#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvj n ASP 2 N 0.00 -1.41 0.09 6.12 8.00 -1.26 -4.82 116.55 123.27 1kvj n ASP 2 Ca 0.00 -0.99 0.11 0.00 0.71 0.00 0.00 54.79 54.62 1kvj n ASP 2 Cb 0.00 -3.22 0.45 0.00 -0.02 0.00 0.00 41.12 38.33 1kvj n ASP 2 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1kvj n PRO 3 N -4.35 0.16 -1.04 -0.24 -0.04 -1.26 -3.79 135.00 124.44 1kvj n PRO 3 Ca -0.27 0.33 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1kvj n PRO 3 Cb 0.67 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1kvj n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1kvj n SER 4 N -2.05 -0.54 -4.34 3.54 3.41 -1.26 -5.08 113.62 107.29 1kvj n SER 4 Ca 0.03 -1.92 -0.53 0.00 -0.26 0.00 0.00 58.87 56.19 1kvj n SER 4 Cb 0.25 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1kvj n SER 4 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1kvj n MET 5 N 0.09 0.12 0.00 4.33 1.56 -1.25 0.86 117.12 122.83 1kvj n MET 5 Ca -0.19 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.27 1kvj n MET 5 Cb 0.77 -1.63 0.00 0.00 2.15 0.00 0.00 33.22 34.50 1kvj n MET 5 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kvj n GLY 6 N 7.11 1.50 3.67 -5.12 0.00 -1.26 -5.09 105.19 106.00 1kvj n GLY 6 Ca 0.56 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 1kvj n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvj s VAL 7 N -1.63 4.08 0.46 1.61 1.01 0.25 -4.08 120.40 122.09 1kvj s VAL 7 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1kvj s VAL 7 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1kvj s VAL 7 CO 0.00 0.35 0.44 0.21 0.00 0.00 0.00 175.10 176.10 1kvj s ASN 8 N -1.63 5.02 -0.05 3.32 2.47 0.36 -4.87 114.94 119.56 1kvj s ASN 8 Ca 0.20 -0.83 0.02 0.00 0.42 0.00 0.00 52.86 52.67 1kvj s ASN 8 Cb -0.11 -0.31 0.01 0.00 -1.45 0.00 0.00 41.25 39.39 1kvj s ASN 8 CO 0.11 -0.82 -0.10 -0.55 -3.72 0.00 0.00 177.10 172.02 1kvj s SER 9 N -4.23 1.50 -0.06 -4.21 0.15 -1.26 -0.18 113.70 105.41 1kvj s SER 9 Ca 0.47 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1kvj s SER 9 Cb -0.04 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1kvj s SER 9 CO 0.28 0.02 -0.17 0.54 1.20 0.00 0.00 173.24 175.11 1kvj s VAL 10 N 0.62 1.47 -0.25 4.45 0.11 0.48 -4.95 120.40 122.34 1kvj s VAL 10 Ca -0.12 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 1kvj s VAL 10 Cb -0.14 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.41 1kvj s VAL 10 CO 0.02 0.43 0.03 -0.89 -3.33 0.00 0.00 175.10 171.36 1kvj s THR 11 N 0.29 3.90 -0.21 5.04 2.01 -1.26 0.67 115.64 126.08 1kvj s THR 11 Ca -0.10 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 1kvj s THR 11 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1kvj s THR 11 CO 0.04 0.33 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.63 1kvj s ILE 12 N 1.55 3.54 0.15 1.82 1.01 0.67 0.11 121.20 130.05 1kvj s ILE 12 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1kvj s ILE 12 Cb -0.15 