#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 2.94 -0.98 4.38 1.04 -1.26 -5.06 113.70 114.76 1vfi s SER 2 Ca 0.00 -1.30 -0.24 0.00 0.48 0.00 0.00 55.95 54.90 1vfi s SER 2 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1vfi s SER 2 CO 0.00 -0.45 1.69 -1.61 0.98 0.00 0.00 173.24 173.85 1vfi s GLU 3 N -3.77 3.12 0.16 4.02 0.41 -1.26 -4.85 118.70 116.53 1vfi s GLU 3 Ca 0.33 -0.78 -0.24 0.00 -0.41 0.00 0.00 54.97 53.87 1vfi s GLU 3 Cb 0.07 -5.23 0.07 0.00 -1.78 0.00 0.00 34.13 27.26 1vfi s GLU 3 CO 0.15 -2.77 1.00 -0.06 -0.49 0.00 0.00 175.26 173.09 1vfi s PHE 4 N 7.35 -0.05 0.37 1.61 0.08 -1.26 -5.16 117.98 120.92 1vfi s PHE 4 Ca 0.57 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1vfi s PHE 4 Cb -0.03 0.66 0.00 0.00 -0.57 0.00 0.00 43.02 43.08 1vfi s PHE 4 CO -0.05 -0.84 0.00 0.00 -0.10 0.00 0.00 175.22 174.23 1vfi n ALA 5 N -0.55 -2.50 -1.70 5.36 0.00 -1.26 -4.88 120.51 114.98 1vfi n ALA 5 Ca -0.05 0.54 -0.33 0.00 0.00 0.00 0.00 53.44 53.60 1vfi n ALA 5 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.34 3.45 0.19 0.00 0.04 -1.26 -5.06 135.00 129.01 1vfi s PRO 6 Ca 0.00 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.29 1vfi s PRO 6 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1vfi s PRO 6 CO 0.00 -0.71 0.19 0.08 0.04 0.00 0.00 177.00 176.60 1vfi s VAL 7 N -2.42 4.65 0.29 -0.36 1.01 -1.26 -4.99 120.40 117.34 1vfi s VAL 7 Ca 0.63 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1vfi s VAL 7 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1vfi s VAL 7 CO 0.34 -0.17 0.25 0.47 0.00 0.00 0.00 175.10 175.99 1vfi n ASP 8 N -0.62 1.80 0.01 3.32 8.00 -1.26 -4.07 116.55 123.72 1vfi n ASP 8 Ca -0.08 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1vfi n ASP 8 Cb 0.55 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi h LYS 10 N 0.00 -0.28 -0.57 0.00 3.64 -1.98 0.17 116.57 117.55 1vfi h LYS 10 Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1vfi h LYS 10 Cb 0.00 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1vfi h LYS 10 CO 0.00 -0.19 0.14 0.78 -2.27 0.00 0.00 179.45 177.92 1vfi h GLY 11 N -0.29 0.94 -5.04 5.01 0.00 -2.02 -3.17 103.07 98.50 1vfi h GLY 11 Ca 0.14 -0.54 -0.65 0.00 0.00 0.00 0.00 47.33 46.29 1vfi h GLY 11 CO -0.64 0.51 3.24 -1.06 0.00 0.00 0.00 176.54 178.59 1vfi n GLN 12 N -4.27 3.73 -2.70 4.80 1.13 0.57 -3.97 117.38 116.67 1vfi n GLN 12 Ca 0.04 -2.34 -0.07 0.00 -1.94 0.00 0.00 57.00 52.69 1vfi n GLN 12 Cb 0.23 -2.70 0.12 0.00 0.11 0.00 0.00 30.24 27.99 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 -0.56 1.55 -0.04 0.00 -1.04 -1.25 -3.28 114.28 109.66 1vfi n THR 14 Ca -0.03 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.05 61.23 1vfi n THR 14 Cb 0.84 -1.38 -0.06 0.00 -1.82 0.00 0.00 70.33 67.91 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 0.02 1.24 0.00 12.58 2.02 -1.93 1.12 112.91 127.95 1vfi h THR 15 Ca -0.53 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1vfi h THR 15 Cb 1.97 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1vfi h THR 15 CO -0.03 0.22 0.00 1.55 0.37 0.00 0.00 175.52 177.63 1vfi h PRO 16 N -0.03 0.00 -0.05 6.66 0.13 -1.88 -2.83 132.00 134.00 1vfi h PRO 16 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1vfi h PRO 16 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1vfi h PRO 16 CO 0.00 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 177.43 1vfi h GLU 18 N 0.82 -0.03 -0.01 0.00 4.81 0.16 -2.36 114.58 117.97 1vfi h GLU 18 Ca 0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1vfi h GLU 18 Cb 1.