#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r s LYS 2 N 0.00 0.94 -1.42 0.03 1.02 0.99 -4.92 119.74 116.38 1p6r s LYS 2 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1p6r s LYS 2 Cb 0.00 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.67 1p6r s LYS 2 CO 0.00 -0.33 2.57 0.36 -0.92 0.00 0.00 175.35 177.03 1p6r n LYS 3 N 0.39 3.08 -3.84 1.68 2.85 -1.26 -1.09 118.16 119.97 1p6r n LYS 3 Ca -0.18 -2.17 -0.12 0.00 -1.05 0.00 0.00 58.31 54.79 1p6r n LYS 3 Cb 0.60 -2.88 -0.13 0.00 -0.65 0.00 0.00 35.03 31.97 1p6r n LYS 3 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1p6r s ILE 4 N 2.83 0.00 0.31 0.58 1.01 -1.26 -4.69 121.20 119.97 1p6r s ILE 4 Ca 0.58 -0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.12 1p6r s ILE 4 Cb 0.16 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.43 1p6r s ILE 4 CO -0.05 -0.00 0.66 -2.16 0.00 0.00 0.00 174.94 173.39 1p6r s PRO 5 N 0.04 3.84 -0.40 2.79 0.05 -1.26 0.09 135.00 140.16 1p6r s PRO 5 Ca -0.00 0.42 -0.28 0.00 0.05 0.00 0.00 61.00 61.19 1p6r s PRO 5 Cb -0.01 -2.51 -0.02 0.00 0.05 0.00 0.00 34.50 32.01 1p6r s PRO 5 CO 0.00 0.17 1.83 1.14 0.05 0.00 0.00 177.00 180.19 1p6r s GLN 6 N -3.19 3.15 0.23 4.56 0.00 -1.23 -4.08 119.66 119.09 1p6r s GLN 6 Ca 0.50 1.25 0.10 0.00 -0.00 0.00 0.00 55.36 57.21 1p6r s GLN 6 Cb -0.11 -4.25 -0.05 0.00 0.00 0.00 0.00 33.01 28.61 1p6r s GLN 6 CO 0.23 -2.09 -0.19 0.42 0.00 0.00 0.00 175.29 173.67 1p6r s ILE 7 N 7.51 2.16 0.16 3.63 -1.09 0.10 -4.77 121.20 128.90 1p6r s ILE 7 Ca 0.77 -2.24 -0.19 0.00 -2.23 0.00 0.00 60.65 56.76 1p6r s ILE 7 Cb -0.20 -2.14 -0.08 0.00 -1.58 0.00 0.00 42.46 38.46 1p6r s ILE 7 CO 0.31 -0.41 0.66 -0.55 -1.23 0.00 0.00 174.94 173.72 1p6r s SER 8 N -3.24 7.06 0.26 3.58 0.15 -1.02 -0.40 113.70 120.09 1p6r s SER 8 Ca 0.25 1.35 -0.04 0.00 0.70 0.00 0.00 55.95 58.21 1p6r s SER 8 Cb -0.04 -2.39 0.52 0.00 -1.71 0.00 0.00 66.02 62.39 1p6r s SER 8 CO 0.11 0.13 1.65 -2.24 1.20 0.00 0.00 173.24 174.09 1p6r h ASP 9 N 3.84 -0.14 0.33 5.45 2.03 -1.96 -0.17 116.42 125.80 1p6r h ASP 9 Ca -0.48 0.18 -0.02 0.00 -0.73 0.00 0.00 57.03 55.98 1p6r h ASP 9 Cb 1.20 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 1p6r h ASP 9 CO 0.65 -0.13 -0.16 0.00 -1.03 0.00 0.00 179.24 178.57 1p6r h ALA 10 N 1.70 -0.45 -0.95 4.15 0.00 -1.98 -2.93 119.26 118.80 1p6r h ALA 10 Ca 0.45 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.38 1p6r h ALA 10 Cb 0.82 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 1p6r h ALA 10 CO -0.61 -0.67 0.55 0.93 0.00 0.00 0.00 179.25 179.45 1p6r h GLU 11 N -0.61 0.72 -1.00 0.00 5.08 -1.73 -1.18 114.58 115.86 1p6r h GLU 11 Ca -0.05 -0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.49 1p6r h GLU 11 Cb 0.44 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 1p6r h GLU 11 CO 