#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r h LYS 2 N 0.00 0.28 -6.27 2.12 1.57 -1.89 -3.33 116.57 109.04 1p6r h LYS 2 Ca 0.00 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.21 1p6r h LYS 2 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1p6r h LYS 2 CO 0.00 0.18 0.87 0.15 -0.57 0.00 0.00 179.45 180.09 1p6r s LYS 3 N -6.17 4.26 -0.05 3.15 1.02 -1.26 -4.54 119.74 116.15 1p6r s LYS 3 Ca -0.13 1.86 -0.15 0.00 0.02 0.00 0.00 55.97 57.56 1p6r s LYS 3 Cb 0.10 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1p6r s LYS 3 CO 0.70 -0.64 0.41 0.96 -0.92 0.00 0.00 175.35 175.86 1p6r s ILE 4 N 2.98 5.10 0.31 2.17 -4.36 -1.24 -3.90 121.20 122.26 1p6r s ILE 4 Ca 0.61 0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 61.64 1p6r s ILE 4 Cb -0.27 -3.72 -0.09 0.00 1.25 0.00 0.00 42.46 39.62 1p6r s ILE 4 CO 0.22 0.50 0.80 -2.16 0.24 0.00 0.00 174.94 174.54 1p6r s PRO 5 N -0.50 4.21 -0.47 0.37 0.04 -1.06 -4.85 135.00 132.73 1p6r s PRO 5 Ca 0.23 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.21 1p6r s PRO 5 Cb -0.16 -2.60 0.14 0.00 0.04 0.00 0.00 34.50 31.92 1p6r s PRO 5 CO 0.11 0.23 0.26 1.14 0.04 0.00 0.00 177.00 178.78 1p6r s GLN 6 N -2.54 1.50 -0.29 4.56 0.00 -1.26 -4.46 119.66 117.18 1p6r s GLN 6 Ca 0.51 -2.22 -0.29 0.00 -0.00 0.00 0.00 55.36 53.36 1p6r s GLN 6 Cb -0.13 -2.61 0.01 0.00 0.00 0.00 0.00 33.01 30.28 1p6r s GLN 6 CO 0.19 -1.16 1.04 0.42 0.00 0.00 0.00 175.29 175.78 1p6r s ILE 7 N 0.10 4.59 0.68 3.63 -1.09 -1.26 -5.05 121.20 122.80 1p6r s ILE 7 Ca 0.18 1.79 -0.07 0.00 -2.23 0.00 0.00 60.65 60.32 1p6r s ILE 7 Cb -0.23 -4.36 0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1p6r s ILE 7 CO -0.01 -0.36 1.01 -0.94 -1.23 0.00 0.00 174.94 173.40 1p6r s SER 8 N 1.50 5.09 0.17 3.58 1.04 -1.26 -4.82 113.70 119.00 1p6r s SER 8 Ca 0.44 0.64 -0.20 0.00 0.48 0.00 0.00 55.95 57.31 1p6r s SER 8 Cb -0.13 -1.40 0.08 0.00 0.10 0.00 0.00 66.02 64.67 1p6r s SER 8 CO 0.12 -1.44 1.63 -0.78 0.98 0.00 0.00 173.24 173.75 1p6r h ASP 9 N -0.52 -0.73 -0.32 7.02 3.58 -1.98 0.15 116.42 123.61 1p6r h ASP 9 Ca -0.45 0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.22 1p6r h ASP 9 Cb 1.29 0.37 -0.06 0.00 1.72 0.00 0.00 39.33 42.66 1p6r h ASP 9 CO 0.61 -0.25 -0.04 0.00 -2.88 0.00 0.00 179.24 176.68 1p6r h ALA 10 N 1.03 0.25 -0.70 -0.78 0.00 -2.01 -1.27 119.26 115.78 1p6r h ALA 10 Ca 0.18 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1p6r h ALA 10 Cb 0.44 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1p6r h ALA 10 CO -0.46 -0.44 0.43 0.93 0.00 0.00 0.00 179.25 179.71 1p6r h GLU 11 N 0.04 0.95 -0.85 0.00 5.08 -1.77 -2.51 114.58 115.53 1p6r h GLU 11 Ca 0.16 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1p6r h GLU 11 Cb 0.23 -0.20 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 1p6r h GLU 11 CO -0.30 