#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r n LYS 2 N 0.00 -2.36 0.00 0.03 4.81 0.28 -4.11 118.16 116.80 1p6r n LYS 2 Ca 0.00 2.04 0.00 0.00 -0.87 0.00 0.00 58.31 59.48 1p6r n LYS 2 Cb 0.00 -3.82 0.00 0.00 0.02 0.00 0.00 35.03 31.23 1p6r n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1p6r n LYS 3 N 0.54 0.00 -0.99 1.64 5.02 0.28 -4.86 118.16 119.79 1p6r n LYS 3 Ca -0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1p6r n LYS 3 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.96 1p6r n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1p6r n ILE 4 N 0.00 0.00 -3.83 -0.18 5.41 -1.26 -4.48 119.36 115.02 1p6r n ILE 4 Ca 0.00 -0.01 -0.28 0.00 1.00 0.00 0.00 62.75 63.45 1p6r n ILE 4 Cb 0.00 -0.32 -0.03 0.00 -0.71 0.00 0.00 39.64 38.58 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1p6r s PRO 5 N 5.87 3.49 -0.28 0.38 0.04 -1.26 0.23 135.00 143.46 1p6r s PRO 5 Ca 0.89 -0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.52 1p6r s PRO 5 Cb -0.82 -2.93 0.08 0.00 0.04 0.00 0.00 34.50 30.87 1p6r s PRO 5 CO 0.32 0.50 0.03 -0.65 0.04 0.00 0.00 177.00 177.25 1p6r s GLN 6 N -3.01 1.16 0.19 4.56 -0.21 -1.26 -0.75 119.66 120.34 1p6r s GLN 6 Ca 0.37 -1.17 0.07 0.00 0.02 0.00 0.00 55.36 54.65 1p6r s GLN 6 Cb -0.12 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1p6r s GLN 6 CO 0.28 -0.83 0.07 0.42 -2.12 0.00 0.00 175.29 173.11 1p6r s ILE 7 N 1.41 4.01 0.12 1.08 -1.09 -1.26 -5.03 121.20 120.44 1p6r s ILE 7 Ca 0.04 -1.39 0.05 0.00 -2.23 0.00 0.00 60.65 57.12 1p6r s ILE 7 Cb -0.18 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1p6r s ILE 7 CO -0.14 -0.18 -0.12 -0.94 -1.23 0.00 0.00 174.94 172.33 1p6r s SER 8 N -3.21 1.77 0.23 3.58 1.04 -1.26 -4.99 113.70 110.86 1p6r s SER 8 Ca 0.30 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 1p6r s SER 8 Cb -0.09 -0.03 0.34 0.00 0.10 0.00 0.00 66.02 66.34 1p6r s SER 8 CO 0.21 -0.22 1.63 -0.78 0.98 0.00 0.00 173.24 175.06 1p6r h ASP 9 N 3.37 -0.46 -0.92 7.02 3.58 -2.01 0.15 116.42 127.15 1p6r h ASP 9 Ca -0.38 0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.29 1p6r h ASP 9 Cb 1.19 0.36 -0.05 0.00 1.72 0.00 0.00 39.33 42.56 1p6r h ASP 9 CO 0.54 -0.19 0.61 0.00 -2.88 0.00 0.00 179.24 177.32 1p6r h ALA 10 N 1.67 1.41 -0.18 -0.78 0.00 -2.01 -1.00 119.26 118.37 1p6r h ALA 10 Ca 0.36 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1p6r h ALA 10 Cb 0.59 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1p6r h ALA 10 CO -0.65 0.50 -0.17 0.93 0.00 0.00 0.00 179.25 179.85 1p6r h GLU 11 N 1.16 0.44 -0.63 0.00 5.08 -1.37 -3.23 114.58 116.03 1p6r h GLU 11 Ca 0.37 -0.23 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1p6r h GLU 11 Cb 0.01 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 1p6r h GLU 11 CO -0.11 0.79 0.11 1.25 -1.00 0.00 0.00 179.01 180.05 1p6r h LEU 12 N 0.10 -0.06 -0.60 1.33 7.12 0.17 0.83 115.31 124.20 1p6r h LEU 12 Ca 0.03 0.13 0.12 0.00 0.13 0.00 0.00 57.88 58.29 1p6r h LEU 12 Cb 0.71 0.19 -0.11 0.00 -0.53 0.00 0.00 40.66 40.92 1p6r h LEU 12 CO 0.04 -0.03 -0.05 -0.33 -0.13 0.00 0.00 178.44 177.95 1p6r h GLU 13 N 0.23 0.07 -0.17 1.25 4.39 -1.24 1.00 114.58 120.10 1p6r h GLU 13 Ca 0.33 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 1p6r h GLU 13 Cb 0.52 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1p6r h GLU 13 CO -0.45 0.05 0.10 0.28 -1.16 0.00 0.00 179.01 177.83 1p6r h VAL 14 N 0.07 1.07 -0.16 3.13 2.07 -0.94 -1.14 116.25 120.35 1p6r h VAL 14 Ca 0.31 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1p6r h VAL 14 Cb 0.49 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1p6r h VAL 14 CO -0.55 0.07 -0.13 0.24 0.02 0.00 0.00 177.57 177.21 1p6r h MET 15 N 0.20 -0.14 -0.13 1.57 2.86 0.13 -0.84 114.93 118.57 1p6r h MET 15 Ca 0.06 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1p6r h MET 15 Cb 0.03 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1p6r h MET 15 CO -0.01 -0.09 -0.32 -0.22 1.06 0.00 0.00 176.91 177.32 1p6r h LYS 16 N -0.15 -0.38 -0.40 1.72 3.64 -0.64 0.17 116.57 120.52 1p6r h LYS 16 Ca 0.10 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1p6r h LYS 16 Cb 0.30 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1p6r h LYS 16 CO -0.25 -0.26 0.04 0.28 -2.27 0.00 0.00 179.45 177.00 1p6r h VAL 17 N -0.40 0.75 0.55 2.00 2.07 -0.85 -0.12 116.25 120.25 1p6r h VAL 17 Ca 0.09 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1p6r h VAL 17 Cb 0.55 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1p6r h VAL 17 CO -0.35 0.03 -0.26 0.40 0.02 0.00 0.00 177.57 177.40 1p6r h ILE 18 N 0.16 0.42 -0.68 4.57 2.04 -0.42 -2.98 117.51 120.62 1p6r h ILE 18 Ca 0.20 -0.19 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1p6r h ILE 18 Cb 0.26 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1p6r h ILE 18 CO -0.29 0.03 0.47 -0.50 0.00 0.00 0.00 178.15 177.86 1p6r h TRP 19 N -0.86 0.31 0.00 1.37 6.55 -0.51 0.32 115.95 123.13 1p6r h TRP 19 Ca -0.08 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.76 1p6r h TRP 19 Cb 0.61 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1p6r h TRP 19 CO -0.01 0.12 -0.06 -0.22 -1.05 0.00 0.00 178.44 177.22 1p6r h LYS 20 N 0.27 0.00 -6.31 0.49 1.63 -0.85 -3.43 116.57 108.36 1p6r h LYS 20 Ca 0.33 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.62 1p6r h LYS 20 Cb 0.93 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1p6r h LYS 20 CO -0.08 0.06 -0.23 -1.58 -3.45 0.00 0.00 179.45 174.17 1p6r s HIS 21 N -4.69 1.88 -0.01 1.91 2.46 0.10 -5.07 115.29 111.88 1p6r s HIS 21 Ca -0.04 -0.68 -0.22 0.00 0.47 0.00 0.00 55.06 54.59 1p6r s HIS 