#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 2.14 -2.20 0.03 0.00 -1.26 -3.50 118.16 113.37 1p6r n LYS 2 Ca 0.00 0.75 -0.36 0.00 0.00 0.00 0.00 58.31 58.71 1p6r n LYS 2 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 35.03 32.62 1p6r n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1p6r s LYS 3 N -1.28 2.84 -0.46 1.64 1.02 -1.25 -3.18 119.74 119.06 1p6r s LYS 3 Ca 0.60 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.62 1p6r s LYS 3 Cb -0.59 -4.68 0.25 0.00 -0.52 0.00 0.00 37.83 32.29 1p6r s LYS 3 CO 0.57 -2.75 0.83 1.51 -0.92 0.00 0.00 175.35 174.59 1p6r n ILE 4 N 7.22 -0.15 -1.66 2.17 0.13 0.04 -4.99 119.36 122.13 1p6r n ILE 4 Ca 0.25 -2.10 -0.32 0.00 -1.10 0.00 0.00 62.75 59.48 1p6r n ILE 4 Cb 0.50 0.75 0.05 0.00 -0.84 0.00 0.00 39.64 40.10 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1p6r s PRO 5 N 0.18 2.77 0.04 9.51 0.02 -1.23 -4.85 135.00 141.44 1p6r s PRO 5 Ca 0.32 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1p6r s PRO 5 Cb 0.23 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 1p6r s PRO 5 CO -0.20 -1.25 0.14 -0.65 -0.33 0.00 0.00 177.00 174.72 1p6r s GLN 6 N -4.41 3.20 0.11 5.54 1.11 -1.26 -4.25 119.66 119.70 1p6r s GLN 6 Ca 0.64 -0.50 0.10 0.00 0.01 0.00 0.00 55.36 55.61 1p6r s GLN 6 Cb -0.18 -2.92 -0.04 0.00 -1.01 0.00 0.00 33.01 28.86 1p6r s GLN 6 CO 0.46 0.61 -0.26 0.42 0.01 0.00 0.00 175.29 176.53 1p6r s ILE 7 N -1.38 2.29 0.05 1.08 -1.09 -1.26 -4.88 121.20 116.01 1p6r s ILE 7 Ca 0.30 -1.65 -0.26 0.00 -2.23 0.00 0.00 60.65 56.81 1p6r s ILE 7 Cb -0.12 -1.99 0.09 0.00 -1.58 0.00 0.00 42.46 38.85 1p6r s ILE 7 CO 0.22 0.16 1.21 -0.55 -1.23 0.00 0.00 174.94 174.75 1p6r s SER 8 N -1.87 0.01 0.01 3.58 0.15 -1.26 -4.99 113.70 109.32 1p6r s SER 8 Ca 0.14 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 1p6r s SER 8 Cb -0.10 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1p6r s SER 8 CO 0.05 -0.51 1.07 -0.78 1.20 0.00 0.00 173.24 174.27 1p6r h ASP 9 N 2.00 -0.18 -0.34 5.45 3.58 -1.99 -0.63 116.42 124.31 1p6r h ASP 9 Ca -0.24 0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.30 1p6r h ASP 9 Cb 1.19 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.23 1p6r h ASP 9 CO 0.33 -0.08 -0.16 0.00 -2.88 0.00 0.00 179.24 176.45 1p6r h ALA 10 N -1.60 0.11 -0.99 -0.78 0.00 -1.98 0.11 119.26 114.12 1p6r h ALA 10 Ca -0.01 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1p6r h ALA 10 Cb 0.11 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 1p6r h ALA 10 CO -0.01 -0.54 0.59 0.93 0.00 0.00 0.00 179.25 180.22 1p6r h GLU 11 N -0.10 0.68 0.11 0.00 5.08 -1.89 -0.36 114.58 118.11 1p6r h GLU 11 Ca 0.17 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1p6r h GLU 11 Cb 0.36 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1p6r h GLU 11 CO -0.41 