#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 -0.30 3.69 -5.12 0.00 -1.26 -5.07 105.19 97.14 2k1r n GLY 2 Ca 0.00 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.18 0.18 -4.19 1.61 0.24 -1.26 -4.39 118.33 110.34 2k1r n VAL 3 Ca 0.00 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.34 62.04 2k1r n VAL 3 Cb 0.00 -1.94 -0.06 0.00 -1.47 0.00 0.00 33.84 30.37 2k1r n VAL 3 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k1r s ASN 4 N 1.93 5.10 0.08 -1.34 0.02 -0.36 -4.99 114.94 115.38 2k1r s ASN 4 Ca 0.80 -0.42 -0.17 0.00 -1.02 0.00 0.00 52.86 52.04 2k1r s ASN 4 Cb -0.54 -1.16 0.04 0.00 0.02 0.00 0.00 41.25 39.60 2k1r s ASN 4 CO 0.37 -0.03 0.40 -0.94 0.02 0.00 0.00 177.10 176.92 2k1r s SER 5 N -3.77 -0.26 0.15 -1.22 1.04 -1.26 -0.99 113.70 107.39 2k1r s SER 5 Ca 0.32 -0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 2k1r s SER 5 Cb -0.07 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2k1r s SER 5 CO 0.23 -0.75 0.53 0.54 0.98 0.00 0.00 173.24 174.77 2k1r s VAL 6 N -3.09 0.02 -0.03 5.02 0.11 -0.75 -5.02 120.40 116.66 2k1r s VAL 6 Ca -0.01 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2k1r s VAL 6 Cb 0.00 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2k1r s VAL 6 CO -0.07 -0.11 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.46 2k1r s THR 7 N -3.78 1.96 -0.18 5.04 2.01 -1.26 -1.79 115.64 117.65 2k1r s THR 7 Ca 0.02 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2k1r s THR 7 Cb -0.00 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.91 2k1r s THR 7 CO -0.11 0.55 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 2k1r s ILE 8 N -0.41 0.99 -1.02 1.82 1.01 0.60 -0.62 121.20 123.57 2k1r s ILE 8 Ca 0.05 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 2k1r s ILE 8 Cb -0.11 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 2k1r s ILE 8 CO 0.01 0.02 1.94 -0.44 0.00 0.00 0.00 174.94 176.46 2k1r s SER 9 N 1.67 5.12 -0.83 3.58 0.01 0.74 -0.55 113.70 123.44 2k1r s SER 9 Ca -0.00 -1.08 -0.22 0.00 1.31 0.00 0.00 55.95 55.95 2k1r s SER 9 Cb -0.16 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.35 2k1r s SER 9 CO -0.07 -2.86 1.92 1.33 0.41 0.00 0.00 173.24 173.97 2k1r n VAL 10 N 7.83 1.82 0.56 3.43 0.24 -1.25 -2.06 118.33 128.90 2k1r n VAL 10 Ca 0.42 -1.65 0.04 0.00 -2.04 0.00 0.00 64.34 61.12 2k1r n VAL 10 Cb 0.47 -2.29 0.26 0.00 -1.47 0.00 0.00 33.84 30.81 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k1r n GLU 11 N 7.25 0.28 -0.18 7.34 1.02 -0.51 -2.00 120.64 133.84 2k1r n GLU 11 Ca 0.49 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 2k1r n GLU 11 Cb 0.42 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.52 2k1r n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k1r n GLY 12 N -0.44 1.98 3.20 0.62 0.00 -1.26 -4.68 105.19 104.61 2k1r n GLY 12 Ca 0.07 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.08 2.84 0.00 1.61 -2.45 -0.85 -4.78 119.30 114.59 2k1r s MET 13 Ca 0.29 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 2k1r s MET 13 Cb 0.16 -2.17 0.00 0.00 1.25 0.00 