21 Cb 0.15 -2.13 -0.12 0.00 -0.13 0.00 0.00 32.58 30.36 1p6r s HIS 21 CO 0.62 -0.66 0.90 0.66 -2.47 0.00 0.00 174.74 173.79 1p6r h SER 22 N 0.58 -0.65 -0.34 9.88 4.64 -1.85 -3.47 113.55 122.34 1p6r h SER 22 Ca -0.35 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1p6r h SER 22 Cb 1.29 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1p6r h SER 22 CO 0.50 -0.25 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 1p6r n SER 23 N -5.29 0.68 -3.70 4.97 7.64 -1.26 -4.90 113.62 111.76 1p6r n SER 23 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.64 1p6r n SER 23 Cb 0.31 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.14 0.03 0.47 0.44 2.07 -1.18 -4.98 121.20 118.18 1p6r s ILE 24 Ca 0.00 -0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1p6r s ILE 24 Cb 0.00 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 1p6r s ILE 24 CO 0.00 -0.12 0.74 0.54 -1.91 0.00 0.00 174.94 174.19 1p6r s ASN 25 N -0.78 6.08 0.39 4.50 2.20 -1.26 -1.25 114.94 124.82 1p6r s ASN 25 Ca -0.09 0.69 0.06 0.00 -0.94 0.00 0.00 52.86 52.59 1p6r s ASN 25 Cb -0.04 -2.00 0.78 0.00 -2.00 0.00 0.00 41.25 38.00 1p6r s ASN 25 CO 0.04 -0.63 2.02 0.74 -2.94 0.00 0.00 177.10 176.34 1p6r h THR 26 N 0.28 1.13 -0.17 0.54 2.02 -1.21 0.86 112.91 116.37 1p6r h THR 26 Ca -0.47 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1p6r h THR 26 Cb 1.22 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1p6r h THR 26 CO 0.61 0.14 0.05 -1.13 0.37 0.00 0.00 175.52 175.55 1p6r h ASN 27 N 0.60 0.25 -0.12 4.18 -0.73 -1.95 0.09 115.58 117.90 1p6r h ASN 27 Ca 0.16 -0.22 0.02 0.00 1.87 0.00 0.00 56.30 58.13 1p6r h ASN 27 Cb -0.01 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1p6r h ASN 27 CO -0.03 0.40 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.10 1p6r h GLU 28 N 0.08 0.03 0.44 6.67 5.08 -1.80 -0.10 114.58 124.98 1p6r h GLU 28 Ca 0.05 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1p6r h GLU 28 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p6r h GLU 28 CO -0.00 0.02 -0.21 -0.24 -1.00 0.00 0.00 179.01 177.58 1p6r h VAL 29 N 0.03 0.57 -0.59 3.13 3.04 -0.72 0.05 116.25 121.76 1p6r h VAL 29 Ca 0.06 -0.02 0.02 0.00 -1.01 0.00 0.00 66.70 65.75 1p6r h VAL 29 Cb 0.07 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 1p6r h VAL 29 CO -0.11 0.00 0.38 0.40 -1.01 0.00 0.00 177.57 177.24 1p6r h ILE 30 N -0.60 1.11 0.30 3.17 2.04 -0.88 0.08 117.51 122.73 1p6r h ILE 30 Ca -0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1p6r h ILE 30 Cb 0.46 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1p6r h ILE 30 CO 0.10 0.14 -0.37 0.50 0.00 0.00 0.00 178.15 178.51 1p6r h LYS 31 N 0.76 -0.70 -0.20 2.37 1.63 -0.81 0.12 116.57 119.74 1p6r h LYS 31 Ca 0.23 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1p6r h LYS 31 