#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi s SER 2 N 0.00 3.14 0.09 4.38 1.04 -1.26 -5.11 113.70 115.98 1vfi s SER 2 Ca 0.00 -2.37 0.10 0.00 0.48 0.00 0.00 55.95 54.16 1vfi s SER 2 Cb 0.00 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 1vfi s SER 2 CO 0.00 -0.29 -0.25 -1.61 0.98 0.00 0.00 173.24 172.07 1vfi s GLU 3 N 0.79 1.64 0.44 4.02 2.02 -1.26 -5.05 118.70 121.29 1vfi s GLU 3 Ca 0.18 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1vfi s GLU 3 Cb -0.22 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1vfi s GLU 3 CO -0.00 0.48 0.00 1.19 0.02 0.00 0.00 175.26 176.95 1vfi n PHE 4 N 1.28 -3.19 -0.95 1.61 3.72 -1.26 -5.01 117.46 113.65 1vfi n PHE 4 Ca -0.17 1.70 0.03 0.00 -0.05 0.00 0.00 57.45 58.96 1vfi n PHE 4 Cb 0.52 -2.90 -0.02 0.00 -0.94 0.00 0.00 39.48 36.15 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vfi n ALA 5 N -3.38 -1.67 -1.52 4.37 0.00 -1.26 -4.96 120.51 112.09 1vfi n ALA 5 Ca -0.05 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 1vfi n ALA 5 Cb 0.64 -1.07 0.18 0.00 0.00 0.00 0.00 19.45 19.20 1vfi n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vfi s PRO 6 N -4.58 0.39 0.54 0.00 0.04 -1.26 -4.91 135.00 125.21 1vfi s PRO 6 Ca 0.00 0.01 0.36 0.00 0.04 0.00 0.00 61.00 61.41 1vfi s PRO 6 Cb 0.00 -1.78 1.71 0.00 0.04 0.00 0.00 34.50 34.47 1vfi s PRO 6 CO 0.00 -2.65 2.07 -0.24 0.04 0.00 0.00 177.00 176.22 1vfi h VAL 7 N -1.82 0.00 -6.31 -0.36 3.04 -1.93 -3.47 116.25 105.40 1vfi h VAL 7 Ca -0.47 -0.24 -0.33 0.00 -1.01 0.00 0.00 66.70 64.64 1vfi h VAL 7 Cb 1.30 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1vfi h VAL 7 CO 0.48 0.00 -0.77 -0.67 -1.01 0.00 0.00 177.57 175.61 1vfi n ASP 8 N -2.91 -5.79 -0.28 3.17 2.03 -1.26 -4.41 116.55 107.10 1vfi n ASP 8 Ca -0.01 -0.66 0.03 0.00 0.52 0.00 0.00 54.79 54.67 1vfi n ASP 8 Cb 0.18 -2.81 0.16 0.00 -0.72 0.00 0.00 41.12 37.94 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h LYS 10 N 0.74 -0.56 -0.12 0.00 3.64 -1.91 0.80 116.57 119.16 1vfi h LYS 10 Ca 0.39 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1vfi h LYS 10 Cb 0.37 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1vfi h LYS 10 CO -0.25 -0.37 0.06 0.78 -2.27 0.00 0.00 179.45 177.39 1vfi h GLY 11 N -0.58 0.19 0.30 5.01 0.00 -1.72 -2.37 103.07 103.89 1vfi h GLY 11 Ca 0.01 -0.10 0.21 0.00 0.00 0.00 0.00 47.33 47.46 1vfi h GLY 11 CO -0.32 0.09 0.60 -1.61 0.00 0.00 0.00 176.54 175.30 1vfi h GLN 12 N 0.06 0.30 -3.22 4.80 5.75 0.11 -2.48 115.11 120.43 1vfi h GLN 12 Ca 0.04 -0.02 -0.76 0.00 -0.15 0.00 0.00 58.65 57.76 1vfi h GLN 12 Cb 0.13 -0.07 -0.16 0.00 1.07 0.00 0.00 27.48 28.46 1vfi h GLN 12 CO -0.00 0.20 2.01 0.00 -2.65 0.00 0.00 178.83 178.39 1vfi n THR 14 N 2.74 1.56 -0.07 0.00 -1.04 -0.94 -3.45 114.28 113.09 1vfi n THR 14 Ca 0.44 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 1vfi n THR 14 Cb 0.33 -1.50 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 1vfi n THR 14 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1vfi h THR 15 N -0.01 