#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi n SER 2 N 0.00 0.18 -3.44 4.38 2.88 -1.26 -5.04 113.62 111.33 1vfi n SER 2 Ca 0.00 0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 1vfi n SER 2 Cb 0.00 -0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.30 1vfi n SER 2 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1vfi s GLU 3 N -2.00 0.25 -0.20 -1.46 2.12 -1.26 -5.14 118.70 111.02 1vfi s GLU 3 Ca 0.00 0.30 -0.29 0.00 0.36 0.00 0.00 54.97 55.34 1vfi s GLU 3 Cb 0.00 -0.93 0.14 0.00 0.26 0.00 0.00 34.13 33.60 1vfi s GLU 3 CO 0.00 -0.67 1.05 -0.06 -0.54 0.00 0.00 175.26 175.04 1vfi s PHE 4 N 2.41 -0.34 0.00 5.30 0.08 -1.26 -5.16 117.98 119.01 1vfi s PHE 4 Ca 0.09 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1vfi s PHE 4 Cb -0.16 0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.74 1vfi s PHE 4 CO -0.14 -0.28 0.00 0.00 -0.10 0.00 0.00 175.22 174.69 1vfi n ALA 5 N 0.96 -0.24 -1.67 5.36 0.00 -1.26 -4.96 120.51 118.69 1vfi n ALA 5 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1vfi n ALA 5 Cb 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -3.51 3.31 0.00 0.00 0.04 -1.26 -4.90 135.00 128.68 1vfi s PRO 6 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1vfi s PRO 6 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1vfi s PRO 6 CO 0.00 -0.81 0.09 0.28 0.04 0.00 0.00 177.00 176.60 1vfi n VAL 7 N -2.18 0.00 -0.85 -0.36 0.31 -1.25 -5.05 118.33 108.95 1vfi n VAL 7 Ca 0.08 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1vfi n VAL 7 Cb 0.53 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1vfi n VAL 7 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vfi n ASP 8 N -0.72 -3.75 -3.64 4.52 8.00 -1.26 -4.70 116.55 114.99 1vfi n ASP 8 Ca 0.00 0.34 -0.41 0.00 0.71 0.00 0.00 54.79 55.43 1vfi n ASP 8 Cb 0.00 -1.86 -0.01 0.00 -0.02 0.00 0.00 41.12 39.23 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi n LYS 10 N 5.88 0.00 0.00 0.00 4.81 -1.26 -3.72 118.16 123.86 1vfi n LYS 10 Ca 0.55 0.02 0.09 0.00 -0.87 0.00 0.00 58.31 58.09 1vfi n LYS 10 Cb 0.36 -0.19 0.47 0.00 0.02 0.00 0.00 35.03 35.70 1vfi n LYS 10 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vfi n GLY 11 N 2.28 -0.77 0.07 3.14 0.00 -1.26 -1.95 105.19 106.69 1vfi n GLY 11 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1vfi n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vfi n GLN 12 N -1.20 0.66 -2.87 1.61 1.13 -1.26 -4.44 117.38 111.01 1vfi n GLN 12 Ca 0.10 -0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.78 1vfi n GLN 12 Cb 0.12 -1.61 -0.00 0.00 0.11 0.00 0.00 30.24 28.85 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vfi n THR 14 N 0.41 1.59 -0.12 0.00 -1.04 -1.26 -3.09 114.28 110.78 1vfi n THR 14 Ca 0.37 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 1vfi n THR 14 Cb 0.32 -1.62 -0.01 0.00 -1.82 0.00 0.00 70.33 67.19 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 -0.17 1.19 0.00 12.58 2.02 -1.94 1.45 112.91 128.04 1vfi h THR 15 Ca -0.53 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 1vfi h THR 15 Cb 1.87 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1vfi h THR 15 CO -0.08 0.21 -0.30 1.55 0.37 0.00 0.00 175.52 177.27 1vfi h PRO 16 N 0.43 0.00 -0.31 6.66 0.13 -1.88 -2.99 132.00 134.04 1vfi h PRO 16 Ca 0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 1vfi h PRO 16 Cb 0.