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1vfi h GLU 18 CO 0.05 0.69 -0.77 -1.00 -0.73 0.00 0.00 179.01 177.25 1vfi h PRO 19 N -0.81 0.07 0.55 0.92 0.13 -1.83 -2.85 132.00 128.18 1vfi h PRO 19 Ca -0.00 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1vfi h PRO 19 Cb 0.73 0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.88 1vfi h PRO 19 CO 0.01 0.80 -0.26 1.25 -0.23 0.00 0.00 178.00 179.56 1vfi h LEU 20 N 0.04 -0.63 -0.71 1.56 5.85 -1.80 -1.24 115.31 118.39 1vfi h LEU 20 Ca -0.02 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1vfi h LEU 20 Cb 1.35 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 42.42 1vfi h LEU 20 CO 0.11 -0.37 -0.04 0.74 -0.34 0.00 0.00 178.44 178.54 1vfi h THR 21 N -0.90 0.37 -0.56 1.05 2.02 -1.52 1.13 112.91 114.51 1vfi h THR 21 Ca -0.08 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1vfi h THR 21 Cb 0.57 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1vfi h THR 21 CO 0.12 0.01 0.38 0.00 0.37 0.00 0.00 175.52 176.41 1vfi h ALA 22 N 1.67 2.01 0.19 6.16 0.00 -1.47 0.62 119.26 128.44 1vfi h ALA 22 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1vfi h ALA 22 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vfi h ALA 22 CO -0.65 -0.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.38 1vfi h LYS 24 N -0.64 0.27 0.08 0.00 1.57 0.25 -0.49 116.57 117.61 1vfi h LYS 24 Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vfi h LYS 24 Cb 0.46 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1vfi h LYS 24 CO 0.04 0.18 -0.06 0.93 -0.57 0.00 0.00 179.45 179.97 1vfi h GLU 25 N 0.27 -0.13 -0.99 3.15 4.39 0.23 1.31 114.58 122.81 1vfi h GLU 25 Ca 0.15 0.01 0.36 0.00 0.34 0.00 0.00 59.36 60.22 1vfi h GLU 25 Cb 0.11 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.61 1vfi h GLU 25 CO -0.15 -0.09 0.33 1.17 -1.16 0.00 0.00 179.01 179.12 1vfi n LYS 26 N -2.60 -0.07 0.14 2.33 0.00 0.33 0.13 118.16 118.42 1vfi n LYS 26 Ca -0.02 1.42 -0.13 0.00 0.00 0.00 0.00 58.31 59.58 1vfi n LYS 26 Cb 0.06 -2.43 -0.08 0.00 0.00 0.00 0.00 35.03 32.58 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 -0.17 1.56 0.41 0.00 0.00 0.98 1.63 119.26 123.67 1vfi h ALA 28 Ca -0.04 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 28 Cb 0.49 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1vfi h ALA 28 CO 0.06 -0.72 -0.20 0.93 0.00 0.00 0.00 179.25 179.33 1vfi h GLU 29 N 0.01 -0.53 0.00 0.00 4.39 -0.77 -2.47 114.58 115.21 1vfi h GLU 29 Ca 0.70 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.43 1vfi h GLU 29 Cb 1.63 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1vfi h GLU 29 CO -0.87 -0.25 -0.01 1.03 -1.16 0.00 0.00 179.01 177.75 1vfi h SER 30 N -0.76 0.00 -1.84 1.42 0.87 0.78 -1.58 113.55 112.44 1vfi h SER 30 Ca -0.06 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.81 1vfi h SER 30 Cb 0.52 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.15 1vfi h SER 30 CO 0.09 0.01 0.34 0.00 -0.53 0.00 0.00 176.83 176.74 1vfi s GLU 32 N -3.87 4.37 -0.54 0.00 2.02 -0.60 -3.64 118.70 116.43 1vfi s GLU 32 Ca 0.50 1.27 -0.01 0.00 0.02 0.00 0.00 54.97 56.75 1vfi s GLU 32 Cb 0.41 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 31.08 1vfi s GLU 32 CO -0.31 -0.35 0.03 0.25 0.02 0.00 0.00 175.26 174.90 1vfi n THR 33 N 4.69 -0.30 -2.62 3.63 -2.24 -1.26 -4.88 114.28 111.31 1vfi n THR 33 Ca 0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 1vfi n THR 