#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 2.30 0.15 0.03 5.02 -1.26 -2.49 118.16 121.90 1p6r n LYS 2 Ca 0.00 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1p6r n LYS 2 Cb 0.00 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.11 1p6r n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1p6r n LYS 3 N 5.66 0.00 -2.38 1.97 4.76 -1.26 -5.10 118.16 121.81 1p6r n LYS 3 Ca 0.53 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.67 1p6r n LYS 3 Cb 0.32 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.49 1p6r n LYS 3 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1p6r s ILE 4 N -2.00 4.72 -0.16 -0.18 -5.25 -1.04 -4.99 121.20 112.30 1p6r s ILE 4 Ca 0.00 0.78 -0.29 0.00 -0.99 0.00 0.00 60.65 60.15 1p6r s ILE 4 Cb 0.00 -3.80 -0.04 0.00 2.95 0.00 0.00 42.46 41.57 1p6r s ILE 4 CO 0.00 -0.83 1.76 -2.84 -1.79 0.00 0.00 174.94 171.24 1p6r s PRO 5 N -4.50 3.80 -1.58 0.37 0.02 -1.26 -4.65 135.00 127.19 1p6r s PRO 5 Ca 0.54 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 1p6r s PRO 5 Cb -0.10 -4.10 -0.05 0.00 0.02 0.00 0.00 34.50 30.27 1p6r s PRO 5 CO 0.41 -1.31 2.76 1.04 -0.33 0.00 0.00 177.00 179.57 1p6r n GLN 6 N 7.74 3.48 -3.00 5.54 6.02 -1.26 -4.81 117.38 131.09 1p6r n GLN 6 Ca 0.20 -2.32 -0.40 0.00 -0.01 0.00 0.00 57.00 54.47 1p6r n GLN 6 Cb 0.44 -2.93 -0.05 0.00 1.02 0.00 0.00 30.24 28.72 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1p6r s ILE 7 N 2.42 4.98 0.75 5.09 1.01 -1.26 -5.07 121.20 129.12 1p6r s ILE 7 Ca 0.63 1.46 -0.11 0.00 0.00 0.00 0.00 60.65 62.64 1p6r s ILE 7 Cb 0.17 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.63 1p6r s ILE 7 CO -0.07 0.14 1.12 -0.44 0.00 0.00 0.00 174.94 175.70 1p6r s SER 8 N 1.01 5.01 0.16 3.58 0.01 -1.26 -4.81 113.70 117.40 1p6r s SER 8 Ca 0.36 0.93 -0.18 0.00 1.31 0.00 0.00 55.95 58.37 1p6r s SER 8 Cb -0.17 -1.60 0.06 0.00 0.21 0.00 0.00 66.02 64.53 1p6r s SER 8 CO 0.15 -1.59 1.67 -0.78 0.41 0.00 0.00 173.24 173.10 1p6r h ASP 9 N -0.81 -0.35 -0.02 2.44 3.58 -1.98 0.15 116.42 119.42 1p6r h ASP 9 Ca -0.45 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.14 1p6r h ASP 9 Cb 1.29 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 42.52 1p6r h ASP 9 CO 0.64 -0.13 -0.22 0.00 -2.88 0.00 0.00 179.24 176.66 1p6r h ALA 10 N 1.32 -0.27 -0.68 -0.78 0.00 -2.00 0.36 119.26 117.21 1p6r h ALA 10 Ca 0.17 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1p6r h ALA 10 Cb 0.27 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1p6r h ALA 10 CO -0.36 -0.71 0.33 0.93 0.00 0.00 0.00 179.25 179.44 1p6r h GLU 11 N -0.34 0.57 -0.92 0.00 5.08 -1.81 -1.74 114.58 115.42 1p6r h GLU 11 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1p6r h GLU 11 Cb 0.43 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1p6r h GLU 11 CO -0.22 