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.22 1vfi h PRO 16 CO -0.01 0.30 -0.21 0.00 -0.23 0.00 0.00 178.00 177.85 1vfi h GLU 18 N 1.09 -0.00 -0.05 0.00 4.81 0.22 -2.86 114.58 117.79 1vfi h GLU 18 Ca 0.19 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.19 1vfi h GLU 18 Cb 1.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.87 1vfi h GLU 18 CO 0.35 0.88 -0.91 -1.00 -0.73 0.00 0.00 179.01 177.60 1vfi h PRO 19 N -0.89 0.59 0.60 0.92 0.13 -1.82 -2.81 132.00 128.72 1vfi h PRO 19 Ca -0.00 -0.57 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1vfi h PRO 19 Cb 0.88 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1vfi h PRO 19 CO 0.00 1.19 -0.47 1.25 -0.23 0.00 0.00 178.00 179.74 1vfi h LEU 20 N 0.36 -1.25 -0.47 1.56 5.85 -1.79 0.64 115.31 120.22 1vfi h LEU 20 Ca -0.08 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1vfi h LEU 20 Cb 1.54 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.87 1vfi h LEU 20 CO 0.17 -0.67 -0.11 0.74 -0.34 0.00 0.00 178.44 178.23 1vfi h THR 21 N -1.05 0.54 -0.32 1.05 2.02 -1.59 0.64 112.91 114.20 1vfi h THR 21 Ca -0.07 -0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.20 1vfi h THR 21 Cb 0.88 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1vfi h THR 21 CO 0.01 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.17 1vfi h ALA 22 N 1.46 2.17 0.40 6.16 0.00 -1.20 0.24 119.26 128.49 1vfi h ALA 22 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1vfi h ALA 22 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vfi h ALA 22 CO -0.47 -0.43 -0.19 0.00 0.00 0.00 0.00 179.25 178.15 1vfi h LYS 24 N -0.84 0.13 0.05 0.00 1.57 -0.50 -0.83 116.57 116.15 1vfi h LYS 24 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1vfi h LYS 24 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1vfi h LYS 24 CO 0.09 0.09 -0.09 0.93 -0.57 0.00 0.00 179.45 179.90 1vfi h GLU 25 N 0.13 -0.14 -0.98 3.15 4.39 -0.58 0.67 114.58 121.22 1vfi h GLU 25 Ca 0.32 0.01 0.41 0.00 0.34 0.00 0.00 59.36 60.45 1vfi h GLU 25 Cb 0.52 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.03 1vfi h GLU 25 CO -0.51 -0.09 0.52 1.17 -1.16 0.00 0.00 179.01 178.94 1vfi n LYS 26 N -2.90 -0.06 0.30 2.33 3.00 -0.30 0.11 118.16 120.64 1vfi n LYS 26 Ca -0.02 1.36 -0.14 0.00 -0.00 0.00 0.00 58.31 59.51 1vfi n LYS 26 Cb 0.07 -2.44 -0.07 0.00 0.00 0.00 0.00 35.03 32.59 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vfi h ALA 28 N -0.90 0.31 -0.04 0.00 0.00 0.68 1.33 119.26 120.64 1vfi h ALA 28 Ca -0.08 0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1vfi h ALA 28 Cb 0.65 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1vfi h ALA 28 CO 0.13 -0.54 -0.39 0.93 0.00 0.00 0.00 179.25 179.38 1vfi h GLU 29 N -0.02 -0.50 0.00 0.00 4.39 -0.80 0.22 114.58 117.86 1vfi h GLU 29 Ca 0.37 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1vfi h GLU 29 Cb 0.62 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1vfi h GLU 29 CO -0.93 -0.34 -0.05 0.77 -1.16 0.00 0.00 179.01 177.30 1vfi h SER 30 N -0.52 0.00 -1.91 1.42 0.02 0.19 -2.10 113.55 110.65 1vfi h SER 30 Ca 0.06 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.30 1vfi h SER 30 Cb 0.62 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.84 1vfi h SER 30 CO -0.33 0.05 0.44 0.00 -1.14 0.00 0.00 176.83 175.86 1vfi h GLU 32 N 3.02 0.35 -2.09 0.00 4.39 -0.51 -3.39 114.58 116.34 1vfi h GLU 32 Ca 0.46 -0.43 -0.56 0.00 0.34 0.00 0.00 59.36 59.18 1vfi h GLU 32 Cb 0.34 0.14 -0.40 0.00 -0.10 0.00 0.00 28.75 28.72 1vfi h GLU 32 CO 1.20 1.13 -0.94 0.25 -1.16 0.00 0.00 179.01 179.49 1vfi n THR 33 N -4.22 0.71 -4.18 1.13 -2.24 -1.26 -5.07 114.28 99.14 1vfi n THR 33 Ca -0.11 -4.66 -0.30 0.00 -2.27 0.00 0.00 64.05 56.71 1vfi n THR 33 Cb 0.70 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.31 1vfi n THR 33 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vfi s SER 34 N -2.11 4.71 0.01 3.42 0.15 -1.26 -5.04 113.70 113.58 1vfi s SER 34 Ca 0.39 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1vfi s SER 34 Cb 0.22 -1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1vfi s SER 34 CO -0.08 0.17 1.03 0.00 1.20 0.00 0.00 173.24 175.56 1vfi h ALA 35 N 3.42 -0.13 -3.01 5.45 0.00 -1.98 -3.21 119.26 119.79 1vfi h ALA 35 Ca -0.48 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.71 1vfi h ALA 35 Cb 1.17 0.93 -0.32 0.00 0.00 0.00 0.00 17.79 19.57 1vfi h ALA 35 CO 0.56 -0.15 -0.23 -0.51 0.00 0.00 0.00 179.25 178.92 1vfi s ASP 36 N -3.05 5.75 0.19 0.00 1.11 -1.26 -4.92 116.67 114.48 1vfi s ASP 36 Ca -0.01 -2.72 -0.12 0.00 0.18 0.00 0.00 52.55 49.89 1vfi s ASP 36 Cb 0.01 -1.98 0.19 0.00 1.07 0.00 0.00 42.92 42.21 1vfi s ASP 36 CO 0.04 -0.46 1.75 0.11 1.18 0.00 0.00 175.17 177.79 1vfi h LYS 37 N 7.39 0.38 0.27 8.23 1.57 -1.89 0.56 116.57 133.08 1vfi h LYS 37 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1vfi h LYS 37 Cb 0.99 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1vfi h LYS 37 CO 0.74 0.25 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.34 1vfi h LYS 38 N 0.39 -0.57 -0.60 3.15 1.63 -1.92 0.15 116.57 118.80 1vfi h LYS 38 Ca 0.25 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.21 1vfi h LYS 38 Cb 0.27 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 31.94 1vfi h LYS 38 CO -0.25 -0.38 0.09 1.15 -3.45 0.00 0.00 179.45 176.61 1vfi h THR 39 N -0.59 0.60 -0.15 1.00 2.02 -1.90 1.18 112.91 115.07 1vfi h THR 39 Ca -0.03 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1vfi h THR 39 Cb 0.52 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1vfi h THR 39 CO -0.06 0.04 -0.29 0.00 0.37 0.00 0.00 175.52 175.58 1vfi h ARG 41 N -0.25 -0.38 -0.60 0.00 3.08 -0.26 -0.40 114.38 115.58 1vfi h ARG 41 Ca 0.03 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1vfi h ARG 41 Cb 0.33 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 1vfi h ARG 41 CO -0.28 -0.25 -0.48 0.00 -1.07 0.00 0.00 179.97 177.89 1vfi h ARG 42 N -0.39 -0.15 -0.24 0.04 -0.00 0.20 1.30 114.38 115.13 1vfi h ARG 42 Ca -0.03 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.53 1vfi h ARG 42 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 1vfi h ARG 42 CO 0.03 -0.10 0.18 -0.97 0.00 0.00 0.00 179.97 179.11 1vfi h ASN 43 N -0.16 0.00 0.68 7.04 -0.73 0.79 0.76 115.58 123.95 1vfi h ASN 43 Ca 0.10 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1vfi h ASN 43 Cb 0.41 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1vfi h ASN 43 CO -0.65 0.00 -0.15 0.00 -0.37 0.00 0.00 177.43 176.26 1vfi h LYS 45 N 0.00 1.15 0.00 0.00 3.64 0.48 -2.28 116.57 119.56 1vfi h LYS 45 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1vfi h LYS 45 Cb 0.53 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1vfi h LYS 45 CO 0.02 0.99 -0.80 1.63 -2.27 0.00 0.00 179.45 179.03 1vfi n LYS 46 N -4.25 0.20 0.38 1.90 5.02 -0.85 -1.69 118.16 118.87 1vfi n LYS 46 Ca 0.06 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1vfi n LYS 46 Cb 0.24 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.57 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vfi h ALA 47 N 2.68 -1.06 -0.06 7.82 