#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1r n GLY 2 N 0.00 -1.01 3.69 3.17 0.00 -1.26 -5.00 105.19 104.79 2k1r n GLY 2 Ca 0.00 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 43.98 2k1r n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k1r n VAL 3 N -0.70 1.11 -4.63 1.61 0.24 -1.26 -4.48 118.33 110.21 2k1r n VAL 3 Ca 0.00 -0.28 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 2k1r n VAL 3 Cb 0.00 -1.60 -0.16 0.00 -1.47 0.00 0.00 33.84 30.60 2k1r n VAL 3 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2k1r s ASN 4 N 0.26 3.08 -0.13 -1.34 2.47 -0.58 -4.99 114.94 113.70 2k1r s ASN 4 Ca 0.65 -0.60 -0.06 0.00 0.42 0.00 0.00 52.86 53.28 2k1r s ASN 4 Cb -0.60 -1.43 -0.04 0.00 -1.45 0.00 0.00 41.25 37.73 2k1r s ASN 4 CO 0.51 0.07 0.08 -0.55 -3.72 0.00 0.00 177.10 173.50 2k1r s SER 5 N 0.85 5.89 0.01 -4.21 0.15 -1.26 -1.44 113.70 113.69 2k1r s SER 5 Ca -0.06 0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.90 2k1r s SER 5 Cb -0.15 -1.87 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 2k1r s SER 5 CO -0.02 0.34 -0.09 -0.69 1.20 0.00 0.00 173.24 173.98 2k1r s VAL 6 N -0.64 0.68 -0.05 4.45 1.01 0.29 -5.00 120.40 121.14 2k1r s VAL 6 Ca 0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2k1r s VAL 6 Cb -0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2k1r s VAL 6 CO 0.02 0.02 0.01 -0.89 0.00 0.00 0.00 175.10 174.27 2k1r s THR 7 N -0.56 4.33 -0.07 3.92 2.01 -1.26 -0.94 115.64 123.08 2k1r s THR 7 Ca -0.00 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.64 2k1r s THR 7 Cb -0.05 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2k1r s THR 7 CO 0.00 0.50 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.74 2k1r s ILE 8 N -0.99 0.77 -1.20 1.82 1.01 0.63 -0.31 121.20 122.94 2k1r s ILE 8 Ca 0.16 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 2k1r s ILE 8 Cb -0.11 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2k1r s ILE 8 CO 0.06 0.29 2.16 -1.54 0.00 0.00 0.00 174.94 175.91 2k1r n SER 9 N 4.33 3.70 -4.18 3.58 3.41 -0.61 -1.08 113.62 122.76 2k1r n SER 9 Ca -0.19 -2.75 -0.38 0.00 -0.26 0.00 0.00 58.87 55.29 2k1r n SER 9 Cb 0.51 -1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 2k1r n SER 9 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2k1r n VAL 10 N 5.30 2.68 0.40 -3.33 0.31 -1.23 -4.07 118.33 118.39 2k1r n VAL 10 Ca 0.52 -2.60 0.13 0.00 -0.01 0.00 0.00 64.34 62.38 2k1r n VAL 10 Cb 0.38 -2.33 0.50 0.00 -0.91 0.00 0.00 33.84 31.48 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2k1r h GLU 11 N 8.03 0.00 -0.02 5.55 4.81 -1.51 -3.14 114.58 128.30 2k1r h GLU 11 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2k1r h GLU 11 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2k1r h GLU 11 CO 1.60 0.00 -0.30 0.41 -0.73 0.00 0.00 179.01 179.99 2k1r n GLY 12 N 0.11 0.05 3.64 1.92 0.00 -1.26 -4.98 105.19 104.68 2k1r n GLY 12 Ca 0.02 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2k1r n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k1r s MET 13 N -2.36 3.11 0.00 1.61 -2.45 -1.19 -4.96 119.30 113.07 2k1r s MET 13 Ca 0.23 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 2k1r s MET 13 Cb 0.19 -2.81 0.00 