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.65 1kvj s ILE 12 CO 0.01 0.43 0.98 -0.44 0.00 0.00 0.00 174.94 175.91 1kvj s SER 13 N 1.26 7.50 -0.05 3.58 0.01 -1.01 -0.21 113.70 124.77 1kvj s SER 13 Ca 0.03 1.88 0.02 0.00 1.31 0.00 0.00 55.95 59.19 1kvj s SER 13 Cb -0.14 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1kvj s SER 13 CO -0.01 -0.03 -0.09 -0.69 0.41 0.00 0.00 173.24 172.83 1kvj s VAL 14 N -0.32 0.87 0.27 3.43 1.01 -1.20 0.01 120.40 124.46 1kvj s VAL 14 Ca 0.46 -0.32 0.12 0.00 0.00 0.00 0.00 61.98 62.23 1kvj s VAL 14 Cb -0.25 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1kvj s VAL 14 CO 0.31 0.29 -0.19 -0.70 0.00 0.00 0.00 175.10 174.82 1kvj s GLU 15 N 0.74 1.71 0.00 2.72 2.56 0.54 -4.27 118.70 122.71 1kvj s GLU 15 Ca -0.13 -1.73 0.00 0.00 0.00 0.00 0.00 54.97 53.11 1kvj s GLU 15 Cb -0.15 -1.80 0.00 0.00 2.00 0.00 0.00 34.13 34.17 1kvj s GLU 15 CO 0.02 0.34 0.00 0.41 -0.56 0.00 0.00 175.26 175.47 1kvj n GLY 16 N -0.58 2.96 3.68 -1.50 0.00 -1.26 -3.59 105.19 104.90 1kvj n GLY 16 Ca -0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1kvj n GLY 16 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1kvj s MET 17 N 0.00 4.16 0.00 1.61 0.23 -1.26 -4.87 119.30 119.17 1kvj s MET 17 Ca 0.00 2.48 0.00 0.00 -1.03 0.00 0.00 55.69 57.14 1kvj s MET 17 Cb 0.00 -3.85 0.00 0.00 -1.53 0.00 0.00 34.83 29.45 1kvj s MET 17 CO 0.00 -0.86 0.66 0.25 -2.03 0.00 0.00 175.02 173.04 1kvj n THR 18 N 5.12 0.43 -3.59 3.16 -2.24 -1.26 -4.99 114.28 110.91 1kvj n THR 18 Ca 0.18 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1kvj n THR 18 Cb 0.40 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1kvj n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvj n ASN 20 N 1.53 0.09 0.33 0.00 4.13 -1.26 0.17 115.26 120.25 1kvj n ASN 20 Ca -0.13 0.48 0.13 0.00 1.68 0.00 0.00 54.58 56.74 1kvj n ASN 20 Cb 0.57 -0.23 0.68 0.00 -1.54 0.00 0.00 39.78 39.26 1kvj n ASN 20 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1kvj h SER 21 N 0.00 0.00 0.85 6.41 4.64 -1.98 0.98 113.55 124.45 1kvj h SER 21 Ca 0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1kvj h SER 21 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1kvj h SER 21 CO -0.23 0.00 -1.17 0.00 -0.87 0.00 0.00 176.83 174.56 1kvj n VAL 23 N -2.66 1.71 0.19 0.00 3.14 0.30 -2.20 118.33 118.81 1kvj n VAL 23 Ca -0.02 -0.72 0.08 0.00 -2.96 0.00 0.00 64.34 60.72 1kvj n VAL 23 Cb 0.60 -1.43 0.15 0.00 -1.06 0.00 0.00 33.84 32.09 1kvj n VAL 23 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1kvj h TRP 24 N 0.04 0.00 0.00 1.45 7.01 -0.64 0.64 115.95 124.45 1kvj h TRP 24 Ca -0.36 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.45 1kvj h TRP 24 Cb 2.03 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 29.05 1kvj h TRP 24 CO 0.04 0.24 -1.23 0.00 -2.79 0.00 0.00 178.44 174.70 1kvj h THR 25 N 0.00 0.90 0.00 2.65 1.03 -1.61 -2.21 112.91 113.67 1kvj h THR 25 Ca -0.00 -2.51 -0.15 0.00 -0.01 0.00 0.00 66.41 63.74 1kvj h THR 25 Cb 