#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 0.88 3.70 -5.12 0.00 -1.26 -5.06 105.19 98.33 2k1r n GLY 2 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2k1r n GLY 2 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1r s VAL 3 N -2.22 4.91 0.05 1.61 -7.23 -1.26 -4.41 120.40 111.85 2k1r s VAL 3 Ca 0.00 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 2k1r s VAL 3 Cb 0.00 -4.22 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 2k1r s VAL 3 CO 0.00 0.15 0.19 0.20 -0.31 0.00 0.00 175.10 175.32 2k1r s ASN 4 N 0.98 6.24 0.02 4.85 0.02 -0.55 -4.97 114.94 121.53 2k1r s ASN 4 Ca 0.46 0.24 0.03 0.00 -1.02 0.00 0.00 52.86 52.57 2k1r s ASN 4 Cb -0.19 -1.90 -0.02 0.00 0.02 0.00 0.00 41.25 39.17 2k1r s ASN 4 CO 0.22 0.18 -0.10 -0.55 0.02 0.00 0.00 177.10 176.87 2k1r s SER 5 N -2.42 1.16 -0.09 -1.22 0.15 -1.26 -1.19 113.70 108.83 2k1r s SER 5 Ca 0.33 -0.35 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 2k1r s SER 5 Cb -0.13 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.16 2k1r s SER 5 CO 0.26 0.00 0.52 0.54 1.20 0.00 0.00 173.24 175.77 2k1r s VAL 6 N -0.69 0.02 -0.11 4.45 0.11 -0.48 -5.02 120.40 118.68 2k1r s VAL 6 Ca -0.00 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2k1r s VAL 6 Cb -0.06 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2k1r s VAL 6 CO 0.00 -0.08 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.70 2k1r s THR 7 N -0.73 3.31 -0.10 5.04 2.01 -0.36 -1.40 115.64 123.41 2k1r s THR 7 Ca -0.08 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2k1r s THR 7 Cb -0.03 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 2k1r s THR 7 CO 0.05 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 2k1r s ILE 8 N -0.05 2.49 -0.51 1.82 1.01 0.18 -0.93 121.20 125.21 2k1r s ILE 8 Ca -0.02 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 2k1r s ILE 8 Cb -0.14 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.37 2k1r s ILE 8 CO 0.03 0.55 1.26 -0.44 0.00 0.00 0.00 174.94 176.35 2k1r s SER 9 N 0.19 6.42 -1.19 3.58 0.01 0.20 -0.40 113.70 122.51 2k1r s SER 9 Ca -0.12 0.41 -0.10 0.00 1.31 0.00 0.00 55.95 57.45 2k1r s SER 9 Cb -0.16 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.73 2k1r s SER 9 CO 0.06 -1.44 1.49 0.52 0.41 0.00 0.00 173.24 174.28 2k1r n VAL 10 N 6.86 4.49 0.16 3.43 0.31 0.96 -0.44 118.33 134.10 2k1r n VAL 10 Ca 0.12 -4.94 0.17 0.00 -0.01 0.00 0.00 64.34 59.68 2k1r n VAL 10 Cb 0.49 -2.41 0.65 0.00 -0.91 0.00 0.00 33.84 31.65 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k1r h GLU 11 N 6.45 0.00 -0.01 5.55 4.39 -1.44 -1.29 114.58 128.23 2k1r h GLU 11 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2k1r h GLU 11 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2k1r h GLU 11 CO 1.31 0.00 -0.26 0.41 -1.16 0.00 0.00 179.01 179.30 2k1r n GLY 12 N -1.43 -0.65 3.33 -3.84 0.00 -0.29 -4.87 105.19 97.45 2k1r n GLY 12 Ca 0.05 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.52 3.02 0.00 1.61 -2.45 -0.49 -4.80 119.30 113.67 2k1r s MET 13 Ca 0.24 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 2k1r s MET 13 Cb 0.19 -2.42 0.00 0.00 1.25 0.00 0.00 