0.08 0.47 0.62 1.25 -1.00 0.00 0.00 179.01 180.43 1p6r h LEU 12 N 0.74 0.63 -0.47 1.33 5.85 -0.87 0.52 115.31 123.04 1p6r h LEU 12 Ca 0.53 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.42 1p6r h LEU 12 Cb 0.77 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1p6r h LEU 12 CO -0.37 0.18 0.11 -0.33 -0.34 0.00 0.00 178.44 177.70 1p6r h GLU 13 N 0.59 0.25 -0.36 1.25 4.39 -1.25 0.11 114.58 119.56 1p6r h GLU 13 Ca 0.58 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.17 1p6r h GLU 13 Cb 1.15 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1p6r h GLU 13 CO -0.35 0.16 -0.14 -0.39 -1.16 0.00 0.00 179.01 177.13 1p6r h VAL 14 N 0.26 1.28 -0.25 3.13 -1.51 -1.06 -1.04 116.25 117.06 1p6r h VAL 14 Ca 0.23 -1.25 0.05 0.00 -1.23 0.00 0.00 66.70 64.50 1p6r h VAL 14 Cb 0.29 1.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.74 1p6r h VAL 14 CO -0.28 0.41 -0.02 0.24 -1.23 0.00 0.00 177.57 176.68 1p6r h MET 15 N 0.52 0.04 -0.54 5.19 2.86 -0.51 0.21 114.93 122.70 1p6r h MET 15 Ca 0.08 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1p6r h MET 15 Cb 0.68 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1p6r h MET 15 CO 0.05 0.03 0.25 0.87 1.06 0.00 0.00 176.91 179.17 1p6r h LYS 16 N 0.05 0.78 -0.61 1.72 1.79 -0.69 0.13 116.57 119.75 1p6r h LYS 16 Ca 0.12 -0.12 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1p6r h LYS 16 Cb 0.17 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 1p6r h LYS 16 CO -0.22 0.66 0.32 0.28 -1.08 0.00 0.00 179.45 179.40 1p6r h VAL 17 N 0.73 0.95 0.69 0.50 2.07 -0.67 0.16 116.25 120.68 1p6r h VAL 17 Ca 0.18 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1p6r h VAL 17 Cb 0.14 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1p6r h VAL 17 CO -0.02 0.11 -0.33 0.40 0.02 0.00 0.00 177.57 177.75 1p6r h ILE 18 N 0.60 0.32 -0.34 4.57 2.04 -0.40 -2.97 117.51 121.33 1p6r h ILE 18 Ca 0.27 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.23 1p6r h ILE 18 Cb 0.17 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1p6r h ILE 18 CO -0.18 0.00 0.25 -0.50 0.00 0.00 0.00 178.15 177.73 1p6r h TRP 19 N -0.93 0.00 0.00 1.37 6.55 -0.40 0.23 115.95 122.77 1p6r h TRP 19 Ca -0.09 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.73 1p6r h TRP 19 Cb 0.71 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.01 1p6r h TRP 19 CO -0.03 0.00 -0.08 -0.22 -1.05 0.00 0.00 178.44 177.06 1p6r h LYS 20 N 0.00 0.00 -6.13 0.49 1.63 -0.53 -3.43 116.57 108.59 1p6r h LYS 20 Ca 0.16 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.42 1p6r h LYS 20 Cb 0.67 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1p6r h LYS 20 CO -0.00 0.08 -0.27 -1.58 -3.45 0.00 0.00 179.45 174.23 1p6r s HIS 21 N -4.53 1.76 -0.02 1.91 2.46 0.07 -5.07 115.29 111.86 1p6r s HIS 21 Ca -0.04 -0.76 -0.17 