0.67 0.45 1.25 -1.00 0.00 0.00 179.01 180.09 1p6r h LEU 12 N 0.96 0.57 -0.26 1.33 7.12 0.40 0.09 115.31 125.51 1p6r h LEU 12 Ca 0.25 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.38 1p6r h LEU 12 Cb -0.04 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1p6r h LEU 12 CO -0.05 0.26 0.05 -0.33 -0.13 0.00 0.00 178.44 178.24 1p6r h GLU 13 N 0.66 0.14 -0.58 1.25 4.39 -0.91 0.21 114.58 119.75 1p6r h GLU 13 Ca 0.45 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.09 1p6r h GLU 13 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1p6r h GLU 13 CO -0.34 0.09 0.17 -0.39 -1.16 0.00 0.00 179.01 177.38 1p6r h VAL 14 N 0.15 1.24 -0.26 3.13 -1.51 -1.15 -0.27 116.25 117.57 1p6r h VAL 14 Ca 0.12 -0.84 0.04 0.00 -1.23 0.00 0.00 66.70 64.79 1p6r h VAL 14 Cb 0.13 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 29.95 1p6r h VAL 14 CO -0.17 0.31 0.05 0.24 -1.23 0.00 0.00 177.57 176.78 1p6r h MET 15 N 0.82 0.14 -0.32 5.19 2.86 -0.58 0.02 114.93 123.07 1p6r h MET 15 Ca 0.18 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1p6r h MET 15 Cb 0.31 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1p6r h MET 15 CO -0.00 0.09 0.04 -0.22 1.06 0.00 0.00 176.91 177.88 1p6r h LYS 16 N 0.15 0.13 -0.05 1.72 3.64 -0.23 0.14 116.57 122.08 1p6r h LYS 16 Ca 0.12 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1p6r h LYS 16 Cb 0.13 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1p6r h LYS 16 CO -0.16 0.09 -0.14 0.28 -2.27 0.00 0.00 179.45 177.25 1p6r h VAL 17 N 0.14 0.65 -0.65 2.00 2.07 -0.53 0.33 116.25 120.26 1p6r h VAL 17 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1p6r h VAL 17 Cb 0.18 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1p6r h VAL 17 CO -0.22 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.10 1p6r h ILE 18 N -0.21 0.90 -0.00 4.57 2.04 -0.36 -1.04 117.51 123.42 1p6r h ILE 18 Ca 0.06 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1p6r h ILE 18 Cb 0.29 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1p6r h ILE 18 CO -0.17 0.11 -0.56 -0.50 0.00 0.00 0.00 178.15 177.03 1p6r h TRP 19 N 0.60 0.00 -0.22 1.37 6.55 -0.31 -3.15 115.95 120.79 1p6r h TRP 19 Ca 0.31 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.10 1p6r h TRP 19 Cb 0.27 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 1p6r h TRP 19 CO -0.10 0.56 -0.06 -0.22 -1.05 0.00 0.00 178.44 177.57 1p6r h LYS 20 N 0.00 0.43 -7.63 0.49 1.63 0.56 -3.44 116.57 108.61 1p6r h LYS 20 Ca -0.01 -0.17 -0.45 0.00 -0.85 0.00 0.00 60.65 59.18 1p6r h LYS 20 Cb 0.99 -0.02 0.14 0.00 -0.60 0.00 0.00 32.23 32.74 1p6r h LYS 20 CO 0.07 0.67 0.34 -1.01 -3.45 0.00 0.00 179.45 176.08 1p6r s HIS 21 N -4.73 1.98 -0.03 1.91 3.76 -0.48 -5.02 115.29 112.68 1p6r s HIS 21 Ca -0.14 0.59 -0.17 0.00 -0.15 0.00 0.00 55.06 55.19 1p6r s HIS 21 Cb 0.07 -3.69 -0.09 