0.00 34.83 34.07 2k1r s MET 13 CO 0.21 0.17 0.00 -2.37 1.05 0.00 0.00 175.02 174.09 2k1r n THR 14 N 3.53 0.00 0.00 10.11 5.66 -1.26 -4.72 114.28 127.59 2k1r n THR 14 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2k1r n THR 14 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1r n ASN 16 N 0.00 0.22 0.00 0.00 5.15 -1.26 -5.02 115.26 114.35 2k1r n ASN 16 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2k1r n ASN 16 Cb 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2k1r n SER 17 N -3.05 0.12 -0.16 1.20 7.64 -1.26 -4.41 113.62 113.69 2k1r n SER 17 Ca 0.00 -1.04 -0.02 0.00 1.01 0.00 0.00 58.87 58.82 2k1r n SER 17 Cb 0.29 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.55 2k1r n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1r n VAL 19 N -5.17 -0.62 -0.26 0.00 0.31 -1.26 -1.60 118.33 109.73 2k1r n VAL 19 Ca 0.05 2.29 -0.04 0.00 -0.01 0.00 0.00 64.34 66.63 2k1r n VAL 19 Cb 0.26 -2.86 0.11 0.00 -0.91 0.00 0.00 33.84 30.43 2k1r n VAL 19 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2k1r h TRP 20 N 0.00 1.13 -0.83 3.52 7.01 -1.68 -2.83 115.95 122.27 2k1r h TRP 20 Ca 0.19 -0.07 0.06 0.00 2.11 0.00 0.00 58.89 61.18 2k1r h TRP 20 Cb 0.43 -0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 27.09 2k1r h TRP 20 CO -0.95 0.84 0.54 1.15 -2.79 0.00 0.00 178.44 177.23 2k1r h THR 21 N 1.11 1.05 -0.06 2.65 2.02 -0.12 -1.50 112.91 118.06 2k1r h THR 21 Ca 0.26 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2k1r h THR 21 Cb 0.17 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 2k1r h THR 21 CO -0.03 0.17 -0.12 0.40 0.37 0.00 0.00 175.52 176.31 2k1r h ILE 22 N 0.92 0.69 0.00 3.11 1.08 -1.14 -1.39 117.51 120.77 2k1r h ILE 22 Ca 0.35 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.74 2k1r h ILE 22 Cb 0.21 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2k1r h ILE 22 CO -0.13 0.00 -0.38 -0.08 -0.69 0.00 0.00 178.15 176.87 2k1r h GLU 23 N -0.17 0.00 0.61 2.37 4.81 -1.33 0.56 114.58 121.42 2k1r h GLU 23 Ca 0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2k1r h GLU 23 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k1r h GLU 23 CO -0.16 0.38 -0.29 1.96 -0.73 0.00 0.00 179.01 180.16 2k1r h GLN 24 N 0.00 -0.79 -0.15 1.92 1.08 -1.18 -2.90 115.11 113.09 2k1r h GLN 24 Ca -0.00 0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.06 2k1r h GLN 24 Cb 0.69 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2k1r h GLN 24 CO 0.05 -0.48 -0.68 1.96 -0.95 0.00 0.00 178.83 178.74 2k1r h GLN 25 N -1.04 0.60 0.02 1.46 1.08 -0.92 -3.29 115.11 113.03 2k1r h GLN 25 Ca -0.08 -0.45 -0.00 0.00 -1.45 0.00 0.00 58.65 56.67 2k1r h GLN 25 Cb 0.68 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2k1r h GLN 25 CO 0.14 1.07 -0.01 0.82 -0.95 0.00 0.00 178.83 179.90 2k1r h ILE 26 N 0.43 1.37 0.00 2.54 1.08 -1.06 -3.34 117.51 118.53 2k1r h ILE 26 Ca -0.02 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2k1r h ILE 26 Cb 1.26 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 2k1r h ILE 26 CO 0.13 0.31 0.04 0.61 -0.69 0.00 0.00 