0.00 0.47 0.00 0.00 55.06 54.56 1p6r s HIS 21 Cb 0.15 -2.02 -0.09 0.00 -0.13 0.00 0.00 32.58 30.48 1p6r s HIS 21 CO 0.61 -0.57 0.73 0.66 -2.47 0.00 0.00 174.74 173.70 1p6r h SER 22 N 0.67 -0.52 -0.32 9.88 4.64 -1.85 -3.47 113.55 122.58 1p6r h SER 22 Ca -0.36 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1p6r h SER 22 Cb 1.29 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1p6r h SER 22 CO 0.53 -0.13 0.00 -1.20 -0.87 0.00 0.00 176.83 175.17 1p6r n SER 23 N -5.03 0.64 -3.70 4.97 7.64 -1.26 -4.86 113.62 112.02 1p6r n SER 23 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.69 1p6r n SER 23 Cb 0.24 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.15 -0.01 0.52 0.44 2.07 -1.17 -4.96 121.20 118.24 1p6r s ILE 24 Ca 0.00 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 59.09 1p6r s ILE 24 Cb 0.00 -0.64 -0.07 0.00 0.13 0.00 0.00 42.46 41.88 1p6r s ILE 24 CO 0.00 0.02 1.07 0.54 -1.91 0.00 0.00 174.94 174.66 1p6r s ASN 25 N 0.86 6.04 0.25 4.50 2.20 -1.26 -1.18 114.94 126.35 1p6r s ASN 25 Ca -0.05 1.99 -0.02 0.00 -0.94 0.00 0.00 52.86 53.84 1p6r s ASN 25 Cb -0.06 -2.56 0.49 0.00 -2.00 0.00 0.00 41.25 37.12 1p6r s ASN 25 CO -0.07 -0.99 1.76 0.74 -2.94 0.00 0.00 177.10 175.60 1p6r h THR 26 N 1.25 0.75 0.23 0.54 2.02 -1.41 -0.38 112.91 115.91 1p6r h THR 26 Ca -0.49 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1p6r h THR 26 Cb 1.23 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1p6r h THR 26 CO 0.58 0.11 -0.30 -1.13 0.37 0.00 0.00 175.52 175.15 1p6r h ASN 27 N 0.61 -0.83 -0.93 4.18 -1.24 -1.93 0.12 115.58 115.56 1p6r h ASN 27 Ca 0.44 0.08 0.08 0.00 0.71 0.00 0.00 56.30 57.61 1p6r h ASN 27 Cb 0.60 0.30 -0.07 0.00 0.73 0.00 0.00 38.32 39.87 1p6r h ASN 27 CO -0.35 -0.41 0.58 -0.33 -1.29 0.00 0.00 177.43 175.63 1p6r h GLU 28 N -0.59 1.00 0.74 6.67 5.08 -1.80 -0.29 114.58 125.41 1p6r h GLU 28 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1p6r h GLU 28 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1p6r h GLU 28 CO -0.11 0.66 -0.40 -0.24 -1.00 0.00 0.00 179.01 177.93 1p6r h VAL 29 N 1.03 0.19 -0.21 3.13 3.04 -0.27 0.11 116.25 123.28 1p6r h VAL 29 Ca 0.42 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 66.15 1p6r h VAL 29 Cb 0.24 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 29.66 1p6r h VAL 29 CO -0.19 0.00 -0.06 0.40 -1.01 0.00 0.00 177.57 176.71 1p6r h ILE 30 N -1.06 0.78 0.65 3.17 2.04 -0.49 0.36 117.51 122.97 1p6r h ILE 30 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1p6r h ILE 30 Cb 0.83 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1p6r h ILE 30 CO 0.14 0.00 -0.47 0.11 0.00 0.00 0.00 178.15 177.92 1p6r h LYS 31 N -0.01 -1.04 -0.19 2.37 1.79 -0.98 0.04 116.57 118.54 1p6r h LYS 31 Ca 0.10 0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1p6r