0.00 1.11 0.00 0.00 32.58 29.98 1p6r s HIS 21 CO 0.75 -2.56 0.69 0.66 -0.85 0.00 0.00 174.74 173.43 1p6r h SER 22 N -1.61 -0.48 -0.33 1.40 4.64 -1.85 -3.47 113.55 111.85 1p6r h SER 22 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1p6r h SER 22 Cb 1.29 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1p6r h SER 22 CO 0.50 -0.05 0.00 -1.20 -0.87 0.00 0.00 176.83 175.22 1p6r n SER 23 N -5.15 0.66 -3.69 4.97 7.64 -1.26 -4.90 113.62 111.88 1p6r n SER 23 Ca -0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.66 1p6r n SER 23 Cb 0.23 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1p6r n SER 23 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1p6r s ILE 24 N 0.10 0.03 0.32 0.44 2.07 -1.16 -4.96 121.20 118.04 1p6r s ILE 24 Ca 0.00 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1p6r s ILE 24 Cb 0.00 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1p6r s ILE 24 CO 0.00 -0.12 0.52 0.54 -1.91 0.00 0.00 174.94 173.97 1p6r s ASN 25 N -0.82 6.31 0.32 4.50 2.20 -1.26 -0.70 114.94 125.49 1p6r s ASN 25 Ca -0.09 0.42 0.06 0.00 -0.94 0.00 0.00 52.86 52.31 1p6r s ASN 25 Cb -0.03 -2.02 0.72 0.00 -2.00 0.00 0.00 41.25 37.92 1p6r s ASN 25 CO 0.04 -0.25 1.82 0.74 -2.94 0.00 0.00 177.10 176.52 1p6r h THR 26 N 0.88 0.80 0.25 0.54 2.02 -1.62 0.19 112.91 115.97 1p6r h THR 26 Ca -0.50 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1p6r h THR 26 Cb 1.22 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1p6r h THR 26 CO 0.62 0.15 -0.12 -1.13 0.37 0.00 0.00 175.52 175.40 1p6r h ASN 27 N 0.80 -0.29 -0.40 4.18 -1.24 -1.95 0.04 115.58 116.71 1p6r h ASN 27 Ca 0.52 -0.14 0.07 0.00 0.71 0.00 0.00 56.30 57.45 1p6r h ASN 27 Cb 0.75 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.81 1p6r h ASN 27 CO -0.29 -0.02 0.04 -0.33 -1.29 0.00 0.00 177.43 175.54 1p6r h GLU 28 N -0.56 0.15 0.53 6.67 5.08 -1.80 -0.29 114.58 124.36 1p6r h GLU 28 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1p6r h GLU 28 Cb 0.41 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p6r h GLU 28 CO 0.06 0.10 -0.26 -0.24 -1.00 0.00 0.00 179.01 177.67 1p6r h VAL 29 N 0.16 0.47 -0.34 3.13 3.04 -0.57 0.76 116.25 122.90 1p6r h VAL 29 Ca 0.20 -0.04 0.03 0.00 -1.01 0.00 0.00 66.70 65.88 1p6r h VAL 29 Cb 0.26 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.00 1p6r h VAL 29 CO -0.29 0.01 0.16 0.40 -1.01 0.00 0.00 177.57 176.83 1p6r h ILE 30 N -0.74 0.97 0.53 3.17 2.04 -0.73 0.94 117.51 123.69 1p6r h ILE 30 Ca -0.07 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1p6r h ILE 30 Cb 0.56 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1p6r h ILE 30 CO 0.12 0.06 -0.33 0.11 0.00 0.00 0.00 178.15 178.12 1p6r h LYS 31 N 0.33 -0.78 -0.18 2.37 1.79 -0.95 0.49 116.57 119.64 1p6r h LYS 31 Ca 0.15 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1p6r h