#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 0.29 -6.10 0.03 3.64 -1.95 -2.99 116.57 109.49 1p6r h LYS 2 Ca 0.00 -0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.83 1p6r h LYS 2 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1p6r h LYS 2 CO 0.00 0.19 1.33 0.15 -2.27 0.00 0.00 179.45 178.85 1p6r s LYS 3 N -6.15 2.94 0.04 1.90 1.02 -1.26 -4.90 119.74 113.33 1p6r s LYS 3 Ca -0.13 1.05 -0.08 0.00 0.02 0.00 0.00 55.97 56.83 1p6r s LYS 3 Cb 0.13 -4.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.12 1p6r s LYS 3 CO 0.72 -2.34 0.59 -0.89 -0.92 0.00 0.00 175.35 172.51 1p6r n ILE 4 N 7.36 -0.18 -1.04 2.17 2.08 0.28 -4.59 119.36 125.44 1p6r n ILE 4 Ca 0.23 0.92 -0.32 0.00 0.56 0.00 0.00 62.75 64.14 1p6r n ILE 4 Cb 0.50 -1.16 0.13 0.00 -0.75 0.00 0.00 39.64 38.35 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1p6r s PRO 5 N -4.32 1.61 -1.41 0.38 0.04 -1.26 0.41 135.00 130.45 1p6r s PRO 5 Ca -0.03 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1p6r s PRO 5 Cb 0.03 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1p6r s PRO 5 CO 0.17 -2.19 2.41 1.04 0.04 0.00 0.00 177.00 178.46 1p6r n GLN 6 N -3.62 3.96 -1.96 4.56 1.13 0.12 -0.26 117.38 121.30 1p6r n GLN 6 Ca 0.12 -3.05 -0.31 0.00 -1.94 0.00 0.00 57.00 51.82 1p6r n GLN 6 Cb 0.52 -2.81 0.00 0.00 0.11 0.00 0.00 30.24 28.06 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1p6r s ILE 7 N 0.53 4.68 0.05 5.09 -1.09 -1.26 -4.80 121.20 124.40 1p6r s ILE 7 Ca 0.54 0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 59.83 1p6r s ILE 7 Cb 0.16 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1p6r s ILE 7 CO -0.06 -1.07 0.12 -0.44 -1.23 0.00 0.00 174.94 172.25 1p6r s SER 8 N -4.00 0.17 0.08 3.58 0.01 -1.26 -5.04 113.70 107.24 1p6r s SER 8 Ca 0.56 -0.57 -0.20 0.00 1.31 0.00 0.00 55.95 57.05 1p6r s SER 8 Cb -0.11 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 1p6r s SER 8 CO 0.50 -0.57 1.33 -0.78 0.41 0.00 0.00 173.24 174.13 1p6r h ASP 9 N 3.40 -1.11 -0.92 2.44 3.58 -1.99 0.56 116.42 122.38 1p6r h ASP 9 Ca -0.33 0.14 0.16 0.00 0.42 0.00 0.00 57.03 57.42 1p6r h ASP 9 Cb 1.18 0.45 -0.10 0.00 1.72 0.00 0.00 39.33 42.59 1p6r h ASP 9 CO 0.53 -0.25 0.52 0.00 -2.88 0.00 0.00 179.24 177.16 1p6r h ALA 10 N -0.59 1.44 -0.25 -0.78 0.00 -2.00 0.39 119.26 117.48 1p6r h ALA 10 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1p6r h ALA 10 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1p6r h ALA 10 CO -0.34 -0.03 0.03 0.93 0.00 0.00 0.00 179.25 179.84 1p6r h GLU 11 N 0.72 0.43 -0.90 0.00 5.08 -1.79 -2.92 114.58 115.20 1p6r h GLU 11 Ca 0.51 -0.12 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1p6r h GLU 11 Cb 0.71 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1p6r h GLU 11 CO -0.36 0.57 0.53 1.25 -1.00 0.00 0.00 179.01 180.00 1p6r h LEU 12 N 0.22 0.77 -0.27 1.33 7.12 0.11 0.35 115.31 124.95 1p6r h LEU 12 Ca 0.07 0.05 0.06 0.00 0.13 0.00 0.00 57.88 58.19 1p6r h LEU 12 Cb 0.36 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.33 1p6r h LEU 12 CO 0.01 0.42 -0.13 -0.33 -0.13 0.00 0.00 178.44 178.28 1p6r h GLU 13 N 0.87 -0.09 -0.50 1.25 4.39 -0.95 0.88 114.58 120.42 1p6r h GLU 13 Ca 0.44 