#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 5.25 0.34 4.38 0.15 -1.26 -4.73 113.70 117.83 1vfi s SER 2 Ca 0.00 -1.14 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1vfi s SER 2 Cb 0.00 -2.57 0.61 0.00 -1.71 0.00 0.00 66.02 62.35 1vfi s SER 2 CO 0.00 -2.73 1.87 1.05 1.20 0.00 0.00 173.24 174.63 1vfi h GLU 3 N 10.50 0.47 -6.23 5.44 4.11 -2.13 -3.48 114.58 123.27 1vfi h GLU 3 Ca 0.16 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1vfi h GLU 3 Cb 0.98 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1vfi h GLU 3 CO 1.24 0.54 -0.71 0.34 0.07 0.00 0.00 179.01 180.48 1vfi n PHE 4 N -4.26 -0.25 -3.61 2.06 7.35 -1.26 -5.02 117.46 112.46 1vfi n PHE 4 Ca 0.01 0.13 -0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1vfi n PHE 4 Cb 0.26 -1.18 -0.05 0.00 0.35 0.00 0.00 39.48 38.86 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vfi s ALA 5 N -0.72 -1.06 0.86 3.13 0.00 -1.26 -5.17 121.76 117.54 1vfi s ALA 5 Ca -0.01 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 1vfi s ALA 5 Cb 0.00 0.62 0.11 0.00 0.00 0.00 0.00 23.12 23.85 1vfi s ALA 5 CO 0.05 -0.61 1.12 -1.25 0.00 0.00 0.00 175.76 175.07 1vfi s PRO 6 N -3.41 1.54 0.57 0.00 0.04 -1.26 -4.99 135.00 127.48 1vfi s PRO 6 Ca 0.00 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 1vfi s PRO 6 Cb 0.01 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1vfi s PRO 6 CO -0.09 -1.96 1.33 0.08 0.04 0.00 0.00 177.00 176.40 1vfi s VAL 7 N -3.22 2.13 -0.18 -0.36 1.01 -1.25 -4.94 120.40 113.58 1vfi s VAL 7 Ca 0.62 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.74 1vfi s VAL 7 Cb -0.15 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 33.05 1vfi s VAL 7 CO 0.54 -0.01 -0.11 -0.67 0.00 0.00 0.00 175.10 174.85 1vfi n ASP 8 N -1.27 2.17 0.00 3.32 2.03 -1.26 -4.21 116.55 117.33 1vfi n ASP 8 Ca 0.12 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1vfi n ASP 8 Cb 0.46 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 0.00 -0.18 0.00 4.81 -1.26 0.19 118.16 121.72 1vfi n LYS 10 Ca 0.00 0.61 -0.06 0.00 -0.87 0.00 0.00 58.31 57.99 1vfi n LYS 10 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 33.97 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 -0.12 1.18 3.14 0.00 -2.02 1.15 103.07 106.41 1vfi h GLY 11 Ca 0.00 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1vfi h GLY 11 CO 0.00 -0.21 0.37 1.46 0.00 0.00 0.00 176.54 178.17 1vfi h GLN 12 N -0.18 0.00 -2.36 4.80 1.08 -1.57 -1.84 115.11 115.04 1vfi h GLN 12 Ca 0.22 0.00 -0.80 0.00 -1.45 0.00 0.00 58.65 56.62 1vfi h GLN 12 Cb 0.54 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.73 1vfi h GLN 12 CO -0.64 0.00 1.31 0.00 -0.95 0.00 0.00 178.83 178.55 1vfi n THR 14 N 0.38 0.87 -0.05 0.00 -1.04 -0.69 -3.99 114.28 109.76 1vfi n THR 14 Ca 0.49 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 62.08 1vfi n THR 14 Cb 0.26 -1.25 -0.07 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.18 1.31 0.00 12.58 2.02 -1.84 1.30 112.91 128.09 1vfi h THR 15 Ca -0.36 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1vfi h THR 15 Cb 1.47 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1vfi h THR 15 CO -0.11 0.31 0.00 -0.81 0.37 0.00 0.00 175.52 175.28 1vfi n PRO 16 N -4.67 0.00 -0.17 6.66 -0.04 -1.26 -2.34 135.00 133.18 1vfi n PRO 16 Ca -0.06 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1vfi n PRO 16 Cb 0.28 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.45 -0.00 0.00 5.08 0.21 0.00 114.58 119.42 1vfi