LYS 31 Cb 0.07 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1p6r h LYS 31 CO -0.11 -0.52 -0.00 1.49 -1.08 0.00 0.00 179.45 179.23 1p6r h GLU 32 N -0.81 0.06 0.14 3.15 4.57 -0.56 0.23 114.58 121.35 1p6r h GLU 32 Ca -0.06 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1p6r h GLU 32 Cb 0.66 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1p6r h GLU 32 CO 0.06 0.04 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.77 1p6r h LEU 33 N 0.06 -0.23 -0.76 1.64 4.07 -0.78 -0.05 115.31 119.26 1p6r h LEU 33 Ca 0.09 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.16 1p6r h LEU 33 Cb 0.11 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 1p6r h LEU 33 CO -0.15 -0.15 0.40 0.28 -1.08 0.00 0.00 178.44 177.75 1p6r h SER 34 N -0.23 0.54 -0.07 -0.43 0.02 -0.51 0.22 113.55 113.09 1p6r h SER 34 Ca -0.01 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1p6r h SER 34 Cb 0.19 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1p6r h SER 34 CO 0.01 0.30 0.02 0.11 -1.14 0.00 0.00 176.83 176.13 1p6r h LYS 35 N 0.67 0.10 -0.14 3.45 1.57 -0.62 -3.25 116.57 118.35 1p6r h LYS 35 Ca 0.38 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1p6r h LYS 35 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1p6r h LYS 35 CO -0.27 0.27 -0.57 1.79 -0.57 0.00 0.00 179.45 180.10 1p6r h THR 36 N -0.08 1.34 -2.98 -0.16 1.35 -0.42 -3.44 112.91 108.52 1p6r h THR 36 Ca 0.02 -1.85 -0.19 0.00 -0.55 0.00 0.00 66.41 63.85 1p6r h THR 36 Cb 0.21 1.85 -0.29 0.00 -1.73 0.00 0.00 68.15 68.18 1p6r h THR 36 CO -0.00 0.56 -0.46 -0.44 -0.25 0.00 0.00 175.52 174.93 1p6r s SER 37 N -6.91 -0.29 -0.97 5.36 0.01 0.70 -5.08 113.70 106.52 1p6r s SER 37 Ca -0.06 0.57 -0.22 0.00 1.31 0.00 0.00 55.95 57.54 1p6r s SER 37 Cb 0.12 0.45 -0.12 0.00 0.21 0.00 0.00 66.02 66.68 1p6r s SER 37 CO 0.82 -0.17 1.93 0.35 0.41 0.00 0.00 173.24 176.58 1p6r n THR 38 N 4.19 1.98 -4.70 1.44 -2.24 -1.24 -3.82 114.28 109.89 1p6r n THR 38 Ca -0.25 -1.88 -0.34 0.00 -2.27 0.00 0.00 64.05 59.32 1p6r n THR 38 Cb 0.53 -2.27 -0.12 0.00 -2.10 0.00 0.00 70.33 66.38 1p6r n THR 38 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1p6r s TRP 39 N 7.34 2.87 0.79 4.78 0.51 -1.26 -5.10 118.94 128.86 1p6r s TRP 39 Ca 0.61 -0.07 -0.11 0.00 -2.12 0.00 0.00 56.10 54.42 1p6r s TRP 39 Cb 0.08 -1.70 0.07 0.00 -0.81 0.00 0.00 33.47 31.10 1p6r s TRP 39 CO 0.12 0.25 1.09 -1.54 -0.51 0.00 0.00 176.95 176.36 1p6r s SER 40 N -0.69 4.41 0.28 2.95 1.04 -1.26 -4.60 113.70 115.83 1p6r s SER 40 Ca 0.10 1.71 0.02 0.00 0.48 0.00 0.00 55.95 58.26 1p6r s SER 40 Cb -0.11 -2.43 0.62 0.00 0.10 0.00 0.00 66.02 64.21 1p6r s SER 40 CO 0.01 -2.08 1.77 -0.65 0.98 0.00 0.00 173.24 173.27 1p6r h PRO 41 N -1.16 0.65 0.20 4.02 0.11 -1.99 0.80 132.00 134.64 1p6r h PRO 41 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1p6r h