33 Cb 0.48 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1vfi n THR 33 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vfi s SER 34 N -2.07 6.78 -0.26 3.42 0.01 -1.24 -4.93 113.70 115.42 1vfi s SER 34 Ca 0.03 1.64 -0.32 0.00 1.31 0.00 0.00 55.95 58.60 1vfi s SER 34 Cb -0.02 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1vfi s SER 34 CO 0.04 -0.47 2.15 0.00 0.41 0.00 0.00 173.24 175.37 1vfi n ALA 35 N -1.09 1.31 -2.71 1.44 0.00 -1.26 -1.94 120.51 116.25 1vfi n ALA 35 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1vfi n ALA 35 Cb 0.54 -2.68 0.02 0.00 0.00 0.00 0.00 19.45 17.33 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 10.04 -5.99 -0.36 0.00 8.00 -1.26 -4.52 116.55 122.46 1vfi n ASP 36 Ca 0.34 -0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 1vfi n ASP 36 Cb 0.32 -4.13 -0.04 0.00 -0.02 0.00 0.00 41.12 37.24 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 -0.10 -0.06 -0.10 -1.24 3.64 -1.71 0.13 116.57 117.13 1vfi h LYS 37 Ca -0.18 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1vfi h LYS 37 Cb 1.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1vfi h LYS 37 CO 0.26 -0.04 -0.07 0.87 -2.27 0.00 0.00 179.45 178.21 1vfi h LYS 38 N -0.06 -0.01 -0.73 1.90 6.56 -1.90 0.56 116.57 122.89 1vfi h LYS 38 Ca 0.22 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.91 1vfi h LYS 38 Cb 0.51 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.05 1vfi h LYS 38 CO -0.90 -0.01 -0.45 1.15 -2.06 0.00 0.00 179.45 177.18 1vfi h THR 39 N -0.01 0.05 -0.19 -0.16 2.02 -1.47 1.20 112.91 114.35 1vfi h THR 39 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1vfi h THR 39 Cb 0.05 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.48 1vfi h THR 39 CO -0.10 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.52 1vfi h ARG 41 N -0.21 0.00 -0.67 0.00 3.08 0.15 0.14 114.38 116.87 1vfi h ARG 41 Ca 0.03 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.22 1vfi h ARG 41 Cb 0.30 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 1vfi h ARG 41 CO -0.29 0.00 -0.14 -0.09 -1.07 0.00 0.00 179.97 178.38 1vfi h ARG 42 N 0.00 0.01 -0.63 0.04 9.65 0.30 1.11 114.38 124.86 1vfi h ARG 42 Ca 0.24 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1vfi h ARG 42 Cb 0.37 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 1vfi h ARG 42 CO -0.51 0.01 0.11 -0.91 2.80 0.00 0.00 179.97 181.47 1vfi h ASN 43 N 0.01 0.97 0.56 -3.80 2.35 0.13 -0.70 115.58 115.10 1vfi h ASN 43 Ca 0.33 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1vfi h ASN 43 Cb 0.51 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1vfi h ASN 43 CO -0.68 0.96 -0.09 0.00 -1.65 0.00 0.00 177.43 175.97 1vfi h LYS 45 N 0.00 0.00 0.00 0.00 3.64 0.25 -2.73 116.57 117.73 1vfi h LYS 45 Ca -0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1vfi h LYS 45 Cb 0.39 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1vfi h LYS 45 CO 0.01 0.00 -1.77 1.17 -2.27 0.00 0.00 179.45 176.60 1vfi n LYS 46 N -2.82 0.65 -0.09 1.90 3.00 0.08 -2.39 118.16 118.49 1vfi n LYS 46 Ca 0.02 0.04 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 1vfi n LYS 46 Cb 0.36 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.64 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vfi h ALA 47 N 1.54 -0.79 0.00 3.14 0.00 -1.00 -3.39 119.26 118.77 1vfi h ALA 47 Ca -0.19 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1vfi h ALA 47 Cb 1.52 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 20.23 1vfi