#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 2.69 -3.84 0.03 4.81 -1.26 -3.97 118.16 116.63 1p6r n LYS 2 Ca 0.00 0.99 -0.10 0.00 -0.87 0.00 0.00 58.31 58.33 1p6r n LYS 2 Cb 0.00 -2.90 -0.08 0.00 0.02 0.00 0.00 35.03 32.07 1p6r n LYS 2 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1p6r s LYS 3 N 3.88 0.76 -0.26 1.64 2.47 -0.68 -4.97 119.74 122.59 1p6r s LYS 3 Ca 0.88 -0.75 -0.33 0.00 -1.56 0.00 0.00 55.97 54.20 1p6r s LYS 3 Cb -0.51 0.31 -0.10 0.00 -1.46 0.00 0.00 37.83 36.08 1p6r s LYS 3 CO 0.43 -0.23 2.11 -0.89 0.16 0.00 0.00 175.35 176.93 1p6r n ILE 4 N 0.38 0.32 -1.62 5.43 -0.00 -1.26 -4.72 119.36 117.89 1p6r n ILE 4 Ca -0.17 -0.27 -0.45 0.00 -0.00 0.00 0.00 62.75 61.86 1p6r n ILE 4 Cb 0.60 -1.91 -0.04 0.00 -0.00 0.00 0.00 39.64 38.29 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1p6r n PRO 5 N 7.90 2.19 -1.72 0.38 -0.02 -1.26 -4.84 135.00 137.63 1p6r n PRO 5 Ca 0.34 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 62.13 1p6r n PRO 5 Cb 0.29 -2.97 -0.01 0.00 -0.02 0.00 0.00 33.50 30.79 1p6r n PRO 5 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1p6r n GLN 6 N 7.92 3.32 -3.09 -0.52 6.02 -1.26 -4.83 117.38 124.95 1p6r n GLN 6 Ca 0.27 -2.69 -0.41 0.00 -0.01 0.00 0.00 57.00 54.16 1p6r n GLN 6 Cb 0.38 -3.06 -0.06 0.00 1.02 0.00 0.00 30.24 28.52 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 2.20 4.92 0.82 5.09 1.01 -1.26 -5.07 121.20 128.92 1p6r s ILE 7 Ca 0.53 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1p6r s ILE 7 Cb 0.15 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.69 1p6r s ILE 7 CO -0.07 -0.12 1.10 -0.94 0.00 0.00 0.00 174.94 174.91 1p6r s SER 8 N 1.60 4.27 0.22 3.58 1.04 -1.26 -4.73 113.70 118.42 1p6r s SER 8 Ca 0.27 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 57.86 1p6r s SER 8 Cb -0.15 -1.95 0.33 0.00 0.10 0.00 0.00 66.02 64.35 1p6r s SER 8 CO 0.11 -2.11 1.70 -0.78 0.98 0.00 0.00 173.24 173.14 1p6r h ASP 9 N -1.18 -0.02 -0.62 7.02 3.58 -1.98 0.23 116.42 123.45 1p6r h ASP 9 Ca -0.48 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.17 1p6r h ASP 9 Cb 1.28 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.44 1p6r h ASP 9 CO 0.60 -0.01 0.30 0.00 -2.88 0.00 0.00 179.24 177.25 1p6r h ALA 10 N 1.52 0.82 -0.45 -0.78 0.00 -2.01 -0.81 119.26 117.55 1p6r h ALA 10 Ca 0.34 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1p6r h ALA 10 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1p6r h ALA 10 CO -0.44 -0.06 -0.16 0.93 0.00 0.00 0.00 179.25 179.52 1p6r h GLU 11 N 0.55 0.90 -0.98 0.00 5.08 -1.59 -3.06 114.58 115.50 1p6r h GLU 11 Ca 0.29 -0.37 0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1p6r h GLU 11 Cb 0.26 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1p6r h GLU 11 CO -0.22 1.02 0.61 1.25 -1.00 0.00 0.00 179.01 180.68 1p6r h LEU 12 N 0.74 0.81 -0.21 1.33 5.85 0.68 -0.13 115.31 124.38 1p6r h LEU 12 Ca 0.11 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1p6r h LEU 12 Cb 0.72 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1p6r h LEU 12 CO 0.06 0.38 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.16 1p6r h GLU 13 N 0.84 0.01 -0.64 1.25 4.39 -1.09 0.15 114.58 119.49 1p6r h GLU 13 Ca 0.51 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.16 1p6r h GLU 13 Cb 0.69 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1p6r h GLU 13 CO -0.28 0.01 0.21 -0.39 -1.16 0.00 0.00 179.01 177.39 1p6r h VAL 14 N 0.01 1.25 -0.27 3.13 -1.51 -1.14 -0.64 116.25 117.07 1p6r h VAL 14 Ca 0.10 -0.83 0.03 0.00 -1.23 0.00 0.00 66.70 64.77 1p6r h VAL 14 Cb 0.15 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 29.86 1p6r h VAL 14 CO -0.21 0.32 0.08 0.24 -1.23 0.00 0.00 177.57 176.77 1p6r h MET 15 N 0.91 0.19 -0.35 5.19 2.86 -0.74 0.85 114.93 123.84 1p6r h MET 15 Ca 0.21 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1p6r h MET 15 Cb 0.28 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1p6r h MET 15 CO -0.01 0.13 0.07 -0.22 1.06 0.00 0.00 176.91 177.93 1p6r h LYS 16 N 0.19 0.18 -0.23 1.72 1.63 -0.22 0.60 116.57 120.43 1p6r h LYS 16 Ca 0.12 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1p6r h LYS 16 Cb 0.10 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1p6r h LYS 16 CO -0.14 0.12 -0.05 0.28 -3.45 0.00 0.00 179.45 176.21 1p6r h VAL 17 N 0.18 0.78 0.00 2.00 2.07 -0.63 0.23 116.25 120.88 1p6r h VAL 17 Ca 0.16 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1p6r h VAL 17 Cb 0.19 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1p6r h VAL 17 CO -0.22 0.00 0.00 0.40 0.02 0.00 0.00 177.57 177.77 1p6r h ILE 18 N 0.02 0.00 0.04 4.57 2.04 0.18 -1.80 117.51 122.55 1p6r h ILE 18 Ca 0.11 -0.36 -0.27 0.00 1.00 0.00 0.00 64.86 65.34 1p6r h ILE 18 Cb 0.17 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1p6r h ILE 18 CO -0.23 0.00 -1.46 -0.50 0.00 0.00 0.00 178.15 175.96 1p6r h TRP 19 N 0.00 0.14 0.00 1.37 6.55 0.14 -3.35 115.95 120.80 1p6r h TRP 19 Ca 0.00 -0.10 -0.12 0.00 0.95 0.00 0.00 58.89 59.61 1p6r h TRP 19 Cb 0.39 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 1p6r h TRP 19 CO 0.00 1.14 -0.59 -0.22 -1.05 0.00 0.00 178.44 177.72 1p6r h LYS 20 N 0.02 0.00 0.00 0.49 1.63 0.06 -3.47 116.57 115.30 1p6r h LYS 20 Ca -0.20 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.43 1p6r h LYS 20 Cb 1.94 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 33.66 1p6r h LYS 20 CO 0.12 0.59 0.01 -2.39 -3.45 0.00 0.00 179.45 174.33 1p6r n HIS 21 N -3.52 -3.21 -0.08 1.91 1.44 -0.74 -5.05 115.22 105.98 1p6r n HIS 21 Ca -0.00 -0.41 -0.08 0.00 -2.01 0.00 0.00 