34.83 33.85 2k1r s MET 13 CO 0.53 0.30 0.41 -2.37 1.05 0.00 0.00 175.02 174.93 2k1r n THR 14 N 3.24 0.00 -3.83 10.11 5.66 -1.26 -4.54 114.28 123.66 2k1r n THR 14 Ca -0.18 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.73 2k1r n THR 14 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 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 1.31 0.38 1.48 0.00 -1.24 -2.00 -2.21 115.58 113.30 2k1r h ASN 16 Ca -0.19 -0.77 0.00 0.00 0.71 0.00 0.00 56.30 56.05 2k1r h ASN 16 Cb 0.79 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.73 2k1r h ASN 16 CO 0.25 1.10 -0.20 0.28 -1.29 0.00 0.00 177.43 177.57 2k1r h SER 17 N -0.30 0.00 -0.04 1.15 0.02 -2.00 -3.18 113.55 109.21 2k1r h SER 17 Ca -0.05 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2k1r h SER 17 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k1r h SER 17 CO 0.09 0.02 -0.04 0.00 -1.14 0.00 0.00 176.83 175.75 2k1r h VAL 19 N -0.39 1.12 -0.44 0.00 -1.51 -1.49 -2.01 116.25 111.53 2k1r h VAL 19 Ca 0.00 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 2k1r h VAL 19 Cb 0.57 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.84 2k1r h VAL 19 CO 0.01 0.16 0.24 -0.25 -1.23 0.00 0.00 177.57 176.50 2k1r h TRP 20 N 0.90 0.61 -0.36 5.19 7.01 -1.52 -2.99 115.95 124.78 2k1r h TRP 20 Ca 0.29 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.33 2k1r h TRP 20 Cb 0.04 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 2k1r h TRP 20 CO -0.00 0.47 0.06 1.15 -2.79 0.00 0.00 178.44 177.33 2k1r h THR 21 N 0.57 0.80 -0.51 2.65 2.02 -0.48 -1.32 112.91 116.64 2k1r h THR 21 Ca 0.15 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2k1r h THR 21 Cb 0.06 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2k1r h THR 21 CO -0.02 0.03 0.33 0.40 0.37 0.00 0.00 175.52 176.63 2k1r h ILE 22 N 0.18 1.12 -0.16 3.11 1.08 -1.36 -0.74 117.51 120.74 2k1r h ILE 22 Ca 0.17 -0.23 -0.11 0.00 -0.39 0.00 0.00 64.86 64.30 2k1r h ILE 22 Cb 0.21 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2k1r h ILE 22 CO -0.24 0.12 -0.38 -0.08 -0.69 0.00 0.00 178.15 176.89 2k1r h GLU 23 N 0.67 0.34 -0.29 2.37 4.81 -1.33 0.10 114.58 121.26 2k1r h GLU 23 Ca 0.19 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2k1r h GLU 23 Cb -0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k1r h GLU 23 CO -0.05 0.68 0.02 1.96 -0.73 0.00 0.00 179.01 180.89 2k1r h GLN 24 N 0.29 0.50 0.53 1.92 1.08 -0.88 -2.06 115.11 116.50 2k1r h GLN 24 Ca 0.03 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2k1r h GLN 24 Cb 0.80 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2k1r h GLN 24 CO 0.06 0.63 -0.26 1.96 -0.95 0.00 0.00 178.83 180.28 2k1r h GLN 25 N 0.31 -0.69 -0.33 1.46 4.20 -0.97 -3.33 115.11 115.76 2k1r h GLN 25 Ca 0.09 0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 2k1r h GLN 25 Cb 0.39 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2k1r h GLN 25 CO 0.01 -0.41 -0.25 0.82 -0.67 0.00 0.00 178.83 178.32 2k1r h ILE 26 N -1.12 1.29 0.00 2.54 1.08 -0.91 -2.36 117.51 118.03 2k1r h ILE 26 Ca -0.07 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2k1r h ILE 26 Cb 0.60 