h ALA 47 CO 0.02 -1.01 -0.26 -3.47 0.00 0.00 0.00 179.25 174.53 1vfi n ASP 48 N -5.16 -1.47 -0.61 0.00 -0.08 -1.25 -4.92 116.55 103.06 1vfi n ASP 48 Ca -0.04 -2.19 0.05 0.00 -1.51 0.00 0.00 54.79 51.10 1vfi n ASP 48 Cb 0.32 0.72 0.10 0.00 2.34 0.00 0.00 41.12 44.60 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vfi h GLU 50 N 0.47 0.02 -0.05 0.00 5.08 -1.77 -2.73 114.58 115.60 1vfi h GLU 50 Ca -0.05 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 1vfi h GLU 50 Cb 1.28 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.56 1vfi h GLU 50 CO 0.02 0.96 -0.92 -1.00 -1.00 0.00 0.00 179.01 177.08 1vfi h PRO 51 N -0.91 0.63 -0.34 2.33 0.13 -1.91 -2.65 132.00 129.28 1vfi h PRO 51 Ca -0.01 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1vfi h PRO 51 Cb 0.98 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1vfi h PRO 51 CO 0.01 1.22 0.22 1.96 -0.23 0.00 0.00 178.00 181.18 1vfi h GLN 52 N 0.39 0.45 -0.77 0.86 4.20 -1.85 -0.55 115.11 117.84 1vfi h GLN 52 Ca -0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1vfi h GLN 52 Cb 1.55 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 1vfi h GLN 52 CO 0.18 0.31 0.42 0.22 -0.67 0.00 0.00 178.83 179.29 1vfi h ASP 53 N 0.46 0.95 0.16 1.46 3.58 -1.53 -2.65 116.42 118.84 1vfi h ASP 53 Ca 0.12 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1vfi h ASP 53 Cb -0.04 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 1vfi h ASP 53 CO -0.03 0.77 -0.24 0.11 -2.88 0.00 0.00 179.24 176.98 1vfi h LYS 54 N 1.06 -0.45 -1.17 0.28 1.57 -1.03 -0.08 116.57 116.74 1vfi h LYS 54 Ca 0.27 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.42 1vfi h LYS 54 Cb 0.03 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 1vfi h LYS 54 CO -0.04 -0.30 0.78 0.28 -0.57 0.00 0.00 179.45 179.59 1vfi h VAL 55 N -0.46 0.38 0.53 0.50 2.07 -0.79 0.95 116.25 119.42 1vfi h VAL 55 Ca 0.02 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1vfi h VAL 55 Cb 0.47 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1vfi h VAL 55 CO -0.11 0.04 -0.25 0.00 0.02 0.00 0.00 177.57 177.27 1vfi h ASP 57 N -0.78 -1.30 -0.90 0.00 1.82 -0.26 0.56 116.42 115.57 1vfi h ASP 57 Ca -0.07 0.28 0.16 0.00 -0.39 0.00 0.00 57.03 57.00 1vfi h ASP 57 Cb 0.54 0.68 -0.16 0.00 0.68 0.00 0.00 39.33 41.08 1vfi h ASP 57 CO 0.12 -0.29 -0.32 0.00 -1.61 0.00 0.00 179.24 177.14 1vfi h ALA 58 N 1.26 0.31 0.12 -0.78 0.00 -1.01 1.64 119.26 120.80 1vfi h ALA 58 Ca 0.31 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.53 1vfi h ALA 58 Cb 0.58 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1vfi h ALA 58 CO -0.87 -0.54 -0.37 0.00 0.00 0.00 0.00 179.25 177.47 1vfi h ARG 60 N -0.61 0.00 0.01 0.00 3.08 0.89 0.71 114.38 118.46 1vfi h ARG 60 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1vfi h ARG 60 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.69 1vfi h ARG 60 CO -0.22 0.00 -0.35 1.98 -1.07 0.00 0.00 179.97 180.32 1vfi h MET 61 N 0.00 0.22 0.44 0.04 4.05 0.49 -2.78 114.93 117.39 1vfi h MET 61 Ca 0.13 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1vfi h MET 61 Cb 0.55 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1vfi h MET 61 CO -0.00 0.99 -0.21 0.87 0.23 0.00 0.00 176.91 178.78 1vfi h LYS 62 N -0.45 -0.57 -0.86 0.39 6.56 0.29 -3.03 116.57 118.90 1vfi h LYS 62 Ca -0.05 0.04 0.19 0.00 -1.06 0.00 0.00 60.65 59.77 1vfi h LYS 62 Cb 1.12 0.13 -0.16 0.00 -0.57 0.00 0.00 32.23 32.75 1vfi h LYS 62 CO 0.07 -0.27 -0.12 0.00 -2.06 0.00 0.00 179.45 177.07 