PRO 41 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p6r h PRO 41 CO 0.53 0.43 -0.10 -0.22 -0.21 0.00 0.00 178.00 178.44 1p6r h LYS 42 N 0.67 -0.26 -0.34 1.05 3.11 -1.98 0.12 116.57 118.94 1p6r h LYS 42 Ca 0.52 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.44 1p6r h LYS 42 Cb 0.77 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.99 1p6r h LYS 42 CO -0.38 -0.17 -0.12 1.15 -2.81 0.00 0.00 179.45 177.12 1p6r h THR 43 N -0.27 0.60 -0.07 1.00 2.02 -1.61 0.11 112.91 114.67 1p6r h THR 43 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1p6r h THR 43 Cb 0.21 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1p6r h THR 43 CO 0.05 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.29 1p6r h ILE 44 N -0.04 0.87 -0.95 3.11 2.04 -0.60 0.38 117.51 122.31 1p6r h ILE 44 Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 1p6r h ILE 44 Cb 0.30 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1p6r h ILE 44 CO -0.37 0.00 0.61 1.56 0.00 0.00 0.00 178.15 179.95 1p6r h GLN 45 N -0.04 1.10 0.06 2.37 4.20 -0.29 0.50 115.11 123.01 1p6r h GLN 45 Ca 0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1p6r h GLN 45 Cb 0.11 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1p6r h GLN 45 CO -0.10 0.73 -0.03 1.15 -0.67 0.00 0.00 178.83 179.91 1p6r h THR 46 N 1.14 0.99 -0.08 -0.54 2.02 -0.08 0.53 112.91 116.89 1p6r h THR 46 Ca 0.40 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.46 1p6r h THR 46 Cb 0.10 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1p6r h THR 46 CO -0.15 0.04 -0.16 0.24 0.37 0.00 0.00 175.52 175.86 1p6r h MET 47 N -0.14 -0.22 0.04 6.66 2.86 -0.26 0.62 114.93 124.49 1p6r h MET 47 Ca -0.01 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1p6r h MET 47 Cb 0.12 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1p6r h MET 47 CO 0.01 -0.15 -0.34 -0.07 1.06 0.00 0.00 176.91 177.43 1p6r h LEU 48 N -0.23 -1.02 -0.26 1.22 3.38 -0.80 -0.28 115.31 117.33 1p6r h LEU 48 Ca 0.08 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1p6r h LEU 48 Cb 0.34 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1p6r h LEU 48 CO -0.21 -0.41 -0.22 0.25 0.09 0.00 0.00 178.44 177.94 1p6r h LEU 49 N -0.52 -0.71 -0.02 1.67 7.12 -0.55 0.83 115.31 123.13 1p6r h LEU 49 Ca 0.05 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1p6r h LEU 49 Cb 0.59 0.35 -0.03 0.00 -0.53 0.00 0.00 40.66 41.03 1p6r h LEU 49 CO -0.25 -0.26 -0.15 0.03 -0.13 0.00 0.00 178.44 177.68 1p6r h ARG 50 N -0.21 -0.23 -0.41 1.25 2.47 -0.52 0.89 114.38 117.63 1p6r h ARG 50 Ca 0.14 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1p6r h ARG 50 Cb 0.43 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1p6r h ARG 50 CO -0.39 -0.15 0.27 -0.07 0.56 0.00 0.00 179.97 180.18 1p6r h LEU 51 N -0.24 0.46 0.05 3.04 3.38 -0.61 0.77 115.31 122.16 1p6r h