#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 1.94 -1.25 2.12 2.85 -1.26 -4.85 118.16 117.72 1p6r n LYS 2 Ca 0.00 0.70 -0.36 0.00 -1.05 0.00 0.00 58.31 57.60 1p6r n LYS 2 Cb 0.00 -2.53 -0.02 0.00 -0.65 0.00 0.00 35.03 31.83 1p6r n LYS 2 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1p6r n LYS 3 N -0.42 2.99 -1.76 -1.58 4.76 -1.26 -4.94 118.16 115.95 1p6r n LYS 3 Ca 0.08 -2.08 -0.42 0.00 -2.87 0.00 0.00 58.31 53.02 1p6r n LYS 3 Cb 0.42 -2.82 -0.03 0.00 -1.84 0.00 0.00 35.03 30.76 1p6r n LYS 3 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1p6r s ILE 4 N 2.89 2.76 -0.28 -0.18 1.10 -1.26 -4.91 121.20 121.30 1p6r s ILE 4 Ca 0.57 0.16 -0.29 0.00 -0.51 0.00 0.00 60.65 60.59 1p6r s ILE 4 Cb 0.15 -3.10 -0.01 0.00 0.15 0.00 0.00 42.46 39.65 1p6r s ILE 4 CO -0.05 -0.00 1.44 -2.16 -2.11 0.00 0.00 174.94 172.06 1p6r s PRO 5 N 3.05 3.82 -1.39 3.50 0.04 -1.26 -4.90 135.00 137.86 1p6r s PRO 5 Ca 0.80 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 1p6r s PRO 5 Cb -0.44 -3.96 0.07 0.00 0.04 0.00 0.00 34.50 30.22 1p6r s PRO 5 CO 0.36 -1.25 2.03 0.00 0.04 0.00 0.00 177.00 178.19 1p6r n GLN 6 N 7.54 3.08 -2.82 4.56 -0.00 -1.26 -4.63 117.38 123.85 1p6r n GLN 6 Ca 0.17 -2.95 -0.36 0.00 -0.00 0.00 0.00 57.00 53.85 1p6r n GLN 6 Cb 0.46 -3.26 -0.06 0.00 -0.00 0.00 0.00 30.24 27.38 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1p6r s ILE 7 N 2.83 4.27 0.62 -0.39 1.01 -1.26 -5.08 121.20 123.20 1p6r s ILE 7 Ca 0.47 1.73 -0.06 0.00 0.00 0.00 0.00 60.65 62.79 1p6r s ILE 7 Cb 0.10 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1p6r s ILE 7 CO -0.04 0.10 0.92 -0.94 0.00 0.00 0.00 174.94 174.99 1p6r s SER 8 N -1.68 5.33 0.12 3.58 1.04 -1.26 -4.87 113.70 115.96 1p6r s SER 8 Ca 0.51 0.58 -0.27 0.00 0.48 0.00 0.00 55.95 57.25 1p6r s SER 8 Cb -0.17 -1.46 -0.07 0.00 0.10 0.00 0.00 66.02 64.42 1p6r s SER 8 CO 0.22 -1.23 1.63 -0.78 0.98 0.00 0.00 173.24 174.06 1p6r h ASP 9 N -0.28 -0.84 -0.55 7.02 3.58 -1.98 0.11 116.42 123.47 1p6r h ASP 9 Ca -0.45 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.21 1p6r h ASP 9 Cb 1.28 0.33 -0.08 0.00 1.72 0.00 0.00 39.33 42.58 1p6r h ASP 9 CO 0.60 -0.37 0.09 0.00 -2.88 0.00 0.00 179.24 176.69 1p6r h ALA 10 N 0.27 0.62 -0.10 -0.78 0.00 -2.01 -0.52 119.26 116.74 1p6r h ALA 10 Ca 0.05 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1p6r h ALA 10 Cb 0.53 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p6r h ALA 10 CO -0.21 -0.32 0.05 0.93 0.00 0.00 0.00 179.25 179.70 1p6r h GLU 11 N 0.22 0.14 -1.01 0.00 5.08 -1.83 -2.90 114.58 114.30 1p6r h GLU 11 Ca 0.28 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.83 1p6r h GLU 11 Cb 0.41 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 1p6r h GLU 11 