h GLU 18 Ca -0.00 0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1vfi h GLU 18 Cb 1.09 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1vfi h GLU 18 CO 0.00 -0.13 -0.76 -1.00 -1.00 0.00 0.00 179.01 176.11 1vfi h PRO 19 N -0.95 0.06 0.40 2.33 0.13 -1.83 -2.53 132.00 129.61 1vfi h PRO 19 Ca -0.05 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1vfi h PRO 19 Cb 0.52 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1vfi h PRO 19 CO 0.08 0.79 -0.19 1.25 -0.23 0.00 0.00 178.00 179.70 1vfi h LEU 20 N 0.04 -0.46 -0.16 1.56 7.12 -1.83 -1.66 115.31 119.91 1vfi h LEU 20 Ca -0.02 -0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.92 1vfi h LEU 20 Cb 1.35 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 41.54 1vfi h LEU 20 CO 0.10 -0.10 -0.19 0.74 -0.13 0.00 0.00 178.44 178.87 1vfi h THR 21 N -0.88 0.50 -0.65 1.05 2.02 -1.05 -0.96 112.91 112.95 1vfi h THR 21 Ca -0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.26 1vfi h THR 21 Cb 0.55 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1vfi h THR 21 CO 0.09 0.00 0.07 0.00 0.37 0.00 0.00 175.52 176.05 1vfi h ALA 22 N 0.82 0.72 -0.04 6.16 0.00 -1.47 1.49 119.26 126.94 1vfi h ALA 22 Ca 0.11 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1vfi h ALA 22 Cb 0.39 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1vfi h ALA 22 CO -0.30 -0.37 -0.32 0.00 0.00 0.00 0.00 179.25 178.27 1vfi h LYS 24 N -0.45 -0.42 0.07 0.00 1.57 0.26 -1.68 116.57 115.92 1vfi h LYS 24 Ca 0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1vfi h LYS 24 Cb 0.55 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1vfi h LYS 24 CO -0.29 -0.28 -0.24 1.49 -0.57 0.00 0.00 179.45 179.56 1vfi h GLU 25 N -0.44 -0.34 -0.97 3.15 4.22 0.26 1.47 114.58 121.92 1vfi h GLU 25 Ca -0.04 0.02 0.29 0.00 0.08 0.00 0.00 59.36 59.71 1vfi h GLU 25 Cb 0.34 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.48 1vfi h GLU 25 CO 0.07 -0.23 0.11 1.17 -2.18 0.00 0.00 179.01 177.95 1vfi n LYS 26 N -3.80 -0.07 -0.02 1.92 0.00 0.49 0.18 118.16 116.86 1vfi n LYS 26 Ca -0.04 1.44 -0.13 0.00 0.00 0.00 0.00 58.31 59.58 1vfi n LYS 26 Cb 0.19 -2.34 -0.08 0.00 0.00 0.00 0.00 35.03 32.80 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 0.64 1.64 0.40 0.00 0.00 1.28 0.52 119.26 123.74 1vfi h ALA 28 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vfi h ALA 28 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vfi h ALA 28 CO 0.00 0.02 -0.19 0.93 0.00 0.00 0.00 179.25 180.01 1vfi h GLU 29 N 0.83 -0.52 -0.13 0.00 4.39 0.14 -2.54 114.58 116.75 1vfi h GLU 29 Ca 0.56 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.33 1vfi h GLU 29 Cb 0.79 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1vfi h GLU 29 CO -0.35 -0.21 0.23 1.03 -1.16 0.00 0.00 179.01 178.55 1vfi h SER 30 N -0.93 0.00 -2.21 1.42 0.87 -0.11 -2.21 113.55 110.39 1vfi h SER 30 Ca -0.05 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.92 1vfi h SER 30 Cb 0.55 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 62.09 1vfi h SER 30 CO 0.09 0.00 -0.66 0.00 -0.53 0.00 0.00 176.83 175.73 1vfi h GLU 32 N 3.70 0.02 -1.29 0.00 5.08 -0.98 -3.40 114.58 117.70 1vfi h GLU 32 Ca 0.16 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.93 1vfi h GLU 32 Cb 0.63 0.01 -0.42 0.00 0.50 0.00 0.00 28.75 29.47 1vfi h GLU 32 CO 0.80 1.01 -0.78 -2.37 -1.00 0.00 0.00 179.01 176.67 1vfi n THR 33 N -4.43 2.34 -3.50 1.13 5.66 -1.26 -5.02 114.28 109.19 1vfi n THR 33 Ca -0.28 -4.65 -0.32 0.00 -3.05 0.00 0.00 64.05 55.75 1vfi n THR 33 Cb 0.66 -1.12 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 1vfi n THR 33 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1vfi s SER 34 N -3.54 6.60 0.05 1.09 0.15 -1.26 -5.01 113.70 111.78 1vfi s SER 34 Ca 0.48 0.82 -0.14 0.00 0.70 0.00 0.00 55.95 57.80 1vfi s SER 34 Cb 0.40 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1vfi s SER 34 CO -0.12 0.00 1.24 0.00 1.20 0.00 0.00 173.24 175.55 1vfi h ALA 35 N 2.82 -0.57 -2.40 5.45 0.00 -1.98 -3.02 119.26 119.55 1vfi h ALA 35 Ca -0.47 -0.01 -0.80 0.00 0.00 0.00 0.00 54.91 53.63 1vfi h ALA 35 Cb 1.17 0.83 -0.28 0.00 0.00 0.00 0.00 17.79 19.51 1vfi h ALA 35 CO 0.70 -0.67 0.54 -0.25 0.00 0.00 0.00 179.25 179.57 1vfi n ASP 36 N -3.82 5.74 0.23 0.00 8.00 -1.26 -4.85 116.55 120.59 1vfi n ASP 36 Ca -0.02 -3.13 -0.09 0.00 0.71 0.00 0.00 54.79 52.25 1vfi n ASP 36 Cb 0.15 -1.35 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 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 6.34 -0.59 -0.87 -1.24 3.64 -1.87 0.21 116.57 122.20 1vfi h LYS 37 Ca 0.18 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1vfi h LYS 37 Cb 0.81 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.63 1vfi h LYS 37 CO 1.10 -0.39 -0.49 -0.22 -2.27 0.00 0.00 179.45 177.18 1vfi h LYS 38 N -0.73 -0.07 0.13 1.90 1.63 -1.90 0.96 116.57 118.48 1vfi h LYS 38 Ca -0.06 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1vfi h LYS 38 Cb 0.47 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1vfi h LYS 38 CO 0.10 -0.05 -0.38 1.15 -3.45 0.00 0.00 179.45 176.82 1vfi h THR 39 N -0.08 0.22 -0.01 1.00 2.02 -1.96 0.50 112.91 114.61 1vfi h THR 39 Ca 0.22 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1vfi h THR 39 Cb 0.52 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1vfi h THR 39 CO -0.88 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 174.75 1vfi h ARG 41 N -0.33 0.24 -0.02 0.00 3.08 0.10 0.35 114.38 117.81 1vfi h ARG 41 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1vfi h ARG 41 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1vfi h ARG 41 CO -0.18 0.16 -0.05 0.00 -1.07 0.00 0.00 179.97 178.83 1vfi h ARG 42 N 0.25 0.08 -0.73 0.04 -0.00 0.29 -3.06 114.38 111.24 1vfi h ARG 42 Ca 0.68 -0.05 0.17 0.00 -0.50 0.00 0.00 59.98 60.28 1vfi h ARG 42 Cb 1.96 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 31.89 1vfi h ARG 42 CO -0.32 0.65 0.50 -0.97 0.00 0.00 0.00 179.97 179.83 1vfi h ASN 43 N -0.48 0.23 -0.97 7.04 -0.73 0.59 0.84 115.58 122.09 1vfi h ASN 43 Ca -0.00 0.02 0.33 0.00 1.87 0.00 0.00 56.30 58.51 1vfi h ASN 43 Cb 0.65 -0.03 -0.16 0.00 0.27 0.00 0.00 38.32 39.04 1vfi h ASN 43 CO 0.01 0.11 0.39 0.00 -0.37 0.00 0.00 177.43 177.57 1vfi h LYS 45 N 0.13 -0.31 0.00 0.00 3.64 -0.97 0.13 116.57 119.19 1vfi h LYS 45 Ca 0.71 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1vfi h LYS 45 Cb 1.67 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1vfi h LYS 45 CO -0.73 -0.21 0.00 1.63 -2.27 0.00 0.00 179.45 177.87 1vfi n LYS 46 N -5.28 0.09 0.02 1.90 4.76 0.36 -1.72 118.16 118.29 1vfi n LYS 46 Ca -0.07 0.16 -0.02 0.00 -2.87 0.00 0.00 58.31 55.51 1vfi n LYS 46 Cb 0.19 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vfi h ALA 47 N 2.71 -0.16 0.00 7.82 0.00 0.40 -3.46 119.26 126.57 1vfi h ALA 47 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1vfi h ALA 47 Cb 0.27 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1vfi h ALA 47 CO 0.00 -0.15 0.13 -3.47 0.00 0.00 0.00 179.25 175.76 1vfi n ASP 48 N -4.59 -1.12 -1.16 0.00 2.03 -0.15 -4.98 116.55 106.58 1vfi n ASP 48 Ca -0.02 -1.67 -0.00 0.00 0.52 0.00 0.00 54.79 53.61 1vfi n ASP 48 Cb 0.06 0.93 -0.01 0.00 -0.72 0.00 0.00 41.12 41.37 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 0.49 0.08 0.00 0.00 4.39 -1.61 -1.90 114.58 116.03 1vfi h GLU 50 Ca -0.30 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.16 1vfi h GLU 50 Cb 1.