1.31 0.00 12.58 2.02 -1.87 1.47 112.91 128.40 1vfi h THR 15 Ca -0.55 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1vfi h THR 15 Cb 1.92 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1vfi h THR 15 CO -0.06 0.35 0.00 -0.81 0.37 0.00 0.00 175.52 175.37 1vfi n PRO 16 N -4.55 0.09 -0.16 6.66 -0.04 -1.26 -2.41 135.00 133.32 1vfi n PRO 16 Ca -0.05 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1vfi n PRO 16 Cb 0.33 -1.63 0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1vfi n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vfi h GLU 18 N 0.00 -0.09 -0.04 0.00 4.81 0.24 -1.21 114.58 118.29 1vfi h GLU 18 Ca 0.00 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1vfi h GLU 18 Cb 1.08 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1vfi h GLU 18 CO 0.00 0.26 -0.72 -1.00 -0.73 0.00 0.00 179.01 176.82 1vfi h PRO 19 N -0.44 0.56 0.27 0.92 0.13 -1.83 -2.76 132.00 128.85 1vfi h PRO 19 Ca -0.01 -0.55 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1vfi h PRO 19 Cb 0.39 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.62 1vfi h PRO 19 CO 0.01 1.17 -0.45 1.25 -0.23 0.00 0.00 178.00 179.75 1vfi h LEU 20 N 0.16 -1.30 -0.35 1.56 5.85 -1.76 -0.79 115.31 118.69 1vfi h LEU 20 Ca -0.08 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1vfi h LEU 20 Cb 1.39 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 1vfi h LEU 20 CO 0.14 -0.56 -0.19 0.74 -0.34 0.00 0.00 178.44 178.24 1vfi h THR 21 N -0.79 0.45 -0.69 1.05 2.02 -1.31 0.57 112.91 114.21 1vfi h THR 21 Ca -0.01 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.37 1vfi h THR 21 Cb 0.75 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1vfi h THR 21 CO -0.17 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.32 1vfi h ALA 22 N 1.08 2.52 0.24 6.16 0.00 -1.12 0.63 119.26 128.77 1vfi h ALA 22 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1vfi h ALA 22 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1vfi h ALA 22 CO -0.43 -0.95 -0.12 0.00 0.00 0.00 0.00 179.25 177.75 1vfi h LYS 24 N -0.55 0.11 0.04 0.00 1.57 -0.48 -1.57 116.57 115.70 1vfi h LYS 24 Ca -0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1vfi h LYS 24 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1vfi h LYS 24 CO 0.05 0.07 -0.22 0.93 -0.57 0.00 0.00 179.45 179.72 1vfi h GLU 25 N 0.11 -0.29 -0.98 3.15 4.39 0.13 1.46 114.58 122.56 1vfi h GLU 25 Ca 0.27 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.29 1vfi h GLU 25 Cb 0.41 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 28.94 1vfi h GLU 25 CO -0.44 -0.19 0.16 1.17 -1.16 0.00 0.00 179.01 178.54 1vfi n LYS 26 N -3.67 -0.07 0.01 2.33 4.81 -0.29 0.17 118.16 121.45 1vfi n LYS 26 Ca -0.03 1.43 -0.13 0.00 -0.87 0.00 0.00 58.31 58.71 1vfi n LYS 26 Cb 0.17 -2.35 -0.09 0.00 0.02 0.00 0.00 35.03 32.77 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vfi h ALA 28 N 0.57 1.58 0.12 0.00 0.00 1.23 0.87 119.26 123.63 1vfi h ALA 28 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1vfi h ALA 28 Cb 0.39 