0.00 0.07 -3.41 119.26 125.29 1vfi h ALA 47 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1vfi h ALA 47 Cb 0.66 0.50 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 1vfi h ALA 47 CO 0.00 -1.11 -0.39 -3.47 0.00 0.00 0.00 179.25 174.29 1vfi n ASP 48 N -5.55 -1.35 -0.52 0.00 2.03 -1.13 -4.89 116.55 105.14 1vfi n ASP 48 Ca -0.14 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.86 1vfi n ASP 48 Cb 0.44 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h GLU 50 N 0.01 0.03 -0.05 0.00 5.08 -1.57 -0.64 114.58 117.45 1vfi h GLU 50 Ca -0.01 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 1vfi h GLU 50 Cb 1.33 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1vfi h GLU 50 CO 0.00 0.44 -0.92 -1.00 -1.00 0.00 0.00 179.01 176.53 1vfi h PRO 51 N -0.37 0.61 -0.35 2.33 0.13 -1.90 -2.79 132.00 129.65 1vfi h PRO 51 Ca 0.00 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1vfi h PRO 51 Cb 0.43 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1vfi h PRO 51 CO 0.00 1.21 0.22 1.96 -0.23 0.00 0.00 178.00 181.16 1vfi h GLN 52 N 0.37 0.47 -0.57 0.86 4.20 -1.88 0.24 115.11 118.80 1vfi h GLN 52 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1vfi h GLN 52 Cb 1.55 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1vfi h GLN 52 CO 0.17 0.34 0.30 0.22 -0.67 0.00 0.00 178.83 179.20 1vfi h ASP 53 N 0.47 0.70 0.78 1.46 1.82 -1.15 -2.46 116.42 118.03 1vfi h ASP 53 Ca 0.13 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1vfi h ASP 53 Cb -0.02 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 39.83 1vfi h ASP 53 CO -0.03 0.57 -0.37 0.11 -1.61 0.00 0.00 179.24 177.91 1vfi h LYS 54 N 0.79 -1.01 -1.25 0.28 1.57 -1.05 1.46 116.57 117.36 1vfi h LYS 54 Ca 0.20 0.07 0.36 0.00 -1.87 0.00 0.00 60.65 59.41 1vfi h LYS 54 Cb 0.04 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1vfi h LYS 54 CO -0.03 -0.67 1.09 0.28 -0.57 0.00 0.00 179.45 179.54 1vfi h VAL 55 N -1.20 0.15 0.00 0.50 2.07 -0.78 0.42 116.25 117.41 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 0.80 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1vfi h VAL 55 CO 0.18 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.40 1vfi n ASP 57 N -4.66 0.12 0.19 0.00 2.03 0.50 0.17 116.55 114.89 1vfi n ASP 57 Ca -0.05 1.23 -0.14 0.00 0.52 0.00 0.00 54.79 56.35 1vfi n ASP 57 Cb 0.19 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.91 1vfi n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h ALA 58 N 1.34 -0.50 -0.69 -1.67 0.00 -0.45 0.10 119.26 117.40 1vfi h ALA 58 Ca 0.92 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.84 1vfi h ALA 58 Cb 3.28 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 21.24 1vfi h ALA 58 CO -0.27 -0.62 0.59 0.00 0.00 0.00 0.00 179.25 178.94 1vfi h ARG 60 N 0.00 0.00 0.00 0.00 3.08 -0.59 -2.13 114.38 114.75 1vfi h ARG 60 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1vfi h ARG 60 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1vfi h ARG 60 CO -0.00 0.60 -0.20 0.00 -1.07 0.00 0.00 179.97 179.30 1vfi n MET 61 N -3.20 0.12 -0.08 0.04 0.00 0.53 -2.98 117.12 111.55 1vfi n MET 61 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 57.70 57.68 1vfi n MET 61 Cb 0.82 -1.61 -0.03 0.00 0.00 0.00 0.00 33.22 32.41 1vfi n MET 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1vfi n LYS 62 N -1.80 0.50 -0.33 3.17 5.02 0.47 -4.09 118.16 121.10 1vfi n LYS 62 Ca 0.06 0.32 0.20 0.00 -2.02 0.00 0.00 58.31 56.87 1vfi n LYS 62 Cb 0.38 -1.52 