0.00 1.25 0.00 0.00 34.83 33.46 2k1r s MET 13 CO 0.49 0.60 0.00 -2.37 1.05 0.00 0.00 175.02 174.79 2k1r n THR 14 N 2.44 0.00 -2.80 10.11 5.66 -1.26 -4.70 114.28 123.72 2k1r n THR 14 Ca -0.18 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 2k1r n THR 14 Cb 0.53 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.34 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1r h ASN 16 N 0.26 -0.11 1.47 0.00 -1.24 -2.03 -0.31 115.58 113.63 2k1r h ASN 16 Ca -0.43 0.05 -0.08 0.00 0.71 0.00 0.00 56.30 56.55 2k1r h ASN 16 Cb 1.28 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 2k1r h ASN 16 CO 0.52 -0.03 -0.54 0.77 -1.29 0.00 0.00 177.43 176.86 2k1r h SER 17 N 0.05 0.00 -0.22 1.15 4.64 -1.99 -3.27 113.55 113.90 2k1r h SER 17 Ca 0.10 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 2k1r h SER 17 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2k1r h SER 17 CO -0.18 0.37 -0.35 0.00 -0.87 0.00 0.00 176.83 175.80 2k1r h VAL 19 N 0.31 0.98 -0.10 0.00 -1.51 -1.21 -2.79 116.25 111.93 2k1r h VAL 19 Ca 0.02 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.90 2k1r h VAL 19 Cb 0.93 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2k1r h VAL 19 CO 0.08 0.15 -0.07 -0.25 -1.23 0.00 0.00 177.57 176.25 2k1r h TRP 20 N 0.00 0.26 -0.52 5.19 7.01 -1.56 -3.26 115.95 123.08 2k1r h TRP 20 Ca -0.00 -0.07 0.10 0.00 2.11 0.00 0.00 58.89 61.03 2k1r h TRP 20 Cb 0.30 -0.06 -0.10 0.00 -2.10 0.00 0.00 29.16 27.19 2k1r h TRP 20 CO 0.00 0.60 -0.25 1.15 -2.79 0.00 0.00 178.44 177.16 2k1r h THR 21 N -0.15 0.30 -0.34 2.65 2.02 -0.86 -1.68 112.91 114.85 2k1r h THR 21 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 2k1r h THR 21 Cb 0.54 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2k1r h THR 21 CO 0.02 0.00 0.21 0.40 0.37 0.00 0.00 175.52 176.52 2k1r h ILE 22 N -0.12 1.05 -0.39 3.11 1.08 -1.63 -0.41 117.51 120.20 2k1r h ILE 22 Ca 0.23 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2k1r h ILE 22 Cb 0.49 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2k1r h ILE 22 CO -0.59 0.08 -0.14 -0.08 -0.69 0.00 0.00 178.15 176.72 2k1r h GLU 23 N 0.43 0.71 0.00 2.37 4.81 -1.47 -0.32 114.58 121.12 2k1r h GLU 23 Ca 0.13 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2k1r h GLU 23 Cb -0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2k1r h GLU 23 CO -0.05 0.82 -0.66 1.96 -0.73 0.00 0.00 179.01 180.35 2k1r h GLN 24 N 0.64 0.00 0.32 1.92 1.08 -1.03 -2.51 115.11 115.53 2k1r h GLN 24 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2k1r h GLN 24 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2k1r h GLN 24 CO 0.04 0.66 -0.16 1.96 -0.95 0.00 0.00 178.83 180.38 2k1r h GLN 25 N 0.00 -0.42 -0.12 1.46 4.20 -0.78 -3.40 115.11 116.05 2k1r h GLN 25 Ca -0.01 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2k1r h GLN 25 Cb 1.17 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 2k1r h GLN 25 CO 0.09 -0.11 -0.17 0.82 -0.67 0.00 0.00 178.83 178.78 2k1r h ILE 26 N -0.97 1.37 0.00 2.54 5.03 -1.15 -3.28 117.51 121.05 2k1r h ILE 26 Ca -0.04 -1.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.30 2k1r h ILE 26 Cb 0.50 2.