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.19 1p6r h GLU 13 Cb 0.42 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1p6r h GLU 13 CO -0.26 -0.06 0.25 0.28 -1.16 0.00 0.00 179.01 178.06 1p6r h VAL 14 N -0.10 0.96 -0.31 3.13 2.07 -1.00 -1.57 116.25 119.44 1p6r h VAL 14 Ca 0.14 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1p6r h VAL 14 Cb 0.31 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1p6r h VAL 14 CO -0.33 0.09 0.06 0.24 0.02 0.00 0.00 177.57 177.66 1p6r h MET 15 N 0.50 0.17 -0.93 1.57 2.86 0.16 0.13 114.93 119.39 1p6r h MET 15 Ca 0.22 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.97 1p6r h MET 15 Cb 0.12 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.66 1p6r h MET 15 CO -0.15 0.11 0.56 -0.22 1.06 0.00 0.00 176.91 178.27 1p6r h LYS 16 N 0.18 0.83 0.15 1.72 3.64 -0.33 0.15 116.57 122.91 1p6r h LYS 16 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1p6r h LYS 16 Cb 0.15 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1p6r h LYS 16 CO -0.19 0.55 -0.07 0.28 -2.27 0.00 0.00 179.45 177.75 1p6r h VAL 17 N 0.85 0.98 -0.10 2.00 2.07 -0.53 -3.32 116.25 118.20 1p6r h VAL 17 Ca 0.48 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1p6r h VAL 17 Cb 0.54 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1p6r h VAL 17 CO -0.29 0.17 -0.03 0.40 0.02 0.00 0.00 177.57 177.83 1p6r h ILE 18 N -0.56 0.88 0.00 4.57 2.04 0.12 -2.57 117.51 121.99 1p6r h ILE 18 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1p6r h ILE 18 Cb 0.43 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1p6r h ILE 18 CO 0.03 0.00 0.18 -0.50 0.00 0.00 0.00 178.15 177.86 1p6r h TRP 19 N -0.01 0.00 0.00 1.37 6.55 -0.84 0.56 115.95 123.57 1p6r h TRP 19 Ca 0.05 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 1p6r h TRP 19 Cb 0.09 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 1p6r h TRP 19 CO -0.16 0.00 -0.32 0.87 -1.05 0.00 0.00 178.44 177.78 1p6r h LYS 20 N 0.00 0.00 -6.40 0.49 1.57 -1.55 -3.44 116.57 107.24 1p6r h LYS 20 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1p6r h LYS 20 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1p6r h LYS 20 CO 0.00 0.32 -0.28 -1.01 -0.57 0.00 0.00 179.45 177.91 1p6r s HIS 21 N -4.20 3.40 0.02 -1.35 3.76 0.19 -5.05 115.29 112.05 1p6r s HIS 21 Ca -0.03 0.13 -0.28 0.00 -0.15 0.00 0.00 55.06 54.73 1p6r s HIS 21 Cb 0.14 -1.84 -0.16 0.00 1.11 0.00 0.00 32.58 31.83 1p6r s HIS 21 CO 0.70 0.16 1.17 0.66 -0.85 0.00 0.00 174.74 176.59 1p6r h SER 22 N 0.88 -0.78 -0.43 1.40 4.64 -1.85 -3.46 113.55 113.95 1p6r h SER 22 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1p6r h SER 22 Cb 1.23 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1p6r h SER 22 CO 0.60 -0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.60 1p6r n SER 23 N -5.40 0.85 -3.71 4.97 3.41 -1.26 -4.82 113.62 107.66 1p6r n SER 23 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1p6r n SER 23 Cb 0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1p6r n SER 23 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1p6r s ILE 24 N 0.39 -0.00 0.55 -1.33 2.07 -1.12 -4.96 121.20 116.79 1p6r s ILE 24 Ca 0.00 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.17 1p6r s ILE 24 Cb 0.00 