0.45 -1.04 1.25 -1.00 0.00 0.00 179.01 178.26 1p6r h LEU 12 N 0.70 0.37 -0.24 1.33 5.85 -0.06 -3.31 115.31 119.96 1p6r h LEU 12 Ca 0.59 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 58.48 1p6r h LEU 12 Cb 0.98 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1p6r h LEU 12 CO -0.41 1.47 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.53 1p6r h GLU 13 N -0.42 -0.30 -0.49 1.25 4.39 -0.21 -0.09 114.58 118.71 1p6r h GLU 13 Ca -0.21 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1p6r h GLU 13 Cb 1.63 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.31 1p6r h GLU 13 CO 0.08 -0.20 0.27 -0.39 -1.16 0.00 0.00 179.01 177.61 1p6r h VAL 14 N -0.31 1.00 -0.14 3.13 -1.51 -1.27 -0.37 116.25 116.77 1p6r h VAL 14 Ca 0.13 -0.18 0.03 0.00 -1.23 0.00 0.00 66.70 65.45 1p6r h VAL 14 Cb 0.52 0.42 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 1p6r h VAL 14 CO -0.41 0.10 -0.07 0.24 -1.23 0.00 0.00 177.57 176.20 1p6r h MET 15 N 0.53 -0.05 -0.48 5.19 2.86 -1.44 0.10 114.93 121.64 1p6r h MET 15 Ca 0.21 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1p6r h MET 15 Cb 0.07 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1p6r h MET 15 CO -0.12 -0.03 0.16 -0.22 1.06 0.00 0.00 176.91 177.76 1p6r h LYS 16 N -0.05 0.32 -0.53 1.72 3.64 -0.60 0.20 116.57 121.27 1p6r h LYS 16 Ca 0.08 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1p6r h LYS 16 Cb 0.17 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1p6r h LYS 16 CO -0.18 0.21 0.31 0.28 -2.27 0.00 0.00 179.45 177.81 1p6r h VAL 17 N 0.33 1.03 0.33 2.00 2.07 -0.18 0.12 116.25 121.95 1p6r h VAL 17 Ca 0.23 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1p6r h VAL 17 Cb 0.25 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1p6r h VAL 17 CO -0.25 0.11 -0.19 0.40 0.02 0.00 0.00 177.57 177.66 1p6r h ILE 18 N 0.61 0.60 -0.61 4.57 2.04 0.09 -2.82 117.51 121.99 1p6r h ILE 18 Ca 0.22 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.24 1p6r h ILE 18 Cb 0.05 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1p6r h ILE 18 CO -0.11 0.00 0.43 -0.50 0.00 0.00 0.00 178.15 177.97 1p6r h TRP 19 N -0.50 0.09 -0.22 1.37 6.55 -0.21 0.73 115.95 123.76 1p6r h TRP 19 Ca -0.04 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.78 1p6r h TRP 19 Cb 0.40 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 1p6r h TRP 19 CO -0.08 0.03 0.03 -0.22 -1.05 0.00 0.00 178.44 177.15 1p6r h LYS 20 N 0.08 0.31 -6.68 0.49 1.63 -0.51 -3.43 116.57 108.46 1p6r h LYS 20 Ca 0.29 -0.04 -0.43 0.00 -0.85 0.00 0.00 60.65 59.61 1p6r h LYS 20 Cb 1.05 -0.06 0.04 0.00 -0.60 0.00 0.00 32.23 32.66 1p6r h LYS 20 CO -0.02 0.32 -0.12 -1.01 -3.45 0.00 0.00 179.45 175.17 1p6r s HIS 21 N -5.04 2.78 -0.00 1.91 3.76 0.25 -5.05 115.29 113.89 1p6r s HIS 21 Ca -0.06 -0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.43 1p6r s HIS 21 Cb 0.16 -2.60 -0.13 0.00 1.11 0.00 0.00 32.58 31.12 1p6r s HIS 21 CO 0.72 -0.72 0.97 0.66 -0.85 0.00 0.00 174.74 175.52 1p6r h SER 22 N 0.28 -0.71 -0.35 1.40 4.64 -1.84 -3.47 113.55 113.50 1p6r h SER 22 Ca -0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1p6r h SER 22 Cb 1.29 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1p6r h SER 22 CO 0.49 -0.32 0.00 -1.20 -0.87 0.00 0.00 176.83 174.93 1p6r n SER 23 N -5.29 0.70 -3.64 4.97 7.64 -1.26 -4.85 113.62 111.89 1p6r n SER 23 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.63 1p6r n SER 23 Cb 0.33 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.21 0.04 0.29 0.44 2.07 -1.23 -4.99 121.20 117.61 1p6r s ILE 24 Ca 0.00 -0.32 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 1p6r s ILE 24 Cb 0.00 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1p6r s ILE 24 CO 0.00 -0.18 0.43 0.54 -1.91 0.00 0.00 174.94 173.83 1p6r s ASN 25 N -1.63 6.25 0.19 4.50 2.20 -1.26 -0.75 114.94 124.44 1p6r s ASN 25 Ca -0.09 0.15 -0.13 0.00 -0.94 0.00 0.00 52.86 51.85 1p6r s ASN 25 Cb -0.02 -1.81 0.20 0.00 -2.00 0.00 0.00 41.25 37.62 1p6r s ASN 25 CO 0.02 -0.20 1.71 0.74 -2.94 0.00 0.00 177.10 176.43 1p6r h THR 26 N 1.00 0.69 0.06 0.54 2.02 -1.64 0.26 112.91 115.84 1p6r h THR 26 Ca -0.50 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1p6r h THR 26 Cb 1.23 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1p6r h THR 26 CO 0.60 0.04 -0.15 -1.13 0.37 0.00 0.00 175.52 175.25 1p6r h ASN 27 N 0.21 -0.42 -0.89 4.18 -1.24 -1.94 0.96 115.58 116.44 1p6r h ASN 27 Ca 0.26 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.34 1p6r h ASN 27 Cb 0.36 0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.53 1p6r h ASN 27 CO -0.36 -0.22 0.58 -0.33 -1.29 0.00 0.00 177.43 175.82 1p6r h GLU 28 N -0.28 1.12 0.49 6.67 3.07 -1.88 -0.74 114.58 123.03 1p6r h GLU 28 Ca 0.03 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1p6r h GLU 28 Cb 0.31 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1p6r h GLU 28 CO -0.10 0.74 -0.23 -0.24 -1.40 0.00 0.00 179.01 177.77 1p6r h VAL 29 N 1.15 0.48 -0.48 3.13 3.04 0.22 0.91 116.25 124.71 1p6r h VAL 29 Ca 0.34 -0.27 0.09 0.00 -1.01 0.00 0.00 66.70 65.85 1p6r h VAL 29 Cb -0.05 0.60 -0.07 0.00 -2.01 0.00 0.00 31.29 29.75 1p6r h VAL 29 CO -0.10 0.04 0.04 0.40 -1.01 0.00 0.00 177.57 176.95 1p6r h ILE 30 N -0.83 0.68 0.65 3.17 2.04 -0.71 0.10 117.51 122.61 1p6r h ILE 30 Ca -0.07 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1p6r h ILE 30 Cb 0.57 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1p6r h ILE 30 CO 0.11 0.03 -0.44 0.50 0.00 0.00 0.00 178.15 178.35 1p6r h LYS 31 N 0.16 -1.00 -0.23 2.37 1.63 -1.00 0.10 116.57 118.61 1p6r h LYS 31 Ca 0.24 0.07 0.05 0.00 -0.85 0.00 