178.15 178.54 2k1r n GLY 27 N 0.30 -0.53 0.60 5.37 0.00 -1.09 -0.48 105.19 109.36 2k1r n GLY 27 Ca -0.09 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.59 1.17 -2.71 1.61 3.00 -1.25 -4.84 118.16 113.54 2k1r n LYS 28 Ca -0.00 -1.44 -0.42 0.00 -0.00 0.00 0.00 58.31 56.45 2k1r n LYS 28 Cb 0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 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 -1.17 4.09 0.29 3.15 1.01 0.37 -4.95 120.40 123.19 2k1r s VAL 29 Ca 0.18 0.21 0.14 0.00 0.00 0.00 0.00 61.98 62.51 2k1r s VAL 29 Cb 0.12 -4.74 0.28 0.00 0.00 0.00 0.00 36.38 32.05 2k1r s VAL 29 CO 0.18 -1.51 1.24 -3.20 0.00 0.00 0.00 175.10 171.82 2k1r n ASN 30 N 8.32 0.23 0.00 3.32 5.15 -1.26 -1.22 115.26 129.79 2k1r n ASN 30 Ca 0.01 1.31 0.13 0.00 -0.60 0.00 0.00 54.58 55.44 2k1r n ASN 30 Cb 0.48 -0.62 0.73 0.00 -0.53 0.00 0.00 39.78 39.84 2k1r n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k1r n GLY 31 N -1.23 -1.03 3.77 8.20 0.00 -1.26 -4.87 105.19 108.77 2k1r n GLY 31 Ca 0.28 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.33 3.22 -0.06 1.61 -7.23 -0.36 -0.58 120.40 114.67 2k1r s VAL 32 Ca 0.32 1.16 0.01 0.00 -1.81 0.00 0.00 61.98 61.66 2k1r s VAL 32 Cb 0.18 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 2k1r s VAL 32 CO 0.37 0.23 -0.05 1.57 -0.31 0.00 0.00 175.10 176.90 2k1r n HIS 33 N 0.74 0.00 -3.63 2.82 -0.00 0.14 -4.86 115.22 110.43 2k1r n HIS 33 Ca 0.01 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.14 2k1r n HIS 33 Cb 0.45 -0.24 -0.07 0.00 -0.12 0.00 0.00 29.99 30.01 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 -2.13 -1.08 -0.08 1.57 2.46 -0.31 -4.99 115.29 110.74 2k1r s HIS 34 Ca -0.08 1.89 -0.08 0.00 0.47 0.00 0.00 55.06 57.26 2k1r s HIS 34 Cb 0.02 0.54 -0.04 0.00 -0.13 0.00 0.00 32.58 32.97 2k1r s HIS 34 CO 0.15 -0.59 0.20 -1.50 -2.47 0.00 0.00 174.74 170.52 2k1r s ILE 35 N 2.75 5.41 -0.00 0.89 -1.16 -1.26 -0.88 121.20 126.95 2k1r s ILE 35 Ca -0.03 0.26 0.01 0.00 -0.51 0.00 0.00 60.65 60.38 2k1r s ILE 35 Cb -0.12 -3.48 -0.00 0.00 0.61 0.00 0.00 42.46 39.47 2k1r s ILE 35 CO -0.16 0.56 -0.05 -0.75 -2.81 0.00 0.00 174.94 171.73 2k1r s LYS 36 N -1.21 0.38 -0.02 3.50 2.47 -0.17 -5.01 119.74 119.67 2k1r s LYS 36 Ca 0.19 -0.16 0.03 0.00 -1.56 0.00 0.00 55.97 54.47 2k1r s LYS 36 Cb -0.13 -0.36 -0.00 0.00 -1.46 0.00 0.00 37.83 35.87 2k1r s LYS 36 CO 0.08 0.10 -0.11 0.14 0.16 0.00 0.00 175.35 175.72 2k1r s VAL 37 N -0.10 0.91 -0.26 4.02 -7.23 -1.26 -0.47 120.40 116.01 2k1r s VAL 37 Ca 0.02 -0.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2k1r s VAL 37 Cb -0.02 -0.78 0.03 0.00 0.56 0.00 0.00 36.38 36.17 2k1r s VAL 37 CO -0.00 0.27 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.59 2k1r s SER 38 N -0.05 4.53 0.08 4.85 0.01 0.06 -5.01 113.70 118.17 2k1r s SER 38 Ca 0.01 -0.89 0.11 0.00 1.31 0.00 0.00 55.95 56.49 2k1r s SER 38 Cb -0.07 -1.71 -0.17 0.00 0.21 0.00 0.00 66.02 64.28 2k1r s SER 38 CO 0.00 -0.15 1.03 0.17 0.41 0.00 0.00 173.24 174.70 2k1r h LEU 39 N 8.05 0.00 0.02 2.44 8.10 -1.88 -1.88 115.31 130.15 2k1r