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1p6r s ILE 24 CO 0.00 0.01 0.91 0.54 -1.91 0.00 0.00 174.94 174.48 1p6r s ASN 25 N 0.47 6.24 0.23 4.50 2.20 -1.26 -0.69 114.94 126.63 1p6r s ASN 25 Ca -0.02 1.16 -0.06 0.00 -0.94 0.00 0.00 52.86 53.01 1p6r s ASN 25 Cb -0.04 -2.35 0.33 0.00 -2.00 0.00 0.00 41.25 37.19 1p6r s ASN 25 CO -0.02 -0.73 1.82 0.74 -2.94 0.00 0.00 177.10 175.98 1p6r h THR 26 N -0.04 0.97 -0.22 0.54 2.02 -1.66 0.15 112.91 114.67 1p6r h THR 26 Ca -0.45 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1p6r h THR 26 Cb 1.20 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1p6r h THR 26 CO 0.62 0.15 0.14 -1.13 0.37 0.00 0.00 175.52 175.67 1p6r h ASN 27 N 0.83 0.26 -0.46 4.18 -1.24 -1.94 -0.32 115.58 116.89 1p6r h ASN 27 Ca 0.36 -0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.38 1p6r h ASN 27 Cb 0.24 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.19 1p6r h ASN 27 CO -0.20 0.22 0.23 -0.33 -1.29 0.00 0.00 177.43 176.05 1p6r h GLU 28 N 0.28 0.43 0.41 6.67 5.08 -1.75 -0.77 114.58 124.93 1p6r h GLU 28 Ca 0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1p6r h GLU 28 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1p6r h GLU 28 CO -0.02 0.29 -0.20 -0.24 -1.00 0.00 0.00 179.01 177.85 1p6r h VAL 29 N 0.45 0.60 -0.05 3.13 3.04 -0.33 0.12 116.25 123.22 1p6r h VAL 29 Ca 0.20 -0.13 0.03 0.00 -1.01 0.00 0.00 66.70 65.79 1p6r h VAL 29 Cb 0.12 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.04 1p6r h VAL 29 CO -0.15 0.03 -0.15 0.40 -1.01 0.00 0.00 177.57 176.68 1p6r h ILE 30 N -0.62 0.61 0.37 3.17 2.04 -0.88 -0.00 117.51 122.19 1p6r h ILE 30 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1p6r h ILE 30 Cb 0.46 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1p6r h ILE 30 CO 0.09 0.00 -0.37 0.11 0.00 0.00 0.00 178.15 177.98 1p6r h LYS 31 N -0.23 -0.73 0.03 2.37 1.79 -1.05 0.04 116.57 118.80 1p6r h LYS 31 Ca 0.07 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1p6r h LYS 31 Cb 0.32 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 1p6r h LYS 31 CO -0.18 -0.49 -0.24 1.49 -1.08 0.00 0.00 179.45 178.95 1p6r h GLU 32 N -0.76 -0.38 -0.26 3.15 4.57 -0.53 0.91 114.58 121.27 1p6r h GLU 32 Ca -0.03 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p6r h GLU 32 Cb 0.68 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1p6r h GLU 32 CO -0.07 -0.25 0.17 -0.07 -1.18 0.00 0.00 179.01 177.61 1p6r h LEU 33 N -0.39 0.29 -0.86 1.64 4.07 -0.96 0.24 115.31 119.34 1p6r h LEU 33 Ca 0.05 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1p6r h LEU 33 Cb 0.46 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.07 1p6r h LEU 33 CO -0.19 0.21 0.55 0.28 -1.08 0.00 0.00 178.44 178.21 1p6r h SER 34 N 0.35 0.91 -0.05 -0.43 0.02 -0.58 0.17 113.55 113.94 1p6r h SER 34 Ca 0.10 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1p6r h SER 34 Cb -0.