57.72 55.22 1p6r n HIS 21 Cb 0.66 -0.51 -0.03 0.00 0.12 0.00 0.00 29.99 30.24 1p6r n HIS 21 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1p6r n SER 22 N -3.95 1.73 -0.47 4.39 3.41 -1.26 -5.03 113.62 112.44 1p6r n SER 22 Ca 0.06 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1p6r n SER 22 Cb 0.26 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1p6r n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p6r n SER 23 N -4.28 0.78 -3.59 4.04 7.64 -1.26 -5.00 113.62 111.95 1p6r n SER 23 Ca -0.12 -0.34 -0.16 0.00 1.01 0.00 0.00 58.87 59.27 1p6r n SER 23 Cb 0.44 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.69 0.02 0.32 0.44 2.07 -1.24 -4.99 121.20 117.14 1p6r s ILE 24 Ca 0.00 -0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.12 1p6r s ILE 24 Cb 0.00 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 1p6r s ILE 24 CO 0.00 -0.10 0.36 0.54 -1.91 0.00 0.00 174.94 173.82 1p6r s ASN 25 N -1.46 5.62 0.29 4.50 2.20 -1.26 -0.87 114.94 123.96 1p6r s ASN 25 Ca -0.10 -0.33 0.03 0.00 -0.94 0.00 0.00 52.86 51.52 1p6r s ASN 25 Cb -0.01 -1.15 0.62 0.00 -2.00 0.00 0.00 41.25 38.70 1p6r s ASN 25 CO 0.05 -0.34 1.82 0.74 -2.94 0.00 0.00 177.10 176.43 1p6r h THR 26 N 1.13 0.85 -0.16 0.54 2.02 -1.40 0.15 112.91 116.04 1p6r h THR 26 Ca -0.46 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1p6r h THR 26 Cb 1.25 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1p6r h THR 26 CO 0.57 0.17 0.08 -1.13 0.37 0.00 0.00 175.52 175.57 1p6r h ASN 27 N 0.92 0.21 -0.15 4.18 -0.00 -1.94 0.28 115.58 119.08 1p6r h ASN 27 Ca 0.52 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.30 56.69 1p6r h ASN 27 Cb 0.62 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 1p6r h ASN 27 CO -0.30 0.27 0.06 -0.33 -0.00 0.00 0.00 177.43 177.13 1p6r h GLU 28 N 0.14 0.23 -0.11 6.67 5.08 -1.76 -0.60 114.58 124.22 1p6r h GLU 28 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1p6r h GLU 28 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1p6r h GLU 28 CO -0.01 0.32 0.07 -0.24 -1.00 0.00 0.00 179.01 178.15 1p6r h VAL 29 N 0.08 1.06 -0.23 3.13 3.04 -0.61 0.76 116.25 123.48 1p6r h VAL 29 Ca 0.05 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1p6r h VAL 29 Cb 0.18 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1p6r h VAL 29 CO -0.00 0.05 0.10 0.40 -1.01 0.00 0.00 177.57 177.11 1p6r h ILE 30 N 0.11 1.15 0.08 3.17 2.04 -0.93 -0.27 117.51 122.87 1p6r h ILE 30 Ca 0.04 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1p6r h ILE 30 Cb 0.03 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1p6r h ILE 30 CO -0.01 0.15 -0.37 0.50 0.00 0.00 0.00 178.15 178.42 1p6r h LYS 31 N 0.23 -0.56 0.31 2.37 1.63 -0.86 0.16 116.57 119.84 1p6r h LYS 31 Ca 0.08 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1p6r