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2k1r h ILE 26 CO 0.12 0.46 0.00 0.61 -0.69 0.00 0.00 178.15 178.65 2k1r n GLY 27 N 0.07 -0.36 0.27 5.37 0.00 -0.77 -0.44 105.19 109.33 2k1r n GLY 27 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.29 0.28 -2.81 1.61 3.00 -0.91 -4.86 118.16 113.18 2k1r n LYS 28 Ca 0.01 -1.00 -0.43 0.00 -0.00 0.00 0.00 58.31 56.89 2k1r n LYS 28 Cb 0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 35.03 33.88 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 -0.59 4.33 0.17 3.15 1.01 0.41 -4.94 120.40 123.94 2k1r s VAL 29 Ca 0.08 0.24 0.33 0.00 0.00 0.00 0.00 61.98 62.63 2k1r s VAL 29 Cb 0.05 -4.58 0.33 0.00 0.00 0.00 0.00 36.38 32.18 2k1r s VAL 29 CO 0.08 -1.20 1.99 -1.13 0.00 0.00 0.00 175.10 174.84 2k1r h ASN 30 N 9.39 0.00 0.53 3.32 -0.73 -1.89 -2.68 115.58 123.52 2k1r h ASN 30 Ca -0.26 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.78 2k1r h ASN 30 Cb 1.07 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.64 2k1r h ASN 30 CO 1.11 0.00 -0.58 1.23 -0.37 0.00 0.00 177.43 178.82 2k1r h GLY 31 N 0.32 0.06 -5.08 1.57 0.00 -1.86 -3.47 103.07 94.61 2k1r h GLY 31 Ca 0.00 -0.07 -0.63 0.00 0.00 0.00 0.00 47.33 46.63 2k1r h GLY 31 CO 0.00 0.06 0.49 1.55 0.00 0.00 0.00 176.54 178.65 2k1r n VAL 32 N -3.86 0.45 -0.11 4.60 3.14 -1.01 -1.09 118.33 120.45 2k1r n VAL 32 Ca -0.01 -0.11 -0.14 0.00 -2.96 0.00 0.00 64.34 61.11 2k1r n VAL 32 Cb 0.59 -1.09 -0.14 0.00 -1.06 0.00 0.00 33.84 32.14 2k1r n VAL 32 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2k1r n HIS 33 N 2.27 0.02 -3.62 1.45 -0.00 0.83 -4.84 115.22 111.32 2k1r n HIS 33 Ca 0.16 0.01 -0.15 0.00 0.46 0.00 0.00 57.72 58.19 2k1r n HIS 33 Cb 0.25 -1.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.04 2k1r n HIS 33 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k1r s HIS 34 N -2.51 -0.67 -0.04 1.57 2.46 -0.65 -4.99 115.29 110.46 2k1r s HIS 34 Ca -0.22 1.50 0.06 0.00 0.47 0.00 0.00 55.06 56.88 2k1r s HIS 34 Cb 0.07 0.28 -0.02 0.00 -0.13 0.00 0.00 32.58 32.79 2k1r s HIS 34 CO 0.72 -0.42 -0.24 -1.50 -2.47 0.00 0.00 174.74 170.83 2k1r s ILE 35 N -0.15 2.19 0.02 0.89 -1.16 -1.26 -0.92 121.20 120.81 2k1r s ILE 35 Ca -0.04 -1.03 0.04 0.00 -0.51 0.00 0.00 60.65 59.11 2k1r s ILE 35 Cb -0.03 -1.79 -0.02 0.00 0.61 0.00 0.00 42.46 41.23 2k1r s ILE 35 CO 0.03 0.57 -0.13 -0.75 -2.81 0.00 0.00 174.94 171.86 2k1r s LYS 36 N -0.38 0.94 -0.04 3.50 2.20 0.06 -5.02 119.74 121.00 2k1r s LYS 36 Ca 0.03 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 2k1r s LYS 36 Cb -0.12 -0.93 0.02 0.00 -1.51 0.00 0.00 37.83 35.29 2k1r s LYS 36 CO 0.02 0.24 -0.06 0.14 -0.36 0.00 0.00 175.35 175.33 2k1r s VAL 37 N -0.68 0.61 -0.61 4.02 -7.23 -1.26 -0.89 120.40 114.37 2k1r s VAL 37 Ca 0.02 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2k1r s VAL 37 Cb -0.07 -0.62 0.15 0.00 0.56 0.00 0.00 36.38 36.41 2k1r s VAL 37 CO 0.01 0.24 0.40 -0.44 -0.31 0.00 0.00 175.10 174.99 2k1r s SER 38 N 0.79 4.90 0.53 4.85 0.01 0.03 -4.99 113.70 119.82 2k1r s SER 38 Ca -0.11 -3.04 0.19 0.00 1.31 0.00 0.00 55.95 54.30 2k1r s SER 38 Cb -0.14 -1.76 1.37 0.00 0.21 0.00 0.00 66.02 65.70 