h LEU 39 Ca -0.31 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.31 2k1r h LEU 39 Cb 1.11 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.27 2k1r h LEU 39 CO 0.57 0.87 -2.30 -1.84 -4.11 0.00 0.00 178.44 171.64 2k1r n GLU 40 N -3.17 0.68 0.00 0.17 0.00 -1.26 -3.89 120.64 113.16 2k1r n GLU 40 Ca -0.07 0.13 0.13 0.00 0.00 0.00 0.00 57.16 57.35 2k1r n GLU 40 Cb 0.94 -1.58 0.76 0.00 0.00 0.00 0.00 31.44 31.56 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 -3.10 0.97 -3.70 3.44 1.02 -1.26 -4.98 120.64 113.03 2k1r n GLU 41 Ca -0.37 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.52 2k1r n GLU 41 Cb 1.06 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.91 -0.91 -3.80 3.49 5.02 -0.86 -4.98 118.16 115.21 2k1r n LYS 42 Ca 0.19 0.34 -0.09 0.00 -2.02 0.00 0.00 58.31 56.73 2k1r n LYS 42 Cb 0.09 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 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 -3.16 -0.24 -0.08 4.39 2.20 -0.77 -3.95 114.94 113.33 2k1r s ASN 43 Ca 0.14 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 2k1r s ASN 43 Cb -0.08 0.61 0.02 0.00 -2.00 0.00 0.00 41.25 39.80 2k1r s ASN 43 CO 0.72 -1.12 -0.07 0.00 -2.94 0.00 0.00 177.10 173.69 2k1r s ALA 44 N -3.90 1.12 -0.03 3.54 0.00 0.29 -0.76 121.76 122.02 2k1r s ALA 44 Ca 0.11 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2k1r s ALA 44 Cb -0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2k1r s ALA 44 CO 0.01 -0.22 -0.10 0.99 0.00 0.00 0.00 175.76 176.43 2k1r s THR 45 N 1.35 3.39 -0.12 0.00 2.01 0.39 -0.29 115.64 122.36 2k1r s THR 45 Ca -0.03 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 2k1r s THR 45 Cb -0.14 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 70.01 2k1r s THR 45 CO -0.03 0.51 0.38 -0.51 -0.69 0.00 0.00 174.62 174.28 2k1r s ILE 46 N -0.85 0.01 -0.18 1.82 2.07 -0.74 -1.00 121.20 122.33 2k1r s ILE 46 Ca 0.14 -0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 2k1r s ILE 46 Cb -0.11 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 2k1r s ILE 46 CO 0.03 -0.04 0.10 -0.63 -1.91 0.00 0.00 174.94 172.49 2k1r s ILE 47 N -0.09 5.19 0.10 2.00 1.01 -0.06 -1.81 121.20 127.55 2k1r s ILE 47 Ca -0.03 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 2k1r s ILE 47 Cb -0.03 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2k1r s ILE 47 CO 0.01 0.48 0.15 -0.72 0.00 0.00 0.00 174.94 174.86 2k1r s TYR 48 N 0.11 0.37 -0.11 3.97 -0.85 -0.16 -0.68 117.35 119.99 2k1r s TYR 48 Ca 0.08 -0.80 -0.17 0.00 -0.52 0.00 0.00 57.07 55.66 2k1r s TYR 48 Cb -0.12 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.00 2k1r s TYR 48 CO -0.00 -0.55 0.43 0.34 -1.52 0.00 0.00 175.55 174.25 2k1r s ASP 49 N -2.92 6.65 0.11 -0.18 2.15 0.25 -1.22 116.67 121.50 2k1r s ASP 49 Ca 0.10 0.77 0.23 0.00 0.43 0.00 0.00 52.55 54.08 2k1r s ASP 49 Cb 0.05 -2.26 0.90 0.00 -0.30 0.00 0.00 42.92 41.32 2k1r s ASP 49 CO -0.07 0.07 1.71 -0.81 -0.17 0.00 0.00 175.17 175.90 2k1r n PRO 50 N 3.40 0.10 0.15 4.34 -0.04 -1.26 -0.98 135.00 140.71 2k1r n PRO 50 Ca -0.09 