h LYS 31 Cb 0.14 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 1p6r h LYS 31 CO -0.01 -0.37 -0.52 1.49 -3.45 0.00 0.00 179.45 176.59 1p6r h GLU 32 N -0.58 -0.85 -0.67 1.90 4.57 -0.66 -0.91 114.58 117.38 1p6r h GLU 32 Ca 0.04 0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1p6r h GLU 32 Cb 0.63 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 1p6r h GLU 32 CO -0.24 -0.56 0.20 -0.07 -1.18 0.00 0.00 179.01 177.15 1p6r h LEU 33 N -0.88 0.99 -0.89 1.64 -0.00 -0.97 -0.38 115.31 114.82 1p6r h LEU 33 Ca -0.03 -0.21 0.03 0.00 -0.00 0.00 0.00 57.88 57.66 1p6r h LEU 33 Cb 0.82 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.17 1p6r h LEU 33 CO -0.18 0.94 0.58 0.28 -0.00 0.00 0.00 178.44 180.06 1p6r h SER 34 N 0.98 0.97 -0.17 -0.43 0.02 -0.49 0.31 113.55 114.75 1p6r h SER 34 Ca 0.21 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1p6r h SER 34 Cb 0.32 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1p6r h SER 34 CO -0.00 0.68 -0.13 0.11 -1.14 0.00 0.00 176.83 176.34 1p6r h LYS 35 N 1.14 0.39 0.00 3.45 1.79 -0.80 -3.31 116.57 119.22 1p6r h LYS 35 Ca 0.35 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1p6r h LYS 35 Cb -0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1p6r h LYS 35 CO -0.11 0.74 -0.27 1.79 -1.08 0.00 0.00 179.45 180.52 1p6r h THR 36 N 0.05 0.49 -3.11 -0.16 1.35 -0.72 -3.45 112.91 107.36 1p6r h THR 36 Ca 0.03 -1.55 -0.17 0.00 -0.55 0.00 0.00 66.41 64.17 1p6r h THR 36 Cb 0.65 2.13 -0.26 0.00 -1.73 0.00 0.00 68.15 68.93 1p6r h THR 36 CO 0.03 0.26 -0.44 -0.44 -0.25 0.00 0.00 175.52 174.69 1p6r s SER 37 N -6.29 -0.26 -1.02 5.36 0.01 0.11 -5.07 113.70 106.53 1p6r s SER 37 Ca 0.04 0.51 -0.20 0.00 1.31 0.00 0.00 55.95 57.61 1p6r s SER 37 Cb 0.07 0.49 -0.09 0.00 0.21 0.00 0.00 66.02 66.71 1p6r s SER 37 CO 0.69 -0.10 2.00 0.35 0.41 0.00 0.00 173.24 176.59 1p6r n THR 38 N 3.20 2.38 -5.14 1.44 -2.24 -1.26 -4.04 114.28 108.62 1p6r n THR 38 Ca -0.15 -2.15 -0.29 0.00 -2.27 0.00 0.00 64.05 59.19 1p6r n THR 38 Cb 0.57 -2.39 -0.16 0.00 -2.10 0.00 0.00 70.33 66.26 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 5.06 2.14 0.73 4.78 0.51 -1.26 -5.13 118.94 125.76 1p6r s TRP 39 Ca 0.55 -0.40 -0.11 0.00 -2.12 0.00 0.00 56.10 54.02 1p6r s TRP 39 Cb 0.12 -1.36 0.03 0.00 -0.81 0.00 0.00 33.47 31.45 1p6r s TRP 39 CO 0.06 -0.02 1.08 -1.54 -0.51 0.00 0.00 176.95 176.02 1p6r s SER 40 N -0.64 5.13 0.26 2.95 1.04 -1.26 -4.57 113.70 116.60 1p6r s SER 40 Ca 0.09 1.41 -0.02 0.00 0.48 0.00 0.00 55.95 57.91 1p6r s SER 40 Cb -0.09 -2.24 0.52 0.00 0.10 0.00 0.00 66.02 64.31 1p6r s SER 40 CO -0.01 -1.58 1.72 -0.65 0.98 0.00 0.00 173.24 173.71 1p6r h PRO 41 N -0.81 0.42 -0.55 4.02 0.11 -1.99 -0.13 132.00 133.06 1p6r h PRO 41 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1p6r