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1p6r h SER 34 CO -0.03 0.62 0.01 0.11 -1.14 0.00 0.00 176.83 176.41 1p6r h LYS 35 N 1.06 0.08 -0.02 3.45 1.57 -0.43 -3.27 116.57 119.02 1p6r h LYS 35 Ca 0.34 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1p6r h LYS 35 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1p6r h LYS 35 CO -0.12 0.29 -0.59 1.79 -0.57 0.00 0.00 179.45 180.25 1p6r h THR 36 N -0.15 1.41 -3.13 -0.16 1.35 -0.58 -3.45 112.91 108.20 1p6r h THR 36 Ca 0.01 -1.99 -0.17 0.00 -0.55 0.00 0.00 66.41 63.72 1p6r h THR 36 Cb 0.25 2.05 -0.26 0.00 -1.73 0.00 0.00 68.15 68.46 1p6r h THR 36 CO 0.00 0.57 -0.43 -0.44 -0.25 0.00 0.00 175.52 174.97 1p6r s SER 37 N -6.87 -0.26 -1.06 5.36 0.01 0.56 -5.08 113.70 106.37 1p6r s SER 37 Ca -0.02 0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 1p6r s SER 37 Cb 0.13 0.49 -0.11 0.00 0.21 0.00 0.00 66.02 66.74 1p6r s SER 37 CO 0.77 -0.09 1.92 0.35 0.41 0.00 0.00 173.24 176.60 1p6r n THR 38 N 3.03 1.91 -4.93 1.44 -2.24 -1.26 -3.99 114.28 108.24 1p6r n THR 38 Ca -0.14 -1.90 -0.26 0.00 -2.27 0.00 0.00 64.05 59.48 1p6r n THR 38 Cb 0.58 -2.22 -0.16 0.00 -2.10 0.00 0.00 70.33 66.44 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 9.11 1.76 0.75 4.78 0.51 -1.26 -5.12 118.94 129.47 1p6r s TRP 39 Ca 0.65 -0.38 -0.12 0.00 -2.12 0.00 0.00 56.10 54.13 1p6r s TRP 39 Cb 0.04 -1.15 0.04 0.00 -0.81 0.00 0.00 33.47 31.60 1p6r s TRP 39 CO 0.13 -0.07 1.11 -1.54 -0.51 0.00 0.00 176.95 176.07 1p6r s SER 40 N -0.33 5.01 0.23 2.95 1.04 -1.26 -4.55 113.70 116.80 1p6r s SER 40 Ca 0.04 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.53 1p6r s SER 40 Cb -0.09 -1.86 0.39 0.00 0.10 0.00 0.00 66.02 64.56 1p6r s SER 40 CO 0.00 -1.62 1.71 -0.65 0.98 0.00 0.00 173.24 173.66 1p6r h PRO 41 N -0.85 0.32 -0.61 4.02 0.11 -1.99 0.17 132.00 133.18 1p6r h PRO 41 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1p6r h PRO 41 Cb 1.27 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1p6r h PRO 41 CO 0.63 0.21 0.39 0.87 -0.21 0.00 0.00 178.00 179.89 1p6r h LYS 42 N 0.33 0.75 -0.25 1.05 1.79 -1.99 0.71 116.57 118.96 1p6r h LYS 42 Ca 0.37 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.84 1p6r h LYS 42 Cb 0.58 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1p6r h LYS 42 CO -0.42 0.50 -0.01 1.15 -1.08 0.00 0.00 179.45 179.58 1p6r h THR 43 N 0.77 0.81 -0.11 -0.16 2.02 -1.40 -0.36 112.91 114.48 1p6r h THR 43 Ca 0.24 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.43 1p6r h THR 43 Cb -0.03 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1p6r h THR 43 CO -0.08 0.01 -0.12 0.40 0.37 0.00 0.00 175.52 176.10 1p6r h ILE 44 N 0.06 0.67 -0.73 3.11 1.08 0.22 0.12 117.51 122.04 1p6r h ILE 44 Ca 0.12 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.69 1p6r h ILE 44 Cb 0.16 0.67 -0.08 0.00 -3.07 0.00 0.00 36.82 34.51 1p6r h ILE 44 CO -0.21 0.00 0.36 1.56 -0.69 0.00 0.00 178.15 179.17 1p6r h GLN 45 N -0.15 0.58 -0.13 2.37 4.20 -0.56 0.18 115.11 121.60 1p6r h GLN 45 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1p6r h GLN 45 Cb 0.26 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1p6r h GLN 45 CO -0.20 0.38 0.09 1.15 -0.67 0.00 0.00 178.83 179.58 1p6r h THR 46 N 0.59 1.03 -0.82 -0.54 2.02 -0.09 -0.59 112.91 114.52 1p6r h THR 46 Ca 0.37 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 1p6r h THR 46 Cb 0.41 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1p6r h THR 46 CO -0.29 0.03 0.48 0.24 0.37 0.00 0.00 175.52 176.36 1p6r h MET 47 N 0.18 1.12 0.50 6.66 2.86 0.45 0.14 