1vfi h HIS 64 N 0.03 -0.43 0.09 0.00 6.17 -1.40 1.48 115.15 121.08 1vfi h HIS 64 Ca 0.45 0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.59 1vfi h HIS 64 Cb 0.76 0.30 0.00 0.00 2.52 0.00 0.00 27.41 31.00 1vfi h HIS 64 CO -0.58 -0.32 -0.04 -0.22 0.71 0.00 0.00 177.93 177.47 1vfi h LYS 65 N -0.01 -0.12 -0.88 5.26 3.64 0.79 -2.66 116.57 122.59 1vfi h LYS 65 Ca 0.34 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.96 1vfi h LYS 65 Cb 0.53 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.23 1vfi h LYS 65 CO -0.75 0.42 0.15 0.00 -2.27 0.00 0.00 179.45 177.00 1vfi h ALA 66 N -0.12 1.18 0.86 5.00 0.00 0.25 0.28 119.26 126.70 1vfi h ALA 66 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1vfi h ALA 66 Cb 0.59 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1vfi h ALA 66 CO 0.02 -0.49 -0.46 0.00 0.00 0.00 0.00 179.25 178.32 1vfi h ARG 68 N -1.21 -0.21 -0.29 0.00 2.43 -0.38 1.20 114.38 115.92 1vfi h ARG 68 Ca -0.12 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1vfi h ARG 68 Cb 0.95 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1vfi h ARG 68 CO 0.16 -0.14 0.19 0.00 -1.51 0.00 0.00 179.97 178.68 1vfi h ALA 69 N 0.26 1.94 -3.00 2.80 0.00 -0.50 -1.02 119.26 119.74 1vfi h ALA 69 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vfi h ALA 69 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vfi h ALA 69 CO -0.75 0.02 0.00 0.00 0.00 0.00 0.00 179.25 178.52 1vfi n ALA 70 N -2.52 0.00 -0.28 0.00 0.00 0.35 -4.55 120.51 113.50 1vfi n ALA 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vfi n ALA 70 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1vfi n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vfi n ASN 71 N 0.00 0.00 -4.44 0.00 3.02 0.24 -4.49 115.26 109.58 1vfi n ASN 71 Ca 0.00 0.86 -0.29 0.00 -0.03 0.00 0.00 54.58 55.12 1vfi n ASN 71 Cb 0.00 -0.36 0.19 0.00 -0.61 0.00 0.00 39.78 39.00 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vfi n ALA 73 N -4.27 0.00 0.01 0.00 0.00 -1.23 -4.09 120.51 110.93 1vfi n ALA 73 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1vfi n ALA 73 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 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 0.14 0.95 0.00 0.02 -1.92 -3.29 113.55 109.44 1vfi h SER 74 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1vfi h SER 74 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1vfi h SER 74 CO 0.00 1.22 0.00 -0.62 -1.14 0.00 0.00 176.83 176.29 1vfi n GLU 75 N -3.23 0.20 -3.58 3.45 -0.58 -1.26 -4.41 120.64 111.23 1vfi n GLU 75 Ca -0.17 0.35 -0.26 0.00 -0.42 0.00 0.00 57.16 56.66 1vfi n GLU 75 Cb 1.04 -1.83 -0.16 0.00 -0.57 0.00 0.00 31.44 29.91 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 5.28 -0.78 0.16 0.00 -0.04 -1.26 -4.43 135.00 133.93 1vfi n PRO 77 Ca -0.07 -0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.00 1vfi n PRO 77 Cb 0.48 -0.25 -0.04 0.00 -0.04 0.00 0.00 33.50 33.65 1vfi n PRO 77 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1vfi h LYS 78 N 0.00 -0.44 -5.04 0.54 1.57 -1.99 -3.40 116.57 107.80 1vfi h LYS 78 Ca -0.07 0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 58.09 1vfi h LYS 78 Cb 0.20 0.10 -0.24 0.00 0.08 0.00 0.00 32.23 32.37 1vfi h LYS 78 CO 0.05 -0.30 -0.67 -1.01 -0.57 0.00 0.00 179.45 176.95 1vfi s HIS 79 N -4.14 3.03 0.00 -1.35 3.76 -1.26 -5.08 115.29 110.25 1vfi s HIS 79 Ca -0.07 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1vfi s HIS 79 Cb 0.01 