LEU 51 Ca 0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1p6r h LEU 51 Cb 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1p6r h LEU 51 CO -0.16 0.33 -0.16 0.40 0.09 0.00 0.00 178.44 178.95 1p6r h ILE 52 N 0.54 0.63 -0.86 1.22 2.04 -0.54 0.14 117.51 120.68 1p6r h ILE 52 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1p6r h ILE 52 Cb -0.05 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1p6r h ILE 52 CO -0.04 0.00 0.49 0.50 0.00 0.00 0.00 178.15 179.10 1p6r h LYS 53 N -0.29 0.76 -0.45 2.37 3.64 -0.43 0.71 116.57 122.87 1p6r h LYS 53 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1p6r h LYS 53 Cb 0.32 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1p6r h LYS 53 CO -0.11 0.50 0.00 1.63 -2.27 0.00 0.00 179.45 179.20 1p6r n LYS 54 N -4.75 1.14 -2.25 1.90 4.76 0.23 -4.88 118.16 114.31 1p6r n LYS 54 Ca 0.15 -0.16 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1p6r n LYS 54 Cb 0.33 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p6r n GLY 55 N 0.33 -0.16 0.15 0.72 0.00 0.24 -2.55 105.19 103.91 1p6r n GLY 55 Ca 0.01 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1p6r n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6r h ALA 56 N 0.72 -0.13 -2.58 4.61 0.00 -0.91 0.39 119.26 121.37 1p6r h ALA 56 Ca -0.38 -0.85 -0.27 0.00 0.00 0.00 0.00 54.91 53.40 1p6r h ALA 56 Cb 1.27 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 19.05 1p6r h ALA 56 CO 0.46 0.71 -0.72 -0.51 0.00 0.00 0.00 179.25 179.19 1p6r s LEU 57 N -7.59 2.43 0.08 0.00 1.43 -1.25 -0.63 118.68 113.15 1p6r s LEU 57 Ca -0.09 -0.86 0.10 0.00 -1.03 0.00 0.00 54.13 52.25 1p6r s LEU 57 Cb 0.04 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 1p6r s LEU 57 CO 0.94 -0.34 -0.26 0.21 0.23 0.00 0.00 176.35 177.13 1p6r s ASN 58 N -2.58 3.14 0.09 2.29 2.47 0.32 -4.53 114.94 116.14 1p6r s ASN 58 Ca 0.06 -0.65 0.02 0.00 0.42 0.00 0.00 52.86 52.71 1p6r s ASN 58 Cb -0.00 -0.25 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 1p6r s ASN 58 CO -0.02 0.21 -0.07 -1.38 -3.72 0.00 0.00 177.10 172.13 1p6r s HIS 59 N -0.91 0.88 0.04 0.43 -3.43 -1.26 -0.09 115.29 110.94 1p6r s HIS 59 Ca 0.12 -0.86 0.06 0.00 -0.80 0.00 0.00 55.06 53.58 1p6r s HIS 59 Cb -0.10 -0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 30.52 1p6r s HIS 59 CO 0.04 -0.13 -0.16 -1.58 -2.00 0.00 0.00 174.74 170.90 1p6r s HIS 60 N -3.33 1.43 -0.27 0.38 2.46 -0.31 -4.98 115.29 110.67 1p6r s HIS 60 Ca 0.09 -0.35 -0.12 0.00 0.47 0.00 0.00 55.06 55.15 1p6r s HIS 60 Cb 0.03 -0.86 -0.05 0.00 -0.13 0.00 0.00 32.58 31.58 1p6r s HIS 60 CO -0.04 0.05 0.25 0.15 -2.47 0.00 0.00 174.74 172.68 1p6r s LYS 61 N -1.07 4.00 -0.90 2.88 1.02 -1.26 -0.10 119.74 124.31 1p6r s LYS 61 Ca 0.04 -0.