2k1r s SER 38 CO 0.01 -0.29 2.17 0.17 0.41 0.00 0.00 173.24 175.71 2k1r h LEU 39 N 6.65 0.00 0.00 2.44 8.10 -1.90 0.61 115.31 131.22 2k1r h LEU 39 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2k1r h LEU 39 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.13 2k1r h LEU 39 CO 0.71 0.00 -0.32 -1.84 -4.11 0.00 0.00 178.44 172.89 2k1r n GLU 40 N -4.39 0.16 0.00 0.17 0.00 -1.26 -3.58 120.64 111.74 2k1r n GLU 40 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 57.16 57.26 2k1r n GLU 40 Cb 0.09 -1.64 -0.00 0.00 0.00 0.00 0.00 31.44 29.89 2k1r n GLU 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k1r n GLU 41 N -1.90 2.16 -1.53 3.44 1.02 -0.58 -5.01 120.64 118.24 2k1r n GLU 41 Ca 0.05 -0.56 -0.17 0.00 -0.02 0.00 0.00 57.16 56.45 2k1r n GLU 41 Cb 0.40 -1.05 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.28 -1.39 -3.95 3.49 5.02 0.10 -4.97 118.16 116.18 2k1r n LYS 42 Ca 0.04 1.03 -0.24 0.00 -2.02 0.00 0.00 58.31 57.11 2k1r n LYS 42 Cb 0.19 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 2k1r n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k1r s ASN 43 N -2.47 6.33 -0.15 4.39 2.20 -1.14 -0.03 114.94 124.08 2k1r s ASN 43 Ca 0.00 0.14 -0.01 0.00 -0.94 0.00 0.00 52.86 52.05 2k1r s ASN 43 Cb 0.00 -1.90 0.04 0.00 -2.00 0.00 0.00 41.25 37.40 2k1r s ASN 43 CO 0.00 0.01 -0.01 0.00 -2.94 0.00 0.00 177.10 174.16 2k1r s ALA 44 N -1.82 1.11 -0.10 3.54 0.00 0.47 -0.79 121.76 124.17 2k1r s ALA 44 Ca 0.34 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2k1r s ALA 44 Cb -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2k1r s ALA 44 CO 0.29 -0.81 -0.23 0.99 0.00 0.00 0.00 175.76 175.99 2k1r s THR 45 N 1.80 2.02 -0.05 0.00 2.01 -0.07 -0.65 115.64 120.70 2k1r s THR 45 Ca 0.01 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 2k1r s THR 45 Cb -0.15 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.62 2k1r s THR 45 CO -0.07 0.55 0.15 -0.51 -0.69 0.00 0.00 174.62 174.04 2k1r s ILE 46 N 0.39 0.00 -0.14 1.82 2.07 -0.49 -0.76 121.20 124.09 2k1r s ILE 46 Ca -0.18 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.00 2k1r s ILE 46 Cb -0.18 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 2k1r s ILE 46 CO 0.08 -0.02 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.41 2k1r s ILE 47 N 0.00 3.79 -0.01 2.00 1.01 -0.10 -1.38 121.20 126.51 2k1r s ILE 47 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 2k1r s ILE 47 Cb -0.01 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.83 2k1r s ILE 47 CO 0.00 0.52 0.20 -0.72 0.00 0.00 0.00 174.94 174.94 2k1r s TYR 48 N 0.13 -0.06 -0.08 3.97 1.13 -0.33 -0.12 117.35 121.98 2k1r s TYR 48 Ca -0.02 0.07 -0.29 0.00 -1.41 0.00 0.00 57.07 55.42 2k1r s TYR 48 Cb -0.14 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2k1r s TYR 48 CO 0.03 -0.30 0.98 0.34 -2.51 0.00 0.00 175.55 174.08 2k1r s ASP 49 N -1.22 7.25 0.51 -0.18 2.15 -0.25 -1.48 116.67 123.46 2k1r s ASP 49 Ca -0.13 1.53 0.30 0.00 0.43 0.00 0.00 52.55 54.68 2k1r s ASP 49 Cb -0.06 -2.55 0.98 0.00 -0.30 0.00 0.00 42.92 40.99 2k1r s ASP 49 CO 0.02 -0.38 1.84 1.55 -0.17 0.00 0.00 175.17 178.04 2k1r h PRO 50 N 