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2k1r n PRO 50 Cb 0.52 -1.65 0.07 0.00 -0.04 0.00 0.00 33.50 32.39 2k1r n PRO 50 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k1r h LYS 51 N 0.00 0.00 0.00 0.54 1.57 -1.94 -3.40 116.57 113.33 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2k1r h LYS 51 CO 0.00 0.15 -0.32 1.28 -0.57 0.00 0.00 179.45 179.99 2k1r n LEU 52 N -3.01 0.00 -4.13 2.94 4.77 -1.10 -5.10 117.00 111.37 2k1r n LEU 52 Ca 0.01 -0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 2k1r n LEU 52 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 2k1r n LEU 52 CO 0.38 0.00 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.00 2k1r s GLN 53 N -0.95 0.79 0.09 3.23 -1.52 -0.15 -4.15 119.66 117.01 2k1r s GLN 53 Ca 0.00 -1.34 -0.17 0.00 -1.95 0.00 0.00 55.36 51.90 2k1r s GLN 53 Cb 0.00 0.13 0.04 0.00 -0.22 0.00 0.00 33.01 32.95 2k1r s GLN 53 CO 0.00 -0.15 0.40 0.95 -0.25 0.00 0.00 175.29 176.24 2k1r s THR 54 N -3.91 0.06 0.36 -0.19 -4.23 -1.26 -4.48 115.64 101.99 2k1r s THR 54 Ca 0.15 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2k1r s THR 54 Cb 0.07 -1.09 0.31 0.00 1.34 0.00 0.00 72.50 73.14 2k1r s THR 54 CO -0.04 -0.29 1.91 -0.65 -0.54 0.00 0.00 174.62 175.00 2k1r h PRO 55 N 2.61 0.69 -0.43 3.99 0.11 -1.99 -1.43 132.00 135.54 2k1r h PRO 55 Ca -0.33 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.75 2k1r h PRO 55 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2k1r h PRO 55 CO 0.46 0.46 0.28 -0.22 -0.21 0.00 0.00 178.00 178.77 2k1r h LYS 56 N 0.71 0.56 -0.50 1.05 3.64 -1.99 -2.11 116.57 117.93 2k1r h LYS 56 Ca 0.39 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 2k1r h LYS 56 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2k1r h LYS 56 CO -0.16 0.37 0.19 1.15 -2.27 0.00 0.00 179.45 178.74 2k1r h THR 57 N 0.58 1.19 -0.28 1.00 2.02 -1.71 -2.02 112.91 113.68 2k1r h THR 57 Ca 0.16 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 2k1r h THR 57 Cb -0.06 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k1r h THR 57 CO -0.04 0.23 0.16 -0.07 0.37 0.00 0.00 175.52 176.17 2k1r h LEU 58 N 0.72 0.34 -1.92 2.58 3.38 -0.95 -1.74 115.31 117.71 2k1r h LEU 58 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2k1r h LEU 58 Cb 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k1r h LEU 58 CO -0.02 0.31 -0.06 1.56 0.09 0.00 0.00 178.44 180.32 2k1r h GLN 59 N 0.35 0.00 -0.29 1.13 1.08 -0.88 -1.53 115.11 114.96 2k1r h GLN 59 Ca 0.10 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.13 2k1r h GLN 59 Cb 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2k1r h GLN 59 CO -0.02 0.06 -0.50 0.93 -0.95 0.00 0.00 178.83 178.35 2k1r h GLU 60 N 0.00 0.81 0.00 1.46 5.08 -0.96 -3.03 114.58 117.95 2k1r h GLU 60 Ca -0.00 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 2k1r h GLU 60 Cb 0.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k1r h GLU 60 CO 0.01 1.12 -0.48 0.00 -1.00 0.00 0.00 179.01 178.66 2k1r h ALA 61 N 0.79 1.17 0.00 3.43 0.00 -0.41 -2.62 119.26 121.61 2k1r h ALA 61 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2k1r h ALA 61 Cb 1.