.62 -2.88 -1.35 8.25 -0.64 -4.86 115.22 110.33 2a3s n HIS 36 Ca -0.18 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 2a3s n HIS 36 Cb 0.86 -1.08 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.53 3.52 -0.09 4.41 1.51 0.79 -4.95 117.35 120.02 2a3s s TYR 37 Ca -0.29 1.37 -0.25 0.00 -1.01 0.00 0.00 57.07 56.88 2a3s s TYR 37 Cb 0.08 -2.99 -0.28 0.00 -0.11 0.00 0.00 41.96 38.67 2a3s s TYR 37 CO 0.67 -0.09 0.87 -1.00 -1.11 0.00 0.00 175.55 174.88 2a3s h PRO 38 N 7.03 0.15 -0.16 -1.71 0.13 -1.84 -3.30 132.00 132.31 2a3s h PRO 38 Ca -0.35 -0.24 -0.12 0.00 -0.87 0.00 0.00 66.00 64.42 2a3s h PRO 38 Cb 1.17 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2a3s h PRO 38 CO 0.80 1.08 -0.42 -0.92 -0.23 0.00 0.00 178.00 178.30 2a3s h TYR 39 N -0.66 0.45 -0.21 1.56 5.03 -1.93 -2.66 116.97 118.55 2a3s h TYR 39 Ca -0.06 -0.13 -0.08 0.00 2.58 0.00 0.00 58.73 61.04 2a3s h TYR 39 Cb 1.26 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.39 2a3s h TYR 39 CO 0.23 0.74 0.10 0.66 -1.32 0.00 0.00 178.16 178.57 2a3s n TYR 40 N -4.01 0.68 0.00 -3.82 4.02 -1.25 -2.89 117.16 109.88 2a3s n TYR 40 Ca -0.02 -0.57 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 2a3s n TYR 40 Cb 0.51 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 2a3s n TYR 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2a3s n ARG 41 N 0.11 0.00 0.17 -0.72 0.63 -1.00 -3.68 116.66 112.17 2a3s n ARG 41 Ca 0.12 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.09 2a3s n ARG 41 Cb 0.68 -0.08 0.22 0.00 0.45 0.00 0.00 32.46 33.72 2a3s n ARG 41 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2a3s h THR 42 N 0.00 0.90 -2.79 5.15 1.35 -1.74 -3.45 112.91 112.33 2a3s h THR 42 Ca 0.00 -1.83 -0.45 0.00 -0.55 0.00 0.00 66.41 63.58 2a3s h THR 42 Cb 0.00 2.13 0.04 0.00 -1.73 0.00 0.00 68.15 68.59 2a3s h THR 42 CO 0.00 0.43 -0.04 0.00 -0.25 0.00 0.00 175.52 175.66 2a3s s ALA 43 N -3.35 3.74 -0.30 6.62 0.00 -1.14 -5.09 121.76 122.24 2a3s s ALA 43 Ca 0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2a3s s ALA 43 Cb 0.10 -2.18 0.18 0.00 0.00 0.00 0.00 23.12 21.22 2a3s s ALA 43 CO 0.71 -0.58 1.05 0.16 0.00 0.00 0.00 175.76 177.10 2a3s s ASP 44 N -4.31 -0.44 0.00 0.00 -4.77 -1.26 -4.67 116.67 101.23 2a3s s ASP 44 Ca 0.52 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.88 2a3s s ASP 44 Cb -0.10 1.30 0.00 0.00 -1.09 0.00 0.00 42.92 43.03 2a3s s ASP 44 CO 0.39 -0.08 0.00 0.29 0.70 0.00 0.00 175.17 176.47 2a3s n LYS 45 N 5.22 0.00 -0.92 2.11 4.76 -1.26 -4.89 118.16 123.17 2a3s n LYS 45 Ca 0.05 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 2a3s n LYS 45 Cb 0.57 -0.16 0.04 0.00 -1.84 0.00 0.00 35.03 33.63 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 2.74 1.45 0.10 0.72 0.00 -1.26 -4.81 105.19 104.12 2a3s n GLY 46 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 2a3s n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2a3s h TRP 47 N 0.53 0.00 -0.06 1.61 