h LYS 31 Cb 0.16 0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1p6r h LYS 31 CO -0.22 -0.69 0.00 1.49 -1.08 0.00 0.00 179.45 178.95 1p6r h GLU 32 N -1.08 0.06 0.35 3.15 4.57 -0.63 0.01 114.58 121.01 1p6r h GLU 32 Ca -0.09 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1p6r h GLU 32 Cb 0.89 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1p6r h GLU 32 CO 0.04 0.04 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.63 1p6r h LEU 33 N 0.07 -0.53 -0.99 1.64 4.07 -0.90 0.21 115.31 118.88 1p6r h LEU 33 Ca 0.09 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.15 1p6r h LEU 33 Cb 0.11 0.16 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 1p6r h LEU 33 CO -0.15 -0.34 0.63 0.77 -1.08 0.00 0.00 178.44 178.27 1p6r h SER 34 N -0.54 1.00 -0.04 -0.43 4.64 -0.69 0.16 113.55 117.65 1p6r h SER 34 Ca -0.04 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1p6r h SER 34 Cb 0.44 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1p6r h SER 34 CO 0.04 0.62 0.01 0.11 -0.87 0.00 0.00 176.83 176.74 1p6r h LYS 35 N 1.13 0.06 -0.02 4.77 1.57 -0.74 -3.17 116.57 120.16 1p6r h LYS 35 Ca 0.43 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1p6r h LYS 35 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1p6r h LYS 35 CO -0.19 0.27 -0.53 1.79 -0.57 0.00 0.00 179.45 180.22 1p6r h THR 36 N -0.17 1.38 -2.92 -0.16 1.35 -0.43 -3.42 112.91 108.54 1p6r h THR 36 Ca 0.01 -1.83 -0.22 0.00 -0.55 0.00 0.00 66.41 63.83 1p6r h THR 36 Cb 0.24 1.96 -0.32 0.00 -1.73 0.00 0.00 68.15 68.30 1p6r h THR 36 CO 0.00 0.53 -0.53 -0.44 -0.25 0.00 0.00 175.52 174.83 1p6r s SER 37 N -6.88 0.23 -1.11 5.36 0.01 0.51 -5.08 113.70 106.75 1p6r s SER 37 Ca -0.02 0.56 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 1p6r s SER 37 Cb 0.13 0.60 -0.20 0.00 0.21 0.00 0.00 66.02 66.76 1p6r s SER 37 CO 0.76 -0.22 2.08 0.42 0.41 0.00 0.00 173.24 176.68 1p6r s THR 38 N 2.12 3.14 -0.03 1.44 -4.23 -1.20 -3.86 115.64 113.03 1p6r s THR 38 Ca -0.01 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.32 1p6r s THR 38 Cb -0.12 -4.13 -0.01 0.00 1.34 0.00 0.00 72.50 69.58 1p6r s THR 38 CO -0.08 -0.26 -0.22 0.26 -0.54 0.00 0.00 174.62 173.78 1p6r s TRP 39 N 15.82 2.02 0.69 3.99 0.51 -1.26 -5.09 118.94 135.62 1p6r s TRP 39 Ca 0.79 -0.44 -0.11 0.00 -2.12 0.00 0.00 56.10 54.22 1p6r s TRP 39 Cb -0.04 -1.31 0.01 0.00 -0.81 0.00 0.00 33.47 31.32 1p6r s TRP 39 CO 0.17 -0.08 1.07 -1.54 -0.51 0.00 0.00 176.95 176.07 1p6r s SER 40 N -0.40 5.51 0.41 2.95 1.04 -1.26 -4.47 113.70 117.48 1p6r s SER 40 Ca 0.05 1.30 0.17 0.00 0.48 0.00 0.00 55.95 57.95 1p6r s SER 40 Cb -0.10 -2.16 1.08 0.00 0.10 0.00 0.00 66.02 64.94 1p6r s SER 40 CO 0.00 -1.32 1.84 -0.65 0.98 0.00 0.00 173.24 174.09 1p6r h PRO 41 N -0.64 0.41 -0.00 4.02 0.11 -1.99 0.11 132.00 134.02 