Cb -0.03 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1p6r h LYS 31 CO -0.08 -0.47 0.05 1.49 -3.45 0.00 0.00 179.45 177.00 1p6r h GLU 32 N -0.73 0.14 0.01 1.90 4.22 -0.58 -0.59 114.58 118.95 1p6r h GLU 32 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1p6r h GLU 32 Cb 0.68 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1p6r h GLU 32 CO -0.11 0.09 -0.01 -0.07 -2.18 0.00 0.00 179.01 176.73 1p6r h LEU 33 N 0.14 -0.03 -0.88 1.64 -0.00 -0.88 -0.59 115.31 114.72 1p6r h LEU 33 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.11 1p6r h LEU 33 Cb 0.07 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 40.65 1p6r h LEU 33 CO -0.11 -0.02 0.49 0.28 -0.00 0.00 0.00 178.44 179.08 1p6r h SER 34 N -0.03 0.64 -0.24 -0.43 0.02 -0.39 0.52 113.55 113.64 1p6r h SER 34 Ca 0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1p6r h SER 34 Cb 0.03 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1p6r h SER 34 CO -0.00 0.30 0.08 0.11 -1.14 0.00 0.00 176.83 176.17 1p6r h LYS 35 N 0.72 0.36 0.00 3.45 1.57 -0.60 -3.17 116.57 118.92 1p6r h LYS 35 Ca 0.46 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1p6r h LYS 35 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1p6r h LYS 35 CO -0.32 0.44 -0.00 1.79 -0.57 0.00 0.00 179.45 180.79 1p6r h THR 36 N 0.22 0.00 -3.48 -0.16 1.35 0.01 -3.43 112.91 107.41 1p6r h THR 36 Ca 0.08 -0.05 -0.71 0.00 -0.55 0.00 0.00 66.41 65.17 1p6r h THR 36 Cb 0.23 0.00 -0.29 0.00 -1.73 0.00 0.00 68.15 66.35 1p6r h THR 36 CO -0.00 0.00 -0.50 -0.44 -0.25 0.00 0.00 175.52 174.33 1p6r s SER 37 N -3.06 5.51 -1.34 5.36 0.01 0.17 -5.02 113.70 115.33 1p6r s SER 37 Ca -0.00 -1.58 -0.12 0.00 1.31 0.00 0.00 55.95 55.56 1p6r s SER 37 Cb 0.00 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 1p6r s SER 37 CO 0.00 -0.52 2.47 0.41 0.41 0.00 0.00 173.24 176.02 1p6r n THR 38 N 4.84 3.42 -1.92 1.44 -1.04 -1.20 -3.90 114.28 115.92 1p6r n THR 38 Ca -0.09 -2.36 -0.12 0.00 -2.04 0.00 0.00 64.05 59.44 1p6r n THR 38 Cb 0.43 -2.48 0.08 0.00 -1.82 0.00 0.00 70.33 66.53 1p6r n THR 38 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1p6r n TRP 39 N 4.85 -3.59 -2.77 -1.42 8.01 -1.26 -5.04 117.44 116.21 1p6r n TRP 39 Ca 0.61 -0.69 -0.33 0.00 -1.31 0.00 0.00 57.50 55.79 1p6r n TRP 39 Cb 0.27 -0.42 -0.06 0.00 -2.01 0.00 0.00 31.31 29.10 1p6r n TRP 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1p6r s SER 40 N -3.11 6.83 0.41 -0.99 0.15 -1.26 -4.84 113.70 110.88 1p6r s SER 40 Ca 0.33 1.58 0.19 0.00 0.70 0.00 0.00 55.95 58.75 1p6r s SER 40 Cb -0.01 -2.50 1.12 0.00 -1.71 0.00 0.00 66.02 62.91 1p6r s SER 40 CO 0.23 -0.39 1.79 -0.65 1.20 0.00 0.00 173.24 175.42 1p6r h PRO 41 N 1.71 0.37 -0.40 5.44 0.11 -1.98 0.16 132.00 137.42 1p6r h PRO 41 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1p6r