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1vfi h ALA 28 CO 0.00 -0.39 -0.06 0.93 0.00 0.00 0.00 179.25 179.74 1vfi h GLU 29 N 0.39 -0.16 -0.03 0.00 4.39 0.08 -2.49 114.58 116.76 1vfi h GLU 29 Ca 0.61 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.31 1vfi h GLU 29 Cb 1.22 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1vfi h GLU 29 CO -0.55 0.04 -0.04 1.03 -1.16 0.00 0.00 179.01 178.33 1vfi h SER 30 N -0.33 0.04 -1.75 1.42 0.87 0.05 -1.83 113.55 112.02 1vfi h SER 30 Ca -0.02 -0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.82 1vfi h SER 30 Cb 0.27 -0.01 -0.26 0.00 -0.44 0.00 0.00 62.40 61.96 1vfi h SER 30 CO 0.03 0.09 0.97 0.00 -0.53 0.00 0.00 176.83 177.38 1vfi h GLU 32 N 2.85 0.10 0.00 0.00 5.08 -1.11 -3.37 114.58 118.12 1vfi h GLU 32 Ca 0.55 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1vfi h GLU 32 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1vfi h GLU 32 CO 1.39 0.07 0.00 0.25 -1.00 0.00 0.00 179.01 179.72 1vfi n THR 33 N -4.68 0.00 -0.91 1.13 -2.24 -1.26 -5.06 114.28 101.25 1vfi n THR 33 Ca 0.36 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.24 1vfi n THR 33 Cb 1.39 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1vfi n THR 33 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vfi n SER 34 N -3.36 -4.65 0.05 3.42 2.88 -1.26 -3.56 113.62 107.13 1vfi n SER 34 Ca 0.00 0.81 -0.21 0.00 -1.33 0.00 0.00 58.87 58.13 1vfi n SER 34 Cb 0.00 -2.48 -0.15 0.00 -0.75 0.00 0.00 64.21 60.83 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi h ALA 35 N -0.73 0.01 -2.08 -1.46 0.00 -2.01 -3.40 119.26 109.59 1vfi h ALA 35 Ca 0.02 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.46 1vfi h ALA 35 Cb 0.68 0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 1vfi h ALA 35 CO 0.01 0.63 -0.90 -0.25 0.00 0.00 0.00 179.25 178.73 1vfi n ASP 36 N -3.96 1.71 -0.26 0.00 9.92 -1.26 -4.95 116.55 117.74 1vfi n ASP 36 Ca -0.19 -3.02 -0.03 0.00 -0.53 0.00 0.00 54.79 51.01 1vfi n ASP 36 Cb 0.91 -0.65 0.03 0.00 -0.64 0.00 0.00 41.12 40.76 1vfi n ASP 36 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1vfi h LYS 37 N 4.00 -0.10 -0.01 -1.24 3.64 -1.78 0.55 116.57 121.64 1vfi h LYS 37 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1vfi h LYS 37 Cb 0.79 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1vfi h LYS 37 CO 0.62 -0.06 -0.01 0.87 -2.27 0.00 0.00 179.45 178.60 1vfi h LYS 38 N -0.10 -0.00 -0.74 1.90 6.56 -1.92 0.93 116.57 123.19 1vfi h LYS 38 Ca 0.28 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 60.04 1vfi h LYS 38 Cb 0.57 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.10 1vfi h LYS 38 CO -0.77 -0.00 0.05 1.15 -2.06 0.00 0.00 179.45 177.82 1vfi h THR 39 N -0.00 0.39 0.16 -0.16 2.02 -1.72 0.27 112.91 113.86 1vfi h THR 39 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1vfi h THR 39 Cb 0.01 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1vfi h THR 39 CO -0.01 0.03 -0.35 0.00 0.37 0.00 0.00 175.52 175.56 1vfi h ARG 41 N -0.55 0.24 0.39 0.00 3.08 0.22 