0.00 60.65 60.16 1p6r h LYS 31 Cb 0.34 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 1p6r h LYS 31 CO -0.36 -0.67 -0.11 1.49 -3.45 0.00 0.00 179.45 176.35 1p6r h GLU 32 N -1.04 -0.08 0.01 1.90 4.57 -0.42 0.35 114.58 119.87 1p6r h GLU 32 Ca -0.08 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1p6r h GLU 32 Cb 0.85 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1p6r h GLU 32 CO 0.06 -0.06 -0.00 -0.07 -1.18 0.00 0.00 179.01 177.76 1p6r h LEU 33 N -0.09 -0.01 -0.85 1.64 4.07 -0.78 -0.73 115.31 118.57 1p6r h LEU 33 Ca 0.12 -0.08 0.09 0.00 0.08 0.00 0.00 57.88 58.10 1p6r h LEU 33 Cb 0.27 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 1p6r h LEU 33 CO -0.28 0.07 0.50 0.28 -1.08 0.00 0.00 178.44 177.93 1p6r h SER 34 N -0.09 0.74 -0.05 -0.43 0.02 -0.35 0.20 113.55 113.59 1p6r h SER 34 Ca -0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1p6r h SER 34 Cb 0.09 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1p6r h SER 34 CO 0.00 0.43 0.02 0.11 -1.14 0.00 0.00 176.83 176.24 1p6r h LYS 35 N 0.85 0.07 -0.32 3.45 1.57 -0.60 -2.90 116.57 118.69 1p6r h LYS 35 Ca 0.41 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.07 1p6r h LYS 35 Cb 0.35 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1p6r h LYS 35 CO -0.24 0.23 -0.21 1.79 -0.57 0.00 0.00 179.45 180.46 1p6r h THR 36 N -0.10 1.29 -2.67 -0.16 1.35 -0.56 -3.43 112.91 108.63 1p6r h THR 36 Ca 0.02 -1.35 -0.23 0.00 -0.55 0.00 0.00 66.41 64.30 1p6r h THR 36 Cb 0.19 1.46 -0.33 0.00 -1.73 0.00 0.00 68.15 67.74 1p6r h THR 36 CO -0.00 0.44 -0.54 -0.44 -0.25 0.00 0.00 175.52 174.73 1p6r s SER 37 N -6.47 0.54 -0.70 5.36 0.01 0.64 -5.08 113.70 108.00 1p6r s SER 37 Ca -0.12 0.40 -0.23 0.00 1.31 0.00 0.00 55.95 57.30 1p6r s SER 37 Cb 0.09 0.70 -0.18 0.00 0.21 0.00 0.00 66.02 66.84 1p6r s SER 37 CO 0.82 -0.26 1.89 0.35 0.41 0.00 0.00 173.24 176.45 1p6r n THR 38 N 5.35 1.60 -3.43 1.44 -2.24 -1.10 -3.85 114.28 112.05 1p6r n THR 38 Ca -0.06 -1.41 -0.40 0.00 -2.27 0.00 0.00 64.05 59.91 1p6r n THR 38 Cb 0.50 -2.28 -0.10 0.00 -2.10 0.00 0.00 70.33 66.35 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 5.49 3.22 0.41 4.78 0.51 -1.26 -5.06 118.94 127.04 1p6r s TRP 39 Ca 0.59 0.11 -0.23 0.00 -2.12 0.00 0.00 56.10 54.45 1p6r s TRP 39 Cb 0.14 -2.60 -0.12 0.00 -0.81 0.00 0.00 33.47 30.09 1p6r s TRP 39 CO 0.15 -0.34 0.73 0.43 -0.51 0.00 0.00 176.95 177.41 1p6r n SER 40 N 5.31 -0.04 -0.30 2.95 7.64 -1.26 -4.55 113.62 123.37 1p6r n SER 40 Ca -0.10 0.96 0.10 0.00 1.01 0.00 0.00 58.87 60.85 1p6r n SER 40 Cb 0.50 -1.20 0.21 0.00 -1.01 0.00 0.00 64.21 62.71 1p6r n SER 40 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1p6r n PRO 41 N 0.40 -0.07 -0.25 1.43 -0.02 -1.26 0.08 135.00 135.31 1p6r n PRO 41 Ca 0.11 1.31 0.03 0.00 -2.02 0.00 0.00 63.50 62.93 1p6r