7.02 0.00 0.00 4.34 0.13 -1.77 -3.23 132.00 138.49 2k1r h PRO 50 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2k1r h PRO 50 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k1r h PRO 50 CO 0.82 0.01 -0.07 0.87 -0.23 0.00 0.00 178.00 179.40 2k1r h LYS 51 N 0.00 0.00 0.00 0.86 1.57 -1.94 -3.25 116.57 113.81 2k1r h LYS 51 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k1r h LYS 51 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2k1r h LYS 51 CO 0.00 0.07 -0.90 1.28 -0.57 0.00 0.00 179.45 179.33 2k1r n LEU 52 N -3.21 0.14 -3.59 2.94 4.32 -1.22 -5.10 117.00 111.28 2k1r n LEU 52 Ca 0.00 -0.21 -0.13 0.00 -0.02 0.00 0.00 56.01 55.65 2k1r n LEU 52 Cb 0.32 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.06 2k1r n LEU 52 CO 0.29 0.04 0.60 -1.58 -1.22 0.00 0.00 177.39 175.52 2k1r s GLN 53 N -2.14 0.74 0.12 3.23 0.74 -1.23 -4.71 119.66 116.42 2k1r s GLN 53 Ca -0.00 0.50 -0.01 0.00 0.05 0.00 0.00 55.36 55.89 2k1r s GLN 53 Cb 0.05 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.47 2k1r s GLN 53 CO 0.29 -0.16 0.06 0.95 -0.55 0.00 0.00 175.29 175.88 2k1r s THR 54 N -0.41 0.11 0.35 -0.34 -4.23 -1.26 -4.28 115.64 105.58 2k1r s THR 54 Ca -0.02 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 58.72 2k1r s THR 54 Cb -0.03 -1.98 0.33 0.00 1.34 0.00 0.00 72.50 72.16 2k1r s THR 54 CO 0.01 -0.50 1.81 -0.65 -0.54 0.00 0.00 174.62 174.75 2k1r h PRO 55 N 2.87 0.61 -0.36 3.99 0.11 -1.99 -1.24 132.00 135.99 2k1r h PRO 55 Ca -0.35 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.75 2k1r h PRO 55 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2k1r h PRO 55 CO 0.59 0.40 0.19 -0.22 -0.21 0.00 0.00 178.00 178.75 2k1r h LYS 56 N 0.63 0.38 -1.00 1.05 1.63 -2.00 -1.61 116.57 115.64 2k1r h LYS 56 Ca 0.54 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.43 2k1r h LYS 56 Cb 1.02 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.48 2k1r h LYS 56 CO -0.30 0.25 0.63 1.15 -3.45 0.00 0.00 179.45 177.74 2k1r h THR 57 N 0.39 0.93 -0.24 1.00 2.02 -1.64 -1.66 112.91 113.71 2k1r h THR 57 Ca 0.15 -0.34 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 2k1r h THR 57 Cb 0.04 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 2k1r h THR 57 CO -0.09 0.18 -0.51 -0.07 0.37 0.00 0.00 175.52 175.40 2k1r h LEU 58 N 1.01 0.74 -0.14 2.58 4.07 -0.93 -2.19 115.31 120.44 2k1r h LEU 58 Ca 0.49 -0.38 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 2k1r h LEU 58 Cb 0.47 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2k1r h LEU 58 CO -0.26 1.12 0.01 1.56 -1.08 0.00 0.00 178.44 179.79 2k1r h GLN 59 N 0.53 0.23 -0.35 1.13 4.20 -0.79 -3.25 115.11 116.82 2k1r h GLN 59 Ca 0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2k1r h GLN 59 Cb 1.