h PRO 41 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1p6r h PRO 41 CO 0.59 0.28 0.32 -0.22 -0.21 0.00 0.00 178.00 178.75 1p6r h LYS 42 N 0.43 0.77 -0.03 1.05 1.63 -1.98 0.12 116.57 118.55 1p6r h LYS 42 Ca 0.45 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 60.19 1p6r h LYS 42 Cb 0.72 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 1p6r h LYS 42 CO -0.44 0.58 -0.15 1.15 -3.45 0.00 0.00 179.45 177.14 1p6r h THR 43 N 0.75 0.63 -0.49 1.00 2.02 -1.45 0.12 112.91 115.49 1p6r h THR 43 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.39 1p6r h THR 43 Cb 0.02 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1p6r h THR 43 CO -0.03 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.57 1p6r h ILE 44 N -0.23 1.11 -0.74 3.11 2.04 -0.75 -0.26 117.51 121.80 1p6r h ILE 44 Ca 0.06 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1p6r h ILE 44 Cb 0.31 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1p6r h ILE 44 CO -0.17 0.12 0.43 1.56 0.00 0.00 0.00 178.15 180.09 1p6r h GLN 45 N 0.64 0.77 -0.33 2.37 4.20 -0.43 0.07 115.11 122.40 1p6r h GLN 45 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1p6r h GLN 45 Cb -0.05 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1p6r h GLN 45 CO -0.05 0.51 0.18 1.15 -0.67 0.00 0.00 178.83 179.95 1p6r h THR 46 N 0.79 1.13 0.10 -0.54 2.02 0.26 0.12 112.91 116.79 1p6r h THR 46 Ca 0.33 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1p6r h THR 46 Cb 0.18 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1p6r h THR 46 CO -0.18 0.14 -0.14 0.24 0.37 0.00 0.00 175.52 175.95 1p6r h MET 47 N 0.41 -0.28 -0.17 6.66 2.86 -0.50 0.24 114.93 124.15 1p6r h MET 47 Ca 0.12 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1p6r h MET 47 Cb 0.06 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1p6r h MET 47 CO -0.02 -0.18 -0.19 -0.07 1.06 0.00 0.00 176.91 177.51 1p6r h LEU 48 N -0.29 -0.60 -0.36 1.22 3.38 -0.80 -0.77 115.31 117.09 1p6r h LEU 48 Ca 0.02 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1p6r h LEU 48 Cb 0.30 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1p6r h LEU 48 CO -0.07 -0.24 -0.12 0.25 0.09 0.00 0.00 178.44 178.35 1p6r h LEU 49 N -0.22 -0.44 0.47 1.67 6.46 -0.50 0.12 115.31 122.87 1p6r h LEU 49 Ca 0.11 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1p6r h LEU 49 Cb 0.39 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1p6r h LEU 49 CO -0.30 -0.16 -0.46 0.03 -0.62 0.00 0.00 178.44 176.93 1p6r h ARG 50 N -0.05 -0.90 -0.76 1.25 2.47 -0.36 0.04 114.38 116.08 1p6r h ARG 50 Ca 0.18 0.06 0.16 0.00 -1.26 0.00 0.00 59.98 59.12 1p6r h ARG 50 Cb 0.32 0.20 -0.11 0.00 -1.65 0.00 0.00 29.97 28.73 1p6r h ARG 50 CO -0.40 -0.60 0.22 -0.07 0.56 0.00 0.00 179.97 179.69 1p6r h LEU 51 N -0.93 