0.24 114.38 118.00 1vfi h ARG 41 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1vfi h ARG 41 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1vfi h ARG 41 CO -0.15 0.16 -0.19 0.00 -1.07 0.00 0.00 179.97 178.73 1vfi h ARG 42 N 0.25 -0.50 -0.92 0.04 3.08 0.52 -3.03 114.38 113.82 1vfi h ARG 42 Ca 0.68 0.03 0.24 0.00 0.07 0.00 0.00 59.98 61.00 1vfi h ARG 42 Cb 1.53 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.56 1vfi h ARG 42 CO -0.65 -0.19 0.42 -0.91 -1.07 0.00 0.00 179.97 177.57 1vfi h ASN 43 N -0.86 0.35 -1.13 7.04 2.35 0.34 1.39 115.58 125.07 1vfi h ASN 43 Ca -0.05 0.16 0.31 0.00 -0.55 0.00 0.00 56.30 56.17 1vfi h ASN 43 Cb 0.54 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.96 1vfi h ASN 43 CO 0.09 -0.02 0.74 0.00 -1.65 0.00 0.00 177.43 176.59 1vfi h LYS 45 N 0.26 0.87 0.00 0.00 3.64 0.19 -1.14 116.57 120.38 1vfi h LYS 45 Ca 0.63 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.81 1vfi h LYS 45 Cb 1.86 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.46 1vfi h LYS 45 CO -0.26 0.57 -1.23 0.87 -2.27 0.00 0.00 179.45 177.13 1vfi h LYS 46 N 0.89 0.00 -0.25 1.90 1.79 0.16 -2.28 116.57 118.79 1vfi h LYS 46 Ca 0.39 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.90 1vfi h LYS 46 Cb 0.28 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 1vfi h LYS 46 CO -0.21 0.32 -0.48 0.00 -1.08 0.00 0.00 179.45 178.00 1vfi h ALA 47 N 1.45 -0.77 0.00 3.86 0.00 0.28 -3.40 119.26 120.68 1vfi h ALA 47 Ca -0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1vfi h ALA 47 Cb 1.53 1.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.24 1vfi h ALA 47 CO 0.05 -0.98 -0.10 -0.25 0.00 0.00 0.00 179.25 177.97 1vfi n ASP 48 N -5.04 -1.25 -2.76 0.00 8.00 -0.98 -4.97 116.55 109.55 1vfi n ASP 48 Ca -0.04 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1vfi n ASP 48 Cb 0.31 0.77 0.05 0.00 -0.02 0.00 0.00 41.12 42.24 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi h GLU 50 N 2.41 0.10 0.05 0.00 5.08 -1.75 -3.07 114.58 117.39 1vfi h GLU 50 Ca -0.17 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1vfi h GLU 50 Cb 1.30 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1vfi h GLU 50 CO 0.15 1.02 -0.02 -1.00 -1.00 0.00 0.00 179.01 178.15 1vfi h PRO 51 N -0.75 -0.07 -0.90 2.33 0.13 -1.90 -2.84 132.00 128.01 1vfi h PRO 51 Ca -0.04 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.33 1vfi h PRO 51 Cb 1.12 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 1vfi h PRO 51 CO 0.04 0.55 0.36 1.96 -0.23 0.00 0.00 178.00 180.68 1vfi h GLN 52 N -0.82 0.32 -0.72 0.86 4.20 -1.91 0.85 115.11 117.91 1vfi h GLN 52 Ca -0.01 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1vfi h GLN 52 Cb 0.65 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1vfi h GLN 52 CO 0.01 0.21 0.18 0.22 -0.67 0.00 0.00 178.83 178.79 1vfi h ASP 53 N 0.33 1.08 0.81 1.46 1.82 -1.59 -2.59 116.42 117.74 1vfi h ASP 53 Ca 0.57 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.94 1vfi h ASP 53 Cb 1.12 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 