5.08 -1.97 -2.97 115.95 118.16 2a3s h TRP 47 Ca -0.10 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.89 2a3s h TRP 47 Cb 1.56 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.67 2a3s h TRP 47 CO 0.18 0.70 -0.41 0.37 -1.28 0.00 0.00 178.44 178.00 2a3s h GLN 48 N 0.00 -0.45 0.00 0.12 5.75 -1.95 0.32 115.11 118.91 2a3s h GLN 48 Ca -0.08 0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 2a3s h GLN 48 Cb 1.60 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.24 2a3s h GLN 48 CO 0.08 -0.30 -0.47 -0.91 -2.65 0.00 0.00 178.83 174.58 2a3s h ASN 49 N -0.47 0.00 0.48 -0.69 4.21 -1.96 -3.21 115.58 113.95 2a3s h ASN 49 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2a3s h ASN 49 Cb 0.53 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 2a3s h ASN 49 CO -0.31 0.47 -0.30 -1.28 -1.29 0.00 0.00 177.43 174.72 2a3s h SER 50 N 0.00 -0.75 -0.35 5.81 0.87 -1.02 -0.81 113.55 117.30 2a3s h SER 50 Ca -0.00 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2a3s h SER 50 Cb 0.94 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 2a3s h SER 50 CO 0.06 -0.47 -0.51 0.40 -0.53 0.00 0.00 176.83 175.78 2a3s h ILE 51 N -0.74 0.00 -0.99 2.23 5.03 -0.42 2.26 117.51 124.88 2a3s h ILE 51 Ca -0.05 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.91 2a3s h ILE 51 Cb 0.61 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.28 2a3s h ILE 51 CO 0.05 0.00 0.58 -0.09 -0.68 0.00 0.00 178.15 178.01 2a3s h ARG 52 N -0.39 0.60 -0.03 2.37 2.43 -1.57 0.38 114.38 118.16 2a3s h ARG 52 Ca 0.06 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 2a3s h ARG 52 Cb 0.56 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2a3s h ARG 52 CO -0.53 0.40 -0.86 1.25 -1.51 0.00 0.00 179.97 178.72 2a3s h HIS 53 N 0.62 0.56 -0.45 2.20 2.76 0.13 -3.18 115.15 117.79 2a3s h HIS 53 Ca 0.62 -0.29 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 2a3s h HIS 53 Cb 1.11 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 2a3s h HIS 53 CO -0.02 1.08 -0.03 -0.91 -1.30 0.00 0.00 177.93 176.75 2a3s h ASN 54 N 0.24 0.72 0.45 3.26 2.35 0.74 -1.83 115.58 121.51 2a3s h ASN 54 Ca -0.06 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2a3s h ASN 54 Cb 1.47 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2a3s h ASN 54 CO 0.15 0.81 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.61 2a3s h LEU 55 N 0.70 0.00 0.07 1.61 3.38 -0.75 0.66 115.31 120.97 2a3s h LEU 55 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 2a3s h LEU 55 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2a3s h LEU 55 CO 0.02 0.05 -1.42 0.28 0.09 0.00 0.00 178.44 177.47 2a3s h SER 56 N 0.00 0.24 -0.29 -0.43 0.02 -1.40 -3.35 113.55 108.34 2a3s h SER 56 Ca -0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2a3s h SER 56 Cb 0.29 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2a3s h SER 56 CO 0.01 1.60 0.00 0.00 -1.14 0.00 0.00 176.83 177.29 2a3s n LEU 57 N -4.04 1.95 -4.82 5.07 -0.00 -0.76 -4.91 117.00 109.50 2a3s n LEU 57 Ca -0.28 -0.91 -0.32 0.00 -0.00 0.00 0.00 56.01 54.49 2a3s n LEU 57 Cb 0.83 -0.19 -0.01 0.00 -0.00 0.00 0.00 43.42 44.06 2a3s n LEU 57 CO 0.33 0.45 0.70 0.20 -0.00 0.00 0.00 177.39 179.08 2a3s s ASN 58 N -1.26 6.09 -0.02 1.45 0.01 0.23 -4.97 114.94 116.46 2a3s s ASN 58 Ca 0.29 1.72 0.14 0.00 -0.71 0.00 0.00 52.86 54.30 2a3s s ASN 58 Cb 0.15 -2.52 -0.21 0.00 0.41 0.00 0.00 41.25 39.09 2a3s s ASN 58 CO 0.22 -0.95 0.67 -1.14 -1.51 0.00 0.00 177.10 174.39 2a3s n ARG 59 N -1.88 0.63 -1.06 -0.60 3.00 -1.26 -4.30 116.66 111.19 2a3s n ARG 59 Ca 0.08 0.26 -0.05 0.00 -0.00 0.00 0.00 57.85 58.13 2a3s n ARG 59 Cb 0.53 -1.78 0.15 0.00 0.00 0.00 0.00 32.46 31.36 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2a3s n TYR 60 N -2.98 1.03 -4.62 -0.14 0.18 -1.26 -4.95 117.16 104.43 2a3s n TYR 60 Ca -0.16 -1.76 -0.24 0.00 1.88 0.00 0.00 57.90 57.62 2a3s n TYR 60 Cb 1.00 -0.34 -0.16 0.00 -0.38 0.00 0.00 39.34 39.45 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2a3s s PHE 61 N -3.36 1.37 0.23 -3.48 0.08 -1.26 0.19 117.98 111.75 2a3s s PHE 61 Ca 0.43 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.10 2a3s s PHE 61 Cb 0.39 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 2a3s s PHE 61 CO -0.03 -0.16 0.16 0.96 -0.10 0.00 0.00 175.22 176.06 2a3s s ILE 62 N 0.20 0.03 0.42 0.64 -4.36 0.32 -4.82 121.20 113.63 2a3s s ILE 62 Ca -0.05 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 2a3s s ILE 62 Cb -0.11 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 41.03 2a3s s ILE 62 CO 0.02 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 173.62 2a3s s LYS 63 N -4.00 2.00 -0.33 0.37 -2.85 -1.26 0.23 119.74 113.91 2a3s s LYS 63 Ca 0.39 -2.14 -0.06 0.00 -1.00 0.00 0.00 55.97 53.16 2a3s s LYS 63 Cb 0.06 -1.64 0.03 0.00 -2.06 0.00 0.00 37.83 34.22 2a3s s LYS 63 CO 0.15 -0.10 0.09 0.54 0.10 0.00 0.00 175.35 176.14 2a3s s VAL 64 N -2.73 3.76 0.78 1.79 0.11 -0.99 -4.86 120.40 118.26 2a3s s VAL 64 Ca 0.31 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.20 2a3s s VAL 64 Cb 0.09 -3.08 0.06 0.00 -1.53 0.00 0.00 36.38 31.92 2a3s s VAL 64 CO 0.16 -0.11 1.11 -2.16 -3.33 0.00 0.00 175.10 170.77 2a3s s PRO 65 N 1.41 2.21 0.00 1.54 0.04 -1.26 -4.69 135.00 134.25 2a3s s PRO 65 Ca -0.01 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2a3s s PRO 65 Cb -0.19 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2a3s s PRO 65 CO 0.02 -1.50 0.00 -2.13 0.04 0.00 0.00 177.00 173.44 2a3s n ARG 66 N -3.32 0.00 -2.74 4.56 3.00 -1.26 -5.02 116.66 111.88 2a3s n ARG 66 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.83 2a3s n ARG 66 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.11 2a3s n ARG 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2a3s n SER 67 N -0.32 -2.46 -3.94 6.15 7.64 -1.26 -5.14 113.62 114.29 2a3s n SER 67 Ca 0.00 -3.61 -0.08 0.00 1.01 0.00 0.00 58.87 56.19 2a3s n SER 67 Cb 0.00 1.89 -0.04 0.00 -1.01 0.00 0.00 64.21 65.05 2a3s n SER 67 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2a3s s GLN 68 N 0.35 1.64 -0.56 1.43 -0.21 -1.26 -5.06 119.66 115.99 2a3s s GLN 68 Ca 0.25 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 54.51 2a3s s GLN 68 Cb 0.28 0.53 0.41 0.00 1.00 0.00 0.00 33.01 35.22 2a3s s GLN 68 CO -0.10 -0.71 1.48 0.39 -2.12 0.00 0.00 175.29 174.23 2a3s n GLU 69 N -0.41 3.19 -3.59 2.91 1.02 -1.26 -4.90 120.64 117.59 2a3s n GLU 69 Ca -0.03 -4.06 -0.29 0.00 -0.02 0.00 0.00 57.16 52.76 2a3s n GLU 69 Cb 0.61 -2.26 -0.15 0.00 -0.02 0.00 0.00 31.44 29.62 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2a3s s GLU 70 N -3.74 0.36 -0.75 3.49 0.41 -1.26 -5.08 118.70 112.13 2a3s s GLU 70 Ca 0.51 -0.74 -0.26 0.00 -0.41 0.00 0.00 54.97 54.07 2a3s s GLU 70 Cb 0.42 -1.40 0.02 0.00 -1.78 0.00 0.00 34.13 31.39 2a3s s GLU 70 CO -0.21 -1.02 1.46 -1.25 -0.49 0.00 0.00 175.26 173.74 2a3s s PRO 71 N 1.89 3.09 -0.29 0.39 0.04 -1.26 -4.65 135.00 134.21 2a3s s PRO 71 Ca 0.10 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.02 2a3s s PRO 71 Cb -0.17 -4.40 0.16 0.00 0.04 0.00 0.00 34.50 30.13 2a3s s PRO 71 CO -0.31 -2.34 1.09 0.41 0.04 0.00 0.00 177.00 175.89 2a3s n GLY 72 N 5.69 -0.05 3.65 0.56 0.00 -1.26 -5.14 105.19 108.64 2a3s n GLY 72 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.07 0.11 0.02 1.61 -0.14 -1.26 -5.17 119.74 114.98 2a3s s LYS 73 Ca 0.07 0.15 0.07 0.00 -1.36 0.00 0.00 55.97 54.90 2a3s s LYS 73 Cb 0.16 0.04 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 2a3s s LYS 73 CO -0.04 -0.02 -0.21 0.20 -0.76 0.00 0.00 175.35 174.53 2a3s s GLY 74 N 0.39 1.07 0.00 -3.33 0.00 -1.26 -5.01 107.32 99.18 2a3s s GLY 74 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2a3s s GLY 74 CO -0.13 -0.87 0.00 -1.14 0.00 0.00 0.00 173.10 170.96 2a3s n SER 75 N 2.18 0.65 -3.69 1.64 3.41 -1.26 -4.87 113.62 111.68 2a3s n SER 75 Ca -0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.23 2a3s n SER 75 Cb 0.53 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.30 2a3s n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2a3s s PHE 76 N -1.69 0.27 0.51 7.33 2.19 -1.26 -4.16 117.98 121.17 2a3s s PHE 76 Ca 0.00 0.03 -0.03 0.00 0.33 0.00 0.00 56.93 57.26 2a3s s PHE 76 Cb 0.00 -0.61 0.00 0.00 -1.31 0.00 0.00 43.02 41.10 2a3s s PHE 76 CO 0.00 -0.29 0.78 -1.58 1.83 0.00 0.00 175.22 175.96 2a3s s TRP 77 N 2.10 3.24 -0.01 10.12 0.52 0.73 -2.34 118.94 133.30 2a3s s TRP 77 Ca 0.04 0.42 -0.28 0.00 0.02 0.00 0.00 56.10 56.31 2a3s s TRP 77 Cb -0.13 -2.51 0.06 0.00 -1.15 0.00 0.00 33.47 29.75 2a3s s TRP 77 CO -0.05 -0.57 0.63 0.50 0.02 0.00 0.00 176.95 177.48 2a3s s ARG 78 N -4.76 1.06 0.40 4.98 3.52 0.14 0.31 118.95 124.61 2a3s s ARG 78 Ca 0.51 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 2a3s s ARG 78 Cb -0.10 0.50 -0.00 0.00 -1.56 0.00 0.00 34.95 33.78 2a3s s ARG 78 CO 0.41 -0.36 0.58 0.96 -0.81 0.00 0.00 175.30 