1.13 2.37 -0.03 0.00 -1.07 0.00 0.00 68.15 70.56 1kvj h THR 25 CO 0.03 0.51 -1.42 -0.38 -0.01 0.00 0.00 175.52 174.26 1kvj n ILE 26 N -3.09 1.10 0.09 0.00 2.08 -0.94 -2.02 119.36 116.59 1kvj n ILE 26 Ca -0.07 -0.68 -0.15 0.00 0.56 0.00 0.00 62.75 62.41 1kvj n ILE 26 Cb 0.90 -0.67 -0.14 0.00 -0.75 0.00 0.00 39.64 38.98 1kvj n ILE 26 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1kvj h GLU 27 N 0.00 0.23 -0.06 0.38 4.81 -0.99 -2.09 114.58 116.86 1kvj h GLU 27 Ca -0.15 -0.39 -0.16 0.00 -0.13 0.00 0.00 59.36 58.53 1kvj h GLU 27 Cb 1.53 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1kvj h GLU 27 CO 0.04 1.15 -0.67 0.37 -0.73 0.00 0.00 179.01 179.17 1kvj h GLN 28 N 0.06 0.25 0.16 1.92 5.75 -1.50 0.66 115.11 122.41 1kvj h GLN 28 Ca -0.15 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1kvj h GLN 28 Cb 1.96 0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.55 1kvj h GLN 28 CO 0.18 0.83 -0.08 0.37 -2.65 0.00 0.00 178.83 177.49 1kvj h GLN 29 N 0.17 -0.20 -0.32 1.69 5.75 -1.38 -2.72 115.11 118.10 1kvj h GLN 29 Ca -0.02 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1kvj h GLN 29 Cb 1.21 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1kvj h GLN 29 CO 0.10 -0.14 0.09 0.82 -2.65 0.00 0.00 178.83 177.06 1kvj h ILE 30 N -0.39 1.21 -0.98 2.39 2.04 -1.50 0.64 117.51 120.92 1kvj h ILE 30 Ca -0.02 -0.70 0.24 0.00 1.00 0.00 0.00 64.86 65.39 1kvj h ILE 30 Cb 0.16 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1kvj h ILE 30 CO 0.04 0.23 0.65 1.23 0.00 0.00 0.00 178.15 180.30 1kvj h GLY 31 N 0.35 0.81 -1.66 5.37 0.00 -1.00 -2.32 103.07 104.63 1kvj h GLY 31 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1kvj h GLY 31 CO -0.00 -0.05 -0.68 0.28 0.00 0.00 0.00 176.54 176.09 1kvj n LYS 32 N -4.49 1.05 -0.04 4.80 5.02 -0.97 -4.77 118.16 118.76 1kvj n LYS 32 Ca 0.22 -2.86 -0.14 0.00 -2.02 0.00 0.00 58.31 53.51 1kvj n LYS 32 Cb 0.84 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.66 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1kvj h VAL 33 N 3.01 1.60 0.00 -0.18 3.04 0.87 -3.48 116.25 121.11 1kvj h VAL 33 Ca -0.08 -1.79 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 1kvj h VAL 33 Cb 1.30 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 33.39 1kvj h VAL 33 CO 0.03 0.47 0.00 -3.20 -1.01 0.00 0.00 177.57 173.86 1kvj n ASN 34 N -4.71 -0.33 -3.29 3.17 2.85 -1.26 -5.04 115.26 106.64 1kvj n ASN 34 Ca -0.09 0.52 -0.26 0.00 -0.11 0.00 0.00 54.58 54.63 1kvj n ASN 34 Cb 0.38 0.76 -0.07 0.00 1.24 0.00 0.00 39.78 42.09 1kvj n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kvj n GLY 35 N -1.05 4.72 2.56 8.20 0.00 -1.26 -4.96 105.19 113.40 1kvj n GLY 35 Ca 0.00 -2.