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2k1r h GLN 59 CO 0.10 0.44 0.13 0.93 -0.67 0.00 0.00 178.83 179.76 2k1r h GLU 60 N -0.01 0.49 -0.41 1.46 4.39 -1.30 -2.35 114.58 116.85 2k1r h GLU 60 Ca 0.04 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2k1r h GLU 60 Cb 0.33 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2k1r h GLU 60 CO 0.00 0.42 0.29 0.00 -1.16 0.00 0.00 179.01 178.56 2k1r h ALA 61 N 1.66 2.13 -0.15 3.43 0.00 -1.42 -2.07 119.26 122.84 2k1r h ALA 61 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2k1r h ALA 61 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k1r h ALA 61 CO -0.01 -0.23 -0.50 0.82 0.00 0.00 0.00 179.25 179.33 2k1r h ILE 62 N 0.20 1.33 0.00 0.00 1.08 -1.52 -3.25 117.51 115.35 2k1r h ILE 62 Ca 0.19 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.93 2k1r h ILE 62 Cb 0.50 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2k1r h ILE 62 CO -0.03 0.53 0.00 -0.67 -0.69 0.00 0.00 178.15 177.28 2k1r n ASP 63 N -3.97 0.00 0.24 1.72 2.03 -0.78 -1.68 116.55 114.11 2k1r n ASP 63 Ca -0.02 0.19 0.07 0.00 0.52 0.00 0.00 54.79 55.55 2k1r n ASP 63 Cb 0.56 -0.36 0.56 0.00 -0.72 0.00 0.00 41.12 41.15 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 -6.09 1.67 5.19 -1.64 -3.44 116.42 112.11 2k1r h ASP 64 Ca 0.00 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.99 2k1r h ASP 64 Cb 0.23 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.77 2k1r h ASP 64 CO 0.00 0.15 -0.03 0.23 -3.12 0.00 0.00 179.24 176.46 2k1r n MET 65 N -4.25 0.54 -2.37 3.56 2.81 -0.68 -5.04 117.12 111.70 2k1r n MET 65 Ca -0.02 -2.66 -0.40 0.00 -1.81 0.00 0.00 57.70 52.80 2k1r n MET 65 Cb 0.22 -0.27 0.01 0.00 -0.71 0.00 0.00 33.22 32.47 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 -1.24 5.76 3.59 3.03 0.00 -1.26 -4.98 105.19 110.09 2k1r n GLY 66 Ca 0.14 -2.37 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.07 1.89 0.03 1.61 0.08 -1.26 -5.04 117.98 112.22 2k1r s PHE 67 Ca 0.45 -1.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.36 2k1r s PHE 67 Cb 0.19 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 2k1r s PHE 67 CO -0.12 -0.03 0.09 0.34 -0.10 0.00 0.00 175.22 175.39 2k1r s ASP 68 N -3.68 0.18 0.19 1.36 -1.08 -1.26 -4.77 116.67 107.61 2k1r s ASP 68 Ca 0.21 -0.52 -0.19 0.00 -0.52 0.00 0.00 52.55 51.53 2k1r s ASP 68 Cb 0.04 0.22 0.04 0.00 -1.46 0.00 0.00 42.92 41.75 2k1r s ASP 68 CO 0.11 -0.49 0.56 0.00 0.52 0.00 0.00 175.17 175.88 2k1r s ALA 69 N -2.49 -1.16 -0.11 3.66 0.00 -1.26 -1.14 121.76 119.26 2k1r s ALA 69 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2k1r s ALA 69 Cb -0.02 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.99 2k1r s ALA 69 CO -0.04 -0.82 0.28 0.08 0.00 0.00 0.00 175.76 175.27 2k1r s VAL 70 N -3.84 -0.02 0.14 0.00 1.01 0.42 -4.89 120.40 113.22 2k1r s VAL 70 Ca 0.07 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 2k1r s VAL 70 Cb -0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 2k1r s VAL 70 CO -0.05 0.03 1.33 -0.63 0.00 0.00 0.00 175.10 175.78 2k1r s ILE 71 N 0.67 3.35 0.00 2.22 1.01 -1.26 -0.63 121.20 126.57 2k1r s ILE 71 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2k1r s ILE 71 Cb -0.06 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2k1r s ILE 71 CO -0.04 0.11 0.00 1.57 0.00 0.00 0.00 174.94 176.58 2k1r n HIS 72 N 3.41 0.00 -0.14 3.97 -0.00 -0.43 -4.86 115.22 117.17 2k1r n HIS 72 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2k1r n HIS 72 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63