0.41 0.00 -0.02 0.00 0.00 35.03 34.27 1vfi n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vfi h HIS 64 N 0.38 -1.28 -0.55 0.00 6.17 -1.73 1.46 115.15 119.60 1vfi h HIS 64 Ca 0.67 0.05 -0.04 0.00 0.71 0.00 0.00 60.37 61.75 1vfi h HIS 64 Cb 1.42 0.57 -0.03 0.00 2.52 0.00 0.00 27.41 31.89 1vfi h HIS 64 CO -0.06 -0.44 0.17 -0.22 0.71 0.00 0.00 177.93 178.09 1vfi h LYS 65 N -0.48 0.82 0.66 5.26 3.64 -0.98 -1.89 116.57 123.60 1vfi h LYS 65 Ca 0.02 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1vfi h LYS 65 Cb 0.55 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1vfi h LYS 65 CO -0.33 0.71 -0.50 0.00 -2.27 0.00 0.00 179.45 177.07 1vfi h ALA 66 N 1.39 -1.20 -0.73 5.00 0.00 0.17 0.44 119.26 124.33 1vfi h ALA 66 Ca 0.18 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1vfi h ALA 66 Cb 0.23 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1vfi h ALA 66 CO -0.01 -1.20 0.16 0.00 0.00 0.00 0.00 179.25 178.20 1vfi h ARG 68 N 0.26 0.38 -0.03 0.00 1.12 -0.65 0.27 114.38 115.74 1vfi h ARG 68 Ca 0.41 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.26 1vfi h ARG 68 Cb 0.71 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1vfi h ARG 68 CO -0.52 0.25 0.00 0.00 -3.11 0.00 0.00 179.97 176.59 1vfi n ALA 69 N -2.32 2.60 -0.08 2.80 0.00 0.15 -1.85 120.51 121.81 1vfi n ALA 69 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1vfi n ALA 69 Cb 0.13 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.59 0.00 -0.09 0.00 0.00 0.35 -4.66 120.51 115.51 1vfi n ALA 70 Ca 0.15 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1vfi n ALA 70 Cb 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 0.00 0.00 0.00 2.35 -1.29 -3.39 115.58 113.26 1vfi h ASN 71 Ca 0.00 -0.25 -0.43 0.00 -0.55 0.00 0.00 56.30 55.08 1vfi h ASN 71 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1vfi h ASN 71 CO 0.00 1.12 2.54 0.00 -1.65 0.00 0.00 177.43 179.43 1vfi h ALA 73 N 6.64 0.65 0.00 0.00 0.00 -1.75 -3.31 119.26 121.50 1vfi h ALA 73 Ca 0.47 -1.36 -0.31 0.00 0.00 0.00 0.00 54.91 53.71 1vfi h ALA 73 Cb 0.26 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1vfi h ALA 73 CO 1.54 1.49 -1.72 0.45 0.00 0.00 0.00 179.25 181.01 1vfi n SER 74 N -3.15 1.90 -0.05 0.00 2.88 -1.26 -4.15 113.62 109.79 1vfi n SER 74 Ca -0.16 0.40 0.24 0.00 -1.33 0.00 0.00 58.87 58.02 1vfi n SER 74 Cb 1.04 -0.91 0.63 0.00 -0.75 0.00 0.00 64.21 64.23 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1vfi h GLU 75 N -1.00 0.00 -4.62 -1.46 3.07 -1.87 -3.18 114.58 105.52 1vfi h GLU 75 Ca -0.47 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.72 1vfi h GLU 75 Cb 1.40 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.93 1vfi h GLU 75 CO -0.28 0.00 -0.65 0.00 -1.40 0.00 0.00 179.01 176.67 1vfi s PRO 77 N 1.03 1.83 -1.01 0.00 0.04 -1.21 -4.75 135.00 130.92 1vfi s PRO 77 Ca 0.08 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 1vfi s PRO 77 Cb -0.21 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1vfi s PRO 77 CO -0.06 -1.78 2.26 1.17 0.04 0.00 0.00 177.00 178.63 1vfi n LYS 78 N -3.53 4.19 -1.92 4.56 0.00 -1.26 -4.01 118.16 116.19 1vfi n LYS 78 Ca 0.07 -3.60 -0.01 0.00 0.00 0.00 0.00 58.31 54.77 1vfi n LYS 78 Cb 0.57 -2.44 0.05 0.00 0.00 0.00 0.00 35.03 33.21 1vfi n LYS 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1vfi n HIS 79 N 0.76 -0.94 -3.74 5.64 -0.00 -1.26 -5.15 115.22 110.54 1vfi n HIS 79 Ca 0.54 -0.81 -0.09 0.00 0.46 0.00 0.00 57.72 57.83 1vfi n HIS 79 Cb 0.31 0.98 0.00 