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.12 1kvj n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvj s VAL 36 N -2.73 0.50 0.55 1.61 1.01 -1.26 -3.68 120.40 116.40 1kvj s VAL 36 Ca 0.41 -1.75 0.30 0.00 0.00 0.00 0.00 61.98 60.94 1kvj s VAL 36 Cb 0.18 -1.37 0.45 0.00 0.00 0.00 0.00 36.38 35.65 1kvj s VAL 36 CO -0.05 -0.90 1.90 0.45 0.00 0.00 0.00 175.10 176.50 1kvj h HIS 37 N 7.25 0.00 -1.43 5.22 3.86 -1.90 -3.43 115.15 124.72 1kvj h HIS 37 Ca -0.01 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1kvj h HIS 37 Cb 0.97 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.18 1kvj h HIS 37 CO 0.42 0.00 0.62 -3.38 0.86 0.00 0.00 177.93 176.46 1kvj s HIS 38 N -4.92 -0.31 0.05 2.45 -3.43 -1.26 -5.09 115.29 102.78 1kvj s HIS 38 Ca -0.05 0.64 0.09 0.00 -0.80 0.00 0.00 55.06 54.95 1kvj s HIS 38 Cb 0.20 0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1kvj s HIS 38 CO 0.73 -0.22 -0.25 -1.50 -2.00 0.00 0.00 174.74 171.50 1kvj s ILE 39 N -0.51 2.04 -0.33 -5.38 -1.16 -1.26 -2.91 121.20 111.68 1kvj s ILE 39 Ca 0.03 -1.37 0.03 0.00 -0.51 0.00 0.00 60.65 58.82 1kvj s ILE 39 Cb -0.03 -1.76 0.10 0.00 0.61 0.00 0.00 42.46 41.39 1kvj s ILE 39 CO -0.05 0.31 0.06 -0.75 -2.81 0.00 0.00 174.94 171.70 1kvj s LYS 40 N -1.28 1.35 0.17 3.50 2.47 0.39 -4.96 119.74 121.38 1kvj s LYS 40 Ca 0.11 -1.72 0.06 0.00 -1.56 0.00 0.00 55.97 52.86 1kvj s LYS 40 Cb -0.10 -2.98 -0.04 0.00 -1.46 0.00 0.00 37.83 33.25 1kvj s LYS 40 CO 0.02 -0.94 0.05 0.54 0.16 0.00 0.00 175.35 175.18 1kvj s VAL 41 N 1.04 4.00 -0.41 4.02 0.11 -1.26 0.15 120.40 128.05 1kvj s VAL 41 Ca 0.10 -1.29 0.04 0.00 -2.93 0.00 0.00 61.98 57.90 1kvj s VAL 41 Cb -0.19 -3.02 0.18 0.00 -1.53 0.00 0.00 36.38 31.81 1kvj s VAL 41 CO -0.11 -0.11 0.35 -1.20 -3.33 0.00 0.00 175.10 170.71 1kvj n SER 42 N -0.19 -0.44 -0.43 3.54 7.64 0.70 -4.96 113.62 119.48 1kvj n SER 42 Ca -0.09 -2.40 0.37 0.00 1.01 0.00 0.00 58.87 57.76 1kvj n SER 42 Cb 0.55 -0.56 0.70 0.00 -1.01 0.00 0.00 64.21 63.89 1kvj n SER 42 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1kvj h LEU 43 N 5.52 0.14 0.07 -3.43 5.85 -1.94 0.25 115.31 121.77 1kvj h LEU 43 Ca 0.26 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1kvj h LEU 43 Cb 0.91 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1kvj h LEU 43 CO 0.38 -0.03 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.09 1kvj h GLU 44 N 0.10 -0.09 0.00 1.25 3.07 -1.93 -2.80 114.58 114.17 1kvj h GLU 44 Ca 0.70 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1kvj h GLU 44 Cb 2.49 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.42 1kvj h GLU 44 CO -0.16 0.43 0.00 0.39 -1.40 0.00 0.00 179.01 178.27 1kvj n GLU 45 N -4.86 0.67 -3.69 2.33 4.71 0.03 -4.89 120.64 114.94 1kvj n GLU 45 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.80 1kvj n GLU 45 Cb 0.29 -1.43 0.03 0.00 -1.01 0.00 0.00 31.44 29.32 1kvj n GLU 45 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1kvj n LYS 46 N -0.93 -2.44 -3.55 3.49 3.00 0.68 -4.98 118.16 113.42 1kvj n LYS 46 Ca 0.14 0.52 -0.07 0.00 -0.00 0.00 0.00 58.31 58.90 1kvj n LYS 46 Cb 0.06 -4.57 -0.02 0.00 0.00 0.00 0.00 35.03 30.50 1kvj n LYS 46 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1kvj s ASN 47 N -3.80 -0.25 -0.07 3.14 