40.85 1vfi h ASP 53 CO -0.57 1.03 -0.39 0.11 -1.61 0.00 0.00 179.24 177.81 1vfi h LYS 54 N 1.08 -1.04 -1.22 0.28 1.57 0.78 0.67 116.57 118.68 1vfi h LYS 54 Ca 0.23 0.07 0.35 0.00 -1.87 0.00 0.00 60.65 59.43 1vfi h LYS 54 Cb 0.36 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1vfi h LYS 54 CO 0.00 -0.69 1.02 0.28 -0.57 0.00 0.00 179.45 179.50 1vfi h VAL 55 N -1.17 0.20 0.00 0.50 2.07 -0.44 0.26 116.25 117.66 1vfi h VAL 55 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1vfi h VAL 55 Cb 0.84 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1vfi h VAL 55 CO 0.18 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.59 1vfi h ASP 57 N -1.00 0.00 0.51 0.00 5.19 0.34 1.19 116.42 122.66 1vfi h ASP 57 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1vfi h ASP 57 Cb 0.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1vfi h ASP 57 CO -0.00 0.00 -0.28 0.00 -3.12 0.00 0.00 179.24 175.84 1vfi h ALA 58 N 1.01 -0.74 0.23 3.45 0.00 -0.82 0.71 119.26 123.10 1vfi h ALA 58 Ca 0.91 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1vfi h ALA 58 Cb 3.70 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 21.78 1vfi h ALA 58 CO -0.01 -0.92 -0.43 0.00 0.00 0.00 0.00 179.25 177.89 1vfi h ARG 60 N -0.71 0.07 -0.95 0.00 3.08 -1.38 1.59 114.38 116.09 1vfi h ARG 60 Ca -0.02 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.22 1vfi h ARG 60 Cb 0.66 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.62 1vfi h ARG 60 CO -0.16 0.05 0.61 0.52 -1.07 0.00 0.00 179.97 179.92 1vfi h MET 61 N 0.07 0.51 0.00 0.04 2.86 0.13 0.60 114.93 119.15 1vfi h MET 61 Ca 0.35 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1vfi h MET 61 Cb 0.58 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1vfi h MET 61 CO -0.62 0.34 -0.53 0.87 1.06 0.00 0.00 176.91 178.03 1vfi h LYS 62 N 0.53 0.00 -0.77 1.72 6.56 0.16 -3.29 116.57 121.48 1vfi h LYS 62 Ca 0.51 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 60.25 1vfi h LYS 62 Cb 1.10 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.62 1vfi h LYS 62 CO -0.25 0.60 -0.25 0.00 -2.06 0.00 0.00 179.45 177.50 1vfi h HIS 64 N -0.04 -0.25 -0.44 0.00 6.17 0.04 0.70 115.15 121.33 1vfi h HIS 64 Ca 0.34 0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.51 1vfi h HIS 64 Cb 0.57 0.12 -0.06 0.00 2.52 0.00 0.00 27.41 30.56 1vfi h HIS 64 CO -0.65 -0.07 0.08 0.87 0.71 0.00 0.00 177.93 178.87 1vfi h LYS 65 N -0.05 0.21 -0.58 5.26 1.57 -1.24 0.27 116.57 122.00 1vfi h LYS 65 Ca 0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1vfi h LYS 65 Cb 0.08 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.25 1vfi h LYS 65 CO -0.09 0.14 -0.53 0.00 -0.57 0.00 0.00 179.45 178.39 1vfi h ALA 66 N 1.35 -0.61 -0.64 3.86 0.00 0.29 0.46 119.26 123.97 1vfi h ALA 66 Ca 0.22 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1vfi h ALA 66 Cb 0.28 1.