0.10 0.43 3.04 4.07 -0.81 0.11 115.31 121.31 1p6r h LEU 51 Ca -0.05 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1p6r h LEU 51 Cb 0.81 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1p6r h LEU 51 CO -0.06 -0.01 -0.21 0.40 -1.08 0.00 0.00 178.44 177.49 1p6r h ILE 52 N 0.32 0.58 -0.82 1.22 2.04 -0.40 0.18 117.51 120.63 1p6r h ILE 52 Ca 0.43 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.30 1p6r h ILE 52 Cb 0.73 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1p6r h ILE 52 CO -0.49 0.01 0.53 0.11 0.00 0.00 0.00 178.15 178.32 1p6r h LYS 53 N -0.62 0.82 0.00 2.37 1.57 -0.07 0.49 116.57 121.12 1p6r h LYS 53 Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1p6r h LYS 53 Cb 0.47 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1p6r h LYS 53 CO 0.10 0.54 0.00 1.63 -0.57 0.00 0.00 179.45 181.15 1p6r n LYS 54 N -4.50 0.15 -2.04 3.15 5.02 0.28 -0.17 118.16 120.06 1p6r n LYS 54 Ca 0.13 0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.69 1p6r n LYS 54 Cb 0.26 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.37 0.22 0.14 0.72 0.00 0.16 -1.69 105.19 105.11 1p6r n GLY 55 Ca 0.03 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 0.19 0.03 -3.66 4.61 0.00 -0.86 -3.43 119.26 116.14 1p6r h ALA 56 Ca -0.10 -0.99 -0.44 0.00 0.00 0.00 0.00 54.91 53.39 1p6r h ALA 56 Cb 1.04 0.33 -0.32 0.00 0.00 0.00 0.00 17.79 18.84 1p6r h ALA 56 CO 0.12 0.81 -0.79 -0.51 0.00 0.00 0.00 179.25 178.87 1p6r s LEU 57 N -7.51 1.65 0.32 0.00 1.43 -1.21 -1.87 118.68 111.48 1p6r s LEU 57 Ca -0.14 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1p6r s LEU 57 Cb 0.04 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1p6r s LEU 57 CO 0.87 0.03 0.61 0.21 0.23 0.00 0.00 176.35 178.29 1p6r s ASN 58 N 0.45 6.46 0.09 2.29 2.47 0.13 -4.25 114.94 122.59 1p6r s ASN 58 Ca -0.07 0.82 0.02 0.00 0.42 0.00 0.00 52.86 54.04 1p6r s ASN 58 Cb -0.11 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1p6r s ASN 58 CO 0.01 -0.25 -0.07 -1.38 -3.72 0.00 0.00 177.10 171.69 1p6r s HIS 59 N -2.16 0.89 -0.04 0.43 -3.43 -1.26 -0.28 115.29 109.44 1p6r s HIS 59 Ca 0.46 -0.85 0.07 0.00 -0.80 0.00 0.00 55.06 53.93 1p6r s HIS 59 Cb -0.11 -0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 30.52 1p6r s HIS 59 CO 0.30 -0.13 -0.24 -1.58 -2.00 0.00 0.00 174.74 171.10 1p6r s HIS 60 N -3.33 2.29 -0.85 0.38 2.46 0.26 -4.96 115.29 111.54 1p6r s HIS 60 Ca 0.10 -0.59 -0.20 0.00 0.47 0.00 0.00 55.06 54.83 1p6r s HIS 60 Cb 0.03 -1.50 0.11 0.00 -0.13 0.00 0.00 32.58 31.10 1p6r s HIS 60 CO -0.04 -0.15 1.08 0.15 -2.47 0.00 0.00 174.74 173.31 1p6r s LYS 61 N -0.30 3.44 0.09 2.88 1.02 -1.26 -0.42 119.74 125.19 1p6r s LYS 61 Ca 0.01 -1.46 -0.22 0.00 0.02 0.00 0.00 55.97 54.32 1p6r s LYS 61 Cb -0.12 -4.72 -0.07 0.00 -0.52 0.00 