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1vfi s HIS 79 CO 0.23 -0.36 0.00 -0.85 -0.85 0.00 0.00 174.74 172.91 1vfi n GLU 80 N 4.59 1.10 -2.77 1.40 0.28 -1.26 -5.12 120.64 118.86 1vfi n GLU 80 Ca -0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.75 1vfi n GLU 80 Cb 0.51 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.43 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1vfi n HIS 81 N 0.00 -3.29 -3.39 -1.84 1.44 -1.26 -4.97 115.22 101.91 1vfi n HIS 81 Ca 0.00 -1.79 -0.20 0.00 -2.01 0.00 0.00 57.72 53.72 1vfi n HIS 81 Cb 0.00 1.49 0.06 0.00 0.12 0.00 0.00 29.99 31.67 1vfi n HIS 81 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vfi n LYS 82 N 1.74 -2.21 -2.20 -1.40 5.02 -1.26 -4.91 118.16 112.94 1vfi n LYS 82 Ca 0.10 0.74 -0.40 0.00 -2.02 0.00 0.00 58.31 56.73 1vfi n LYS 82 Cb 0.62 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.27 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vfi s SER 83 N -3.48 6.88 0.01 4.39 0.15 -1.26 -4.93 113.70 115.46 1vfi s SER 83 Ca 0.43 2.58 -0.25 0.00 0.70 0.00 0.00 55.95 59.42 1vfi s SER 83 Cb -0.09 -2.64 -0.17 0.00 -1.71 0.00 0.00 66.02 61.41 1vfi s SER 83 CO 0.78 -0.45 1.25 0.44 1.20 0.00 0.00 173.24 176.46 1vfi h ASP 84 N 3.45 -0.33 -0.03 5.45 3.32 -1.92 -0.44 116.42 125.92 1vfi h ASP 84 Ca -0.48 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.40 1vfi h ASP 84 Cb 1.22 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1vfi h ASP 84 CO 0.66 0.03 0.25 0.00 -1.72 0.00 0.00 179.24 178.45 1vfi h THR 85 N -0.73 0.05 0.00 0.35 1.03 -1.92 0.18 112.91 111.87 1vfi h THR 85 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1vfi h THR 85 Cb 0.49 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1vfi h THR 85 CO 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 175.52 175.55 1vfi h ARG 87 N -0.76 0.00 0.15 0.00 3.08 -0.30 0.89 114.38 117.44 1vfi h ARG 87 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1vfi h ARG 87 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1vfi h ARG 87 CO 0.00 0.00 -1.29 0.00 -1.07 0.00 0.00 179.97 177.61 1vfi h ALA 88 N 1.44 0.04 0.25 0.04 0.00 -0.77 -0.97 119.26 119.29 1vfi h ALA 88 Ca 0.27 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1vfi h ALA 88 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1vfi h ALA 88 CO -0.00 0.87 -0.12 0.00 0.00 0.00 0.00 179.25 180.00 1vfi h MET 90 N -0.86 0.00 -0.31 0.00 2.07 -0.09 1.01 114.93 116.74 1vfi h MET 90 Ca -0.03 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1vfi h MET 90 Cb 0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 1vfi h MET 90 CO 0.06 0.05 0.16 -0.22 1.07 0.00 0.00 176.91 178.02 1vfi h LYS 91 N 0.00 0.45 0.00 1.72 3.64 -1.11 0.49 116.57 121.76 1vfi h LYS 91 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1vfi h LYS 91 Cb 0.08 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vfi h LYS 91 CO 0.01 0.41 -0.16 1.15 -2.27 0.00 0.00 179.45 178.59 1vfi h THR 92 N 0.38 0.34 0.27 1.00 2.02 -0.92 -3.37 112.91 112.62 1vfi h THR 92 Ca 0.11 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1vfi h THR 92 Cb 0.11 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1vfi h THR 92 CO -0.01 0.12 -0.17 0.78 0.37 0.00 0.00 175.52 176.60 1vfi h ASN 93 N -1.00 -0.43 -0.10 4.18 2.35 0.94 -3.19 115.58 118.33 1vfi h ASN 93 Ca -0.02 0.02 -0.62 0.00 -0.55 0.00 0.00 56.30 55.14 1vfi h ASN 93 Cb 0.33 0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.84 1vfi h ASN 93 CO -0.01 -0.26 2.25 0.00 -1.65 0.00 0.00 177.43 177.76