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1vfi h ALA 66 CO -0.29 -0.97 0.31 0.00 0.00 0.00 0.00 179.25 178.29 1vfi h ARG 68 N 0.56 0.09 0.00 0.00 2.43 0.20 0.50 114.38 118.16 1vfi h ARG 68 Ca 0.30 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 59.12 1vfi h ARG 68 Cb 0.28 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 1vfi h ARG 68 CO -0.23 0.06 -2.32 0.00 -1.51 0.00 0.00 179.97 175.96 1vfi n ALA 69 N -2.69 1.52 -0.44 2.80 0.00 0.39 -2.72 120.51 119.37 1vfi n ALA 69 Ca 0.33 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1vfi n ALA 69 Cb 1.40 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.72 1vfi n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfi n ALA 70 N -2.81 -0.26 0.05 0.00 0.00 0.47 -4.43 120.51 113.54 1vfi n ALA 70 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 1vfi n ALA 70 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.53 1vfi n ALA 70 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vfi h ASN 71 N 0.00 -0.15 -4.36 0.00 2.35 -0.65 -3.46 115.58 109.31 1vfi h ASN 71 Ca 0.00 0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.27 1vfi h ASN 71 Cb 0.00 0.04 0.10 0.00 0.05 0.00 0.00 38.32 38.51 1vfi h ASN 71 CO 0.00 0.09 0.36 0.00 -1.65 0.00 0.00 177.43 176.23 1vfi n ALA 73 N -3.28 0.00 -0.08 0.00 0.00 -1.10 -2.96 120.51 113.08 1vfi n ALA 73 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1vfi n ALA 73 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1vfi n ALA 73 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vfi h SER 74 N 0.00 0.88 0.05 0.00 0.02 -1.92 -2.57 113.55 110.01 1vfi h SER 74 Ca 0.00 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1vfi h SER 74 Cb 0.00 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1vfi h SER 74 CO 0.00 1.16 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.50 1vfi h GLU 75 N 0.67 0.00 -2.51 3.45 3.07 -1.93 -3.25 114.58 114.08 1vfi h GLU 75 Ca 0.06 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.32 1vfi h GLU 75 Cb 0.96 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.48 1vfi h GLU 75 CO 0.09 0.02 -0.90 0.00 -1.40 0.00 0.00 179.01 176.82 1vfi n PRO 77 N 3.00 -0.06 -1.60 0.00 -0.04 -1.11 -4.61 135.00 130.58 1vfi n PRO 77 Ca 0.25 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 63.18 1vfi n PRO 77 Cb 0.44 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.83 1vfi n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vfi n LYS 78 N -0.88 1.38 0.00 0.54 4.81 -1.26 -4.51 118.16 118.24 1vfi n LYS 78 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1vfi n LYS 78 Cb 0.00 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1vfi n LYS 78 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1vfi n HIS 79 N 7.49 0.00 -1.38 5.64 -0.00 -1.26 -5.09 115.22 120.62 1vfi n HIS 79 Ca 0.31 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1vfi n HIS 79 Cb 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1vfi n GLU 80 N -0.74 -3.89 0.01 1.57 4.71 -1.26 -4.95 120.64 116.08 1vfi n GLU 80 Ca 0.00 2.81 0.00 0.00 -0.01 0.00 0.00 57.16 59.96 1vfi n GLU 80 Cb 0.00 -3.11 0.00 0.00 -1.01 0.00 0.00 31.44 27.32 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1vfi