114.93 126.84 1p6r h MET 47 Ca 0.05 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1p6r h MET 47 Cb -0.02 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1p6r h MET 47 CO -0.01 0.80 -0.24 -0.07 1.06 0.00 0.00 176.91 178.45 1p6r h LEU 48 N 1.13 -0.57 -0.55 1.22 3.38 -0.48 0.61 115.31 120.05 1p6r h LEU 48 Ca 0.29 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.38 1p6r h LEU 48 Cb -0.02 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1p6r h LEU 48 CO -0.05 -0.39 0.04 0.25 0.09 0.00 0.00 178.44 178.37 1p6r h LEU 49 N -0.69 -0.16 0.44 1.67 7.12 -0.85 -0.20 115.31 122.65 1p6r h LEU 49 Ca -0.07 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1p6r h LEU 49 Cb 0.53 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 1p6r h LEU 49 CO 0.11 -0.06 -0.42 0.03 -0.13 0.00 0.00 178.44 177.98 1p6r h ARG 50 N 0.16 -0.82 -0.96 1.25 2.47 -0.48 -0.64 114.38 115.36 1p6r h ARG 50 Ca 0.28 0.06 0.21 0.00 -1.26 0.00 0.00 59.98 59.27 1p6r h ARG 50 Cb 0.43 0.19 -0.08 0.00 -1.65 0.00 0.00 29.97 28.86 1p6r h ARG 50 CO -0.43 -0.55 0.62 -0.07 0.56 0.00 0.00 179.97 180.10 1p6r h LEU 51 N -0.85 0.51 0.36 3.04 3.38 -0.30 0.37 115.31 121.83 1p6r h LEU 51 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1p6r h LEU 51 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1p6r h LEU 51 CO -0.04 0.18 -0.17 0.40 0.09 0.00 0.00 178.44 178.90 1p6r h ILE 52 N 0.50 0.64 -0.85 1.22 2.04 -0.63 -1.52 117.51 118.90 1p6r h ILE 52 Ca 0.53 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1p6r h ILE 52 Cb 1.18 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1p6r h ILE 52 CO -0.25 0.08 0.46 0.50 0.00 0.00 0.00 178.15 178.94 1p6r h LYS 53 N -0.74 1.19 -1.11 2.37 3.64 0.13 -3.17 116.57 118.87 1p6r h LYS 53 Ca -0.05 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1p6r h LYS 53 Cb 0.50 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1p6r h LYS 53 CO 0.08 0.88 0.00 1.63 -2.27 0.00 0.00 179.45 179.77 1p6r n LYS 54 N -4.37 0.61 -1.01 1.90 4.76 0.12 -4.77 118.16 115.40 1p6r n LYS 54 Ca 0.08 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1p6r n LYS 54 Cb 0.10 -1.23 -0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.52 0.46 0.89 0.72 0.00 -1.20 0.13 105.19 106.71 1p6r n GLY 55 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1p6r n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6r n ALA 56 N 1.00 2.67 -2.75 4.61 0.00 -0.66 -4.10 120.51 121.29 1p6r n ALA 56 Ca -0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1p6r n ALA 56 Cb 0.05 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 1p6r n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p6r s LEU 57 N -6.96 3.61 0.04 0.00 1.02 -0.71 -0.88 118.68 114.81 1p6r s LEU 57 Ca -0.05 -0.28 -0.02 0.00 0.02 0.00 0.00 54.13 53.80 1p6r s LEU 57 Cb 0.01 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 1p6r s LEU 57 CO 0.07 0.05 -0.00 0.21 0.02 0.00 0.00 176.35 176.69 1p6r s ASN 58 N -3.27 0.36 0.10 2.29 3.84 -0.89 -4.30 114.94 113.07 1p6r s ASN 58 Ca 0.30 -0.78 0.02 0.00 0.21 0.00 0.00 52.86 52.62 1p6r s ASN 58 Cb -0.09 0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.75 1p6r s ASN 58 CO 0.22 -0.51 -0.07 -1.38 -2.79 0.00 0.00 177.10 172.56 1p6r