h PRO 41 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1p6r h PRO 41 CO 0.62 0.25 0.19 -0.22 -0.21 0.00 0.00 178.00 178.62 1p6r h LYS 42 N 0.38 0.59 -0.22 1.05 3.64 -1.98 0.64 116.57 120.67 1p6r h LYS 42 Ca 0.57 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1p6r h LYS 42 Cb 1.47 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1p6r h LYS 42 CO -0.26 0.52 0.14 1.15 -2.27 0.00 0.00 179.45 178.72 1p6r h THR 43 N 0.51 1.04 -0.13 1.00 2.02 -1.11 0.18 112.91 116.42 1p6r h THR 43 Ca 0.14 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1p6r h THR 43 Cb 0.13 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1p6r h THR 43 CO -0.02 0.05 -0.01 0.40 0.37 0.00 0.00 175.52 176.31 1p6r h ILE 44 N 0.28 0.90 -0.99 3.11 2.04 -0.88 0.68 117.51 122.65 1p6r h ILE 44 Ca 0.08 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1p6r h ILE 44 Cb -0.02 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1p6r h ILE 44 CO -0.03 0.00 0.63 1.56 0.00 0.00 0.00 178.15 180.32 1p6r h GLN 45 N 0.03 1.05 0.03 2.37 1.08 -0.59 -0.61 115.11 118.46 1p6r h GLN 45 Ca 0.06 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1p6r h GLN 45 Cb 0.08 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1p6r h GLN 45 CO -0.11 0.70 -0.01 1.15 -0.95 0.00 0.00 178.83 179.60 1p6r h THR 46 N 1.09 1.02 -0.20 -0.54 2.02 0.67 0.14 112.91 117.11 1p6r h THR 46 Ca 0.45 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.52 1p6r h THR 46 Cb 0.28 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1p6r h THR 46 CO -0.20 0.04 -0.08 0.24 0.37 0.00 0.00 175.52 175.90 1p6r h MET 47 N -0.10 -0.04 -0.23 6.66 2.86 -0.22 0.12 114.93 123.98 1p6r h MET 47 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1p6r h MET 47 Cb 0.09 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1p6r h MET 47 CO 0.01 -0.03 -0.10 -0.07 1.06 0.00 0.00 176.91 177.78 1p6r h LEU 48 N -0.04 -0.34 -0.45 1.22 3.38 -1.00 -0.90 115.31 117.17 1p6r h LEU 48 Ca 0.10 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1p6r h LEU 48 Cb 0.20 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1p6r h LEU 48 CO -0.23 -0.13 0.10 0.25 0.09 0.00 0.00 178.44 178.52 1p6r h LEU 49 N -0.07 0.02 -0.12 1.67 7.12 -0.01 0.84 115.31 124.77 1p6r h LEU 49 Ca 0.12 0.08 0.03 0.00 0.13 0.00 0.00 57.88 58.24 1p6r h LEU 49 Cb 0.25 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.45 1p6r h LEU 49 CO -0.28 0.04 -0.05 0.03 -0.13 0.00 0.00 178.44 178.06 1p6r h ARG 50 N 0.23 -0.03 -0.93 1.25 3.08 -0.15 0.18 114.38 118.01 1p6r h ARG 50 Ca 0.22 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.35 1p6r h ARG 50 Cb 0.28 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1p6r h ARG 50 CO -0.28 -0.02 0.60 -0.07 -1.07 0.00 0.00 179.97 179.12 1p6r h LEU 51 N -0.04 0.91 -0.14 3.04 3.38 -0.51 