0.38 0.55 1.25 -1.00 0.00 0.00 179.01 179.97 1p6r h LEU 12 N 0.58 1.10 -0.01 1.33 5.85 0.23 0.37 115.31 124.77 1p6r h LEU 12 Ca 0.33 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1p6r h LEU 12 Cb 0.32 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1p6r h LEU 12 CO -0.25 0.85 -0.28 1.05 -0.34 0.00 0.00 178.44 179.46 1p6r h GLU 13 N 1.26 -0.41 -0.47 1.25 -0.00 -0.04 0.33 114.58 116.51 1p6r h GLU 13 Ca 0.33 0.03 -0.06 0.00 -0.00 0.00 0.00 59.36 59.65 1p6r h GLU 13 Cb -0.05 0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 28.77 1p6r h GLU 13 CO -0.06 -0.27 0.04 -0.39 -0.00 0.00 0.00 179.01 178.33 1p6r h VAL 14 N -0.42 1.26 -0.38 -1.06 -1.51 -1.22 -1.49 116.25 111.42 1p6r h VAL 14 Ca 0.06 -0.98 0.08 0.00 -1.23 0.00 0.00 66.70 64.63 1p6r h VAL 14 Cb 0.51 0.98 -0.08 0.00 -2.13 0.00 0.00 31.29 30.57 1p6r h VAL 14 CO -0.25 0.34 -0.13 0.24 -1.23 0.00 0.00 177.57 176.54 1p6r h MET 15 N 0.66 -0.05 -0.54 5.19 2.86 -0.51 0.15 114.93 122.69 1p6r h MET 15 Ca 0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1p6r h MET 15 Cb 0.44 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1p6r h MET 15 CO 0.02 -0.03 0.32 -0.22 1.06 0.00 0.00 176.91 178.06 1p6r h LYS 16 N -0.05 0.62 -0.55 1.72 3.64 -0.59 0.16 116.57 121.51 1p6r h LYS 16 Ca 0.19 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1p6r h LYS 16 Cb 0.34 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1p6r h LYS 16 CO -0.42 0.41 0.27 0.28 -2.27 0.00 0.00 179.45 177.73 1p6r h VAL 17 N 0.64 0.93 0.25 2.00 2.07 -0.13 0.26 116.25 122.26 1p6r h VAL 17 Ca 0.22 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1p6r h VAL 17 Cb 0.03 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1p6r h VAL 17 CO -0.10 0.09 -0.12 0.40 0.02 0.00 0.00 177.57 177.87 1p6r h ILE 18 N 0.52 0.78 -0.41 4.57 2.04 0.05 -2.84 117.51 122.22 1p6r h ILE 18 Ca 0.25 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1p6r h ILE 18 Cb 0.18 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1p6r h ILE 18 CO -0.19 0.04 0.30 -0.50 0.00 0.00 0.00 178.15 177.81 1p6r h TRP 19 N -0.43 0.00 -0.11 1.37 6.55 -0.33 0.11 115.95 123.11 1p6r h TRP 19 Ca -0.03 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.71 1p6r h TRP 19 Cb 0.33 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 1p6r h TRP 19 CO -0.03 0.00 -0.36 -0.22 -1.05 0.00 0.00 178.44 176.77 1p6r h LYS 20 N 0.00 0.23 -7.26 0.49 1.63 -0.26 -3.44 116.57 107.96 1p6r h LYS 20 Ca 0.19 -0.10 -0.47 0.00 -0.85 0.00 0.00 60.65 59.43 1p6r h LYS 20 Cb 0.79 -0.01 0.10 0.00 -0.60 0.00 0.00 32.23 32.52 1p6r h LYS 20 CO -0.00 0.57 0.17 -1.58 -3.45 0.00 0.00 179.45 175.16 1p6r s HIS 21 N -4.24 1.29 -0.05 1.91 2.46 0.40 -5.05 115.29 112.00 1p6r s HIS 21 Ca -0.05 -0.27 -0.08 0.00 0.47 0.00 0.00 55.06 55.13 1p6r s HIS 21 Cb 0.14 -3.20 -0.05 0.00 -0.13 0.00 0.00 32.58 29.34 1p6r s HIS 21 CO 0.76 -2.02 0.37 0.66 -2.47 0.00 0.00 174.74 172.05 1p6r h SER 22 N -0.80 -0.25 -0.27 9.88 4.64 -1.86 -3.48 113.55 121.40 1p6r h SER 22 Ca -0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1p6r h SER 22 Cb 1.25 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1p6r h SER 22 CO 0.36 0.15 0.00 -1.20 -0.87 0.00 0.00 176.83 175.27 1p6r n SER 23 N -4.66 0.54 -3.73 4.97 7.64 -1.26 -4.90 113.62 112.24 1p6r n SER 23 Ca -0.04 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.71 1p6r n SER 23 Cb 0.12 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.20 0.00 0.45 0.44 2.07 -1.18 -4.98 121.20 118.19 1p6r s ILE 24 Ca 0.00 -0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.10 1p6r s ILE 24 Cb 0.00 -0.60 -0.07 0.00 0.13 0.00 0.00 42.46 41.91 1p6r s ILE 24 CO 0.00 -0.00 0.86 0.54 -1.91 0.00 0.00 174.94 174.43 1p6r s ASN 25 N 0.22 6.58 0.33 4.50 2.20 -1.26 -1.28 114.94 126.23 1p6r s ASN 25 Ca -0.00 1.33 0.03 0.00 -0.94 0.00 0.00 52.86 53.28 1p6r s ASN 25 Cb -0.03 -2.41 0.62 0.00 -2.00 0.00 0.00 41.25 37.43 1p6r s ASN 25 CO 0.01 -0.47 1.93 0.74 -2.94 0.00 0.00 177.10 176.37 1p6r h THR 26 N 1.06 1.05 0.07 0.54 2.02 -1.18 1.00 112.91 117.47 1p6r h THR 26 Ca -0.47 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1p6r h THR 26 Cb 1.19 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1p6r h THR 26 CO 0.63 0.17 -0.07 -1.13 0.37 0.00 0.00 175.52 175.49 1p6r h ASN 27 N 0.91 -0.17 -0.71 4.18 -0.00 -1.94 0.86 115.58 118.70 1p6r h ASN 27 Ca 0.36 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.66 1p6r h ASN 27 Cb 0.23 0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 38.57 1p6r h ASN 27 CO -0.13 -0.10 0.41 -0.33 -0.00 0.00 0.00 177.43 177.28 1p6r h GLU 28 N -0.15 0.98 0.58 6.67 5.08 -1.76 -0.30 114.58 125.68 1p6r h GLU 28 Ca 0.00 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1p6r h GLU 28 Cb 0.14 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1p6r h GLU 28 CO -0.02 0.72 -0.28 -0.24 -1.00 0.00 0.00 179.01 178.19 1p6r h VAL 29 N 0.98 0.42 -0.38 3.13 3.04 -0.41 0.67 116.25 123.71 1p6r h VAL 29 Ca 0.25 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.98 1p6r h VAL 29 Cb 0.01 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 29.67 1p6r h VAL 29 CO -0.04 0.00 0.15 0.40 -1.01 0.00 0.00 177.57 177.07 1p6r h ILE 30 N -0.79 0.92 0.63 3.17 2.04 -0.75 0.10 117.51 122.84 1p6r h ILE 30 Ca -0.08 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1p6r h ILE 30 Cb 0.60 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1p6r h ILE 30 CO 0.13 0.06 -0.47 0.50 0.00 0.00 0.00 178.15 178.36 1p6r h LYS 31 N 0.32 -1.02 -0.06 2.37 1.63 -0.89 0.11 116.57 119.03 1p6r h LYS 31 Ca 0.17 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1p6r