n PRO 41 Cb 0.39 -2.04 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1p6r n PRO 41 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1p6r h LYS 42 N 0.00 0.47 -0.16 -0.52 1.57 -1.99 0.25 116.57 116.19 1p6r h LYS 42 Ca 0.49 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1p6r h LYS 42 Cb 0.93 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1p6r h LYS 42 CO -0.84 0.31 -0.07 1.15 -0.57 0.00 0.00 179.45 179.44 1p6r h THR 43 N 0.49 0.77 0.23 -0.16 2.02 -0.66 0.88 112.91 116.47 1p6r h THR 43 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1p6r h THR 43 Cb 0.51 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1p6r h THR 43 CO -0.35 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 175.69 1p6r h ILE 44 N -0.05 0.46 -0.80 3.11 1.08 -1.05 0.42 117.51 120.68 1p6r h ILE 44 Ca 0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.63 1p6r h ILE 44 Cb 0.18 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 1p6r h ILE 44 CO -0.19 0.00 0.47 1.56 -0.69 0.00 0.00 178.15 179.29 1p6r h GLN 45 N -0.53 0.80 0.03 2.37 1.08 -0.75 0.10 115.11 118.22 1p6r h GLN 45 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1p6r h GLN 45 Cb 0.50 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1p6r h GLN 45 CO -0.07 0.53 -0.02 1.15 -0.95 0.00 0.00 178.83 179.48 1p6r h THR 46 N 0.83 1.04 -0.12 -0.54 2.02 -0.32 0.12 112.91 115.93 1p6r h THR 46 Ca 0.36 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1p6r h THR 46 Cb 0.25 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1p6r h THR 46 CO -0.20 0.06 -0.15 0.24 0.37 0.00 0.00 175.52 175.84 1p6r h MET 47 N -0.15 -0.18 -0.21 6.66 2.86 -0.32 -0.13 114.93 123.46 1p6r h MET 47 Ca -0.00 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1p6r h MET 47 Cb 0.14 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1p6r h MET 47 CO 0.01 -0.12 -0.05 -0.07 1.06 0.00 0.00 176.91 177.74 1p6r h LEU 48 N -0.18 -0.20 -0.22 1.22 3.38 -0.90 -2.56 115.31 115.85 1p6r h LEU 48 Ca 0.09 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1p6r h LEU 48 Cb 0.32 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1p6r h LEU 48 CO -0.23 -0.07 -0.15 0.25 0.09 0.00 0.00 178.44 178.32 1p6r h LEU 49 N 0.00 -0.49 0.06 1.67 7.12 -0.12 0.99 115.31 124.53 1p6r h LEU 49 Ca 0.10 0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.23 1p6r h LEU 49 Cb 0.16 0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.50 1p6r h LEU 49 CO -0.22 -0.19 -0.44 0.03 -0.13 0.00 0.00 178.44 177.49 1p6r h ARG 50 N -0.15 -0.58 -0.15 1.25 3.08 -0.74 0.82 114.38 117.92 1p6r h ARG 50 Ca 0.12 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1p6r h ARG 50 Cb 0.34 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1p6r h ARG 50 CO -0.31 -0.38 -0.39 -0.07 -1.07 0.00 0.00 179.97 177.75 1p6r h LEU 51 N -0.60 -1.23 0.03 3.04 4.07 -1.22 0.45 115.31 119.86 1p6r h LEU 51 Ca -0.00 0.17 0.03 0.00 0.08 0.00 0.00 57.88 58.16 1p6r h LEU 51 Cb 0.61 0.51 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 1p6r h LEU 51 CO -0.26 -0.41 -0.31 0.40 -1.08 0.00 0.00 178.44 176.79 1p6r h ILE 52 N -0.46 0.33 -0.62 1.22 2.04 -0.59 0.23 117.51 119.67 1p6r h ILE 52 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 1p6r h ILE 52 Cb 0.61 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1p6r h ILE 52 CO -0.40 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.42 1p6r h LYS 53 N -0.48 0.29 -0.94 2.37 3.64 -0.56 -0.06 116.57 120.84 1p6r h LYS 53 Ca 0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1p6r h LYS 53 Cb 0.55 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1p6r h LYS 53 CO -0.24 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.77 1p6r n LYS 54 N -5.10 1.56 -2.18 1.90 4.76 0.13 -0.14 118.16 119.09 1p6r n LYS 54 Ca 0.10 -0.45 -0.16 0.00 -2.87 0.00 0.00 58.31 54.93 1p6r n LYS 54 Cb 0.33 -1.61 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 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 0.09 -0.01 0.08 0.72 0.00 -0.05 -0.78 105.19 105.25 1p6r n GLY 55 Ca 0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 0.64 -0.02 -3.51 4.61 0.00 -0.73 -3.41 119.26 116.84 1p6r h ALA 56 Ca -0.37 -0.55 -0.56 0.00 0.00 0.00 0.00 54.91 53.44 1p6r h ALA 56 Cb 1.24 0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.73 1p6r h ALA 56 CO 0.45 0.10 -0.83 -0.51 0.00 0.00 0.00 179.25 178.46 1p6r s LEU 57 N -8.17 1.80 0.27 0.00 1.43 -1.26 -0.45 118.68 112.31 1p6r s LEU 57 Ca -0.17 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1p6r s LEU 57 Cb -0.02 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 1p6r s LEU 57 CO 0.73 0.09 0.58 0.21 0.23 0.00 0.00 176.35 178.19 1p6r s ASN 58 N 0.45 6.55 0.09 2.29 2.47 0.12 -4.45 114.94 122.47 1p6r s ASN 58 Ca -0.13 0.88 0.02 0.00 0.42 0.00 0.00 52.86 54.04 1p6r s ASN 58 Cb -0.15 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.40 1p6r s ASN 58 CO 0.05 -0.16 -0.06 -1.38 -3.72 0.00 0.00 177.10 171.82 1p6r s HIS 59 N -1.98 0.84 0.04 0.43 -3.43 -1.26 -0.13 115.29 109.80 1p6r s HIS 59 Ca 0.47 -0.89 0.06 0.00 -0.80 0.00 0.00 55.06 53.90 1p6r s HIS 59 Cb -0.11 -0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 30.52 1p6r s HIS 59 CO 0.25 -0.16 -0.17 -1.58 -2.00 0.00 0.00 174.74 171.08 1p6r s HIS 60 N -3.43 1.45 -0.04 0.38 2.46 -0.16 -4.97 115.29 110.98 1p6r s HIS 60 Ca 0.09 -0.36 -0.25 0.00 0.47 0.00 0.00 55.06 55.01 1p6r s HIS 60 Cb 0.04 -0.86 -0.04 0.00 -0.13 0.00 0.00 32.58 31.59 1p6r s HIS 60 CO -0.05 0.06 0.78 0.15 -2.47 0.00 0.00 174.74 173.21 1p6r s LYS 61 N -1.17 4.47 -0.59 2.88 -0.14 -1.26 -0.03 119.74 123.90 1p6r s LYS 61 Ca 0.04 1.03 0.05 0.00 -1.36 