#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi h SER 2 N 0.00 0.02 -3.36 9.51 0.87 -2.10 -3.49 113.55 115.00 1vfi h SER 2 Ca 0.00 -0.15 0.36 0.00 -1.23 0.00 0.00 61.79 60.77 1vfi h SER 2 Cb 0.00 -0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.81 1vfi h SER 2 CO 0.00 0.16 -0.93 -0.62 -0.53 0.00 0.00 176.83 174.91 1vfi n GLU 3 N -5.01 -3.09 -2.76 2.24 1.02 -1.26 -4.61 120.64 107.18 1vfi n GLU 3 Ca -0.07 2.34 -0.43 0.00 -0.02 0.00 0.00 57.16 58.98 1vfi n GLU 3 Cb 0.10 -3.70 -0.03 0.00 -0.02 0.00 0.00 31.44 27.78 1vfi n GLU 3 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1vfi s PHE 4 N -3.40 2.97 0.23 -0.32 0.40 -1.26 -5.03 117.98 111.57 1vfi s PHE 4 Ca 0.00 0.64 0.09 0.00 -0.60 0.00 0.00 56.93 57.07 1vfi s PHE 4 Cb 0.00 -3.94 -0.04 0.00 0.51 0.00 0.00 43.02 39.55 1vfi s PHE 4 CO 0.00 -1.02 -0.06 0.00 0.70 0.00 0.00 175.22 174.84 1vfi s ALA 5 N 3.80 3.04 1.04 5.36 0.00 -1.26 -5.14 121.76 128.60 1vfi s ALA 5 Ca 0.40 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1vfi s ALA 5 Cb -0.10 -0.71 0.09 0.00 0.00 0.00 0.00 23.12 22.40 1vfi s ALA 5 CO 0.24 0.35 0.42 -0.35 0.00 0.00 0.00 175.76 176.42 1vfi n PRO 6 N -0.50 -1.10 0.03 0.00 -0.04 -1.26 -4.99 135.00 127.14 1vfi n PRO 6 Ca -0.08 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.60 1vfi n PRO 6 Cb 0.58 -0.52 -0.13 0.00 -0.04 0.00 0.00 33.50 33.38 1vfi n PRO 6 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vfi h VAL 7 N -1.60 1.21 -3.65 0.52 2.07 -1.92 -3.51 116.25 109.37 1vfi h VAL 7 Ca -0.15 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.43 1vfi h VAL 7 Cb 0.43 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1vfi h VAL 7 CO 0.10 0.76 -0.88 -0.67 0.02 0.00 0.00 177.57 176.90 1vfi n ASP 8 N -3.29 -8.55 -2.41 0.57 2.03 -1.26 -4.93 116.55 98.71 1vfi n ASP 8 Ca -0.12 1.22 -0.09 0.00 0.52 0.00 0.00 54.79 56.32 1vfi n ASP 8 Cb 1.01 -4.60 -0.02 0.00 -0.72 0.00 0.00 41.12 36.79 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi n LYS 10 N -0.32 0.00 -0.30 0.00 4.81 -1.26 -3.50 118.16 117.59 1vfi n LYS 10 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.39 1vfi n LYS 10 Cb 0.20 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.41 1vfi n LYS 10 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1vfi h GLY 11 N 0.00 1.24 2.00 3.14 0.00 -2.00 -0.67 103.07 106.79 1vfi h GLY 11 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1vfi h GLY 11 CO 0.00 0.49 -0.14 1.46 0.00 0.00 0.00 176.54 178.34 1vfi h GLN 12 N 1.19 0.00 -2.57 4.80 1.08 -1.80 -3.16 115.11 114.64 1vfi h GLN 12 Ca 0.31 0.00 -0.79 0.00 -1.45 0.00 0.00 58.65 56.72 1vfi h GLN 12 Cb -0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.13 1vfi h GLN 12 CO -0.06 0.14 1.40 0.00 -0.95 0.00 0.00 178.83 179.36 1vfi n THR 14 N 0.92 1.60 -0.12 0.00 -1.04 -1.20 -3.04 114.28 111.41 1vfi n THR 14 Ca 0.46 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 1vfi n THR 14 Cb 0.28 -1.76 -0.01 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.40 1.14 0.00 12.58 2.02 -1.89 1.44 112.91 127.80 1vfi h THR 15 Ca -0.50 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1vfi h THR 15 Cb 1.75 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1vfi h THR 15 CO -0.13 0.14 -0.02 1.55 0.37 0.00 0.00 175.52 177.44 1vfi h PRO 16 N 0.47 0.00 -0.17 6.66 0.13 -1.90 -2.92 132.00 134.26 1vfi h PRO 16 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1vfi h PRO 16 Cb 0.