h LYS 31 Cb 0.12 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1p6r h LYS 31 CO -0.15 -0.68 -0.03 1.49 -3.45 0.00 0.00 179.45 176.63 1p6r h GLU 32 N -1.06 -0.02 0.45 1.90 4.57 -0.69 -0.75 114.58 118.97 1p6r h GLU 32 Ca -0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1p6r h GLU 32 Cb 0.88 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1p6r h GLU 32 CO 0.03 -0.02 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.44 1p6r h LEU 33 N -0.02 -0.85 -0.88 1.64 4.07 -0.78 -0.96 115.31 117.52 1p6r h LEU 33 Ca 0.03 0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1p6r h LEU 33 Cb 0.08 0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1p6r h LEU 33 CO -0.08 -0.49 0.52 0.77 -1.08 0.00 0.00 178.44 178.08 1p6r h SER 34 N -0.76 0.73 -0.16 -0.43 4.64 -0.56 0.48 113.55 117.49 1p6r h SER 34 Ca -0.04 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1p6r h SER 34 Cb 0.65 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1p6r h SER 34 CO 0.01 0.39 0.05 0.11 -0.87 0.00 0.00 176.83 176.53 1p6r h LYS 35 N 0.83 0.24 0.24 4.77 1.79 -0.91 -3.24 116.57 120.29 1p6r h LYS 35 Ca 0.44 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1p6r h LYS 35 Cb 0.44 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1p6r h LYS 35 CO -0.27 0.35 -0.11 1.79 -1.08 0.00 0.00 179.45 180.13 1p6r h THR 36 N 0.08 0.00 -3.44 -0.16 1.35 -0.46 -3.42 112.91 106.86 1p6r h THR 36 Ca 0.05 -0.50 -0.72 0.00 -0.55 0.00 0.00 66.41 64.68 1p6r h THR 36 Cb 0.21 0.00 -0.24 0.00 -1.73 0.00 0.00 68.15 66.39 1p6r h THR 36 CO -0.00 0.00 -0.42 -0.44 -0.25 0.00 0.00 175.52 174.40 1p6r s SER 37 N -4.44 5.91 -1.09 5.36 0.01 0.16 -5.02 113.70 114.59 1p6r s SER 37 Ca -0.05 -1.23 -0.25 0.00 1.31 0.00 0.00 55.95 55.74 1p6r s SER 37 Cb 0.00 -2.09 -0.15 0.00 0.21 0.00 0.00 66.02 64.00 1p6r s SER 37 CO 0.14 -0.53 2.04 0.42 0.41 0.00 0.00 173.24 175.73 1p6r s THR 38 N 1.57 3.29 0.11 1.44 -4.23 -1.22 -3.74 115.64 112.86 1p6r s THR 38 Ca 0.03 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 1p6r s THR 38 Cb -0.22 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 1p6r s THR 38 CO 0.06 -0.53 -0.18 0.26 -0.54 0.00 0.00 174.62 173.68 1p6r s TRP 39 N 13.74 1.66 0.77 3.99 0.51 -1.26 -5.08 118.94 133.26 1p6r s TRP 39 Ca 0.76 -0.45 -0.11 0.00 -2.12 0.00 0.00 56.10 54.17 1p6r s TRP 39 Cb -0.04 -0.89 0.05 0.00 -0.81 0.00 0.00 33.47 31.78 1p6r s TRP 39 CO 0.14 0.20 1.08 -1.54 -0.51 0.00 0.00 176.95 176.32 1p6r s SER 40 N -2.11 4.71 0.29 2.95 1.04 -1.26 -4.59 113.70 114.72 1p6r s SER 40 Ca 0.07 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.04 1p6r s SER 40 Cb -0.08 -2.29 0.59 0.00 0.10 0.00 0.00 66.02 64.33 1p6r s SER 40 CO 0.04 -1.86 1.83 -0.65 0.98 0.00 0.00 173.24 173.58 1p6r h PRO 41 N -1.01 0.93 0.08 4.02 0.11 -1.98 0.75 132.00 134.90 