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 1vfi h GLU 50 CO -0.05 0.90 -0.69 -1.00 -1.16 0.00 0.00 179.01 177.01 1vfi h PRO 51 N -0.71 0.00 0.10 2.33 0.13 -1.91 -2.70 132.00 129.24 1vfi h PRO 51 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1vfi h PRO 51 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1vfi h PRO 51 CO 0.03 0.69 -0.05 1.96 -0.23 0.00 0.00 178.00 180.40 1vfi h GLN 52 N 0.00 -0.13 -0.77 0.86 4.20 -1.90 -1.83 115.11 115.55 1vfi h GLN 52 Ca -0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1vfi h GLN 52 Cb 1.28 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 1vfi h GLN 52 CO 0.09 0.33 0.50 0.22 -0.67 0.00 0.00 178.83 179.31 1vfi h ASP 53 N -0.66 0.65 0.67 1.46 3.58 -1.40 -1.12 116.42 119.60 1vfi h ASP 53 Ca -0.01 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1vfi h ASP 53 Cb 0.52 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.45 1vfi h ASP 53 CO 0.02 0.39 -0.32 0.11 -2.88 0.00 0.00 179.24 176.56 1vfi h LYS 54 N 0.72 -0.87 -0.80 0.28 1.57 -1.41 0.16 116.57 116.22 1vfi h LYS 54 Ca 0.35 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.38 1vfi h LYS 54 Cb 0.41 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.79 1vfi h LYS 54 CO -0.13 -0.55 0.17 0.28 -0.57 0.00 0.00 179.45 178.65 1vfi h VAL 55 N -1.02 0.40 0.40 0.50 2.07 -0.63 0.36 116.25 118.33 1vfi h VAL 55 Ca -0.09 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1vfi h VAL 55 Cb 0.72 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1vfi h VAL 55 CO 0.15 0.04 -0.19 0.00 0.02 0.00 0.00 177.57 177.59 1vfi h ASP 57 N -0.54 0.55 -0.51 0.00 3.58 0.24 0.50 116.42 120.23 1vfi h ASP 57 Ca -0.06 0.14 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1vfi h ASP 57 Cb 0.42 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 1vfi h ASP 57 CO 0.09 0.07 0.15 0.00 -2.88 0.00 0.00 179.24 176.67 1vfi h ALA 58 N 1.72 0.61 0.23 -0.78 0.00 0.33 0.59 119.26 121.96 1vfi h ALA 58 Ca 0.61 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.61 1vfi h ALA 58 Cb 1.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1vfi h ALA 58 CO -0.49 -0.25 -0.29 0.00 0.00 0.00 0.00 179.25 178.22 1vfi h ARG 60 N -0.57 0.00 0.10 0.00 3.08 -0.46 0.34 114.38 116.87 1vfi h ARG 60 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1vfi h ARG 60 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1vfi h ARG 60 CO -0.10 0.00 -1.69 1.98 -1.07 0.00 0.00 179.97 179.09 1vfi h MET 61 N 0.00 0.21 0.12 0.04 4.05 0.29 -3.24 114.93 116.40 1vfi h MET 61 Ca -0.00 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 1vfi h MET 61 Cb 0.01 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1vfi h MET 61 CO 0.00 1.02 -0.06 0.87 0.23 0.00 0.00 176.91 178.98 1vfi h LYS 62 N 0.06 -0.16 -0.66 0.39 6.56 0.34 -3.16 116.57 119.94 1vfi h LYS 62 Ca -0.30 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.39 1vfi h LYS 62 Cb 2.02 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 33.61 1vfi h LYS 62 CO 0.13 0.30 -0.48 0.00 -2.06 0.00 0.00 