3.84 -1.17 -3.26 114.94 113.36 1kvj s ASN 47 Ca 0.29 0.04 -0.05 0.00 0.21 0.00 0.00 52.86 53.35 1kvj s ASN 47 Cb -0.10 0.26 0.02 0.00 -0.55 0.00 0.00 41.25 40.89 1kvj s ASN 47 CO 0.84 -0.41 0.17 0.00 -2.79 0.00 0.00 177.10 174.91 1kvj s ALA 48 N -2.57 -0.39 -0.04 1.71 0.00 0.71 -0.21 121.76 120.97 1kvj s ALA 48 Ca 0.06 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1kvj s ALA 48 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1kvj s ALA 48 CO -0.06 -0.10 -0.16 -0.08 0.00 0.00 0.00 175.76 175.36 1kvj s THR 49 N 0.37 1.30 0.19 0.00 -1.32 0.41 0.24 115.64 116.83 1kvj s THR 49 Ca -0.02 -0.65 -0.06 0.00 -1.21 0.00 0.00 61.69 59.74 1kvj s THR 49 Cb -0.04 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1kvj s THR 49 CO -0.02 0.38 0.24 0.27 -2.21 0.00 0.00 174.62 173.29 1kvj s ILE 50 N 0.03 0.04 0.40 5.08 -5.25 0.21 0.15 121.20 121.86 1kvj s ILE 50 Ca -0.03 -1.65 0.08 0.00 -0.99 0.00 0.00 60.65 58.05 1kvj s ILE 50 Cb -0.11 -2.14 -0.03 0.00 2.95 0.00 0.00 42.46 43.13 1kvj s ILE 50 CO 0.02 -0.18 0.30 0.27 -1.79 0.00 0.00 174.94 173.56 1kvj s ILE 51 N -4.05 2.65 -0.08 8.37 -0.00 -1.15 0.18 121.20 127.13 1kvj s ILE 51 Ca 0.26 -1.47 -0.31 0.00 -0.00 0.00 0.00 60.65 59.12 1kvj s ILE 51 Cb 0.04 -3.01 0.12 0.00 -0.00 0.00 0.00 42.46 39.61 1kvj s ILE 51 CO 0.06 -0.03 1.02 -0.72 -0.00 0.00 0.00 174.94 175.27 1kvj s TYR 52 N -2.49 -0.26 -0.29 1.37 1.13 0.75 -4.08 117.35 113.49 1kvj s TYR 52 Ca 0.45 0.17 -0.29 0.00 -1.41 0.00 0.00 57.07 55.99 1kvj s TYR 52 Cb -0.01 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 1kvj s TYR 52 CO 0.26 -0.40 1.10 0.16 -2.51 0.00 0.00 175.55 174.16 1kvj s ASP 53 N -2.32 6.95 -0.65 -0.18 -4.77 -1.24 0.14 116.67 114.59 1kvj s ASP 53 Ca 0.07 1.19 -0.16 0.00 -3.30 0.00 0.00 52.55 50.34 1kvj s ASP 53 Cb -0.01 -2.54 -0.14 0.00 -1.09 0.00 0.00 42.92 39.14 1kvj s ASP 53 CO -0.07 -0.84 1.85 -0.81 0.70 0.00 0.00 175.17 176.00 1kvj n PRO 54 N 6.77 1.36 0.11 2.11 -0.04 -1.26 -2.40 135.00 141.64 1kvj n PRO 54 Ca 0.12 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1kvj n PRO 54 Cb 0.47 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1kvj n PRO 54 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1kvj n LYS 55 N 6.13 0.00 -0.11 0.54 2.85 -1.26 -4.98 118.16 121.33 1kvj n LYS 55 Ca 0.43 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.49 1kvj n LYS 55 Cb 0.29 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.55 1kvj n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1kvj n LEU 56 N -2.93 2.79 -4.76 -5.58 0.00 -1.13 -4.95 117.00 100.44 1kvj n LEU 56 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 56.01 55.63 1kvj n LEU 56 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 43.42 42.41 1kvj n LEU 56 CO 0.00 0.87 -0.25 -1.58 0.00 0.00 0.00 177.39 176.43 1kvj s GLN 57 N -2.52 3.16 0.22 1.96 2.00 -1.01 -5.00 119.66 118.48 1kvj s GLN 57 Ca -0.34 -0.31 -0.00 0.00 -2.00 0.00 0.00 55.36 52.71 1kvj s GLN 57 Cb 0.09 