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 2k1r h ILE 26 CO 0.07 0.41 0.00 0.61 -0.68 0.00 0.00 178.15 178.56 2k1r n GLY 27 N 0.32 -0.18 0.40 5.37 0.00 -0.94 -0.48 105.19 109.67 2k1r n GLY 27 Ca -0.07 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2k1r n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k1r n LYS 28 N -0.95 1.49 -2.84 1.61 3.00 -1.24 -4.89 118.16 114.34 2k1r n LYS 28 Ca 0.04 -0.95 -0.43 0.00 -0.00 0.00 0.00 58.31 56.97 2k1r n LYS 28 Cb 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 2k1r n LYS 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2k1r s VAL 29 N -1.42 4.36 0.15 3.15 1.01 0.37 -4.96 120.40 123.06 2k1r s VAL 29 Ca 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 2k1r s VAL 29 Cb 0.11 -4.58 0.24 0.00 0.00 0.00 0.00 36.38 32.15 2k1r s VAL 29 CO 0.26 -1.21 0.82 -3.20 0.00 0.00 0.00 175.10 171.77 2k1r n ASN 30 N 7.55 -0.16 -0.01 3.32 2.85 -1.26 -1.52 115.26 126.02 2k1r n ASN 30 Ca 0.00 0.90 0.15 0.00 -0.11 0.00 0.00 54.58 55.52 2k1r n ASN 30 Cb 0.47 -0.28 0.72 0.00 1.24 0.00 0.00 39.78 41.92 2k1r n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1r n GLY 31 N -1.32 -1.29 3.76 8.20 0.00 -1.26 -4.86 105.19 108.42 2k1r n GLY 31 Ca 0.09 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2k1r n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1r s VAL 32 N -2.64 3.79 -0.05 1.61 -7.23 -0.58 -0.51 120.40 114.80 2k1r s VAL 32 Ca 0.26 1.76 0.04 0.00 -1.81 0.00 0.00 61.98 62.23 2k1r s VAL 32 Cb 0.20 -4.10 -0.06 0.00 0.56 0.00 0.00 36.38 32.98 2k1r s VAL 32 CO 0.48 0.39 0.02 1.41 -0.31 0.00 0.00 175.10 177.08 2k1r n HIS 33 N 1.22 0.00 -3.66 2.82 8.25 0.60 -4.91 115.22 119.54 2k1r n HIS 33 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 2k1r n HIS 33 Cb 0.46 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.25 2k1r n HIS 33 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k1r s HIS 34 N -2.12 -0.91 -0.14 4.41 2.46 -0.85 -4.96 115.29 113.18 2k1r s HIS 34 Ca -0.02 1.85 0.01 0.00 0.47 0.00 0.00 55.06 57.37 2k1r s HIS 34 Cb 0.01 0.51 -0.00 0.00 -0.13 0.00 0.00 32.58 32.98 2k1r s HIS 34 CO 0.20 -0.47 -0.16 -1.50 -2.47 0.00 0.00 174.74 170.34 2k1r s ILE 35 N 1.57 2.64 -0.04 0.89 -1.16 -1.26 -0.87 121.20 122.96 2k1r s ILE 35 Ca -0.10 -0.79 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 2k1r s ILE 35 Cb -0.06 -2.10 0.00 0.00 0.61 0.00 0.00 42.46 40.92 2k1r s ILE 35 CO -0.18 0.53 -0.13 -0.75 -2.81 0.00 0.00 174.94 171.60 2k1r s LYS 36 N 0.62 1.44 -0.05 3.50 2.20 -0.15 -5.03 119.74 122.28 2k1r s LYS 36 Ca -0.09 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 2k1r s LYS 36 Cb -0.16 -1.26 0.02 0.00 -1.51 0.00 0.00 37.83 34.92 2k1r s LYS 36 CO 0.03 0.14 -0.04 0.14 -0.36 0.00 0.00 175.35 175.25 2k1r s VAL 37 N 0.27 0.52 -0.40 4.02 -7.23 -1.26 -0.84 120.40 115.47 2k1r s VAL 37 Ca -0.06 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 2k1r s VAL 37 Cb -0.12 -0.56 0.09 0.00 0.56 0.00 0.00 36.38 36.36 2k1r s VAL 37 CO 0.02 0.22 0.21 -0.44 -0.31 0.00 0.00 175.10 174.80 2k1r s SER 38 N 0.96 5.36 0.23 4.85 0.01 0.01 -4.98 113.70 120.14 2k1r s SER 38 Ca -0.10 -1.75 0.10 0.00 1.31 0.00 0.00 55.95 55.51 2k1r s SER 38 Cb -0.14 -1.88 0.18 0.00 0.21 0.00 0.00 66.02 64.39 2k1r s SER 38 CO -0.00 -0.52 1.50 0.17 0.41 0.00 0.00 173.24 174.80 2k1r h LEU 39 N 8.19 0.00 0.00 2.44 -0.00 -1.86 -0.28 115.31 123.81 2k1r h LEU 39 Ca -0.18 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.51 2k1r h LEU 39 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.69 2k1r h LEU 39 CO 0.71 0.72 -1.16 -0.08 -0.00 0.00 0.00 178.44 178.63 2k1r h GLU 40 N 0.00 0.00 -0.37 0.17 4.81 -1.91 -3.32 114.58 113.95 2k1r h GLU 40 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k1r h GLU 40 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2k1r h GLU 40 CO 0.09 0.57 0.00 0.39 -0.73 0.00 0.00 179.01 179.34 2k1r n GLU 41 N -3.13 2.36 -3.86 1.92 1.02 -1.24 -5.02 120.64 112.69 2k1r n GLU 41 Ca -0.06 -2.09 -0.27 0.00 -0.02 0.00 0.00 57.16 54.72 2k1r n GLU 41 Cb 0.89 -1.39 0.02 0.00 -0.02 0.00 0.00 31.44 30.95 2k1r n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k1r n LYS 42 N 1.03 -5.06 -4.00 3.49 4.76 -0.17 -4.95 118.16 113.25 2k1r n LYS 42 Ca 0.15 0.58 -0.09 0.00 -2.87 0.00 0.00 58.31 56.08 2k1r n LYS 42 Cb 0.49 -5.29 -0.05 0.00 -1.84 0.00 0.00 35.03 28.34 2k1r n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k1r s ASN 43 N -3.76 -0.08 -0.05 4.39 2.20 -0.86 -3.51 114.94 113.27 2k1r s ASN 43 Ca 0.39 -0.94 0.02 0.00 -0.94 0.00 0.00 52.86 51.38 2k1r s ASN 43 Cb -0.19 0.58 0.02 0.00 -2.00 0.00 0.00 41.25 39.65 2k1r s ASN 43 CO 0.83 -1.12 -0.08 0.00 -2.94 0.00 0.00 177.10 173.79 2k1r s ALA 44 N -4.02 0.89 -0.00 3.54 0.00 -0.25 -0.81 121.76 121.11 2k1r s ALA 44 Ca 0.23 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.06 2k1r s ALA 44 Cb -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2k1r s ALA 44 CO 0.09 0.06 -0.25 0.99 0.00 0.00 0.00 175.76 176.65 2k1r s THR 45 N 0.69 1.97 -0.14 0.00 2.01 -0.02 -0.27 115.64 119.87 2k1r s THR 45 Ca -0.11 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 2k1r s THR 45 Cb -0.14 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.76 2k1r s THR 45 CO 0.01 0.49 0.37 -0.51 -0.69 0.00 0.00 174.62 174.30 2k1r s ILE 46 N -0.64 -0.00 -0.16 1.82 2.07 -0.11 -0.97 121.20 123.21 2k1r s ILE 46 Ca 0.10 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.29 2k1r s ILE 46 Cb -0.10 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 2k1r s ILE 46 CO -0.00 0.01 0.06 -0.63 -1.91 0.00 0.00 174.94 172.46 2k1r s ILE 47 N 0.37 4.78 0.05 2.00 1.01 -0.05 -0.55 121.20 128.81 2k1r s ILE 47 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2k1r s ILE 47 Cb -0.04 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2k1r s ILE 47 CO -0.01 0.51 -0.02 -0.72 0.00 0.00 0.00 174.94 174.70 2k1r s TYR 48 N -0.06 0.48 -0.25 3.97 -0.85 -0.52 -0.30 117.35 119.83 2k1r s TYR 48 Ca 0.06 -1.00 -0.29 0.00 -0.52 0.00 0.00 57.07 55.32 2k1r s TYR 48 Cb -0.12 -0.36 -0.01 0.00 0.38 0.00 0.00 41.96 41.86 2k1r s TYR 48 CO 0.01 -0.37 1.34 0.34 -1.52 0.00 0.00 175.55 175.35 2k1r s ASP 49 N -2.80 6.71 0.33 -0.18 -1.08 0.33 -1.53 116.67 118.46 2k1r s ASP 49 Ca 0.05 1.42 0.26 0.00 -0.52 0.00 0.00 52.55 53.76 2k1r s ASP 49 Cb 0.06 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 40.12 2k1r s ASP 49 CO -0.09 -1.01 1.78 1.55 0.52 0.00 0.00 175.17 177.91 2k1r h PRO 50 N 9.19 0.00 0.16 4.34 0.13 -1.85 -3.01 132.00 140.97 2k1r h PRO 50 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2k1r h PRO 50 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k1r h PRO 50 CO 1.01 0.00 -0.08 0.87 -0.23 0.00 0.00 178.00 179.57 2k1r h LYS 51 N 0.00 -0.20 -0.00 0.86 1.57 -1.94 -3.38 116.57 113.47 2k1r h LYS 51 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2k1r h LYS 51 Cb 0.32 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k1r h LYS 51 CO 0.00 -0.14 -0.16 1.28 -0.57 0.00 0.00 179.45 179.87 2k1r n LEU 52 N -2.77 0.42 -4.22 2.94 4.32 -1.21 -4.93 117.00 111.55 2k1r n LEU 52 Ca -0.03 0.08 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 2k1r n LEU 52 Cb 0.08 -0.24 -0.10 0.00 -1.62 0.00 0.00 43.42 41.54 2k1r n LEU 52 CO 0.06 0.08 -0.41 -1.58 -1.22 0.00 0.00 177.39 174.32 2k1r s GLN 53 N -2.64 0.96 0.07 3.23 -0.44 -1.14 -4.74 119.66 114.97 2k1r s GLN 53 Ca 0.24 -1.32 0.00 0.00 -2.50 0.00 0.00 55.36 51.78 2k1r s GLN 53 Cb 0.19 -0.58 -0.04 0.00 -1.64 0.00 0.00 33.01 30.95 2k1r s GLN 53 CO 0.52 0.08 -0.05 0.95 0.50 0.00 0.00 175.29 177.29 2k1r s THR 54 N -2.95 0.45 0.22 -0.34 -4.23 -1.26 -4.73 115.64 102.80 2k1r s THR 54 Ca 0.12 -1.80 0.20 0.00 -1.18 0.00 0.00 61.69 59.02 2k1r s THR 54 Cb 0.00 -1.51 0.16 0.00 1.34 0.00 0.00 72.50 72.50 2k1r s THR 54 CO 0.00 -0.90 1.79 1.55 -0.54 0.00 0.00 174.62 176.53 2k1r h PRO 55 N 3.18 0.00 -0.26 3.99 0.13 -2.01 -3.24 132.00 133.80 2k1r h PRO 55 Ca -0.35 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2k1r h PRO 55 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k1r h PRO 55 CO 0.63 0.33 0.15 -0.22 -0.23 0.00 0.00 178.00 178.66 2k1r h LYS 56 N 0.00 0.30 -0.97 0.86 3.64 -1.99 -1.93 116.57 116.48 2k1r h LYS 56 Ca -0.00 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 2k1r h LYS 56 Cb 0.79 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.43 2k1r h LYS 56 CO 0.04 0.20 0.56 1.15 -2.27 0.00 0.00 179.45 179.14 2k1r h THR 57 N 0.31 0.65 -0.04 1.00 2.02 -1.98 0.07 112.91 114.94 2k1r h THR 57 Ca 0.10 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2k1r h THR 57 Cb -0.01 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 2k1r h THR 57 CO -0.05 0.12 -0.06 -0.07 0.37 0.00 0.00 175.52 175.83 2k1r h LEU 58 N 0.68 0.13 -0.33 2.58 4.07 -1.56 -1.31 115.31 119.57 2k1r h LEU 58 Ca 0.58 -0.54 0.04 0.00 0.08 0.00 0.00 57.88 58.03 2k1r h LEU 58 Cb 0.95 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2k1r h LEU 58 CO -0.41 0.64 0.11 1.56 -1.08 0.00 0.00 178.44 179.26 2k1r h GLN 59 N -0.39 0.24 0.00 1.13 1.08 -0.84 -2.68 115.11 113.65 2k1r h GLN 59 Ca 0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2k1r h GLN 59 Cb 0.62 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2k1r h GLN 59 CO 0.01 0.16 -0.30 0.93 -0.95 0.00 0.00 178.83 178.68 2k1r h GLU 60 N 0.24 0.00 -0.74 1.46 5.08 -1.02 -2.45 114.58 117.14 2k1r h GLU 60 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2k1r h GLU 60 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2k1r h GLU 60 CO -0.16 0.30 0.38 0.00 -1.00 0.00 0.00 179.01 178.53 2k1r h ALA 61 N 1.70 0.95 -0.16 3.43 0.00 -0.90 -2.81 119.26 121.47 2k1r h ALA 61 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2k1r