0.00 37.83 32.40 1p6r s LYS 61 CO 0.02 -1.80 0.67 -2.00 -0.92 0.00 0.00 175.35 171.33 1p6r s GLU 62 N 3.17 4.39 -0.49 1.68 -6.30 -1.24 -4.97 118.70 114.94 1p6r s GLU 62 Ca 0.30 0.93 -0.03 0.00 -2.50 0.00 0.00 54.97 53.66 1p6r s GLU 62 Cb -0.09 -3.28 -0.05 0.00 0.00 0.00 0.00 34.13 30.72 1p6r s GLU 62 CO -0.04 0.54 1.74 0.41 0.02 0.00 0.00 175.26 177.93 1p6r n GLY 63 N 1.85 2.46 0.89 -1.50 0.00 -1.26 -2.95 105.19 104.68 1p6r n GLY 63 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1p6r n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1p6r n ARG 64 N 4.09 0.00 -3.85 1.61 0.63 -1.26 -5.13 116.66 112.74 1p6r n ARG 64 Ca 0.27 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.09 1p6r n ARG 64 Cb 0.15 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.96 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1p6r s VAL 65 N -2.00 0.07 0.24 5.15 -7.23 -1.15 -5.04 120.40 110.44 1p6r s VAL 65 Ca 0.00 -0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 59.42 1p6r s VAL 65 Cb 0.00 -0.43 -0.08 0.00 0.56 0.00 0.00 36.38 36.43 1p6r s VAL 65 CO 0.00 -0.32 0.68 0.72 -0.31 0.00 0.00 175.10 175.87 1p6r s PHE 66 N -1.20 3.55 -0.12 2.82 -0.71 -1.26 -3.71 117.98 117.34 1p6r s PHE 66 Ca -0.13 1.24 -0.12 0.00 -1.04 0.00 0.00 56.93 56.88 1p6r s PHE 66 Cb -0.07 -2.52 -0.05 0.00 -1.21 0.00 0.00 43.02 39.17 1p6r s PHE 66 CO 0.02 0.28 0.26 0.08 -1.34 0.00 0.00 175.22 174.51 1p6r s VAL 67 N -1.66 5.31 -0.23 -2.49 1.01 0.44 -1.15 120.40 121.63 1p6r s VAL 67 Ca 0.45 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1p6r s VAL 67 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1p6r s VAL 67 CO 0.20 0.50 0.08 -0.31 0.00 0.00 0.00 175.10 175.56 1p6r s TYR 68 N -0.26 3.15 -0.24 5.22 2.02 -0.05 -0.58 117.35 126.61 1p6r s TYR 68 Ca 0.17 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1p6r s TYR 68 Cb -0.13 -2.19 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 1p6r s TYR 68 CO 0.05 -0.16 -0.04 0.95 -1.57 0.00 0.00 175.55 174.78 1p6r s THR 69 N 1.19 3.14 -0.36 -0.71 -4.23 0.62 -3.62 115.64 111.67 1p6r s THR 69 Ca 0.05 -0.79 -0.42 0.00 -1.18 0.00 0.00 61.69 59.35 1p6r s THR 69 Cb -0.14 -2.52 -0.16 0.00 1.34 0.00 0.00 72.50 71.01 1p6r s THR 69 CO 0.04 0.28 1.80 -2.65 -0.54 0.00 0.00 174.62 173.55 1p6r n PRO 70 N 4.74 0.78 0.05 3.99 -0.02 -1.26 -0.69 135.00 142.59 1p6r n PRO 70 Ca -0.17 0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.36 1p6r n PRO 70 Cb 0.49 -1.95 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 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 7.44 0.56 -2.13 2.55 -1.24 -1.69 -3.44 115.58 117.63 1p6r h ASN 71 Ca -0.40 -0.94 -0.55 0.00 0.71 0.00 0.00 56.30 55.11 1p6r h ASN 71 Cb 1.34 -0.18 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 1p6r h ASN 71 CO 