1p6r h PRO 41 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p6r h PRO 41 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p6r h PRO 41 CO 0.62 0.27 0.00 0.87 -0.21 0.00 0.00 178.00 179.55 1p6r h LYS 42 N 0.42 0.00 -0.30 1.05 1.57 -1.99 0.05 116.57 117.37 1p6r h LYS 42 Ca 0.49 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.32 1p6r h LYS 42 Cb 1.22 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1p6r h LYS 42 CO -0.20 0.13 0.02 1.15 -0.57 0.00 0.00 179.45 179.98 1p6r h THR 43 N -0.13 0.80 0.10 -0.16 2.02 -1.31 0.80 112.91 115.04 1p6r h THR 43 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1p6r h THR 43 Cb 0.13 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1p6r h THR 43 CO -0.00 0.02 -0.11 0.40 0.37 0.00 0.00 175.52 176.20 1p6r h ILE 44 N 0.11 0.75 -0.97 3.11 1.08 -0.73 0.25 117.51 121.11 1p6r h ILE 44 Ca 0.14 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.72 1p6r h ILE 44 Cb 0.18 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 1p6r h ILE 44 CO -0.23 0.00 0.60 1.56 -0.69 0.00 0.00 178.15 179.39 1p6r h GLN 45 N -0.24 0.95 -0.01 2.37 4.20 -0.62 0.87 115.11 122.63 1p6r h GLN 45 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1p6r h GLN 45 Cb 0.23 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1p6r h GLN 45 CO -0.04 0.63 0.01 1.15 -0.67 0.00 0.00 178.83 179.91 1p6r h THR 46 N 0.97 1.05 -0.30 -0.54 2.02 -0.14 0.84 112.91 116.82 1p6r h THR 46 Ca 0.47 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1p6r h THR 46 Cb 0.42 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1p6r h THR 46 CO -0.25 0.04 0.11 0.24 0.37 0.00 0.00 175.52 176.03 1p6r h MET 47 N -0.04 0.24 -0.06 6.66 2.86 0.04 0.63 114.93 125.26 1p6r h MET 47 Ca 0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1p6r h MET 47 Cb 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1p6r h MET 47 CO -0.00 0.16 -0.12 -0.07 1.06 0.00 0.00 176.91 177.94 1p6r h LEU 48 N 0.25 -0.36 -0.43 1.22 3.38 -0.72 -0.96 115.31 117.69 1p6r h LEU 48 Ca 0.13 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1p6r h LEU 48 Cb 0.09 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1p6r h LEU 48 CO -0.13 -0.16 0.00 0.25 0.09 0.00 0.00 178.44 178.49 1p6r h LEU 49 N -0.17 -0.18 0.17 1.67 7.12 -0.35 0.11 115.31 123.68 1p6r h LEU 49 Ca 0.06 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.19 1p6r h LEU 49 Cb 0.26 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 1p6r h LEU 49 CO -0.16 -0.05 -0.39 0.03 -0.13 0.00 0.00 178.44 177.73 1p6r h ARG 50 N 0.11 -0.63 -0.73 1.25 3.08 -0.40 0.93 114.38 117.98 1p6r h ARG 50 Ca 0.21 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1p6r h ARG 50 Cb 0.31 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1p6r h ARG 50 CO -0.36 -0.42 0.48 -0.07 -1.07 0.00 0.00 