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1vfi h PRO 16 CO -0.02 0.02 -0.31 0.00 -0.23 0.00 0.00 178.00 177.46 1vfi h GLU 18 N 1.01 -0.29 0.00 0.00 5.08 0.22 -1.72 114.58 118.88 1vfi h GLU 18 Ca 0.11 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1vfi h GLU 18 Cb 1.31 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1vfi h GLU 18 CO 0.19 -0.03 -0.42 -1.00 -1.00 0.00 0.00 179.01 176.75 1vfi h PRO 19 N -1.02 0.00 0.18 2.33 0.13 -1.83 -2.42 132.00 129.37 1vfi h PRO 19 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1vfi h PRO 19 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1vfi h PRO 19 CO 0.05 0.42 -0.09 1.25 -0.23 0.00 0.00 178.00 179.41 1vfi h LEU 20 N 0.00 -0.20 -0.03 1.56 7.12 -1.83 -2.42 115.31 119.51 1vfi h LEU 20 Ca -0.00 -0.32 0.02 0.00 0.13 0.00 0.00 57.88 57.71 1vfi h LEU 20 Cb 1.07 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1vfi h LEU 20 CO 0.06 0.27 -0.08 0.74 -0.13 0.00 0.00 178.44 179.29 1vfi h THR 21 N -0.74 0.79 -1.01 1.05 2.02 -1.34 -0.52 112.91 113.16 1vfi h THR 21 Ca -0.02 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.38 1vfi h THR 21 Cb 0.51 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 1vfi h THR 21 CO 0.04 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.55 1vfi h ALA 22 N 0.89 1.86 0.69 6.16 0.00 -1.49 1.05 119.26 128.42 1vfi h ALA 22 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1vfi h ALA 22 Cb 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1vfi h ALA 22 CO -0.11 -0.28 -0.33 0.00 0.00 0.00 0.00 179.25 178.53 1vfi h LYS 24 N -1.13 0.18 0.09 0.00 1.57 0.28 0.25 116.57 117.82 1vfi h LYS 24 Ca -0.10 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1vfi h LYS 24 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1vfi h LYS 24 CO 0.16 0.12 -0.08 0.93 -0.57 0.00 0.00 179.45 180.00 1vfi h GLU 25 N 0.18 -0.17 -0.98 3.15 4.39 0.12 0.38 114.58 121.64 1vfi h GLU 25 Ca 0.35 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.40 1vfi h GLU 25 Cb 0.57 0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 29.07 1vfi h GLU 25 CO -0.50 -0.11 0.29 1.17 -1.16 0.00 0.00 179.01 178.69 1vfi n LYS 26 N -2.77 -0.07 0.45 2.33 0.00 0.55 0.94 118.16 119.59 1vfi n LYS 26 Ca -0.02 1.41 -0.19 0.00 0.00 0.00 0.00 58.31 59.51 1vfi n LYS 26 Cb 0.08 -2.39 -0.09 0.00 0.00 0.00 0.00 35.03 32.63 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 -1.09 -0.30 0.07 0.00 0.00 0.49 1.41 119.26 119.83 1vfi h ALA 28 Ca -0.12 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1vfi h ALA 28 Cb 0.88 