0.69 115.31 122.64 1p6r h LEU 51 Ca 0.06 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1p6r h LEU 51 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1p6r h LEU 51 CO -0.14 0.56 -0.00 0.40 0.09 0.00 0.00 178.44 179.35 1p6r h ILE 52 N 1.02 1.26 -1.00 1.22 2.04 -0.11 0.68 117.51 122.62 1p6r h ILE 52 Ca 0.42 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1p6r h ILE 52 Cb 0.28 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1p6r h ILE 52 CO -0.17 0.25 0.65 0.50 0.00 0.00 0.00 178.15 179.37 1p6r h LYS 53 N -0.02 1.13 0.00 2.37 3.64 0.12 0.16 116.57 123.96 1p6r h LYS 53 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1p6r h LYS 53 Cb 0.38 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1p6r h LYS 53 CO 0.01 0.75 0.00 1.63 -2.27 0.00 0.00 179.45 179.57 1p6r n LYS 54 N -4.51 0.11 -2.02 1.90 5.02 0.16 -4.87 118.16 113.95 1p6r n LYS 54 Ca 0.15 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1p6r n LYS 54 Cb 0.19 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6r n GLY 55 N 0.32 0.19 0.14 0.72 0.00 0.55 -0.56 105.19 106.55 1p6r n GLY 55 Ca 0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 0.39 0.23 -3.85 4.61 0.00 -1.08 0.82 119.26 120.37 1p6r h ALA 56 Ca -0.24 -1.19 -0.69 0.00 0.00 0.00 0.00 54.91 52.80 1p6r h ALA 56 Cb 1.08 0.49 -0.30 0.00 0.00 0.00 0.00 17.79 19.05 1p6r h ALA 56 CO 0.29 1.10 -0.86 -0.51 0.00 0.00 0.00 179.25 179.27 1p6r s LEU 57 N -7.19 2.22 -0.00 0.00 1.02 -1.07 -0.15 118.68 113.51 1p6r s LEU 57 Ca -0.16 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.52 1p6r s LEU 57 Cb 0.06 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.80 1p6r s LEU 57 CO 0.84 0.24 0.11 0.21 0.02 0.00 0.00 176.35 177.76 1p6r s ASN 58 N -0.10 5.87 0.10 2.29 2.47 0.03 -4.16 114.94 121.45 1p6r s ASN 58 Ca -0.05 0.19 0.02 0.00 0.42 0.00 0.00 52.86 53.45 1p6r s ASN 58 Cb -0.14 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 37.89 1p6r s ASN 58 CO 0.04 0.26 -0.08 -1.38 -3.72 0.00 0.00 177.10 172.23 1p6r s HIS 59 N -1.24 0.96 -0.04 0.43 -3.43 -1.26 -0.02 115.29 110.69 1p6r s HIS 59 Ca 0.25 -0.84 -0.09 0.00 -0.80 0.00 0.00 55.06 53.58 1p6r s HIS 59 Cb -0.12 -0.54 0.01 0.00 -1.43 0.00 0.00 32.58 30.50 1p6r s HIS 59 CO 0.16 -0.09 0.20 -3.38 -2.00 0.00 0.00 174.74 169.63 1p6r s HIS 60 N -3.35 -0.12 -0.84 0.38 -3.43 -0.42 -4.98 115.29 102.52 1p6r s HIS 60 Ca 0.11 0.24 -0.23 0.00 -0.80 0.00 0.00 55.06 54.38 1p6r s HIS 60 Cb 0.03 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.28 1p6r s HIS 60 CO -0.03 -0.23 1.23 0.15 -2.00 0.00 0.00 174.74 173.85 1p6r s LYS 61 N -0.74 3.37 -1.28 -0.38 3.01 -1.26 -0.42 119.74 122.05 1p6r s LYS 61 Ca -0.08 -0.95 -0.14 0.00 -1.01 0.00 0.00 55.97 53.78 1p6r s LYS 61 Cb -0.05 -4.70 0.13 0.00 -1.01 0.00 0.00 37.83 32.21 1p6r s LYS 61 CO 