1p6r h PRO 41 Ca -0.46 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p6r h PRO 41 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1p6r h PRO 41 CO 0.57 0.62 -0.04 0.87 -0.21 0.00 0.00 178.00 179.81 1p6r h LYS 42 N 0.96 -0.10 -0.67 1.05 1.57 -1.99 0.12 116.57 117.51 1p6r h LYS 42 Ca 0.51 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.42 1p6r h LYS 42 Cb 0.56 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 1p6r h LYS 42 CO -0.29 0.16 0.23 1.15 -0.57 0.00 0.00 179.45 180.13 1p6r h THR 43 N -0.36 0.68 0.78 -0.16 2.02 -1.76 -0.66 112.91 113.45 1p6r h THR 43 Ca -0.01 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1p6r h THR 43 Cb 0.31 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1p6r h THR 43 CO 0.02 0.07 -0.37 0.40 0.37 0.00 0.00 175.52 176.00 1p6r h ILE 44 N 0.38 0.16 -0.92 3.11 2.04 -0.67 -3.10 117.51 118.50 1p6r h ILE 44 Ca 0.36 -0.13 0.26 0.00 1.00 0.00 0.00 64.86 66.34 1p6r h ILE 44 Cb 0.51 0.18 -0.14 0.00 -0.74 0.00 0.00 36.82 36.63 1p6r h ILE 44 CO -0.38 0.01 0.37 1.56 0.00 0.00 0.00 178.15 179.71 1p6r h GLN 45 N -1.15 0.28 -1.00 2.37 4.20 -0.29 0.30 115.11 119.82 1p6r h GLN 45 Ca -0.11 -0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.75 1p6r h GLN 45 Cb 0.82 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.44 1p6r h GLN 45 CO 0.18 0.19 0.62 1.15 -0.67 0.00 0.00 178.83 180.29 1p6r h THR 46 N 0.29 0.79 0.11 -0.54 2.02 -1.05 -0.01 112.91 114.52 1p6r h THR 46 Ca 0.61 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 1p6r h THR 46 Cb 1.26 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1p6r h THR 46 CO -0.61 0.15 -0.05 0.24 0.37 0.00 0.00 175.52 175.62 1p6r h MET 47 N 0.84 -0.14 -0.20 6.66 2.86 -0.40 0.65 114.93 125.20 1p6r h MET 47 Ca 0.54 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.24 1p6r h MET 47 Cb 0.75 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1p6r h MET 47 CO -0.33 0.15 -0.13 -0.07 1.06 0.00 0.00 176.91 177.59 1p6r h LEU 48 N -0.43 -0.41 -0.25 1.22 -0.00 -1.33 -0.17 115.31 113.94 1p6r h LEU 48 Ca -0.02 0.09 0.06 0.00 -0.00 0.00 0.00 57.88 58.02 1p6r h LEU 48 Cb 0.36 0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 41.16 1p6r h LEU 48 CO 0.02 -0.16 -0.26 0.25 -0.00 0.00 0.00 178.44 178.29 1p6r h LEU 49 N -0.12 -0.84 0.09 1.67 6.46 -0.93 0.96 115.31 122.60 1p6r h LEU 49 Ca 0.11 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1p6r h LEU 49 Cb 0.29 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 1p6r h LEU 49 CO -0.27 -0.30 -0.25 0.03 -0.62 0.00 0.00 178.44 177.03 1p6r h ARG 50 N -0.27 -0.43 -0.25 1.25 2.47 -0.37 -0.10 114.38 116.68 1p6r h ARG 50 Ca 0.14 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.93 1p6r h ARG 50 Cb 0.48 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.86 1p6r h ARG 50 CO -0.40 -0.29 -0.01 -0.07 0.56 0.00 0.00 179.97 179.76 1p6r h LEU 51 N -0.45 -0.12 -0.11 3.04 3.38 -0.65 0.12 115.31 120.53 1p6r h LEU 51 Ca 0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1p6r h LEU 51 Cb 0.48 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1p6r h LEU 51 CO -0.16 -0.03 -0.15 0.40 0.09 0.00 0.00 178.44 178.59 1p6r h ILE 52 N 0.07 0.60 -0.72 1.22 2.04 -0.52 0.15 117.51 120.34 1p6r h ILE 52 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1p6r h ILE 52 Cb 0.16 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1p6r h ILE 52 CO -0.21 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.52 1p6r h LYS 53 N -0.20 0.80 0.00 2.37 1.57 -0.47 0.95 116.57 121.59 1p6r h LYS 53 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1p6r h LYS 53 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1p6r h LYS 53 CO -0.23 0.53 0.00 1.63 -0.57 0.00 0.00 179.45 180.81 1p6r n LYS 54 N -4.47 0.92 -1.51 3.15 5.02 0.38 -4.87 118.16 116.79 1p6r n LYS 54 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1p6r n LYS 54 Cb 0.17 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.45 1.13 0.07 0.72 0.00 0.33 -4.91 105.19 102.98 1p6r n GLY 55 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 0.09 0.35 -2.39 4.61 0.00 -0.91 -3.44 119.26 117.58 1p6r h ALA 56 Ca -0.27 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.57 1p6r h ALA 56 Cb 0.89 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 1p6r h ALA 56 CO 0.38 1.19 -0.69 -0.51 0.00 0.00 0.00 179.25 179.62 1p6r s LEU 57 N -6.82 2.46 0.16 0.00 1.02 -1.25 -0.40 118.68 113.84 1p6r s LEU 57 Ca 0.00 -0.92 0.10 0.00 0.02 0.00 0.00 54.13 53.33 1p6r s LEU 57 Cb 0.10 0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 1p6r s LEU 57 CO 0.83 -0.48 -0.21 0.21 0.02 0.00 0.00 176.35 176.71 1p6r s ASN 58 N -2.72 2.93 0.14 2.29 2.47 0.16 -4.61 114.94 115.60 1p6r s ASN 58 Ca 0.05 -0.82 -0.02 0.00 0.42 0.00 0.00 52.86 52.50 1p6r s ASN 58 Cb 0.04 -0.19 -0.05 0.00 -1.45 0.00 0.00 41.25 39.60 1p6r s ASN 58 CO -0.06 0.05 0.34 -2.28 -3.72 0.00 0.00 177.10 171.43 1p6r s HIS 59 N -1.66 3.49 -0.03 0.43 5.65 -1.26 -0.60 115.29 121.30 1p6r s HIS 59 Ca 0.15 0.41 -0.10 0.00 0.25 0.00 0.00 55.06 55.77 1p6r s HIS 59 Cb -0.08 -1.89 0.01 0.00 -1.18 0.00 0.00 32.58 29.45 1p6r s HIS 59 CO 0.07 0.46 0.22 -1.58 -0.65 0.00 0.00 174.74 173.26 1p6r s HIS 60 N -1.69 -0.12 -0.50 3.88 2.46 0.13 -4.87 115.29 114.58 1p6r s HIS 60 Ca 0.39 0.23 -0.12 0.00 0.47 0.00 0.00 55.06 56.03 1p6r s HIS 60 Cb -0.12 0.04 0.12 0.00 -0.13 0.00 0.00 32.58 32.49 1p6r s HIS 60 CO 0.27 -0.26 0.41 0.21 -2.47 0.00 0.00 174.74 172.90 1p6r s LYS 61 N -0.88 2.71 -1.27 2.88 2.47 -1.26 -0.11 119.74 124.28 1p6r s LYS 61 Ca -0.10 -1.73 -0.14 0.00 -1.56 0.00 0.00 55.97 52.44 1p6r s LYS 61 Cb -0.05 -4.09 0.13 