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1vfi h ALA 28 CO 0.19 -0.83 -0.38 0.93 0.00 0.00 0.00 179.25 179.16 1vfi h GLU 29 N -0.11 -0.55 0.00 0.00 4.39 -0.75 0.30 114.58 117.85 1vfi h GLU 29 Ca 0.21 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1vfi h GLU 29 Cb 0.53 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1vfi h GLU 29 CO -0.84 -0.37 0.04 1.03 -1.16 0.00 0.00 179.01 177.71 1vfi h SER 30 N -0.58 0.00 -2.09 1.42 0.87 0.15 -1.78 113.55 111.54 1vfi h SER 30 Ca 0.04 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.96 1vfi h SER 30 Cb 0.63 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.20 1vfi h SER 30 CO -0.26 0.00 -0.30 0.00 -0.53 0.00 0.00 176.83 175.75 1vfi s GLU 32 N -3.66 4.25 -0.48 0.00 2.02 -0.67 -3.84 118.70 116.32 1vfi s GLU 32 Ca 0.47 1.12 -0.04 0.00 0.02 0.00 0.00 54.97 56.54 1vfi s GLU 32 Cb 0.30 -3.62 0.04 0.00 0.10 0.00 0.00 34.13 30.95 1vfi s GLU 32 CO -0.17 -0.49 0.12 -2.37 0.02 0.00 0.00 175.26 172.37 1vfi n THR 33 N 5.09 -0.14 -2.73 3.63 5.66 -1.26 -4.85 114.28 119.68 1vfi n THR 33 Ca 0.07 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.71 1vfi n THR 33 Cb 0.47 -0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 1vfi n THR 33 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vfi s SER 34 N -2.23 7.17 -0.31 1.09 0.01 -1.25 -4.92 113.70 113.27 1vfi s SER 34 Ca 0.14 1.87 -0.37 0.00 1.31 0.00 0.00 55.95 58.90 1vfi s SER 34 Cb -0.08 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.44 1vfi s SER 34 CO 0.18 -0.19 2.02 0.00 0.41 0.00 0.00 173.24 175.65 1vfi n ALA 35 N 0.30 0.61 -2.55 1.44 0.00 -1.26 -0.94 120.51 118.11 1vfi n ALA 35 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1vfi n ALA 35 Cb 0.50 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 17.58 1vfi n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vfi n ASP 36 N 7.97 -4.32 -0.33 0.00 8.00 -1.26 -4.58 116.55 122.04 1vfi n ASP 36 Ca 0.36 -0.40 -0.04 0.00 0.71 0.00 0.00 54.79 55.41 1vfi n ASP 36 Cb 0.19 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1vfi n ASP 36 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1vfi h LYS 37 N -0.68 -0.07 -0.48 -1.24 3.64 -1.38 0.33 116.57 116.69 1vfi h LYS 37 Ca -0.35 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1vfi h LYS 37 Cb 1.18 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1vfi h LYS 37 CO 0.26 -0.04 -0.38 0.87 -2.27 0.00 0.00 179.45 177.88 1vfi h LYS 38 N -0.07 -0.12 -0.09 1.90 6.56 -1.91 0.65 116.57 123.50 1vfi h LYS 38 Ca 0.27 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.91 1vfi h LYS 38 Cb 0.56 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.18 1vfi h LYS 38 CO -0.88 -0.08 -0.36 1.15 -2.06 0.00 0.00 179.45 177.22 1vfi h THR 39 N -0.12 0.23 -0.36 -0.16 2.02 -1.22 1.30 112.91 114.60 1vfi h THR 39 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1vfi h THR 39 Cb 0.33 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1vfi h THR 39 CO -0.52 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 174.99 