0.01 -2.01 1.71 -1.91 0.51 0.00 0.00 175.35 173.66 1p6r n GLU 62 N 8.26 3.31 0.00 1.68 2.13 -0.57 -4.84 120.64 130.61 1p6r n GLU 62 Ca 0.15 -3.48 0.00 0.00 0.66 0.00 0.00 57.16 54.49 1p6r n GLU 62 Cb 0.49 -3.17 0.00 0.00 0.27 0.00 0.00 31.44 29.03 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 4.18 -0.02 0.18 8.31 0.00 -1.26 -3.20 105.19 113.37 1p6r n GLY 63 Ca 0.43 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 1p6r n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1p6r h ARG 64 N 0.00 -0.33 -4.52 1.61 1.12 -2.01 -3.48 114.38 106.77 1p6r h ARG 64 Ca 0.00 0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 58.69 1p6r h ARG 64 Cb 0.00 0.08 -0.15 0.00 -0.01 0.00 0.00 29.97 29.89 1p6r h ARG 64 CO 0.00 -0.09 -0.67 0.14 -3.11 0.00 0.00 179.97 176.25 1p6r s VAL 65 N -3.03 0.37 0.35 0.20 -7.23 -1.20 -5.15 120.40 104.71 1p6r s VAL 65 Ca -0.08 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1p6r s VAL 65 Cb 0.00 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.94 1p6r s VAL 65 CO 0.28 -0.64 0.86 0.72 -0.31 0.00 0.00 175.10 176.01 1p6r s PHE 66 N -3.85 3.45 -0.05 2.82 -0.71 -1.26 -1.52 117.98 116.86 1p6r s PHE 66 Ca 0.19 1.50 0.04 0.00 -1.04 0.00 0.00 56.93 57.62 1p6r s PHE 66 Cb 0.07 -2.74 -0.02 0.00 -1.21 0.00 0.00 43.02 39.11 1p6r s PHE 66 CO -0.01 0.07 -0.16 0.08 -1.34 0.00 0.00 175.22 173.86 1p6r s VAL 67 N -1.92 2.86 -0.25 -2.49 1.01 0.44 -0.66 120.40 119.39 1p6r s VAL 67 Ca 0.55 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1p6r s VAL 67 Cb -0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1p6r s VAL 67 CO 0.17 0.58 0.10 -0.31 0.00 0.00 0.00 175.10 175.64 1p6r s TYR 68 N -0.56 3.14 -0.27 5.22 2.02 -0.38 -1.31 117.35 125.20 1p6r s TYR 68 Ca 0.08 -0.23 -0.08 0.00 -0.37 0.00 0.00 57.07 56.47 1p6r s TYR 68 Cb -0.11 -2.26 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1p6r s TYR 68 CO 0.01 -0.25 0.10 0.95 -1.57 0.00 0.00 175.55 174.78 1p6r s THR 69 N 1.52 4.40 0.14 -0.71 -4.23 0.97 -3.11 115.64 114.62 1p6r s THR 69 Ca 0.06 -0.27 -0.31 0.00 -1.18 0.00 0.00 61.69 59.99 1p6r s THR 69 Cb -0.15 -3.13 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 1p6r s THR 69 CO 0.05 0.24 1.72 -2.84 -0.54 0.00 0.00 174.62 173.25 1p6r s PRO 70 N 1.61 4.16 0.21 3.99 0.02 -1.26 -0.79 135.00 142.94 1p6r s PRO 70 Ca 0.06 2.50 0.11 0.00 0.02 0.00 0.00 61.00 63.69 1p6r s PRO 70 Cb -0.16 -3.40 -0.06 0.00 0.02 0.00 0.00 34.50 30.90 1p6r s PRO 70 CO 0.05 -0.76 1.37 -0.97 -0.33 0.00 0.00 177.00 176.35 1p6r h ASN 71 N 7.83 0.00 -3.70 2.53 -1.24 -0.86 -3.45 115.58 116.69 1p6r h ASN 71 Ca -0.44 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 55.89 1p6r h ASN 71 Cb 1.21 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.07 1p6r h ASN 71 CO 0.94 0.73 -0.71 0.27 -1.29 0.00 0.00 177.43 