0.00 0.00 55.97 55.73 1p6r s LYS 61 Cb -0.08 -3.45 0.19 0.00 -1.68 0.00 0.00 37.83 32.81 1p6r s LYS 61 CO 0.01 0.04 0.49 -1.91 -0.76 0.00 0.00 175.35 173.23 1p6r n GLU 62 N 3.78 1.40 0.00 1.68 2.13 0.95 -4.89 120.64 125.69 1p6r n GLU 62 Ca 0.01 -4.06 0.00 0.00 0.66 0.00 0.00 57.16 53.77 1p6r n GLU 62 Cb 0.51 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 1.99 0.98 0.18 8.31 0.00 -1.26 -1.04 105.19 114.35 1p6r n GLY 63 Ca 0.24 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 0.03 -5.46 1.61 2.43 -2.03 -3.46 114.38 107.50 1p6r h ARG 64 Ca 0.00 -0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.58 1p6r h ARG 64 Cb 0.00 -0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 1p6r h ARG 64 CO 0.00 0.44 -0.59 0.14 -1.51 0.00 0.00 179.97 178.45 1p6r s VAL 65 N -4.09 1.63 -0.03 0.20 -7.23 -0.21 -5.00 120.40 105.67 1p6r s VAL 65 Ca -0.03 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1p6r s VAL 65 Cb 0.14 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1p6r s VAL 65 CO 0.74 0.00 -0.19 0.72 -0.31 0.00 0.00 175.10 176.06 1p6r s PHE 66 N -2.94 1.78 -0.08 2.82 -0.71 -1.26 -0.03 117.98 117.56 1p6r s PHE 66 Ca 0.33 -0.42 -0.23 0.00 -1.04 0.00 0.00 56.93 55.57 1p6r s PHE 66 Cb 0.09 -1.17 -0.04 0.00 -1.21 0.00 0.00 43.02 40.70 1p6r s PHE 66 CO 0.16 -0.10 0.69 0.08 -1.34 0.00 0.00 175.22 174.72 1p6r s VAL 67 N -0.23 5.04 -0.28 -2.49 1.01 0.96 -1.58 120.40 122.83 1p6r s VAL 67 Ca 0.02 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 1p6r s VAL 67 Cb -0.10 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1p6r s VAL 67 CO 0.01 0.24 0.26 -0.31 0.00 0.00 0.00 175.10 175.30 1p6r s TYR 68 N 0.89 3.23 -0.33 5.22 2.02 0.07 -0.99 117.35 127.47 1p6r s TYR 68 Ca 0.37 0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1p6r s TYR 68 Cb -0.17 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 38.94 1p6r s TYR 68 CO 0.17 -0.19 0.14 0.95 -1.57 0.00 0.00 175.55 175.06 1p6r s THR 69 N 1.88 4.32 -0.10 -0.71 -4.23 0.82 -3.47 115.64 114.15 1p6r s THR 69 Ca 0.10 -0.70 -0.38 0.00 -1.18 0.00 0.00 61.69 59.53 1p6r s THR 69 Cb -0.16 -3.29 -0.16 0.00 1.34 0.00 0.00 72.50 70.23 1p6r s THR 69 CO 0.11 -0.04 1.58 -2.65 -0.54 0.00 0.00 174.62 173.08 1p6r n PRO 70 N 4.93 1.27 0.03 3.99 -0.02 -1.26 -0.70 135.00 143.25 1p6r n PRO 70 Ca -0.13 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.64 1p6r n PRO 70 Cb 0.47 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 1p6r n PRO 70 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1p6r h ASN 71 N 6.21 0.33 -2.11 2.55 -0.00 -1.05 -3.44 115.58 118.07 1p6r h ASN 71 Ca -0.47 -0.57 -0.55 0.00 -0.00 0.00 0.00 56.30 54.71 1p6r h ASN 71 Cb 1.32 -0.11 -0.09 0.00 -0.00 0.00 0.00 38.32 39.44 1p6r h ASN 71 CO 0.88 1.49 -0.61 0.27 -0.00 0.00 0.00 177.43 179.46 1p6r s ILE 72 