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 1kvj s GLN 57 CO 0.61 0.73 0.18 0.95 -0.50 0.00 0.00 175.29 177.25 1kvj s THR 58 N -0.96 0.00 0.44 -0.34 -4.23 -1.26 -4.26 115.64 105.03 1kvj s THR 58 Ca 0.15 -1.96 0.40 0.00 -1.18 0.00 0.00 61.69 59.09 1kvj s THR 58 Cb -0.12 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.66 1kvj s THR 58 CO 0.04 0.00 2.21 1.55 -0.54 0.00 0.00 174.62 177.88 1kvj h PRO 59 N 2.52 0.00 0.01 3.99 0.13 -1.84 0.48 132.00 137.29 1kvj h PRO 59 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 1kvj h PRO 59 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1kvj h PRO 59 CO 0.49 0.01 -0.89 -0.22 -0.23 0.00 0.00 178.00 177.16 1kvj h LYS 60 N 0.00 0.09 0.00 0.86 3.11 -1.92 0.79 116.57 119.50 1kvj h LYS 60 Ca -0.00 -0.11 -0.14 0.00 -2.81 0.00 0.00 60.65 57.59 1kvj h LYS 60 Cb 0.21 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 1kvj h LYS 60 CO 0.00 0.92 -1.11 1.79 -2.81 0.00 0.00 179.45 178.24 1kvj h THR 61 N 0.04 0.61 0.00 1.00 1.35 -1.42 -0.57 112.91 113.93 1kvj h THR 61 Ca -0.03 -2.05 -0.12 0.00 -0.55 0.00 0.00 66.41 63.66 1kvj h THR 61 Cb 1.55 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 70.10 1kvj h THR 61 CO 0.13 0.35 -0.56 -0.07 -0.25 0.00 0.00 175.52 175.11 1kvj h LEU 62 N 0.00 0.00 0.00 3.87 3.38 -0.05 0.25 115.31 122.76 1kvj h LEU 62 Ca -0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1kvj h LEU 62 Cb 1.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1kvj h LEU 62 CO 0.05 0.56 -0.98 -0.61 0.09 0.00 0.00 178.44 177.56 1kvj h GLN 63 N 0.00 0.00 0.00 1.13 5.75 -0.83 -2.13 115.11 119.04 1kvj h GLN 63 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1kvj h GLN 63 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1kvj h GLN 63 CO 0.07 0.32 -0.55 1.05 -2.65 0.00 0.00 178.83 177.07 1kvj h GLU 64 N 0.00 0.00 0.00 1.69 4.11 -0.83 -0.12 114.58 119.43 1kvj h GLU 64 Ca -0.08 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.12 1kvj h GLU 64 Cb 1.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 1kvj h GLU 64 CO 0.05 0.00 -1.56 0.00 0.07 0.00 0.00 179.01 177.57 1kvj n ALA 65 N -1.85 1.70 0.05 1.06 0.00 0.85 -1.67 120.51 120.65 1kvj n ALA 65 Ca 0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 1kvj n ALA 65 Cb 0.45 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1kvj n ALA 65 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1kvj h ILE 66 N 0.00 0.92 0.00 0.00 6.09 -1.39 -2.52 117.51 120.60 1kvj h ILE 66 Ca -0.22 -2.56 -0.12 0.00 -1.37 0.00 0.00 64.86 60.58 1kvj h ILE 66 Cb 1.80 2.69 -0.02 0.00 0.47 0.00 0.00 36.82 41.77 1kvj h ILE 66 CO 0.06 0.83 -0.58 0.44 -3.07 0.00 0.00 178.15 175.84 1kvj h ASP 67 N 0.08 0.00 -0.35 2.19 3.32 -1.15 -2.87 116.42 117.65 1kvj h ASP 67 Ca -0.33 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.59 1kvj h ASP 67 Cb 2.