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 1p6r s LYS 61 Cb -0.08 -3.64 0.24 0.00 -0.52 0.00 0.00 37.83 33.83 1p6r s LYS 61 CO 0.01 -0.17 0.87 0.39 -0.92 0.00 0.00 175.35 175.54 1p6r n GLU 62 N 5.00 2.86 0.00 1.68 -0.58 0.10 -4.97 120.64 124.74 1p6r n GLU 62 Ca -0.12 -4.51 0.00 0.00 -0.42 0.00 0.00 57.16 52.11 1p6r n GLU 62 Cb 0.52 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6r n GLY 63 N 2.02 0.20 0.10 0.62 0.00 -1.26 -1.62 105.19 105.25 1p6r n GLY 63 Ca 0.23 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 1p6r n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p6r h ARG 64 N 0.00 0.00 -4.94 1.61 3.08 -2.03 -3.47 114.38 108.62 1p6r h ARG 64 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1p6r h ARG 64 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1p6r h ARG 64 CO 0.00 0.50 -0.64 0.14 -1.07 0.00 0.00 179.97 178.89 1p6r s VAL 65 N -2.84 0.79 -0.03 2.04 -7.23 -0.64 -5.01 120.40 107.48 1p6r s VAL 65 Ca -0.01 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1p6r s VAL 65 Cb 0.08 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1p6r s VAL 65 CO 0.80 -0.27 -0.21 0.72 -0.31 0.00 0.00 175.10 175.83 1p6r s PHE 66 N -3.58 1.95 -0.17 2.82 -0.71 -1.26 0.01 117.98 117.03 1p6r s PHE 66 Ca 0.30 -0.46 -0.17 0.00 -1.04 0.00 0.00 56.93 55.57 1p6r s PHE 66 Cb 0.07 -1.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.56 1p6r s PHE 66 CO 0.09 -0.10 0.44 0.08 -1.34 0.00 0.00 175.22 174.39 1p6r s VAL 67 N -0.31 5.18 -0.27 -2.49 1.01 0.86 -1.53 120.40 122.86 1p6r s VAL 67 Ca 0.03 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 1p6r s VAL 67 Cb -0.10 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1p6r s VAL 67 CO 0.01 0.27 0.26 -0.31 0.00 0.00 0.00 175.10 175.32 1p6r s TYR 68 N 1.12 3.24 -0.22 5.22 2.02 0.12 -1.16 117.35 127.69 1p6r s TYR 68 Ca 0.22 0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 57.08 1p6r s TYR 68 Cb -0.15 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 1p6r s TYR 68 CO 0.09 -0.17 0.09 0.95 -1.57 0.00 0.00 175.55 174.94 1p6r s THR 69 N 1.83 4.76 0.21 -0.71 -4.23 0.86 -2.98 115.64 115.39 1p6r s THR 69 Ca 0.10 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1p6r s THR 69 Cb -0.16 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 1p6r s THR 69 CO 0.10 0.38 1.08 -2.16 -0.54 0.00 0.00 174.62 173.48 1p6r s PRO 70 N 1.02 4.64 0.06 3.99 0.04 -1.26 -0.52 135.00 142.97 1p6r s PRO 70 Ca 0.05 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1p6r s PRO 70 Cb -0.14 -3.25 -0.26 0.00 0.04 0.00 0.00 34.50 30.89 1p6r s PRO 70 CO 0.03 0.17 1.07 -0.97 0.04 0.00 0.00 177.00 177.34 1p6r h ASN 71 N 4.61 0.30 -2.12 6.66 -0.00 -1.16 -3.45 115.58 120.41 1p6r h ASN 71 Ca -0.45 -0.35 -0.55 0.00 -0.00 0.00 0.00 56.30 54.95 1p6r h ASN 71 Cb 1.21 -0.10 -0.08 0.00 -0.00 0.00 0.00 38.32 39.35 1p6r h ASN 71 CO 0.70 1.28 -0.60 0.27 -0.00 0.00 0.00 177.43 179.08 1p6r s ILE 72 N -2.65 