179.97 178.53 1p6r h LEU 51 N -0.66 0.85 -0.07 3.04 3.38 -0.59 0.11 115.31 121.38 1p6r h LEU 51 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1p6r h LEU 51 Cb 0.66 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1p6r h LEU 51 CO -0.20 0.62 0.01 0.40 0.09 0.00 0.00 178.44 179.36 1p6r h ILE 52 N 1.00 1.23 -0.86 1.22 2.04 -0.47 0.33 117.51 121.99 1p6r h ILE 52 Ca 0.27 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1p6r h ILE 52 Cb -0.10 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1p6r h ILE 52 CO -0.06 0.19 0.56 0.50 0.00 0.00 0.00 178.15 179.35 1p6r h LYS 53 N -0.14 0.97 0.00 2.37 3.64 -0.24 0.11 116.57 123.28 1p6r h LYS 53 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p6r h LYS 53 Cb 0.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1p6r h LYS 53 CO 0.00 0.64 0.00 1.17 -2.27 0.00 0.00 179.45 179.00 1p6r n LYS 54 N -4.47 0.03 -1.09 1.90 4.81 0.35 -4.88 118.16 114.80 1p6r n LYS 54 Ca 0.12 0.23 -0.03 0.00 -0.87 0.00 0.00 58.31 57.76 1p6r n LYS 54 Cb 0.17 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 33.66 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p6r n GLY 55 N 0.29 0.54 0.12 3.14 0.00 0.40 -4.89 105.19 104.79 1p6r n GLY 55 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.79 -2.25 4.61 0.00 -1.08 -3.42 119.26 117.91 1p6r h ALA 56 Ca -0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 54.91 53.92 1p6r h ALA 56 Cb 0.48 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.01 1p6r h ALA 56 CO 0.09 0.90 -0.68 -0.51 0.00 0.00 0.00 179.25 179.04 1p6r s LEU 57 N -7.31 2.34 0.06 0.00 1.43 -1.18 -0.61 118.68 113.41 1p6r s LEU 57 Ca -0.01 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.03 1p6r s LEU 57 Cb 0.12 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 1p6r s LEU 57 CO 0.78 -0.49 -0.06 0.21 0.23 0.00 0.00 176.35 177.02 1p6r s ASN 58 N -3.13 0.86 -0.04 2.29 3.04 0.46 -4.31 114.94 114.11 1p6r s ASN 58 Ca 0.18 -0.76 0.01 0.00 0.04 0.00 0.00 52.86 52.34 1p6r s ASN 58 Cb 0.05 0.08 -0.03 0.00 -1.54 0.00 0.00 41.25 39.81 1p6r s ASN 58 CO 0.00 -0.35 -0.04 -2.28 -3.04 0.00 0.00 177.10 171.39 1p6r s HIS 59 N -2.46 2.99 -0.02 0.43 5.65 -1.26 -0.33 115.29 120.29 1p6r s HIS 59 Ca -0.01 0.05 -0.00 0.00 0.25 0.00 0.00 55.06 55.35 1p6r s HIS 59 Cb -0.03 -1.69 0.03 0.00 -1.18 0.00 0.00 32.58 29.72 1p6r s HIS 59 CO -0.03 0.40 0.03 -1.01 -0.65 0.00 0.00 174.74 173.48 1p6r s HIS 60 N -0.94 0.04 -0.66 3.88 3.76 -0.32 -4.96 115.29 116.09 1p6r s HIS 60 Ca 0.15 0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.95 1p6r s HIS 60 Cb -0.11 -0.26 0.05 0.00 1.11 0.00 0.00 32.58 33.36 1p6r s HIS 60 CO 0.05 -0.10 1.09 0.21 -0.85 0.00 0.00 174.74 175.14 1p6r s LYS 61 N 1.15 3.21 -1.26 1.40 2.20 -1.26 -0.42 119.74 124.75 1p6r s LYS 61 Ca -0.08 