176.08 2a3s s ILE 79 N -1.72 3.88 0.57 4.11 -4.36 -1.12 0.12 121.20 122.68 2a3s s ILE 79 Ca -0.09 -0.77 -0.21 0.00 -0.26 0.00 0.00 60.65 59.33 2a3s s ILE 79 Cb -0.01 -3.39 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2a3s s ILE 79 CO 0.05 -0.21 1.32 0.47 0.24 0.00 0.00 174.94 176.81 2a3s n ASP 80 N -1.88 2.45 -0.06 4.36 9.92 0.13 -4.72 116.55 126.75 2a3s n ASP 80 Ca 0.01 0.94 -0.13 0.00 -0.53 0.00 0.00 54.79 55.08 2a3s n ASP 80 Cb 0.58 -1.56 -0.12 0.00 -0.64 0.00 0.00 41.12 39.38 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2a3s h PRO 81 N 1.17 -0.01 0.00 -0.24 0.13 -1.96 -1.66 132.00 129.43 2a3s h PRO 81 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2a3s h PRO 81 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2a3s h PRO 81 CO 0.56 0.84 0.00 0.00 -0.23 0.00 0.00 178.00 179.17 2a3s n ALA 82 N -2.57 2.56 0.04 -0.56 0.00 -1.26 -2.90 120.51 115.82 2a3s n ALA 82 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.27 2a3s n ALA 82 Cb 0.41 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.72 1.90 0.28 0.00 7.64 -1.23 -4.56 113.62 116.93 2a3s n SER 83 Ca 0.10 -0.32 0.17 0.00 1.01 0.00 0.00 58.87 59.83 2a3s n SER 83 Cb 0.05 1.02 0.91 0.00 -1.01 0.00 0.00 64.21 65.18 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 0.00 0.00 0.00 1.43 4.81 -1.16 1.00 114.58 120.65 2a3s h GLU 84 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2a3s h GLU 84 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2a3s h GLU 84 CO 0.00 0.00 -1.44 0.00 -0.73 0.00 0.00 179.01 176.84 2a3s n ALA 85 N -1.92 1.94 -0.03 2.92 0.00 -1.26 -3.00 120.51 119.15 2a3s n ALA 85 Ca -0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 2a3s n ALA 85 Cb 0.15 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2a3s n ALA 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2a3s n LYS 86 N -2.88 0.66 -0.00 0.00 -0.00 0.15 -3.94 118.16 112.15 2a3s n LYS 86 Ca -0.10 0.24 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 2a3s n LYS 86 Cb 0.84 -1.73 -0.09 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.01 -0.09 -1.98 -5.58 8.10 0.60 -3.09 115.31 113.28 2a3s h LEU 87 Ca -0.35 -0.52 0.47 0.00 0.11 0.00 0.00 57.88 57.58 2a3s h LEU 87 Cb 2.05 0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 42.23 2a3s h LEU 87 CO 0.07 0.57 1.17 -0.37 -4.11 0.00 0.00 178.44 175.78 2a3s h VAL 88 N -0.85 0.18 -0.41 0.15 -1.51 -1.72 0.35 116.25 112.45 2a3s h VAL 88 Ca -0.01 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.53 2a3s h VAL 88 Cb 0.60 0.18 -0.06 0.00 -2.13 0.00 0.00 31.29 29.88 2a3s h VAL 88 CO 0.02 0.00 0.03 -0.08 -1.23 0.00 0.00 177.57 176.31 2a3s h GLU 89 N 0.00 0.14 0.00 5.19 4.22 -1.66 0.56 114.58 123.04 2a3s h GLU 89 Ca 0.77 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.20 2a3s h GLU 89 Cb 3.