0.98 1.80 -0.61 0.27 -1.29 0.00 0.00 177.43 178.59 1p6r s ILE 72 N -2.57 3.43 0.34 2.57 -4.36 -1.15 -5.01 121.20 114.45 1p6r s ILE 72 Ca -0.18 -1.82 -0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1p6r s ILE 72 Cb 0.06 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1p6r s ILE 72 CO 0.83 -0.33 0.55 -0.62 0.24 0.00 0.00 174.94 175.61 1p6r s ASP 73 N -3.73 6.32 0.27 4.36 2.15 -1.26 -5.00 116.67 119.78 1p6r s ASP 73 Ca 0.33 0.50 -0.02 0.00 0.43 0.00 0.00 52.55 53.79 1p6r s ASP 73 Cb -0.06 -2.05 0.59 0.00 -0.30 0.00 0.00 42.92 41.10 1p6r s ASP 73 CO 0.21 -0.28 1.64 -0.33 -0.17 0.00 0.00 175.17 176.24 1p6r h GLU 74 N 0.91 0.15 -0.05 4.34 5.08 -2.01 0.63 114.58 123.63 1p6r h GLU 74 Ca -0.49 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1p6r h GLU 74 Cb 1.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1p6r h GLU 74 CO 0.62 0.10 0.20 0.77 -1.00 0.00 0.00 179.01 179.70 1p6r h SER 75 N 0.15 0.00 1.00 1.42 0.02 -2.06 0.08 113.55 114.17 1p6r h SER 75 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1p6r h SER 75 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1p6r h SER 75 CO -0.68 0.00 0.00 -0.78 -1.14 0.00 0.00 176.83 174.23 1p6r h ASP 76 N 0.00 0.00 0.00 3.07 3.58 -1.25 -3.38 116.42 118.44 1p6r h ASP 76 Ca 0.03 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 57.01 1p6r h ASP 76 Cb 0.42 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.49 1p6r h ASP 76 CO -0.00 0.00 3.00 0.00 -2.88 0.00 0.00 179.24 179.36 1p6r n TYR 77 N -2.51 1.69 -3.84 0.28 9.36 0.01 -4.71 117.16 117.45 1p6r n TYR 77 Ca 0.02 -2.31 -0.34 0.00 3.32 0.00 0.00 57.90 58.59 1p6r n TYR 77 Cb 0.30 -1.93 -0.12 0.00 -0.63 0.00 0.00 39.34 36.96 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 3.03 3.10 -0.69 2.97 1.01 -1.26 -5.06 121.20 124.30 1p6r s ILE 78 Ca 0.49 -2.69 -0.26 0.00 0.00 0.00 0.00 60.65 58.18 1p6r s ILE 78 Cb 0.13 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1p6r s ILE 78 CO -0.04 -0.76 1.63 -1.61 0.00 0.00 0.00 174.94 174.16 1p6r s GLU 79 N 0.38 2.87 0.08 2.79 2.02 -1.26 -4.97 118.70 120.61 1p6r s GLU 79 Ca 0.14 0.17 0.05 0.00 0.02 0.00 0.00 54.97 55.35 1p6r s GLU 79 Cb -0.22 -4.38 -0.04 0.00 0.10 0.00 0.00 34.13 29.59 1p6r s GLU 79 CO -0.04 -2.53 -0.04 0.14 0.02 0.00 0.00 175.26 172.82 1p6r s VAL 80 N 7.71 3.77 0.00 2.63 -7.23 -1.26 -5.02 120.40 121.00 1p6r s VAL 80 Ca 0.54 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1p6r s VAL 80 Cb -0.10 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1p6r s VAL 80 CO 0.16 0.16 0.00 1.17 -0.31 0.00 0.00 175.10 176.28 1p6r n LYS 81 N 0.77 0.00 0.00 4.82 4.81 -1.26 -4.99 118.16 122.31 1p6r n LYS 81 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1p6r n LYS 81 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00