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2k1r h ALA 61 CO 0.11 0.59 -0.54 0.82 0.00 0.00 0.00 179.25 180.23 2k1r h ILE 62 N 0.00 1.24 0.00 0.00 1.08 -1.45 -3.24 117.51 115.14 2k1r h ILE 62 Ca -0.00 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 2k1r h ILE 62 Cb 0.86 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2k1r h ILE 62 CO 0.06 0.53 0.00 -0.67 -0.69 0.00 0.00 178.15 177.38 2k1r n ASP 63 N -3.67 0.00 0.03 1.72 2.03 -0.99 -1.76 116.55 113.90 2k1r n ASP 63 Ca -0.01 -0.05 0.09 0.00 0.52 0.00 0.00 54.79 55.34 2k1r n ASP 63 Cb 0.59 -0.27 0.39 0.00 -0.72 0.00 0.00 41.12 41.11 2k1r n ASP 63 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k1r n ASP 64 N -1.27 0.15 0.00 1.67 9.92 -1.19 -4.82 116.55 121.01 2k1r n ASP 64 Ca 0.10 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2k1r n ASP 64 Cb 0.16 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 2k1r n ASP 64 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2k1r n MET 65 N -1.66 0.61 -2.80 -1.24 2.81 -0.73 -5.12 117.12 108.99 2k1r n MET 65 Ca 0.04 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.82 2k1r n MET 65 Cb 0.21 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.80 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 1.09 3.31 3.03 0.00 -1.26 -5.12 105.19 111.25 2k1r n GLY 66 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.17 2.12 -1.25 1.61 0.08 -1.26 -4.90 117.98 114.20 2k1r s PHE 67 Ca 0.25 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.82 2k1r s PHE 67 Cb 0.30 -1.25 0.19 0.00 -0.57 0.00 0.00 43.02 41.69 2k1r s PHE 67 CO -0.06 0.14 1.88 -0.25 -0.10 0.00 0.00 175.22 176.83 2k1r n ASP 68 N 1.69 5.68 -4.71 1.36 8.00 -1.26 -4.78 116.55 122.52 2k1r n ASP 68 Ca -0.17 -3.17 -0.41 0.00 0.71 0.00 0.00 54.79 51.74 2k1r n ASP 68 Cb 0.53 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.16 2k1r n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1r s ALA 69 N -0.39 3.26 -0.01 2.24 0.00 -1.25 -1.42 121.76 124.19 2k1r s ALA 69 Ca 0.40 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k1r s ALA 69 Cb 0.10 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2k1r s ALA 69 CO 0.01 -0.23 -0.01 0.08 0.00 0.00 0.00 175.76 175.61 2k1r s VAL 70 N 1.05 0.12 0.06 0.00 1.01 -0.87 -4.96 120.40 116.81 2k1r s VAL 70 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2k1r s VAL 70 Cb -0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2k1r s VAL 70 CO 0.23 0.07 1.11 -0.63 0.00 0.00 0.00 175.10 175.87 2k1r s ILE 71 N 0.36 4.29 -0.41 2.22 1.01 -1.26 -0.18 121.20 127.23 2k1r s ILE 71 Ca -0.03 1.69 0.09 0.00 0.00 0.00 0.00 60.65 62.40 2k1r s ILE 71 Cb -0.05 -4.08 0.38 0.00 0.01 0.00 0.00 42.46 38.71 2k1r s ILE 71 CO -0.01 0.16 1.29 1.57 0.00 0.00 0.00 174.94 177.95 2k1r n HIS 72 N 3.68 -2.38 1.85 3.97 -0.00 0.21 -4.90 115.22 117.65 2k1r n HIS 72 Ca 0.07 -2.02 0.15 0.00 0.46 0.00 0.00 57.72 56.39 2k1r n HIS 72 Cb 0.48 1.51 0.82 0.00 -0.12 0.00 0.00 29.99 32.68 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09