3.49 0.33 2.57 -4.36 -1.18 -4.92 121.20 114.48 1p6r s ILE 72 Ca -0.04 -1.79 0.08 0.00 -0.26 0.00 0.00 60.65 58.64 1p6r s ILE 72 Cb 0.08 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 1p6r s ILE 72 CO 0.86 -0.33 0.19 -0.62 0.24 0.00 0.00 174.94 175.29 1p6r s ASP 73 N -3.74 4.92 0.29 4.36 2.15 -1.26 -4.98 116.67 118.41 1p6r s ASP 73 Ca 0.33 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.66 1p6r s ASP 73 Cb -0.06 -0.84 0.70 0.00 -0.30 0.00 0.00 42.92 42.43 1p6r s ASP 73 CO 0.21 -0.30 1.60 -0.33 -0.17 0.00 0.00 175.17 176.17 1p6r h GLU 74 N 1.45 0.06 0.00 4.34 5.08 -1.99 -2.32 114.58 121.20 1p6r h GLU 74 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1p6r h GLU 74 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1p6r h GLU 74 CO 0.61 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 177.53 1p6r n SER 75 N -5.41 0.00 -1.70 1.42 3.41 -1.26 -3.91 113.62 106.16 1p6r n SER 75 Ca 0.21 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.36 1p6r n SER 75 Cb 0.71 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1p6r n SER 75 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1p6r n ASP 76 N -1.02 3.63 -0.33 4.04 5.75 -1.14 -4.33 116.55 123.14 1p6r n ASP 76 Ca 0.00 -1.97 -0.03 0.00 -0.01 0.00 0.00 54.79 52.77 1p6r n ASP 76 Cb 0.00 -0.78 0.09 0.00 -1.03 0.00 0.00 41.12 39.39 1p6r n ASP 76 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1p6r h TYR 77 N 2.11 1.11 -1.78 2.11 -0.00 -1.54 -3.06 116.97 115.92 1p6r h TYR 77 Ca 0.01 0.02 -0.60 0.00 0.00 0.00 0.00 58.73 58.16 1p6r h TYR 77 Cb 0.71 -0.38 -0.11 0.00 0.00 0.00 0.00 36.73 36.95 1p6r h TYR 77 CO 0.41 0.70 1.19 0.42 -0.00 0.00 0.00 178.16 180.88 1p6r s ILE 78 N -6.12 4.04 -0.08 -0.90 1.01 -1.26 -4.68 121.20 113.22 1p6r s ILE 78 Ca -0.13 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1p6r s ILE 78 Cb 0.16 -4.94 -0.05 0.00 0.01 0.00 0.00 42.46 37.64 1p6r s ILE 78 CO 0.80 -1.80 0.41 -0.70 0.00 0.00 0.00 174.94 173.65 1p6r s GLU 79 N 4.70 4.14 0.47 2.79 2.12 -1.16 -5.08 118.70 126.69 1p6r s GLU 79 Ca 0.39 0.36 -0.21 0.00 0.36 0.00 0.00 54.97 55.86 1p6r s GLU 79 Cb -0.04 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.92 1p6r s GLU 79 CO -0.02 0.41 1.06 0.14 -0.54 0.00 0.00 175.26 176.31 1p6r s VAL 80 N -0.15 3.66 0.80 3.70 -7.23 -1.26 -4.74 120.40 115.17 1p6r s VAL 80 Ca 0.23 1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 61.38 1p6r s VAL 80 Cb -0.15 -3.48 0.08 0.00 0.56 0.00 0.00 36.38 33.38 1p6r s VAL 80 CO 0.10 -0.16 1.13 -0.75 -0.31 0.00 0.00 175.10 175.12 1p6r s LYS 81 N -3.03 1.88 0.00 4.82 2.20 -1.26 -4.96 119.74 119.39 1p6r s LYS 81 Ca 0.65 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 1p6r s LYS 81 Cb -0.19 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1p6r s LYS 81 CO 0.23 -1.97 0.00 0.43 -0.36 0.00 0.00 175.35 173.69