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 1p6r s LYS 61 Cb -0.13 -4.16 0.13 0.00 -1.51 0.00 0.00 37.83 32.16 1p6r s LYS 61 CO -0.03 -1.86 1.64 0.39 -0.36 0.00 0.00 175.35 175.13 1p6r n GLU 62 N 8.29 3.30 0.00 4.03 -0.58 0.67 -4.72 120.64 131.64 1p6r n GLU 62 Ca 0.01 -3.55 0.00 0.00 -0.42 0.00 0.00 57.16 53.20 1p6r n GLU 62 Cb 0.47 -3.20 0.00 0.00 -0.57 0.00 0.00 31.44 28.14 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 4.40 0.92 0.01 0.62 0.00 -1.26 -2.83 105.19 107.06 1p6r n GLY 63 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1p6r n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6r n ARG 64 N 0.00 0.00 -3.97 1.61 5.12 -1.26 -5.05 116.66 113.11 1p6r n ARG 64 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1p6r n ARG 64 Cb 0.00 -0.78 -0.09 0.00 -1.16 0.00 0.00 32.46 30.43 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1p6r s VAL 65 N -1.58 4.98 -0.14 1.55 -7.23 -1.13 -5.08 120.40 111.77 1p6r s VAL 65 Ca 0.00 0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.04 1p6r s VAL 65 Cb 0.00 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 1p6r s VAL 65 CO 0.00 0.50 0.39 0.72 -0.31 0.00 0.00 175.10 176.40 1p6r s PHE 66 N 0.01 3.48 -0.03 2.82 -0.71 -1.26 -0.24 117.98 122.05 1p6r s PHE 66 Ca 0.07 0.74 0.02 0.00 -1.04 0.00 0.00 56.93 56.72 1p6r s PHE 66 Cb -0.12 -2.46 -0.03 0.00 -1.21 0.00 0.00 43.02 39.20 1p6r s PHE 66 CO 0.00 0.19 -0.06 0.14 -1.34 0.00 0.00 175.22 174.15 1p6r s VAL 67 N 0.61 3.74 -0.26 -2.49 -7.23 0.44 -0.94 120.40 114.26 1p6r s VAL 67 Ca 0.21 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.63 1p6r s VAL 67 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1p6r s VAL 67 CO 0.07 0.49 0.35 -0.31 -0.31 0.00 0.00 175.10 175.39 1p6r s TYR 68 N -0.92 3.25 -0.27 2.82 2.02 -0.33 -1.18 117.35 122.75 1p6r s TYR 68 Ca 0.15 0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 1p6r s TYR 68 Cb -0.11 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 1p6r s TYR 68 CO 0.05 -0.20 0.17 0.95 -1.57 0.00 0.00 175.55 174.96 1p6r s THR 69 N 1.95 5.25 0.56 -0.71 -4.23 0.55 -3.05 115.64 115.96 1p6r s THR 69 Ca 0.14 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1p6r s THR 69 Cb -0.16 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 1p6r s THR 69 CO 0.10 0.28 1.14 -2.16 -0.54 0.00 0.00 174.62 173.43 1p6r s PRO 70 N 1.59 3.26 -0.29 3.99 0.04 -1.26 -0.40 135.00 141.92 1p6r s PRO 70 Ca 0.07 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 1p6r s PRO 70 Cb -0.15 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1p6r s PRO 70 CO 0.09 -0.93 0.62 1.21 0.04 0.00 0.00 177.00 178.04 1p6r s ASN 71 N -1.83 -1.15 0.16 6.66 2.47 0.22 -4.82 114.94 116.65 1p6r s ASN 71 Ca 0.73 1.37 -0.16 0.00 0.42 0.00 0.00 52.86 55.21 1p6r s ASN 71 Cb -0.24 2.22 0.03 0.00 -1.45 0.00 0.00 41.25 