CO -0.39 0.19 0.61 1.25 -1.00 0.00 0.00 179.01 179.67 1p6r h LEU 12 N 0.06 0.77 -0.66 1.33 5.85 0.63 0.90 115.31 124.19 1p6r h LEU 12 Ca 0.04 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1p6r h LEU 12 Cb 0.09 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1p6r h LEU 12 CO -0.01 0.25 0.35 -0.33 -0.34 0.00 0.00 178.44 178.36 1p6r h GLU 13 N 0.74 0.61 -0.46 1.25 4.39 -0.94 0.37 114.58 120.54 1p6r h GLU 13 Ca 0.59 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 60.20 1p6r h GLU 13 Cb 0.95 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1p6r h GLU 13 CO -0.40 0.41 0.06 -0.39 -1.16 0.00 0.00 179.01 177.53 1p6r h VAL 14 N 0.63 1.25 -0.27 3.13 -1.51 -0.87 -1.96 116.25 116.65 1p6r h VAL 14 Ca 0.30 -0.94 0.06 0.00 -1.23 0.00 0.00 66.70 64.90 1p6r h VAL 14 Cb 0.23 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 30.30 1p6r h VAL 14 CO -0.21 0.33 -0.20 0.24 -1.23 0.00 0.00 177.57 176.50 1p6r h MET 15 N 0.63 -0.18 -0.63 5.19 2.86 -0.52 0.08 114.93 122.36 1p6r h MET 15 Ca 0.14 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.91 1p6r h MET 15 Cb 0.41 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 1p6r h MET 15 CO 0.01 -0.12 0.13 -0.22 1.06 0.00 0.00 176.91 177.77 1p6r h LYS 16 N -0.19 0.25 0.29 1.72 1.63 -0.61 0.35 116.57 120.02 1p6r h LYS 16 Ca 0.15 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1p6r h LYS 16 Cb 0.41 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1p6r h LYS 16 CO -0.38 0.16 -0.15 0.28 -3.45 0.00 0.00 179.45 175.92 1p6r h VAL 17 N 0.26 0.69 -0.97 2.00 2.07 -0.52 0.30 116.25 120.08 1p6r h VAL 17 Ca 0.34 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.97 1p6r h VAL 17 Cb 0.52 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1p6r h VAL 17 CO -0.43 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.18 1p6r h ILE 18 N -0.41 0.94 -0.05 4.57 2.04 0.24 -1.58 117.51 123.27 1p6r h ILE 18 Ca -0.04 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 65.28 1p6r h ILE 18 Cb 0.32 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1p6r h ILE 18 CO 0.06 0.18 -0.83 -0.50 0.00 0.00 0.00 178.15 177.05 1p6r h TRP 19 N 0.97 0.61 0.15 1.37 6.55 -0.11 -3.31 115.95 122.19 1p6r h TRP 19 Ca 0.47 -0.30 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 1p6r h TRP 19 Cb 0.46 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 1p6r h TRP 19 CO -0.00 1.09 -0.07 -0.22 -1.05 0.00 0.00 178.44 178.19 1p6r h LYS 20 N 0.27 -0.20 -7.44 0.49 1.63 0.50 -3.43 116.57 108.39 1p6r h LYS 20 Ca -0.06 0.01 -0.46 0.00 -0.85 0.00 0.00 60.65 59.30 1p6r h LYS 20 Cb 1.44 0.04 0.14 0.00 -0.60 0.00 0.00 32.23 33.26 1p6r h LYS 20 CO 0.15 0.07 0.25 -1.01 -3.45 0.00 0.00 179.45 175.46 1p6r s HIS 21 N -5.12 2.33 0.03 1.91 3.76 -0.68 -4.99 115.29 112.53 1p6r s HIS 21 Ca -0.15 0.90 -0.31 0.00 -0.15 0.00 0.00 55.06 55.36 1p6r s HIS 21 Cb 0.03 -3.34 -0.17 0.00 1.11 0.00 0.00 32.58 30.21 1p6r s HIS 21 CO 0.62 -2.61 1.28 0.66 -0.85 0.00 0.00 174.74 173.85 1p6r h SER 22 N -1.68 -0.91 -0.31 1.40 4.64 -1.85 -3.46 113.55 111.38 1p6r h SER 22 Ca -0.52 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1p6r h SER 22 Cb 1.33 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1p6r h SER 22 CO 0.60 -0.55 0.00 -1.20 -0.87 0.00 0.00 176.83 174.81 1p6r n SER 23 N -5.49 0.62 -3.68 4.97 7.64 -1.26 -4.87 113.62 111.55 1p6r n SER 23 Ca -0.14 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.60 1p6r n SER 23 Cb 0.43 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.04 0.04 0.35 0.44 2.07 -1.24 -4.94 121.20 117.96 1p6r s ILE 24 Ca 0.00 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 1p6r s ILE 24 Cb 0.00 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 1p6r s ILE 24 CO 0.00 -0.19 0.51 0.54 -1.91 0.00 0.00 174.94 173.90 1p6r s ASN 25 N -1.41 6.06 0.18 4.50 2.20 -1.26 -1.48 114.94 123.72 1p6r s ASN 25 Ca -0.11 0.10 -0.18 0.00 -0.94 0.00 0.00 52.86 51.72 1p6r s ASN 25 Cb -0.03 -1.58 0.13 0.00 -2.00 0.00 0.00 41.25 37.77 1p6r s ASN 25 CO 0.05 -0.40 1.62 0.74 -2.94 0.00 0.00 177.10 176.16 1p6r h THR 26 N 0.79 0.36 -0.50 0.54 2.02 -1.36 0.14 112.91 114.89 1p6r h THR 26 Ca -0.48 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.72 1p6r h THR 26 Cb 1.24 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1p6r h THR 26 CO 0.57 0.00 0.30 -1.13 0.37 0.00 0.00 175.52 175.63 1p6r h ASN 27 N -0.12 0.49 -0.25 4.18 -0.00 -1.96 -0.05 115.58 117.87 1p6r h ASN 27 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.50 1p6r h ASN 27 Cb 0.46 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 1p6r h ASN 27 CO -0.55 0.34 0.06 -0.33 -0.00 0.00 0.00 177.43 176.96 1p6r h GLU 28 N 0.60 0.40 0.28 6.67 5.08 -1.79 -0.94 114.58 124.89 1p6r h GLU 28 Ca 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1p6r h GLU 28 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1p6r h GLU 28 CO -0.09 0.51 -0.14 -0.24 -1.00 0.00 0.00 179.01 178.04 1p6r h VAL 29 N 0.23 0.71 -0.08 3.13 3.04 -0.36 0.11 116.25 123.02 1p6r h VAL 29 Ca 0.08 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.79 1p6r h VAL 29 Cb 0.29 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 1p6r h VAL 29 CO 0.00 0.00 -0.03 0.40 -1.01 0.00 0.00 177.57 176.93 1p6r h ILE 30 N -0.39 0.89 0.08 3.17 2.04 -1.01 0.41 117.51 122.71 1p6r h ILE 30 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1p6r h ILE 30 Cb 0.30 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1p6r h ILE 30 CO 0.06 0.00 -0.23 0.50 0.00 0.00 0.00 178.15 178.48 