0.00 -1.46 0.00 0.00 37.83 32.36 1p6r s LYS 61 CO 0.02 -1.25 1.66 -1.91 0.16 0.00 0.00 175.35 174.03 1p6r n GLU 62 N 5.07 3.33 0.00 4.03 2.13 0.12 -4.82 120.64 130.49 1p6r n GLU 62 Ca -0.11 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.18 1p6r n GLU 62 Cb 0.40 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 28.95 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 4.20 0.04 0.20 8.31 0.00 -1.26 -2.25 105.19 114.43 1p6r n GLY 63 Ca 0.42 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.67 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 0.54 -4.04 1.61 1.74 -1.26 -5.01 116.66 110.23 1p6r n ARG 64 Ca 0.00 0.20 -0.28 0.00 -0.77 0.00 0.00 57.85 57.01 1p6r n ARG 64 Cb 0.00 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1p6r s VAL 65 N -2.45 4.71 -0.01 1.55 -7.23 -0.96 -5.11 120.40 110.90 1p6r s VAL 65 Ca -0.34 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1p6r s VAL 65 Cb 0.12 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 1p6r s VAL 65 CO 0.46 -0.03 0.24 0.72 -0.31 0.00 0.00 175.10 176.18 1p6r s PHE 66 N -1.64 3.58 -0.09 2.82 -0.71 -1.26 0.13 117.98 120.81 1p6r s PHE 66 Ca 0.31 0.54 -0.01 0.00 -1.04 0.00 0.00 56.93 56.73 1p6r s PHE 66 Cb -0.11 -1.96 -0.03 0.00 -1.21 0.00 0.00 43.02 39.70 1p6r s PHE 66 CO 0.24 0.63 -0.01 0.08 -1.34 0.00 0.00 175.22 174.82 1p6r s VAL 67 N -1.27 4.20 -0.27 -2.49 1.01 0.84 -0.55 120.40 121.87 1p6r s VAL 67 Ca 0.26 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1p6r s VAL 67 Cb -0.13 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1p6r s VAL 67 CO 0.15 0.60 0.24 -0.31 0.00 0.00 0.00 175.10 175.78 1p6r s TYR 68 N -0.83 3.23 -0.29 5.22 2.02 -0.40 -0.69 117.35 125.61 1p6r s TYR 68 Ca 0.13 0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.94 1p6r s TYR 68 Cb -0.11 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.00 1p6r s TYR 68 CO 0.02 -0.16 0.15 0.95 -1.57 0.00 0.00 175.55 174.94 1p6r s THR 69 N 1.79 4.76 0.29 -0.71 -4.23 0.23 -3.11 115.64 114.65 1p6r s THR 69 Ca 0.09 -0.20 -0.30 0.00 -1.18 0.00 0.00 61.69 60.10 1p6r s THR 69 Cb -0.16 -3.34 -0.11 0.00 1.34 0.00 0.00 72.50 70.23 1p6r s THR 69 CO 0.10 0.17 1.60 -2.84 -0.54 0.00 0.00 174.62 173.11 1p6r s PRO 70 N 1.66 4.13 0.02 3.99 0.02 -1.26 -0.67 135.00 142.88 1p6r s PRO 70 Ca 0.06 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1p6r s PRO 70 Cb -0.16 -3.03 -0.25 0.00 0.02 0.00 0.00 34.50 31.08 1p6r s PRO 70 CO 0.07 -0.63 0.91 -0.91 -0.33 0.00 0.00 177.00 176.11 1p6r h ASN 71 N 4.93 0.24 -2.09 2.53 2.35 -1.02 -3.45 115.58 119.06 1p6r h ASN 71 Ca -0.47 -0.33 -0.55 0.00 -0.55 0.00 0.00 56.30 54.40 1p6r h ASN 71 Cb 1.22 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.42 1p6r h ASN 71 CO 0.80 1.28 -0.61 0.27 -1.65 0.00 0.00 177.43 177.52 1p6r s ILE 72 N -2.63 