h ALA 61 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k1r h ALA 61 CO 0.04 0.50 -0.40 0.82 0.00 0.00 0.00 179.25 180.20 2k1r h ILE 62 N 1.03 1.31 0.00 0.00 1.08 -1.24 -3.10 117.51 116.59 2k1r h ILE 62 Ca 0.26 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 2k1r h ILE 62 Cb 0.08 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 2k1r h ILE 62 CO -0.04 0.47 0.00 -0.67 -0.69 0.00 0.00 178.15 177.22 2k1r n ASP 63 N -4.03 0.00 0.18 1.72 2.03 -0.99 -2.27 116.55 113.19 2k1r n ASP 63 Ca -0.01 0.35 0.04 0.00 0.52 0.00 0.00 54.79 55.68 2k1r n ASP 63 Cb 0.49 -0.43 0.32 0.00 -0.72 0.00 0.00 41.12 40.79 2k1r n ASP 63 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k1r h ASP 64 N 0.00 0.00 0.00 1.67 3.32 -1.44 -3.45 116.42 116.51 2k1r h ASP 64 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k1r h ASP 64 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2k1r h ASP 64 CO 0.00 0.42 0.00 0.23 -1.72 0.00 0.00 179.24 178.17 2k1r n MET 65 N -3.73 0.56 -2.99 3.56 2.81 -0.96 -5.08 117.12 111.29 2k1r n MET 65 Ca -0.01 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 2k1r n MET 65 Cb 0.50 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.02 2k1r n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k1r n GLY 66 N 5.00 2.50 3.08 3.03 0.00 -1.26 -5.12 105.19 112.42 2k1r n GLY 66 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2k1r n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k1r s PHE 67 N -1.66 0.54 -0.04 1.61 0.08 -1.26 -5.03 117.98 112.22 2k1r s PHE 67 Ca 0.33 -0.92 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2k1r s PHE 67 Cb 0.35 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 2k1r s PHE 67 CO -0.06 -0.30 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.19 2k1r s ASP 68 N -2.61 4.68 -0.20 1.36 1.11 -1.26 -4.68 116.67 115.07 2k1r s ASP 68 Ca 0.03 -0.07 -0.21 0.00 0.18 0.00 0.00 52.55 52.49 2k1r s ASP 68 Cb 0.04 -1.15 0.06 0.00 1.07 0.00 0.00 42.92 42.93 2k1r s ASP 68 CO -0.07 0.33 0.58 0.00 1.18 0.00 0.00 175.17 177.18 2k1r s ALA 69 N -0.90 -1.44 -0.03 5.23 0.00 -1.26 -2.21 121.76 121.14 2k1r s ALA 69 Ca 0.15 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.63 2k1r s ALA 69 Cb -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2k1r s ALA 69 CO 0.04 -0.28 0.14 0.08 0.00 0.00 0.00 175.76 175.74 2k1r s VAL 70 N 0.18 0.03 0.25 0.00 1.01 -1.26 -4.99 120.40 115.63 2k1r s VAL 70 Ca -0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2k1r s VAL 70 Cb -0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 35.96 2k1r s VAL 70 CO 0.01 -0.14 1.43 -0.63 0.00 0.00 0.00 175.10 175.78 2k1r s ILE 71 N -0.44 2.67 0.00 2.22 -1.09 -1.26 -1.58 121.20 121.72 2k1r s ILE 71 Ca -0.05 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2k1r s ILE 71 Cb -0.03 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2k1r s ILE 71 CO 0.01 0.09 0.00 1.57 -1.23 0.00 0.00 174.94 175.38 2k1r n HIS 72 N 2.27 0.00 -1.70 3.97 -0.00 0.57 -4.87 115.22 115.46 2k1r n HIS 72 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2k1r n HIS 72 Cb 0.40 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.27 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09