s HIS 59 N -3.06 0.93 0.03 0.43 -3.43 -1.26 -0.09 115.29 108.83 1p6r s HIS 59 Ca -0.01 -0.83 0.05 0.00 -0.80 0.00 0.00 55.06 53.47 1p6r s HIS 59 Cb 0.02 -0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 30.62 1p6r s HIS 59 CO -0.07 -0.10 -0.15 -1.58 -2.00 0.00 0.00 174.74 170.84 1p6r s HIS 60 N -3.26 1.32 -0.93 0.38 2.46 -0.06 -4.93 115.29 110.28 1p6r s HIS 60 Ca 0.10 -0.34 -0.22 0.00 0.47 0.00 0.00 55.06 55.07 1p6r s HIS 60 Cb 0.03 -0.79 0.08 0.00 -0.13 0.00 0.00 32.58 31.76 1p6r s HIS 60 CO -0.03 0.04 1.27 0.15 -2.47 0.00 0.00 174.74 173.69 1p6r s LYS 61 N -1.03 3.51 -1.27 2.88 1.02 -1.26 -0.33 119.74 123.25 1p6r s LYS 61 Ca 0.03 -1.25 -0.13 0.00 0.02 0.00 0.00 55.97 54.64 1p6r s LYS 61 Cb -0.08 -4.98 0.14 0.00 -0.52 0.00 0.00 37.83 32.39 1p6r s LYS 61 CO 0.01 -2.00 1.69 -1.91 -0.92 0.00 0.00 175.35 172.22 1p6r n GLU 62 N 7.95 3.36 0.00 1.68 2.13 -0.95 -4.88 120.64 129.94 1p6r n GLU 62 Ca 0.23 -3.53 0.00 0.00 0.66 0.00 0.00 57.16 54.52 1p6r n GLU 62 Cb 0.50 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 29.09 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6r n GLY 63 N 3.95 -0.01 0.28 8.31 0.00 -1.26 -3.49 105.19 112.96 1p6r n GLY 63 Ca 0.41 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.49 -3.88 1.61 3.08 -2.01 -3.47 114.38 109.22 1p6r h ARG 64 Ca 0.00 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1p6r h ARG 64 Cb 0.00 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 1p6r h ARG 64 CO 0.00 -0.33 -0.22 0.14 -1.07 0.00 0.00 179.97 178.49 1p6r s VAL 65 N -4.57 0.00 0.40 2.04 -7.23 -1.23 -5.16 120.40 104.65 1p6r s VAL 65 Ca -0.10 -1.54 -0.17 0.00 -1.81 0.00 0.00 61.98 58.36 1p6r s VAL 65 Cb 0.03 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 1p6r s VAL 65 CO 0.34 0.00 0.86 0.72 -0.31 0.00 0.00 175.10 176.71 1p6r s PHE 66 N -3.92 3.36 -0.02 2.82 -0.71 -1.26 -2.24 117.98 116.01 1p6r s PHE 66 Ca 0.27 1.41 0.07 0.00 -1.04 0.00 0.00 56.93 57.64 1p6r s PHE 66 Cb 0.01 -2.70 -0.02 0.00 -1.21 0.00 0.00 43.02 39.10 1p6r s PHE 66 CO 0.11 -0.07 -0.23 0.14 -1.34 0.00 0.00 175.22 173.83 1p6r s VAL 67 N -2.18 2.33 -0.25 -2.49 -7.23 0.55 -1.71 120.40 109.41 1p6r s VAL 67 Ca 0.58 -1.05 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 1p6r s VAL 67 Cb -0.10 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1p6r s VAL 67 CO 0.18 0.55 0.35 -0.31 -0.31 0.00 0.00 175.10 175.56 1p6r s TYR 68 N -0.67 3.28 -0.35 2.82 1.51 0.14 -0.88 117.35 123.19 1p6r s TYR 68 Ca 0.11 0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 56.48 1p6r s TYR 68 Cb -0.10 -2.53 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 1p6r s TYR 68 CO -0.00 -0.16 0.21 0.95 -1.11 0.00 0.00 175.55 175.44 1p6r s THR 69 N 1.82 4.81 -0.05 -0.71 -4.23 0.86 -2.79 115.64 115.36 1p6r s THR 69 Ca 0.15 -0.57 -0.34 0.00 -1.18 0.00 0.00 61.69 59.75 1p6r s THR 69 Cb -0.15 -3.57 -0.12 0.00 1.34 0.00 0.00 72.50 70.00 1p6r s THR 69 CO 0.09 -0.11 1.85 -2.65 -0.54 0.00 0.00 174.62 173.26 1p6r n PRO 70 N 5.04 2.21 -0.08 3.99 -0.02 -1.26 -2.09 135.00 142.79 1p6r n PRO 70 Ca -0.12 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1p6r n PRO 70 Cb 0.48 -2.65 0.37 0.00 -0.02 0.00 0.00 33.50 31.67 1p6r n PRO 70 