1p6r h LYS 31 N -0.02 -0.40 0.24 2.37 1.63 -0.95 0.11 116.57 119.55 1p6r h LYS 31 Ca 0.04 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1p6r h LYS 31 Cb 0.09 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1p6r h LYS 31 CO -0.10 -0.27 -0.22 1.49 -3.45 0.00 0.00 179.45 176.91 1p6r h GLU 32 N -0.41 -0.47 0.53 1.90 4.57 -0.59 0.16 114.58 120.28 1p6r h GLU 32 Ca 0.04 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1p6r h GLU 32 Cb 0.45 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1p6r h GLU 32 CO -0.15 -0.31 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.04 1p6r h LEU 33 N -0.48 -0.61 -0.98 1.64 -0.00 -0.80 -1.20 115.31 112.87 1p6r h LEU 33 Ca -0.01 0.02 0.16 0.00 -0.00 0.00 0.00 57.88 58.05 1p6r h LEU 33 Cb 0.44 0.16 -0.10 0.00 -0.00 0.00 0.00 40.66 41.16 1p6r h LEU 33 CO -0.04 -0.43 0.60 0.28 -0.00 0.00 0.00 178.44 178.85 1p6r h SER 34 N -0.72 0.81 -0.05 -0.43 0.02 -0.68 0.49 113.55 112.99 1p6r h SER 34 Ca -0.07 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1p6r h SER 34 Cb 0.55 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1p6r h SER 34 CO 0.12 0.36 0.02 0.11 -1.14 0.00 0.00 176.83 176.29 1p6r h LYS 35 N 0.84 0.08 0.05 3.45 1.57 -0.70 -3.29 116.57 118.57 1p6r h LYS 35 Ca 0.53 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1p6r h LYS 35 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1p6r h LYS 35 CO -0.33 0.25 -0.02 1.79 -0.57 0.00 0.00 179.45 180.56 1p6r h THR 36 N -0.10 0.00 -3.40 -0.16 1.35 -0.24 -3.43 112.91 106.93 1p6r h THR 36 Ca 0.02 -0.14 -0.70 0.00 -0.55 0.00 0.00 66.41 65.03 1p6r h THR 36 Cb 0.20 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 66.43 1p6r h THR 36 CO -0.00 0.00 -0.18 -0.94 -0.25 0.00 0.00 175.52 174.15 1p6r s SER 37 N -3.20 6.19 -1.04 5.36 1.04 0.16 -5.00 113.70 117.20 1p6r s SER 37 Ca -0.01 -0.91 -0.25 0.00 0.48 0.00 0.00 55.95 55.26 1p6r s SER 37 Cb 0.00 -2.23 -0.18 0.00 0.10 0.00 0.00 66.02 63.71 1p6r s SER 37 CO 0.03 -0.68 1.99 0.35 0.98 0.00 0.00 173.24 175.92 1p6r n THR 38 N 5.42 0.94 -4.92 2.02 -2.24 -1.24 -3.59 114.28 110.66 1p6r n THR 38 Ca -0.08 -0.96 -0.28 0.00 -2.27 0.00 0.00 64.05 60.45 1p6r n THR 38 Cb 0.46 -2.09 -0.15 0.00 -2.10 0.00 0.00 70.33 66.45 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 13.33 2.08 0.78 4.78 0.51 -1.26 -5.06 118.94 134.09 1p6r s TRP 39 Ca 0.74 -0.39 -0.11 0.00 -2.12 0.00 0.00 56.10 54.22 1p6r s TRP 39 Cb -0.01 -1.28 0.06 0.00 -0.81 0.00 0.00 33.47 31.44 1p6r s TRP 39 CO 0.17 0.06 1.09 -1.12 -0.51 0.00 0.00 176.95 176.64 1p6r s SER 40 N -0.96 4.47 0.24 2.95 0.01 -1.26 -4.37 113.70 114.77 1p6r s SER 40 Ca 0.09 1.77 -0.06 0.00 1.31 0.00 0.00 55.95 59.07 1p6r s SER 40 Cb -0.09 -2.48 0.41 0.00 0.21 0.00 0.00 66.02 64.07 