41.81 1p6r s ASN 71 CO 0.29 -0.23 0.45 -0.63 -3.72 0.00 0.00 177.10 173.26 1p6r s ILE 72 N 2.87 0.05 0.21 -5.21 1.09 -1.26 -3.90 121.20 115.05 1p6r s ILE 72 Ca 0.01 -0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 58.69 1p6r s ILE 72 Cb -0.13 -1.38 0.03 0.00 -1.06 0.00 0.00 42.46 39.92 1p6r s ILE 72 CO -0.19 -0.22 0.56 -0.62 -0.10 0.00 0.00 174.94 174.37 1p6r s ASP 73 N -2.84 -0.27 0.00 3.58 2.15 -1.26 -4.73 116.67 113.30 1p6r s ASP 73 Ca 0.06 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1p6r s ASP 73 Cb 0.01 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1p6r s ASP 73 CO -0.07 -1.11 0.00 -0.62 -0.17 0.00 0.00 175.17 173.20 1p6r n GLU 74 N -0.37 0.00 0.00 4.34 -0.58 -1.25 -4.68 120.64 118.11 1p6r n GLU 74 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1p6r n GLU 74 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.49 1p6r n GLU 74 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1p6r n SER 75 N 0.10 0.00 0.00 1.62 7.64 -1.20 0.27 113.62 122.05 1p6r n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1p6r n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -4.57 6.43 2.03 0.11 0.47 116.55 121.02 1p6r n ASP 76 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1p6r n ASP 76 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1p6r n ASP 76 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1p6r s TYR 77 N -2.07 2.36 0.15 -0.67 5.04 -1.23 -3.48 117.35 117.45 1p6r s TYR 77 Ca 0.00 -0.55 -0.27 0.00 -2.44 0.00 0.00 57.07 53.81 1p6r s TYR 77 Cb 0.00 -4.45 -0.07 0.00 0.35 0.00 0.00 41.96 37.78 1p6r s TYR 77 CO 0.00 -1.71 0.84 0.42 -1.34 0.00 0.00 175.55 173.76 1p6r s ILE 78 N 6.95 4.38 -0.75 3.14 -1.09 -1.26 -4.88 121.20 127.69 1p6r s ILE 78 Ca 0.58 1.83 -0.26 0.00 -2.23 0.00 0.00 60.65 60.57 1p6r s ILE 78 Cb -0.00 -4.20 0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1p6r s ILE 78 CO 0.02 0.46 1.23 -0.70 -1.23 0.00 0.00 174.94 174.73 1p6r s GLU 79 N -0.80 3.21 -0.31 2.79 -6.30 -1.26 -0.72 118.70 115.31 1p6r s GLU 79 Ca 0.39 -0.45 -0.00 0.00 -2.50 0.00 0.00 54.97 52.40 1p6r s GLU 79 Cb -0.23 -4.30 0.07 0.00 0.00 0.00 0.00 34.13 29.67 1p6r s GLU 79 CO 0.27 -2.08 0.02 0.54 0.02 0.00 0.00 175.26 174.03 1p6r s VAL 80 N 5.31 2.81 0.11 3.70 0.11 0.46 -4.94 120.40 127.95 1p6r s VAL 80 Ca 0.33 -1.63 -0.31 0.00 -2.93 0.00 0.00 61.98 57.44 1p6r s VAL 80 Cb -0.09 -2.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.95 1p6r s VAL 80 CO 0.12 -0.23 1.61 -0.54 -3.33 0.00 0.00 175.10 172.72 1p6r s LYS 81 N 1.17 4.21 0.00 1.54 1.02 -1.26 -2.42 119.74 123.99 1p6r s LYS 81 Ca -0.02 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.30 1p6r s LYS 81 Cb -0.20 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1p6r s LYS 81 CO -0.03 -0.67 0.00 0.43 -0.92 0.00 0.00 175.35 174.16