1vfi h ARG 41 N -0.21 0.22 -0.52 0.00 3.08 0.77 -0.30 114.38 117.42 1vfi h ARG 41 Ca 0.06 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1vfi h ARG 41 Cb 0.37 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 1vfi h ARG 41 CO -0.45 0.14 -0.09 0.00 -1.07 0.00 0.00 179.97 178.50 1vfi h ARG 42 N 0.23 0.03 -0.49 0.04 -0.00 0.39 1.37 114.38 115.94 1vfi h ARG 42 Ca 0.21 -0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.69 1vfi h ARG 42 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 1vfi h ARG 42 CO -0.27 0.02 0.33 -0.91 0.00 0.00 0.00 179.97 179.14 1vfi h ASN 43 N 0.03 0.56 -0.82 7.04 2.35 0.16 -1.53 115.58 123.37 1vfi h ASN 43 Ca 0.25 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1vfi h ASN 43 Cb 0.39 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1vfi h ASN 43 CO -0.50 0.41 0.42 0.00 -1.65 0.00 0.00 177.43 176.11 1vfi h LYS 45 N 1.15 0.00 0.00 0.00 3.11 0.27 0.80 116.57 121.91 1vfi h LYS 45 Ca 0.29 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.03 1vfi h LYS 45 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1vfi h LYS 45 CO -0.04 0.00 -0.90 -0.22 -2.81 0.00 0.00 179.45 175.48 1vfi h LYS 46 N 0.00 0.00 -0.42 1.90 1.63 -0.39 -1.53 116.57 117.76 1vfi h LYS 46 Ca 0.19 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 1vfi h LYS 46 Cb 0.87 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.42 1vfi h LYS 46 CO -0.00 0.24 -0.52 0.00 -3.45 0.00 0.00 179.45 175.73 1vfi h ALA 47 N 1.65 -0.66 0.00 5.00 0.00 0.19 -3.40 119.26 122.04 1vfi h ALA 47 Ca -0.06 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1vfi h ALA 47 Cb 1.32 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 20.07 1vfi h ALA 47 CO 0.04 -0.99 -0.12 -3.47 0.00 0.00 0.00 179.25 174.71 1vfi n ASP 48 N -5.39 -1.06 -0.39 0.00 2.03 -1.21 -4.94 116.55 105.59 1vfi n ASP 48 Ca -0.02 -1.80 0.04 0.00 0.52 0.00 0.00 54.79 53.53 1vfi n ASP 48 Cb 0.35 0.61 0.06 0.00 -0.72 0.00 0.00 41.12 41.42 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 0.08 -0.00 0.00 0.00 5.08 -1.71 -1.72 114.58 116.31 1vfi h GLU 50 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1vfi h GLU 50 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1vfi h GLU 50 CO 0.00 0.88 -0.23 -1.00 -1.00 0.00 0.00 179.01 177.67 1vfi h PRO 51 N -0.89 0.00 0.02 2.33 0.13 -1.90 -2.72 132.00 128.97 1vfi h PRO 51 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vfi h PRO 51 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1vfi h PRO 51 CO 0.00 0.23 -0.01 1.96 -0.23 0.00 0.00 178.00 179.95 1vfi h GLN 52 N 0.00 -0.02 -0.23 0.86 4.20 -1.86 -2.17 115.11 115.90 1vfi h GLN 52 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1vfi h GLN 52 Cb 0.93 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1vfi h GLN 52 CO 0.03 0.73 0.16 0.22 -0.67 0.00 0.00 178.83 179.30 1vfi h ASP 53 N -0.89 0.04 0.41 1.46 3.58 -1.35 -0.46 116.42 119.22 1vfi h ASP 53 Ca -0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1vfi h ASP 53 Cb 0.76 