179.45 177.34 1vfi n HIS 64 N -5.38 -0.42 -0.00 0.00 -0.00 -1.22 0.19 115.22 108.38 1vfi n HIS 64 Ca 0.02 1.23 -0.11 0.00 -0.00 0.00 0.00 57.72 58.85 1vfi n HIS 64 Cb 0.34 -0.59 -0.06 0.00 -0.00 0.00 0.00 29.99 29.68 1vfi n HIS 64 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1vfi h LYS 65 N 0.00 0.11 -0.89 1.57 3.64 -0.80 -0.13 116.57 120.07 1vfi h LYS 65 Ca 0.16 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.75 1vfi h LYS 65 Cb 0.41 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.08 1vfi h LYS 65 CO -0.92 0.17 0.38 0.00 -2.27 0.00 0.00 179.45 176.81 1vfi h ALA 66 N 0.94 1.41 -0.12 5.00 0.00 0.57 1.49 119.26 128.54 1vfi h ALA 66 Ca 0.03 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1vfi h ALA 66 Cb 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vfi h ALA 66 CO -0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 179.25 178.46 1vfi h ARG 68 N 0.23 0.00 0.05 0.00 1.12 0.38 0.06 114.38 116.22 1vfi h ARG 68 Ca 0.02 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.52 1vfi h ARG 68 Cb 0.87 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.78 1vfi h ARG 68 CO 0.07 0.26 -2.20 0.00 -3.11 0.00 0.00 179.97 174.99 1vfi n ALA 69 N -2.49 1.24 -1.00 2.80 0.00 0.69 -2.66 120.51 119.10 1vfi n ALA 69 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1vfi n ALA 69 Cb 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.02 0.00 0.07 0.00 0.00 0.49 -4.51 120.51 113.55 1vfi n ALA 70 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 1vfi n ALA 70 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.40 -4.34 0.00 2.35 -1.43 -3.42 115.58 108.34 1vfi h ASN 71 Ca 0.00 0.03 -0.50 0.00 -0.55 0.00 0.00 56.30 55.28 1vfi h ASN 71 Cb 0.00 0.13 0.09 0.00 0.05 0.00 0.00 38.32 38.60 1vfi h ASN 71 CO 0.00 -0.18 0.37 0.00 -1.65 0.00 0.00 177.43 175.97 1vfi n ALA 73 N -3.15 0.00 0.47 0.00 0.00 -1.09 -3.09 120.51 113.66 1vfi n ALA 73 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1vfi n ALA 73 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1vfi n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfi n SER 74 N -0.62 0.96 0.15 0.00 7.64 -1.26 -4.31 113.62 116.19 1vfi n SER 74 Ca 0.00 -0.58 0.10 0.00 1.01 0.00 0.00 58.87 59.40 1vfi n SER 74 Cb 0.00 1.22 0.07 0.00 -1.01 0.00 0.00 64.21 64.49 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vfi h GLU 75 N 0.00 0.00 -4.10 1.43 4.39 -1.91 -3.40 114.58 110.98 1vfi h GLU 75 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1vfi h GLU 75 Cb 0.46 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.71 1vfi h GLU 75 CO 0.00 0.09 -0.70 0.00 -1.16 0.00 0.00 179.01 177.24 1vfi n PRO 77 N 3.97 -1.09 -3.04 0.00 -0.04 -1.26 -4.76 135.00 128.77 1vfi n PRO 77 Ca 0.04 -0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 62.44 1vfi n PRO 77 Cb 0.39 -0.52 -0.05 0.00 -0.04 0.00 0.00 33.50 33.28 1vfi n PRO 77 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vfi s LYS 78 N -3.93 4.45 -0.10 0.54 2.47 -1.26 -4.63 119.74 117.27 1vfi s LYS 78 Ca 0.25 0.98 -0.07 0.00 -1.56 0.00 0.00 55.97 55.57 1vfi s LYS 78 Cb -0.02 -3.35 0.03 0.00 -1.46 0.00 0.00 37.83 33.04 1vfi s LYS 78 CO 0.19 0.33 0.15 0.72 0.16 0.00 0.00 175.35 176.90 1vfi n HIS 79 N 2.68 -4.26 0.00 4.03 8.25 -1.26 -4.94 115.22 119.72 1vfi n HIS 79 Ca -0.04 2.50 0.00 0.00 -0.26 0.00 0.00 57.72 59.92 1vfi n HIS 79 Cb 0.50 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 27.95 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1vfi