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.33 2a3s h GLU 89 CO -0.01 0.09 0.00 1.04 -2.18 0.00 0.00 179.01 177.95 2a3s n GLN 90 N -5.16 0.06 0.29 1.92 1.13 0.12 -3.75 117.38 111.99 2a3s n GLN 90 Ca 0.03 0.16 -0.12 0.00 -1.94 0.00 0.00 57.00 55.13 2a3s n GLN 90 Cb 0.20 -1.58 -0.06 0.00 0.11 0.00 0.00 30.24 28.91 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a3s h ALA 91 N 2.68 -1.07 -1.09 -1.58 0.00 0.43 -3.30 119.26 115.34 2a3s h ALA 91 Ca 0.00 -0.17 -0.74 0.00 0.00 0.00 0.00 54.91 54.01 2a3s h ALA 91 Cb 0.43 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 2a3s h ALA 91 CO 0.00 -1.01 1.92 1.19 0.00 0.00 0.00 179.25 181.34 2a3s n PHE 92 N -4.28 3.86 0.00 0.00 3.72 -1.12 -4.86 117.46 114.78 2a3s n PHE 92 Ca -0.09 -3.01 0.00 0.00 -0.05 0.00 0.00 57.45 54.29 2a3s n PHE 92 Cb 0.30 -2.15 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 2a3s n PHE 92 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2a3s n ARG 93 N 5.09 0.00 -4.75 -1.08 0.63 -1.24 -5.03 116.66 110.26 2a3s n ARG 93 Ca 0.41 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 57.08 2a3s n ARG 93 Cb 0.40 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.16 2a3s n ARG 93 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2a3s s LYS 94 N -1.86 1.42 -0.01 -0.14 1.02 -1.26 -4.98 119.74 113.93 2a3s s LYS 94 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2a3s s LYS 94 Cb 0.00 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.88 2a3s s LYS 94 CO 0.00 0.38 0.01 -0.98 -0.92 0.00 0.00 175.35 173.84 2a3s s ARG 95 N -0.82 0.07 -0.18 1.68 1.70 -1.26 -5.03 118.95 115.10 2a3s s ARG 95 Ca 0.07 0.08 0.15 0.00 -0.47 0.00 0.00 55.73 55.57 2a3s s ARG 95 Cb -0.08 -0.22 -0.24 0.00 -0.57 0.00 0.00 34.95 33.84 2a3s s ARG 95 CO 0.01 -0.09 0.12 0.54 -1.08 0.00 0.00 175.30 174.80 2a3s n ARG 96 N 3.73 0.68 -3.81 3.89 3.00 -1.26 -4.93 116.66 117.96 2a3s n ARG 96 Ca -0.22 0.05 -0.21 0.00 -0.01 0.00 0.00 57.85 57.47 2a3s n ARG 96 Cb 0.54 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 31.42 2a3s n ARG 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2a3s s GLN 97 N -2.51 3.16 0.06 5.56 2.00 -1.26 -5.02 119.66 121.65 2a3s s GLN 97 Ca -0.12 -0.96 -0.20 0.00 -2.00 0.00 0.00 55.36 52.08 2a3s s GLN 97 Cb 0.07 -2.76 -0.12 0.00 0.80 0.00 0.00 33.01 31.00 2a3s s GLN 97 CO 0.81 0.27 1.47 -0.09 -0.50 0.00 0.00 175.29 177.24 2a3s h ARG 98 N 1.14 0.31 0.00 1.67 2.43 -2.05 -3.48 114.38 114.40 2a3s h ARG 98 Ca -0.49 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2a3s h ARG 98 Cb 1.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2a3s h ARG 98 CO 0.58 0.56 0.00 0.41 -1.51 0.00 0.00 179.97 180.01 2a3s n GLY 99 N -0.21 2.17 3.08 2.80 0.00 -1.26 -5.10 105.19 106.68 2a3s n GLY 99 Ca -0.05 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.73 3.60 0.00 1.61 0.11 -1.26 -5.15 120.40 116.59 2a3s s VAL 100 Ca 0.00 -2.95 0.00 0.00 -2.93 0.00 0.00 61.98 56.10 2a3s s VAL 100 Cb 0.00 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 2a3s s VAL 100 CO 0.00 -0.86 0.38 -1.20 -3.33 0.00 0.00 175.10 170.09