1p6r s SER 40 CO 0.01 -2.05 1.72 -0.65 0.41 0.00 0.00 173.24 172.68 1p6r h PRO 41 N -1.14 0.39 0.15 12.44 0.11 -1.99 -0.04 132.00 141.92 1p6r h PRO 41 Ca -0.44 -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 0.52 0.26 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.26 1p6r h LYS 42 N 0.40 -0.22 -0.11 1.05 3.11 -1.99 -0.18 116.57 118.64 1p6r h LYS 42 Ca 0.39 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.29 1p6r h LYS 42 Cb 0.58 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.80 1p6r h LYS 42 CO -0.40 -0.15 -0.35 1.15 -2.81 0.00 0.00 179.45 176.89 1p6r h THR 43 N -0.23 0.24 0.16 1.00 2.02 -1.72 0.81 112.91 115.20 1p6r h THR 43 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1p6r h THR 43 Cb 0.19 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1p6r h THR 43 CO 0.02 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 176.06 1p6r h ILE 44 N -0.44 0.46 -0.49 3.11 2.04 -0.91 -0.30 117.51 120.97 1p6r h ILE 44 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1p6r h ILE 44 Cb 0.58 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1p6r h ILE 44 CO -0.36 0.00 0.09 1.56 0.00 0.00 0.00 178.15 179.44 1p6r h GLN 45 N -0.48 0.21 0.44 2.37 4.20 -0.71 0.80 115.11 121.95 1p6r h GLN 45 Ca 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1p6r h GLN 45 Cb 0.48 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1p6r h GLN 45 CO -0.11 0.14 -0.43 1.15 -0.67 0.00 0.00 178.83 178.90 1p6r h THR 46 N 0.22 0.13 -0.56 -0.54 2.02 -0.34 0.32 112.91 114.17 1p6r h THR 46 Ca 0.25 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.52 1p6r h THR 46 Cb 0.33 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.80 1p6r h THR 46 CO -0.33 0.00 0.13 0.24 0.37 0.00 0.00 175.52 175.93 1p6r h MET 47 N -0.88 0.26 -0.03 6.66 2.86 -0.58 -2.29 114.93 120.92 1p6r h MET 47 Ca -0.04 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1p6r h MET 47 Cb 0.78 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1p6r h MET 47 CO -0.06 0.17 -0.21 1.37 1.06 0.00 0.00 176.91 179.24 1p6r h LEU 48 N 0.27 0.23 -0.93 1.22 8.10 -0.66 -3.19 115.31 120.36 1p6r h LEU 48 Ca 0.28 -0.69 0.26 0.00 0.11 0.00 0.00 57.88 57.85 1p6r h LEU 48 Cb 0.40 -0.07 -0.14 0.00 -0.44 0.00 0.00 40.66 40.40 1p6r h LEU 48 CO -0.36 0.89 0.36 0.25 -4.11 0.00 0.00 178.44 175.47 1p6r h LEU 49 N -0.40 0.20 -0.90 0.17 6.46 -0.21 0.24 115.31 120.87 1p6r h LEU 49 Ca -0.02 0.19 0.23 0.00 -0.12 0.00 0.00 57.88 58.16 1p6r h LEU 49 Cb 0.90 0.22 -0.13 0.00 -0.73 0.00 0.00 40.66 40.91 1p6r h LEU 49 CO 0.04 -0.14 0.39 0.03 -0.62 0.00 0.00 178.44 178.14 1p6r h ARG 50 N 0.26 0.37 0.00 1.25 3.08 -1.40 0.22 114.38 118.16 1p6r h ARG 50 Ca 0.62 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.58 