177.38 1p6r s ILE 72 N -2.85 3.60 0.19 2.57 -5.25 -1.10 -4.87 121.20 113.50 1p6r s ILE 72 Ca 0.03 -0.60 0.00 0.00 -0.99 0.00 0.00 60.65 59.08 1p6r s ILE 72 Cb 0.09 -2.49 0.00 0.00 2.95 0.00 0.00 42.46 43.00 1p6r s ILE 72 CO 0.78 0.53 0.00 -0.67 -1.79 0.00 0.00 174.94 173.79 1p6r n ASP 73 N 2.02 -1.47 -0.01 4.36 2.03 -1.26 -4.94 116.55 117.29 1p6r n ASP 73 Ca -0.17 0.36 -0.09 0.00 0.52 0.00 0.00 54.79 55.41 1p6r n ASP 73 Cb 0.53 1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 42.50 1p6r n ASP 73 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1p6r h GLU 74 N 0.00 -0.27 -2.23 -0.67 5.08 -2.00 -2.47 114.58 112.02 1p6r h GLU 74 Ca 0.00 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1p6r h GLU 74 Cb 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1p6r h GLU 74 CO 0.00 -0.18 -0.11 0.43 -1.00 0.00 0.00 179.01 178.15 1p6r n SER 75 N -5.36 3.77 -4.52 1.42 7.64 -1.26 -4.90 113.62 110.40 1p6r n SER 75 Ca -0.02 -2.16 -0.28 0.00 1.01 0.00 0.00 58.87 57.41 1p6r n SER 75 Cb 0.28 -0.97 -0.14 0.00 -1.01 0.00 0.00 64.21 62.36 1p6r n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p6r n ASP 76 N 2.44 0.39 -2.53 6.43 2.03 -0.93 -1.16 116.55 123.21 1p6r n ASP 76 Ca 0.25 -0.53 -0.19 0.00 0.52 0.00 0.00 54.79 54.83 1p6r n ASP 76 Cb 0.60 -1.07 -0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1p6r n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p6r n TYR 77 N 11.57 -1.27 -2.90 -0.67 9.36 -1.26 -4.94 117.16 127.06 1p6r n TYR 77 Ca 0.58 0.09 -0.43 0.00 3.32 0.00 0.00 57.90 61.45 1p6r n TYR 77 Cb 0.24 -3.74 -0.04 0.00 -0.63 0.00 0.00 39.34 35.17 1p6r n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1p6r s ILE 78 N -2.96 4.42 -0.34 2.97 1.01 -0.31 -4.99 121.20 120.99 1p6r s ILE 78 Ca 0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1p6r s ILE 78 Cb -0.03 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.78 1p6r s ILE 78 CO 0.07 -1.42 1.43 -1.61 0.00 0.00 0.00 174.94 173.41 1p6r s GLU 79 N 3.79 3.71 -0.24 2.79 8.01 -1.26 -4.56 118.70 130.93 1p6r s GLU 79 Ca 0.21 1.17 -0.02 0.00 0.01 0.00 0.00 54.97 56.35 1p6r s GLU 79 Cb -0.17 -3.99 0.02 0.00 -4.31 0.00 0.00 34.13 25.68 1p6r s GLU 79 CO 0.08 -1.40 -0.06 0.14 0.01 0.00 0.00 175.26 174.04 1p6r s VAL 80 N 5.13 2.95 -1.07 2.63 -7.23 0.07 -4.98 120.40 117.90 1p6r s VAL 80 Ca 0.62 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 59.63 1p6r s VAL 80 Cb -0.17 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 1p6r s VAL 80 CO 0.29 0.23 1.93 1.17 -0.31 0.00 0.00 175.10 178.41 1p6r n LYS 81 N 4.69 1.86 0.00 4.82 0.00 -1.26 -4.36 118.16 123.92 1p6r n LYS 81 Ca -0.17 -2.34 0.00 0.00 0.00 0.00 0.00 58.31 55.80 1p6r n LYS 81 Cb 0.48 -3.36 0.00 0.00 0.00 0.00 0.00 35.03 32.15 1p6r n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85