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1vfi h ASP 53 CO 0.00 0.03 -0.20 0.11 -2.88 0.00 0.00 179.24 176.31 1vfi h LYS 54 N 0.05 -0.53 -0.79 0.28 1.57 -1.51 0.30 116.57 115.95 1vfi h LYS 54 Ca 0.10 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.09 1vfi h LYS 54 Cb 0.36 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.65 1vfi h LYS 54 CO -0.01 -0.35 -0.09 0.28 -0.57 0.00 0.00 179.45 178.71 1vfi h VAL 55 N -0.94 0.25 0.43 0.50 2.07 -0.99 0.27 116.25 117.84 1vfi h VAL 55 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1vfi h VAL 55 Cb 0.42 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1vfi h VAL 55 CO 0.09 0.01 -0.29 0.00 0.02 0.00 0.00 177.57 177.41 1vfi h ASP 57 N -0.69 -0.90 -0.15 0.00 5.19 0.17 0.24 116.42 120.27 1vfi h ASP 57 Ca -0.04 0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1vfi h ASP 57 Cb 0.58 0.60 -0.05 0.00 0.18 0.00 0.00 39.33 40.65 1vfi h ASP 57 CO 0.03 -0.32 -0.35 0.00 -3.12 0.00 0.00 179.24 175.47 1vfi h ALA 58 N 1.97 -0.69 -0.79 3.45 0.00 -0.40 1.53 119.26 124.34 1vfi h ALA 58 Ca 0.47 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.48 1vfi h ALA 58 Cb 0.71 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 19.27 1vfi h ALA 58 CO -1.00 -0.83 -0.38 0.00 0.00 0.00 0.00 179.25 177.03 1vfi h ARG 60 N -0.09 0.76 -0.11 0.00 3.08 0.32 1.48 114.38 119.82 1vfi h ARG 60 Ca 0.27 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 1vfi h ARG 60 Cb 0.57 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1vfi h ARG 60 CO -0.83 0.50 -0.60 1.98 -1.07 0.00 0.00 179.97 179.96 1vfi h MET 61 N 0.79 0.37 0.00 0.04 4.05 1.33 -2.54 114.93 118.97 1vfi h MET 61 Ca 0.30 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1vfi h MET 61 Cb 0.20 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1vfi h MET 61 CO -0.10 0.86 -0.00 0.87 0.23 0.00 0.00 176.91 178.77 1vfi h LYS 62 N 0.28 -0.00 -0.90 0.39 6.56 0.36 -3.21 116.57 120.05 1vfi h LYS 62 Ca -0.00 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.76 1vfi h LYS 62 Cb 1.12 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.61 1vfi h LYS 62 CO 0.10 0.44 -0.24 0.00 -2.06 0.00 0.00 179.45 177.69 1vfi h HIS 64 N -0.01 -0.17 -0.06 0.00 6.17 -1.56 1.46 115.15 120.98 1vfi h HIS 64 Ca 0.42 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.55 1vfi h HIS 64 Cb 0.65 0.08 -0.05 0.00 2.52 0.00 0.00 27.41 30.61 1vfi h HIS 64 CO -0.71 -0.05 -0.23 0.87 0.71 0.00 0.00 177.93 178.51 1vfi h LYS 65 N -0.05 -0.32 -0.61 5.26 1.57 -1.03 -0.80 116.57 120.59 1vfi h LYS 65 Ca 0.01 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1vfi h LYS 65 Cb 0.07 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 1vfi h LYS 65 CO -0.05 -0.21 -0.46 0.00 -0.57 0.00 0.00 179.45 178.15 1vfi h ALA 66 N 0.57 -0.38 -0.60 3.86 0.00 0.25 0.84 119.26 123.81 1vfi h ALA 66 Ca 0.08 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1vfi h ALA 66 Cb 0.44 1.