n HIS 81 N 0.13 -0.12 -2.49 -0.32 1.44 -1.26 -4.82 115.22 107.78 1vfi n HIS 81 Ca 0.00 0.02 -0.42 0.00 -2.01 0.00 0.00 57.72 55.32 1vfi n HIS 81 Cb 0.00 0.22 0.01 0.00 0.12 0.00 0.00 29.99 30.33 1vfi n HIS 81 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1vfi n LYS 82 N -2.87 4.61 -3.61 -1.40 3.00 -1.26 -4.56 118.16 112.08 1vfi n LYS 82 Ca 0.00 -4.08 -0.36 0.00 -0.00 0.00 0.00 58.31 53.87 1vfi n LYS 82 Cb 0.26 -2.62 -0.06 0.00 0.00 0.00 0.00 35.03 32.61 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vfi s SER 83 N -0.54 6.64 0.08 3.14 0.15 -1.26 -4.90 113.70 117.01 1vfi s SER 83 Ca 0.41 0.77 -0.21 0.00 0.70 0.00 0.00 55.95 57.63 1vfi s SER 83 Cb 0.14 -2.17 -0.07 0.00 -1.71 0.00 0.00 66.02 62.20 1vfi s SER 83 CO -0.03 0.25 1.34 -0.78 1.20 0.00 0.00 173.24 175.22 1vfi h ASP 84 N 4.12 -1.19 0.16 5.45 3.58 -1.95 1.47 116.42 128.06 1vfi h ASP 84 Ca -0.50 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1vfi h ASP 84 Cb 1.20 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 1vfi h ASP 84 CO 0.64 -0.25 -0.11 0.00 -2.88 0.00 0.00 179.24 176.65 1vfi h THR 85 N -0.23 0.76 -0.19 2.25 1.03 -1.95 -2.47 112.91 112.12 1vfi h THR 85 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.47 1vfi h THR 85 Cb 0.37 0.76 -0.04 0.00 -1.07 0.00 0.00 68.15 68.16 1vfi h THR 85 CO -0.39 0.00 -0.32 0.00 -0.01 0.00 0.00 175.52 174.80 1vfi n ARG 87 N -4.23 -0.07 0.25 0.00 1.74 0.50 0.56 116.66 115.40 1vfi n ARG 87 Ca -0.02 1.37 -0.14 0.00 -0.77 0.00 0.00 57.85 58.28 1vfi n ARG 87 Cb 0.20 -2.24 -0.08 0.00 -1.02 0.00 0.00 32.46 29.32 1vfi n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vfi h ALA 88 N 1.86 -0.65 -0.95 7.54 0.00 -0.12 0.23 119.26 127.16 1vfi h ALA 88 Ca 0.62 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.61 1vfi h ALA 88 Cb 1.41 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.31 1vfi h ALA 88 CO -0.84 -0.72 0.45 0.00 0.00 0.00 0.00 179.25 178.14 1vfi h MET 90 N 0.34 -0.70 -1.17 0.00 2.07 0.35 -2.29 114.93 113.54 1vfi h MET 90 Ca 0.64 0.05 0.34 0.00 -2.07 0.00 0.00 59.70 58.66 1vfi h MET 90 Cb 1.34 0.16 -0.05 0.00 -1.87 0.00 0.00 31.60 31.18 1vfi h MET 90 CO -0.59 -0.46 0.87 -0.22 1.07 0.00 0.00 176.91 177.58 1vfi h LYS 91 N -1.00 0.00 0.38 1.72 3.64 0.74 1.02 116.57 123.07 1vfi h LYS 91 Ca -0.07 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1vfi h LYS 91 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1vfi h LYS 91 CO 0.12 0.00 -0.18 1.15 -2.27 0.00 0.00 179.45 178.27 1vfi h THR 92 N 0.00 0.57 0.00 1.00 2.02 0.26 -3.40 112.91 113.35 1vfi h THR 92 Ca 0.55 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1vfi h THR 92 Cb 2.30 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1vfi h THR 92 CO -0.01 0.09 -0.07 0.59 0.37 0.00 0.00 175.52 176.50 1vfi n ASN 93 N -5.19 0.53 -3.59 4.18 3.02 0.73 -4.80 115.26 110.13 1vfi n ASN 93 Ca -0.10 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1vfi n ASN 93 Cb 0.28 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64