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1p6r n ASN 71 N 6.26 1.78 -4.59 2.55 5.15 -0.05 -4.87 115.26 121.49 1p6r n ASN 71 Ca 0.22 -1.72 -0.31 0.00 -0.60 0.00 0.00 54.58 52.17 1p6r n ASN 71 Cb 0.30 -0.11 -0.10 0.00 -0.53 0.00 0.00 39.78 39.34 1p6r n ASN 71 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1p6r s ILE 72 N -1.78 3.50 0.16 -1.44 -0.00 -1.24 -5.02 121.20 115.37 1p6r s ILE 72 Ca 0.33 -1.08 -0.16 0.00 -0.00 0.00 0.00 60.65 59.74 1p6r s ILE 72 Cb 0.18 -2.60 0.03 0.00 -0.00 0.00 0.00 42.46 40.07 1p6r s ILE 72 CO 0.27 0.21 0.44 -0.62 -0.00 0.00 0.00 174.94 175.25 1p6r s ASP 73 N -1.93 -0.23 0.00 4.36 2.15 -1.26 -4.96 116.67 114.80 1p6r s ASP 73 Ca 0.20 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1p6r s ASP 73 Cb -0.11 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 1p6r s ASP 73 CO 0.12 -0.94 0.00 -0.62 -0.17 0.00 0.00 175.17 173.56 1p6r n GLU 74 N -0.27 0.00 -1.34 4.34 1.02 -1.26 -3.74 120.64 119.38 1p6r n GLU 74 Ca -0.13 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 1p6r n GLU 74 Cb 0.63 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.96 1p6r n GLU 74 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1p6r n SER 75 N 1.17 6.11 -2.31 1.62 7.64 -0.94 -1.27 113.62 125.63 1p6r n SER 75 Ca 0.00 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1p6r n SER 75 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1p6r n SER 75 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1p6r n ASP 76 N 1.35 0.00 -0.34 6.43 5.68 -1.25 -0.55 116.55 127.87 1p6r n ASP 76 Ca 0.47 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.73 1p6r n ASP 76 Cb 0.66 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.75 1p6r n ASP 76 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1p6r h TYR 77 N 0.00 1.22 -1.69 2.11 3.20 -1.89 -3.01 116.97 116.91 1p6r h TYR 77 Ca 0.00 -0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.26 1p6r h TYR 77 Cb 0.00 -0.40 -0.11 0.00 1.54 0.00 0.00 36.73 37.76 1p6r h TYR 77 CO 0.00 0.81 1.23 0.42 -1.64 0.00 0.00 178.16 178.99 1p6r s ILE 78 N -5.93 4.02 -0.75 1.81 1.01 -1.26 -4.94 121.20 115.15 1p6r s ILE 78 Ca -0.13 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 1p6r s ILE 78 Cb 0.17 -4.96 0.03 0.00 0.01 0.00 0.00 42.46 37.71 1p6r s ILE 78 CO 0.82 -1.82 1.36 -0.70 0.00 0.00 0.00 174.94 174.59 1p6r s GLU 79 N 4.75 3.16 0.09 2.79 2.12 -1.14 -4.58 118.70 125.90 1p6r s GLU 79 Ca 0.40 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.57 1p6r s GLU 79 Cb -0.04 -4.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.01 1p6r s GLU 79 CO -0.03 -2.22 -0.14 0.14 -0.54 0.00 0.00 175.26 172.47 1p6r s VAL 80 N 6.04 3.09 0.21 3.70 -7.23 -0.40 -4.95 120.40 120.87 1p6r s VAL 80 Ca 0.39 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 1p6r s VAL 80 Cb -0.08 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1p6r s VAL 80 CO 0.13 0.15 0.85 -0.75 -0.31 0.00 0.00 175.10 175.17 1p6r s LYS 81 N -2.03 1.47 0.00 4.82 2.20 -1.26 -2.22 119.74 122.72 1p6r s LYS 81 Ca 0.19 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1p6r s LYS 81 Cb -0.11 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1p6r s LYS 81 CO 0.11 -0.67 0.00 0.43 -0.36 0.00 0.00 175.35 174.85