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1vfi h ALA 66 CO -0.25 -0.86 -0.06 0.00 0.00 0.00 0.00 179.25 178.08 1vfi h ARG 68 N 0.06 0.54 -0.03 0.00 2.43 0.14 0.44 114.38 117.95 1vfi h ARG 68 Ca 0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1vfi h ARG 68 Cb 0.48 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1vfi h ARG 68 CO -0.56 0.36 0.00 0.00 -1.51 0.00 0.00 179.97 178.25 1vfi n ALA 69 N -2.33 2.59 -0.03 2.80 0.00 0.24 -1.52 120.51 122.27 1vfi n ALA 69 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1vfi n ALA 69 Cb 0.14 -1.26 -0.01 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 -0.55 0.29 -0.08 0.00 0.00 0.49 -4.72 120.51 115.93 1vfi n ALA 70 Ca 0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1vfi n ALA 70 Cb 0.12 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.33 0.00 0.00 0.00 2.35 -0.46 -3.38 115.58 113.76 1vfi h ASN 71 Ca 0.00 -0.29 -0.42 0.00 -0.55 0.00 0.00 56.30 55.03 1vfi h ASN 71 Cb 0.33 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.72 1vfi h ASN 71 CO 0.00 1.07 2.54 0.00 -1.65 0.00 0.00 177.43 179.39 1vfi n ALA 73 N 4.79 3.06 -0.05 0.00 0.00 -1.21 -3.19 120.51 123.92 1vfi n ALA 73 Ca 0.45 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1vfi n ALA 73 Cb 0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 1vfi n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vfi n SER 74 N -2.19 1.57 -0.27 0.00 2.88 -1.26 -4.32 113.62 110.02 1vfi n SER 74 Ca 0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.69 1vfi n SER 74 Cb 0.48 1.14 0.53 0.00 -0.75 0.00 0.00 64.21 65.62 1vfi n SER 74 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vfi n GLU 75 N -2.34 1.09 -3.33 -1.46 -0.58 -1.26 -4.52 120.64 108.24 1vfi n GLU 75 Ca -0.16 -0.55 -0.13 0.00 -0.42 0.00 0.00 57.16 55.91 1vfi n GLU 75 Cb 0.75 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 1vfi n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vfi n PRO 77 N 4.50 0.37 -0.18 0.00 -0.04 -1.26 -4.59 135.00 133.79 1vfi n PRO 77 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1vfi n PRO 77 Cb 0.48 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1vfi n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1vfi h LYS 78 N 0.00 -0.01 -4.61 0.54 1.63 -2.00 -3.29 116.57 108.84 1vfi h LYS 78 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 1vfi h LYS 78 Cb 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 31.29 1vfi h LYS 78 CO 0.00 -0.00 -0.62 -1.01 -3.45 0.00 0.00 179.45 174.37 1vfi s HIS 79 N -4.13 3.49 -0.11 1.91 3.76 -1.26 -4.93 115.29 114.03 1vfi s HIS 79 Ca -0.05 -2.28 -0.05 0.00 -0.15 0.00 0.00 55.06 52.53 1vfi s HIS 79 Cb 0.05 -2.80 -0.26 0.00 1.11 0.00 0.00 32.58 30.68 1vfi s HIS 79 CO 0.28 -0.91 0.40 -0.85 -0.85 0.00 0.00 174.74 172.81 1vfi n GLU 80 N 4.57 0.75 -3.18 1.40 -0.00 -1.24 -5.04 120.64 117.89 1vfi n GLU 80 Ca -0.05 0.27 -0.09 0.00 -0.00 0.00 0.00 57.16 57.28 1vfi n GLU 80 Cb 0.42 -1.72 0.01 0.00 -0.00 0.00 0.00 31.44 30.15 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1vfi n HIS 81 N -3.44 -1.33 -2.37 -1.84 1.44 -1.26 -3.32 115.22 103.11 1vfi n HIS 81 Ca -0.30 0.57 -0.21 0.00 -2.01 0.00 0.00 57.72 55.76 1vfi n HIS 81 Cb 1.05 -1.74 0.02 0.00 0.12 0.00 0.00 29.99 29.44 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 0.80 -1.04 -3.45 -1.40 2.85 -1.26 -4.89 118.16 109.76 1vfi n LYS 82 Ca -0.01 0.77 -0.25 0.00 -1.05 0.00 0.00 58.31 57.76 1vfi n LYS 82 Cb 0.47 -1.08 -0.02 0.00 -0.65 0.00 0.00 35.03 33.76 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 -0.79 6.34 0.04 -5.58 0.15 -1.21 -5.01 113.70 107.64 1vfi s SER 83 Ca 0.21 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 57.26 1vfi s SER 83 Cb -0.02 -2.04 -0.30 0.00 -1.71 0.00 0.00 66.02 61.95 1vfi s SER 83 CO 0.47 -0.22 1.03 -0.78 1.20 0.00 0.00 173.24 174.94 1vfi h ASP 84 N 1.14 0.53 1.25 5.45 3.58 -1.91 -2.55 116.42 123.90 1vfi h ASP 84 Ca -0.49 -0.60 -0.09 0.00 0.42 0.00 0.00 57.03 56.27 1vfi h ASP 84 Cb 1.21 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1vfi h ASP 84 CO 0.63 1.48 -0.42 0.00 -2.88 0.00 0.00 179.24 178.05 1vfi h THR 85 N 0.09 0.80 0.02 2.25 1.03 -1.95 -2.84 112.91 112.31 1vfi h THR 85 Ca -0.19 -1.85 -0.00 0.00 -0.01 0.00 0.00 66.41 64.36 1vfi h THR 85 Cb 2.03 2.19 0.00 0.00 -1.07 0.00 0.00 68.15 71.30 1vfi h THR 85 CO 0.21 0.41 -0.01 0.00 -0.01 0.00 0.00 175.52 176.12 1vfi h ARG 87 N -0.07 0.06 0.27 0.00 3.08 -1.58 0.97 114.38 117.11 1vfi h ARG 87 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1vfi h ARG 87 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1vfi h ARG 87 CO 0.00 0.04 -0.13 0.00 -1.07 0.00 0.00 179.97 178.82 1vfi h ALA 88 N 1.49 -0.36 0.61 0.04 0.00 -1.56 -0.12 119.26 119.37 1vfi h ALA 88 Ca 0.83 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.58 1vfi h ALA 88 Cb 2.76 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.68 1vfi h ALA 88 CO -0.34 -0.62 -0.46 0.00 0.00 0.00 0.00 179.25 177.84 1vfi h MET 90 N -1.03 0.02 -0.63 0.00 2.07 -0.92 0.47 114.93 114.91 1vfi h MET 90 Ca -0.07 -0.00 0.11 0.00 -2.07 0.00 0.00 59.70 57.67 1vfi h MET 90 Cb 0.86 -0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 30.47 1vfi h MET 90 CO 0.02 0.01 -0.32 -0.22 1.07 0.00 0.00 176.91 177.48 1vfi h LYS 91 N 0.02 -0.13 0.00 1.72 3.64 0.48 0.58 116.57 122.89 1vfi h LYS 91 Ca 0.59 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.89 1vfi h LYS 91 Cb 2.30 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 34.14 1vfi h LYS 91 CO -0.03 -0.08 -1.17 2.41 -2.27 0.00 0.00 179.45 178.31 1vfi n THR 92 N -5.44 1.42 -0.32 1.00 -1.04 0.09 -4.00 114.28 105.99 1vfi n THR 92 Ca 0.05 0.07 0.16 0.00 -2.04 0.00 0.00 64.05 62.29 1vfi n THR 92 Cb 0.36 -2.13 0.33 0.00 -1.82 0.00 0.00 70.33 67.07 1vfi n THR 92 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1vfi h ASN 93 N -0.83 -0.14 -2.35 8.00 2.35 -0.29 -0.41 115.58 121.91 1vfi h ASN 93 Ca -0.14 0.24 -0.65 0.00 -0.55 0.00 0.00 56.30 55.21 1vfi h ASN 93 Cb 0.99 0.35 -0.39 0.00 0.05 0.00 0.00 38.32 39.32 1vfi h ASN 93 CO -0.08 -0.27 -0.27 0.00 -1.65 0.00 0.00 177.43 175.15