3.31 0.30 2.81 -4.36 -1.18 -5.01 121.20 114.44 1p6r s ILE 72 Ca -0.06 -1.83 0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1p6r s ILE 72 Cb 0.08 -2.90 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 1p6r s ILE 72 CO 0.84 -0.31 -0.14 -0.62 0.24 0.00 0.00 174.94 174.95 1p6r s ASP 73 N -3.73 3.76 0.23 4.36 2.15 -1.26 -5.03 116.67 117.15 1p6r s ASP 73 Ca 0.33 -1.03 -0.17 0.00 0.43 0.00 0.00 52.55 52.12 1p6r s ASP 73 Cb -0.05 -0.38 0.25 0.00 -0.30 0.00 0.00 42.92 42.44 1p6r s ASP 73 CO 0.21 -0.04 1.55 -0.33 -0.17 0.00 0.00 175.17 176.39 1p6r h GLU 74 N 2.14 -0.01 -0.70 4.34 5.08 -1.97 0.13 114.58 123.59 1p6r h GLU 74 Ca -0.41 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1p6r h GLU 74 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1p6r h GLU 74 CO 0.63 -0.00 0.50 0.77 -1.00 0.00 0.00 179.01 179.91 1p6r h SER 75 N -0.01 0.01 1.45 1.42 0.02 -2.06 0.10 113.55 114.50 1p6r h SER 75 Ca 0.35 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1p6r h SER 75 Cb 0.60 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1p6r h SER 75 CO -0.98 0.01 -0.22 -0.78 -1.14 0.00 0.00 176.83 173.71 1p6r h ASP 76 N 0.01 0.00 0.00 3.07 3.58 -1.14 -3.38 116.42 118.56 1p6r h ASP 76 Ca 0.33 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 57.15 1p6r h ASP 76 Cb 1.32 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.38 1p6r h ASP 76 CO -0.01 0.22 3.02 0.00 -2.88 0.00 0.00 179.24 179.59 1p6r n TYR 77 N -3.22 2.54 -2.76 0.28 9.36 0.36 -4.54 117.16 119.18 1p6r n TYR 77 Ca 0.02 -2.56 -0.42 0.00 3.32 0.00 0.00 57.90 58.25 1p6r n TYR 77 Cb 0.55 -2.20 -0.03 0.00 -0.63 0.00 0.00 39.34 37.03 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 3.44 4.25 -0.72 2.97 1.01 -1.26 -4.97 121.20 125.92 1p6r s ILE 78 Ca 0.53 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 1p6r s ILE 78 Cb 0.14 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.78 1p6r s ILE 78 CO -0.02 -1.64 1.62 -1.83 0.00 0.00 0.00 174.94 173.06 1p6r s GLU 79 N 4.16 2.90 0.45 2.79 4.04 -1.26 -4.78 118.70 127.00 1p6r s GLU 79 Ca 0.32 0.08 -0.21 0.00 0.04 0.00 0.00 54.97 55.20 1p6r s GLU 79 Cb -0.08 -4.44 -0.09 0.00 0.02 0.00 0.00 34.13 29.53 1p6r s GLU 79 CO 0.01 -2.53 1.01 0.08 -1.84 0.00 0.00 175.26 171.98 1p6r s VAL 80 N 7.61 4.00 -0.99 1.83 1.01 -1.26 -4.92 120.40 127.68 1p6r s VAL 80 Ca 0.54 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 1p6r s VAL 80 Cb -0.09 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 1p6r s VAL 80 CO 0.14 -0.22 1.92 1.17 0.00 0.00 0.00 175.10 178.12 1p6r n LYS 81 N -0.68 1.59 0.00 2.72 4.81 -1.26 -4.60 118.16 120.74 1p6r n LYS 81 Ca 0.08 -2.20 0.00 0.00 -0.87 0.00 0.00 58.31 55.32 1p6r n LYS 81 Cb 0.53 -3.34 0.00 0.00 0.02 0.00 0.00 35.03 32.23 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00