0.00 -0.12 0.00 0.00 29.99 31.16 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 -0.70 0.71 -0.01 1.57 4.71 -1.26 -5.09 120.64 120.58 1vfi n GLU 80 Ca -0.10 -1.86 -0.01 0.00 -0.01 0.00 0.00 57.16 55.18 1vfi n GLU 80 Cb 0.67 2.06 -0.00 0.00 -1.01 0.00 0.00 31.44 33.15 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 -0.41 0.00 -2.82 -0.32 1.44 -1.26 -4.98 115.22 106.87 1vfi n HIS 81 Ca -0.04 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.61 1vfi n HIS 81 Cb 0.44 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.51 1vfi n HIS 81 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1vfi n LYS 82 N -2.99 0.52 -1.82 -1.40 2.85 -1.26 -5.08 118.16 108.98 1vfi n LYS 82 Ca -0.03 -2.14 -0.33 0.00 -1.05 0.00 0.00 58.31 54.77 1vfi n LYS 82 Cb 0.52 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.45 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vfi s SER 83 N 0.65 5.18 0.04 -5.58 0.15 -1.26 -4.77 113.70 108.12 1vfi s SER 83 Ca 0.30 2.02 -0.21 0.00 0.70 0.00 0.00 55.95 58.76 1vfi s SER 83 Cb 0.02 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.66 1vfi s SER 83 CO -0.07 -1.58 1.33 -0.78 1.20 0.00 0.00 173.24 173.33 1vfi h ASP 84 N 0.17 -0.74 -1.14 5.45 1.82 -1.98 0.67 116.42 120.67 1vfi h ASP 84 Ca -0.47 0.04 0.33 0.00 -0.39 0.00 0.00 57.03 56.54 1vfi h ASP 84 Cb 1.25 0.22 -0.06 0.00 0.68 0.00 0.00 39.33 41.42 1vfi h ASP 84 CO 0.54 -0.43 0.81 0.00 -1.61 0.00 0.00 179.24 178.55 1vfi h THR 85 N -0.69 0.43 0.29 2.25 1.03 -1.93 0.22 112.91 114.51 1vfi h THR 85 Ca -0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1vfi h THR 85 Cb 0.56 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1vfi h THR 85 CO 0.05 0.01 -0.14 0.00 -0.01 0.00 0.00 175.52 175.43 1vfi h ARG 87 N -0.82 0.32 0.16 0.00 3.08 0.19 0.25 114.38 117.57 1vfi h ARG 87 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1vfi h ARG 87 Cb 0.29 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1vfi h ARG 87 CO 0.06 0.21 -0.08 0.00 -1.07 0.00 0.00 179.97 179.10 1vfi h ALA 88 N 1.82 -0.22 -0.98 0.04 0.00 -0.66 0.09 119.26 119.35 1vfi h ALA 88 Ca 0.73 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.73 1vfi h ALA 88 Cb 1.70 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.42 1vfi h ALA 88 CO -0.58 -0.33 0.48 0.00 0.00 0.00 0.00 179.25 178.82 1vfi h MET 90 N 0.25 -0.53 -0.48 0.00 2.07 -0.59 -2.78 114.93 112.87 1vfi h MET 90 Ca 0.71 0.04 0.14 0.00 -2.07 0.00 0.00 59.70 58.51 1vfi h MET 90 Cb 1.62 0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 31.45 1vfi h MET 90 CO -0.65 -0.35 0.55 -0.22 1.07 0.00 0.00 176.91 177.30 1vfi h LYS 91 N -1.07 0.00 0.58 1.72 3.64 0.65 0.18 116.57 122.26 1vfi h LYS 91 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1vfi h LYS 91 Cb 0.42 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1vfi h LYS 91 CO 0.09 0.00 -0.28 1.15 -2.27 0.00 0.00 179.45 178.14 1vfi h THR 92 N 0.00 0.20 0.00 1.00 2.02 0.18 -3.43 112.91 112.88 1vfi h THR 92 Ca 0.23 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1vfi h THR 92 Cb 1.32 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1vfi h THR 92 CO -0.00 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.51 1vfi n ASN 93 N -5.31 0.46 -3.77 4.18 3.02 -0.13 -4.75 115.26 108.95 1vfi n ASN 93 Ca -0.11 0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.15 1vfi n ASN 93 Cb 0.33 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.34 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64