1p6r h ARG 50 Cb 1.30 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1p6r h ARG 50 CO -0.63 0.25 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.15 1p6r h LEU 51 N 0.38 0.00 0.01 3.04 3.38 -0.65 0.87 115.31 122.33 1p6r h LEU 51 Ca 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1p6r h LEU 51 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1p6r h LEU 51 CO -0.54 0.29 -0.00 0.40 0.09 0.00 0.00 178.44 178.68 1p6r h ILE 52 N 0.00 1.56 -0.71 1.22 2.04 -0.57 0.22 117.51 121.27 1p6r h ILE 52 Ca -0.00 -1.76 0.09 0.00 1.00 0.00 0.00 64.86 64.19 1p6r h ILE 52 Cb 0.64 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 1p6r h ILE 52 CO 0.04 0.45 0.36 0.50 0.00 0.00 0.00 178.15 179.50 1p6r h LYS 53 N -0.77 0.60 0.00 2.37 3.64 -0.70 0.57 116.57 122.27 1p6r h LYS 53 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p6r h LYS 53 Cb 0.75 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1p6r h LYS 53 CO 0.00 0.39 0.00 1.63 -2.27 0.00 0.00 179.45 179.21 1p6r n LYS 54 N -4.85 0.21 -1.69 1.90 5.02 0.27 -4.89 118.16 114.13 1p6r n LYS 54 Ca 0.11 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1p6r n LYS 54 Cb 0.26 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.38 0.94 0.14 0.72 0.00 0.19 -4.89 105.19 102.68 1p6r n GLY 55 Ca 0.08 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 0.22 -0.04 -3.17 4.61 0.00 -0.83 -3.44 119.26 116.62 1p6r h ALA 56 Ca -0.31 -0.95 -0.67 0.00 0.00 0.00 0.00 54.91 52.99 1p6r h ALA 56 Cb 1.04 0.24 -0.31 0.00 0.00 0.00 0.00 17.79 18.76 1p6r h ALA 56 CO 0.43 0.82 -0.81 -0.51 0.00 0.00 0.00 179.25 179.18 1p6r s LEU 57 N -7.45 2.42 -0.17 0.00 1.02 -0.59 -0.37 118.68 113.54 1p6r s LEU 57 Ca -0.10 -0.50 -0.18 0.00 0.02 0.00 0.00 54.13 53.37 1p6r s LEU 57 Cb 0.05 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.67 1p6r s LEU 57 CO 0.92 0.07 0.51 0.21 0.02 0.00 0.00 176.35 178.07 1p6r s ASN 58 N 0.90 6.60 0.20 2.29 3.84 0.33 -4.11 114.94 125.00 1p6r s ASN 58 Ca -0.04 0.72 -0.05 0.00 0.21 0.00 0.00 52.86 53.71 1p6r s ASN 58 Cb -0.15 -2.29 -0.05 0.00 -0.55 0.00 0.00 41.25 38.20 1p6r s ASN 58 CO -0.02 -0.13 0.44 -1.38 -2.79 0.00 0.00 177.10 173.23 1p6r s HIS 59 N 1.33 3.47 0.02 0.43 -3.43 -1.26 -0.40 115.29 115.45 1p6r s HIS 59 Ca 0.25 0.58 0.03 0.00 -0.80 0.00 0.00 55.06 55.12 1p6r s HIS 59 Cb -0.15 -2.03 -0.02 0.00 -1.43 0.00 0.00 32.58 28.95 1p6r s HIS 59 CO 0.10 0.34 -0.09 -1.58 -2.00 0.00 0.00 174.74 171.50 1p6r s HIS 60 N -1.82 0.83 -0.56 0.38 5.04 0.32 -4.97 115.29 114.51 1p6r s HIS 60 Ca 0.42 -0.30 -0.22 0.00 -1.54 0.00 0.00 55.06 53.42 1p6r s HIS 60 Cb -0.11 -0.50 0.05 0.00 0.04 0.00 0.00 32.58 32.05 1p6r s HIS 60 CO 0.26 -0.02 0.85 0.15 -2.34 0.00 0.00 174.74 173.65 1p6r s LYS 61 N -0.87 3.23 -1.26 2.88 1.02 -1.26 -0.20 119.74 123.28 1p6r s LYS 61 Ca -0.01 -0.55 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1p6r s LYS 61 Cb -0.06 -4.10 0.14 0.00 -0.52 0.00 0.00 37.83 33.29 1p6r s LYS 61 CO 0.00 -1.47 1.64 -1.91 -0.92 0.00 0.00 175.35 172.70 1p6r n GLU 62 N 7.13 3.35 0.00 1.68 2.13 0.13 -4.85 120.64 130.21 1p6r n GLU 62 Ca -0.02 -3.58 0.00 0.00 0.66 0.00 0.00 57.16 54.22 1p6r n GLU 62 Cb 0.46 -3.13 0.00 0.00 0.27 0.00 0.00 31.44 29.05 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 4.10 0.28 0.09 8.31 0.00 -1.26 -1.61 105.19 115.10 1p6r n GLY 63 Ca 0.41 0.75 -0.11 0.00 0.00 0.00 0.00 46.02 47.06 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 0.91 -3.39 1.61 5.12 -1.26 -5.01 116.66 114.65 1p6r n ARG 64 Ca 0.00 0.06 -0.20 0.00 -1.93 0.00 0.00 57.85 55.77 1p6r n ARG 64 Cb 0.00 -1.42 -0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 -2.41 2.50 -0.02 1.55 -7.23 -0.63 -5.12 120.40 109.03 1p6r s VAL 65 Ca -0.19 -1.22 0.06 0.00 -1.81 0.00 0.00 61.98 58.83 1p6r s VAL 65 Cb 0.06 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1p6r s VAL 65 CO 0.57 0.00 -0.21 0.72 -0.31 0.00 0.00 175.10 175.87 1p6r s PHE 66 N -2.52 1.89 -0.13 2.82 -0.71 -1.26 0.22 117.98 118.28 1p6r s PHE 66 Ca 0.50 -0.36 -0.07 0.00 -1.04 0.00 0.00 56.93 55.96 1p6r s PHE 66 Cb -0.05 -1.22 -0.04 0.00 -1.21 0.00 0.00 43.02 40.50 1p6r s PHE 66 CO 0.30 -0.04 0.12 0.08 -1.34 0.00 0.00 175.22 174.34 1p6r s VAL 67 N -0.47 5.33 -0.24 -2.49 1.01 0.72 -0.87 120.40 123.39 1p6r s VAL 67 Ca 0.08 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1p6r s VAL 67 Cb -0.08 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1p6r s VAL 67 CO -0.01 0.59 0.05 -0.31 0.00 0.00 0.00 175.10 175.43 1p6r s TYR 68 N -0.82 3.07 -0.30 5.22 2.02 -0.55 -0.52 117.35 125.46 1p6r s TYR 68 Ca 0.14 -0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1p6r s TYR 68 Cb -0.12 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1p6r s TYR 68 CO 0.03 -0.34 0.12 0.95 -1.57 0.00 0.00 175.55 174.73 1p6r s THR 69 N 1.47 4.29 0.02 -0.71 -4.23 0.47 -3.63 115.64 113.31 1p6r s THR 69 Ca 0.06 -0.55 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 1p6r s THR 69 Cb -0.15 -3.20 -0.11 0.00 1.34 0.00 0.00 72.50 70.39 1p6r s THR 69 CO 0.02 0.08 1.89 -2.65 -0.54 0.00 0.00 174.62 173.42 1p6r n PRO 70 N 4.93 2.56 0.06 3.99 -0.02 -1.26 -0.51 135.00 144.75 1p6r n PRO 70 Ca -0.14 0.94 -0.16 0.00 -2.02 0.00 0.00 63.50 62.11 1p6r n PRO 70 Cb 0.49 -2.83 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 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 9.37 0.69 -2.78 2.55 -1.24 -1.01 -3.46 115.58 119.70 1p6r h ASN 71 Ca -0.48 -0.56 -0.60 0.00 0.71 0.00 0.00 56.30 55.37 1p6r h ASN 71 Cb 1.25 -0.21 -0.11 0.00 0.73 0.00 0.00 38.32 39.98 1p6r h ASN 71 CO 0.94 1.36 -0.66 0.27 -1.29 0.00 0.00 177.43 178.06 1p6r s ILE 72 N -3.27 3.68 0.30 2.57 -0.00 -1.23 -5.07 121.20 118.18 1p6r s ILE 72 Ca -0.07 -1.50 0.03 0.00 -0.00 0.00 0.00 60.65 59.11 1p6r s ILE 72 Cb 0.08 -2.87 -0.03 0.00 -0.00 0.00 0.00 42.46 39.64 1p6r s ILE 72 CO 0.89 -0.15 0.46 -0.62 -0.00 0.00 0.00 174.94 175.52 1p6r s ASP 73 N -3.05 6.30 0.25 4.36 2.15 -1.26 -4.99 116.67 120.43 1p6r s ASP 73 Ca 0.28 0.26 -0.11 0.00 0.43 0.00 0.00 52.55 53.41 1p6r s ASP 73 Cb -0.09 -1.94 0.36 0.00 -0.30 0.00 0.00 42.92 40.95 1p6r s ASP 73 CO 0.19 -0.19 1.58 -0.33 -0.17 0.00 0.00 175.17 176.24 1p6r h GLU 74 N 0.95 -0.01 -1.00 4.34 5.08 -2.00 0.23 114.58 122.17 1p6r h GLU 74 Ca -0.51 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.04 1p6r h GLU 74 Cb 1.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1p6r h GLU 74 CO 0.61 -0.01 0.62 0.77 -1.00 0.00 0.00 179.01 180.00 1p6r h SER 75 N -0.01 0.77 -0.74 1.42 0.02 -2.00 -0.77 113.55 112.24 1p6r h SER 75 Ca 0.40 0.09 -0.42 0.00 -0.84 0.00 0.00 61.79 61.02 1p6r h SER 75 Cb 0.64 -0.05 -0.23 0.00 0.14 0.00 0.00 62.40 62.90 1p6r h SER 75 CO -0.91 0.29 0.54 -0.67 -1.14 0.00 0.00 176.83 174.95 1p6r n ASP 76 N -4.73 4.64 0.00 3.07 2.03 0.81 -4.47 116.55 117.91 1p6r n ASP 76 Ca 0.23 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1p6r n ASP 76 Cb 0.56 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.60 0.00 -3.88 -0.67 9.36 -0.30 -4.58 117.16 116.49 1p6r n TYR 77 Ca 0.45 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.37 1p6r n TYR 77 Cb 1.15 -0.09 -0.14 0.00 -0.63 0.00 0.00 39.34 39.62 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 -1.12 2.01 -0.02 2.97 1.01 -1.26 -4.26 121.20 120.53 1p6r s ILE 78 Ca 0.00 -2.67 0.08 0.00 0.00 0.00 0.00 60.65 58.06 1p6r s ILE 78 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1p6r s ILE 78 CO 0.00 -0.76 -0.25 -0.70 0.00 0.00 0.00 174.94 173.23 1p6r s GLU 79 N 0.39 2.06 -0.12 2.79 2.12 -1.26 -5.13 118.70 119.54 1p6r s GLU 79 Ca 0.15 -0.91 -0.06 0.00 0.36 0.00 0.00 54.97 54.51 1p6r s GLU 79 Cb -0.23 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 1p6r s GLU 79 CO -0.05 0.54 0.11 0.54 -0.54 0.00 0.00 175.26 175.87 1p6r s VAL 80 N -0.59 5.25 0.01 3.70 0.11 -1.26 -4.93 120.40 122.69 1p6r s VAL 80 Ca 0.10 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1p6r s VAL 80 Cb -0.10 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1p6r s VAL 80 CO -0.01 0.60 0.00 1.17 -3.33 0.00 0.00 175.10 173.53 1p6r n LYS 81 N 2.21 0.00 0.00 1.54 4.81 -1.26 -5.21 118.16 120.25 1p6r n LYS 81 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1p6r n LYS 81 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00