n GLU 80 N 1.83 0.00 0.00 -0.41 1.02 -1.26 -5.14 120.64 116.68 1vfi n GLU 80 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1vfi n GLU 80 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1vfi n GLU 80 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1vfi n HIS 81 N 0.00 0.00 -2.03 -0.32 8.25 -1.26 -4.45 115.22 115.42 1vfi n HIS 81 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1vfi n HIS 81 Cb 0.00 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 1vfi n HIS 81 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1vfi s LYS 82 N 0.00 2.44 0.81 -0.41 3.01 -1.26 -4.87 119.74 119.47 1vfi s LYS 82 Ca 0.00 -0.69 -0.11 0.00 -1.01 0.00 0.00 55.97 54.16 1vfi s LYS 82 Cb 0.00 -5.14 0.08 0.00 -1.01 0.00 0.00 37.83 31.76 1vfi s LYS 82 CO 0.00 -3.79 1.10 -1.54 0.51 0.00 0.00 175.35 171.63 1vfi s SER 83 N 7.40 4.08 0.07 2.83 1.04 -1.26 -4.60 113.70 123.25 1vfi s SER 83 Ca 0.70 1.85 -0.25 0.00 0.48 0.00 0.00 55.95 58.74 1vfi s SER 83 Cb -0.04 -2.49 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 1vfi s SER 83 CO 0.07 -2.31 1.39 0.44 0.98 0.00 0.00 173.24 173.81 1vfi h ASP 84 N -1.32 -1.05 0.28 7.02 3.32 -1.91 1.24 116.42 124.00 1vfi h ASP 84 Ca -0.44 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1vfi h ASP 84 Cb 1.24 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.16 1vfi h ASP 84 CO 0.50 -0.44 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1vfi h THR 85 N -0.64 0.00 0.19 0.35 1.03 -1.93 -1.93 112.91 109.98 1vfi h THR 85 Ca -0.03 -0.14 -0.01 0.00 -0.01 0.00 0.00 66.41 66.22 1vfi h THR 85 Cb 0.58 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1vfi h THR 85 CO -0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 175.52 175.31 1vfi h ARG 87 N -0.79 0.36 -0.37 0.00 3.08 0.17 0.88 114.38 117.71 1vfi h ARG 87 Ca -0.03 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1vfi h ARG 87 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1vfi h ARG 87 CO 0.04 0.24 -0.09 0.00 -1.07 0.00 0.00 179.97 179.09 1vfi h ALA 88 N 1.66 0.51 0.33 0.04 0.00 -1.41 1.16 119.26 121.56 1vfi h ALA 88 Ca 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1vfi h ALA 88 Cb 1.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1vfi h ALA 88 CO -0.38 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.09 1vfi h MET 90 N -0.68 0.00 0.32 0.00 2.07 0.30 0.30 114.93 117.24 1vfi h MET 90 Ca -0.05 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1vfi h MET 90 Cb 0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.19 1vfi h MET 90 CO 0.08 0.17 -0.28 -0.22 1.07 0.00 0.00 176.91 177.73 1vfi h LYS 91 N 0.00 -0.59 0.08 1.72 3.64 0.17 0.67 116.57 122.25 1vfi h LYS 91 Ca -0.00 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1vfi h LYS 91 Cb 0.36 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1vfi h LYS 91 CO 0.02 -0.40 -0.04 1.15 -2.27 0.00 0.00 179.45 177.92 1vfi h THR 92 N -0.62 0.23 0.03 1.00 2.02 -1.22 -3.31 112.91 111.04 1vfi h THR 92 Ca -0.02 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1vfi h THR 92 Cb 0.55 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1vfi h THR 92 CO -0.03 0.07 -0.03 0.78 0.37 0.00 0.00 175.52 176.69 1vfi h ASN 93 N -1.02 -0.07 -0.00 4.18 2.35 -0.49 -3.13 115.58 117.41 1vfi h ASN 93 Ca -0.01 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.05 1vfi h ASN 93 Cb 0.20 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1vfi h ASN 93 CO 0.02 -0.04 2.83 0.00 -1.65 0.00 0.00 177.43 178.59