N -2.60 3.37 0.34 2.57 -0.00 -1.04 -5.00 121.20 118.84 1p6r s ILE 72 Ca -0.12 -1.84 0.01 0.00 -0.00 0.00 0.00 60.65 58.71 1p6r s ILE 72 Cb 0.07 -2.91 -0.03 0.00 -0.00 0.00 0.00 42.46 39.59 1p6r s ILE 72 CO 0.83 -0.32 0.52 -0.62 -0.00 0.00 0.00 174.94 175.35 1p6r s ASP 73 N -3.73 6.27 0.26 4.36 2.15 -1.26 -4.94 116.67 119.78 1p6r s ASP 73 Ca 0.33 0.37 -0.03 0.00 0.43 0.00 0.00 52.55 53.65 1p6r s ASP 73 Cb -0.05 -1.96 0.53 0.00 -0.30 0.00 0.00 42.92 41.14 1p6r s ASP 73 CO 0.21 -0.28 1.66 -0.33 -0.17 0.00 0.00 175.17 176.25 1p6r h GLU 74 N 0.80 0.19 -0.16 4.34 5.08 -2.01 0.26 114.58 123.08 1p6r h GLU 74 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1p6r h GLU 74 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1p6r h GLU 74 CO 0.61 0.13 0.11 0.66 -1.00 0.00 0.00 179.01 179.51 1p6r h SER 75 N 0.20 0.17 0.92 1.42 4.64 -2.03 -2.02 113.55 116.85 1p6r h SER 75 Ca 0.46 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.55 1p6r h SER 75 Cb 0.84 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 1p6r h SER 75 CO -0.61 0.12 -1.10 0.44 -0.87 0.00 0.00 176.83 174.82 1p6r h ASP 76 N 0.20 0.03 0.00 4.97 3.32 -0.94 -3.39 116.42 120.61 1p6r h ASP 76 Ca 0.06 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1p6r h ASP 76 Cb -0.01 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1p6r h ASP 76 CO -0.01 1.02 -0.08 0.00 -1.72 0.00 0.00 179.24 178.45 1p6r n TYR 77 N -3.33 0.00 -4.07 4.55 9.36 -0.37 -4.72 117.16 118.58 1p6r n TYR 77 Ca -0.02 -0.97 -0.31 0.00 3.32 0.00 0.00 57.90 59.92 1p6r n TYR 77 Cb 0.96 -1.18 -0.16 0.00 -0.63 0.00 0.00 39.34 38.33 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 1.70 1.66 -0.70 2.97 1.01 -1.26 -4.97 121.20 121.61 1p6r s ILE 78 Ca 0.43 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 1p6r s ILE 78 Cb 0.21 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1p6r s ILE 78 CO 0.00 0.47 1.61 -0.70 0.00 0.00 0.00 174.94 176.33 1p6r s GLU 79 N 1.41 2.89 0.39 2.79 2.12 -1.26 -4.94 118.70 122.10 1p6r s GLU 79 Ca 0.04 0.15 -0.25 0.00 0.36 0.00 0.00 54.97 55.27 1p6r s GLU 79 Cb -0.13 -4.38 -0.09 0.00 0.26 0.00 0.00 34.13 29.79 1p6r s GLU 79 CO -0.10 -2.51 1.10 0.14 -0.54 0.00 0.00 175.26 173.34 1p6r s VAL 80 N 7.62 3.47 0.09 3.70 -7.23 -1.26 -5.04 120.40 121.75 1p6r s VAL 80 Ca 0.53 1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 61.90 1p6r s VAL 80 Cb -0.10 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 1p6r s VAL 80 CO 0.16 0.08 0.02 -0.54 -0.31 0.00 0.00 175.10 174.51 1p6r s LYS 81 N -2.30 0.78 0.00 4.82 -0.14 -1.26 -5.14 119.74 116.50 1p6r s LYS 81 Ca 0.56 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1p6r s LYS 81 Cb -0.26 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 36.12 1p6r s LYS 81 CO 0.33 -0.19 0.00 0.43 -0.76 0.00 0.00 175.35 175.16