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.60 1kvj h ASP 67 CO 0.15 0.58 -0.29 -0.78 -1.72 0.00 0.00 179.24 177.18 1kvj h ASP 68 N 0.00 0.86 -0.48 6.45 3.58 -1.38 -3.14 116.42 122.31 1kvj h ASP 68 Ca -0.01 -0.45 0.07 0.00 0.42 0.00 0.00 57.03 57.06 1kvj h ASP 68 Cb 1.04 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.80 1kvj h ASP 68 CO 0.08 1.13 0.16 -0.03 -2.88 0.00 0.00 179.24 177.70 1kvj h MET 69 N 0.60 0.32 0.00 0.28 4.05 -1.24 -3.47 114.93 115.48 1kvj h MET 69 Ca 0.06 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1kvj h MET 69 Cb 0.87 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1kvj h MET 69 CO 0.08 0.21 0.00 0.41 0.23 0.00 0.00 176.91 177.84 1kvj n GLY 70 N -1.26 1.10 2.88 1.39 0.00 -1.11 -5.11 105.19 103.08 1kvj n GLY 70 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1kvj n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kvj s PHE 71 N -1.89 1.22 -0.22 1.61 0.08 -1.20 -5.06 117.98 112.52 1kvj s PHE 71 Ca 0.00 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 1kvj s PHE 71 Cb 0.00 -1.07 -0.06 0.00 -0.57 0.00 0.00 43.02 41.32 1kvj s PHE 71 CO 0.00 -0.42 2.21 -3.47 -0.10 0.00 0.00 175.22 173.44 1kvj n ASP 72 N 4.82 3.17 -4.51 1.36 2.03 -1.24 -4.50 116.55 117.69 1kvj n ASP 72 Ca -0.13 0.25 -0.24 0.00 0.52 0.00 0.00 54.79 55.19 1kvj n ASP 72 Cb 0.50 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.27 1kvj n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvj s ALA 73 N 8.10 2.68 -0.36 -1.67 0.00 -1.26 -0.34 121.76 128.91 1kvj s ALA 73 Ca 1.01 -2.11 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1kvj s ALA 73 Cb -0.39 0.32 0.16 0.00 0.00 0.00 0.00 23.12 23.20 1kvj s ALA 73 CO 0.37 -0.15 0.39 0.54 0.00 0.00 0.00 175.76 176.91 1kvj s VAL 74 N -2.97 -0.41 0.40 0.00 0.11 0.10 -4.95 120.40 112.69 1kvj s VAL 74 Ca 0.34 -0.83 -0.25 0.00 -2.93 0.00 0.00 61.98 58.32 1kvj s VAL 74 Cb 0.07 -0.67 -0.11 0.00 -1.53 0.00 0.00 36.38 34.14 1kvj s VAL 74 CO 0.16 -0.51 0.96 0.00 -3.33 0.00 0.00 175.10 172.38 1kvj n ILE 75 N 4.41 2.33 -0.25 7.04 3.06 -1.26 -2.41 119.36 132.29 1kvj n ILE 75 Ca 0.09 -0.50 0.06 0.00 -2.50 0.00 0.00 62.75 59.91 1kvj n ILE 75 Cb 0.46 -1.07 0.18 0.00 0.54 0.00 0.00 39.64 39.75 1kvj n ILE 75 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1kvj n HIS 76 N -0.45 0.55 -3.76 9.51 -0.00 0.29 -4.83 115.22 116.55 1kvj n HIS 76 Ca 0.10 -0.52 -0.30 0.00 0.46 0.00 0.00 57.72 57.46 1kvj n HIS 76 Cb 0.38 -0.04 -0.15 0.00 -0.12 0.00 0.00 29.99 30.06 1kvj n HIS 76 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1kvj s ASN 77 N -1.05 4.08 -0.14 0.26 -0.87 -1.24 -4.81 114.94 111.16 1kvj s ASN 77 Ca 0.27 -1.67 -0.03 0.00 -1.57 0.00 0.00 52.86 49.86 1kvj s ASN 77 Cb 0.15 -0.92 -0.07 0.00 -0.02 0.00 0.00 41.25 40.38 1kvj s ASN 77 CO 0.17 -0.41 2.86 -0.81 -2.57 0.00 0.00 177.10 176.34 1kvj n PRO 78 N 4.80 1.83 0.00 -0.60 -0.04 -1.26 -4.70 135.00 135.04 1kvj n PRO 78 Ca -0.02 -1.14 0.02 0.00 -0.04 0.00 0.00 63.50 62.32 1kvj n PRO 78 Cb 0.42 -1.75 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 1kvj n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21