#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 -5.61 0.20 6.12 8.00 -1.26 -4.84 116.55 119.16 1kvj n ASP 2 Ca 0.00 -0.79 0.15 0.00 0.71 0.00 0.00 54.79 54.85 1kvj n ASP 2 Cb 0.00 -2.93 0.56 0.00 -0.02 0.00 0.00 41.12 38.73 1kvj n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1kvj h PRO 3 N -0.67 0.00 0.00 -0.24 0.13 -2.06 -3.28 132.00 125.89 1kvj h PRO 3 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1kvj h PRO 3 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1kvj h PRO 3 CO 0.39 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.03 1kvj n SER 4 N -2.69 0.15 -2.99 1.44 3.41 -1.26 -4.52 113.62 107.17 1kvj n SER 4 Ca 0.02 -0.78 -0.17 0.00 -0.26 0.00 0.00 58.87 57.68 1kvj n SER 4 Cb 0.29 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1kvj n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1kvj n MET 5 N -0.05 -2.91 -2.17 4.33 2.81 -1.24 0.23 117.12 118.11 1kvj n MET 5 Ca 0.00 0.46 -0.16 0.00 -1.81 0.00 0.00 57.70 56.19 1kvj n MET 5 Cb 0.15 -5.10 -0.02 0.00 -0.71 0.00 0.00 33.22 27.54 1kvj n MET 5 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kvj n GLY 6 N -0.98 0.01 0.82 3.03 0.00 -1.26 -4.71 105.19 102.11 1kvj n GLY 6 Ca -0.05 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1kvj n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kvj n VAL 7 N -3.78 -0.72 -4.47 1.61 0.31 0.13 -5.03 118.33 106.38 1kvj n VAL 7 Ca -0.19 0.59 -0.23 0.00 -0.01 0.00 0.00 64.34 64.51 1kvj n VAL 7 Cb 0.63 -0.91 -0.10 0.00 -0.91 0.00 0.00 33.84 32.55 1kvj n VAL 7 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1kvj s ASN 8 N -5.60 2.97 0.06 4.52 -0.87 0.21 -4.92 114.94 111.31 1kvj s ASN 8 Ca 0.00 -1.24 0.10 0.00 -1.57 0.00 0.00 52.86 50.14 1kvj s ASN 8 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.25 40.99 1kvj s ASN 8 CO 0.00 -0.38 -0.26 -0.44 -2.57 0.00 0.00 177.10 173.45 1kvj s SER 9 N -3.51 3.16 -0.00 -1.22 0.01 -1.26 0.12 113.70 111.00 1kvj s SER 9 Ca 0.32 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1kvj s SER 9 Cb 0.05 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1kvj s SER 9 CO 0.14 0.23 -0.08 -0.69 0.41 0.00 0.00 173.24 173.26 1kvj s VAL 10 N -0.87 0.60 -0.10 3.43 1.01 0.50 -4.95 120.40 120.02 1kvj s VAL 10 Ca 0.12 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1kvj s VAL 10 Cb -0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1kvj s VAL 10 CO 0.03 0.12 -0.22 -0.89 0.00 0.00 0.00 175.10 174.14 1kvj s THR 11 N -0.29 2.24 -0.07 3.92 2.01 -1.26 0.13 115.64 122.33 1kvj s THR 11 Ca 0.02 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1kvj s THR 11 Cb -0.04 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 1kvj s THR 11 CO -0.00 0.55 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 1kvj s ILE 12 N 0.31 1.77 -0.31 1.82 1.01 0.52 0.06 121.20 126.38 1kvj s ILE 12 Ca -0.17 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.38 1kvj s ILE 12 Cb -0.17 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1kvj s ILE 12 CO 0.08 0.50 0.74 -0.55 0.00 0.00 0.00 174.94 175.71 1kvj s SER 13 N 0.15 6.61 -0.33 3.58 0.15 -0.89 0.22 113.70 123.18 1kvj s SER 13 Ca -0.10 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.10 1kvj s SER 13 Cb -0.15 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1kvj s SER 13 CO 0.05 -0.57 0.08 0.54 1.20 0.00 0.00 173.24 174.53 1kvj s VAL 14 N 2.85 3.38 -0.12 4.45 0.11 -0.35 0.09 120.40 130.80 1kvj s VAL 14 Ca 0.30 -1.38 0.09 0.00 -2.93 0.00 0.00 61.98 58.06 1kvj s VAL 14 Cb -0.14 -2.99 -0.14 0.00 -1.53 0.00 0.00 36.38 31.58 1kvj s VAL 14 CO 0.12 -0.23 0.00 -0.62 -3.33 0.00 0.00 175.10 171.05 1kvj n GLU 15 N 4.70 1.71 -0.02 1.54 -0.58 -0.16 -3.61 120.64 124.22 1kvj n GLU 15 Ca -0.11 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1kvj n GLU 15 Cb 0.44 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1kvj n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kvj n GLY 16 N 2.38 1.05 1.28 0.62 0.00 -0.76 -4.80 105.19 104.97 1kvj n GLY 16 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1kvj n GLY 16 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1kvj n MET 17 N 0.85 0.27 0.00 1.61 0.00 -1.26 -4.40 117.12 114.19 1kvj n MET 17 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 57.70 56.83 1kvj n MET 17 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1kvj n MET 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1kvj n THR 18 N -1.97 0.00 -3.87 3.17 -2.24 -1.26 -5.09 114.28 103.03 1kvj n THR 18 Ca 0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 1kvj n THR 18 Cb 0.19 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1kvj n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvj h ASN 20 N 2.00 0.08 -0.37 0.00 4.21 -1.98 1.11 115.58 120.62 1kvj h ASN 20 Ca -0.24 0.04 0.11 0.00 1.21 0.00 0.00 56.30 57.41 1kvj h ASN 20 Cb 1.18 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1kvj h ASN 20 CO 0.29 -0.04 0.38 0.77 -1.29 0.00 0.00 177.43 177.54 1kvj h SER 21 N 0.04 0.00 0.60 5.81 4.64 -1.98 1.93 113.55 124.59 1kvj h SER 21 Ca 0.79 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.93 1kvj h SER 21 Cb 2.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 65.02 1kvj h SER 21 CO -0.12 0.00 -1.53 0.00 -0.87 0.00 0.00 176.83 174.32 1kvj h VAL 23 N 0.00 1.36 -0.91 0.00 2.07 -0.31 -1.71 116.25 116.75 1kvj h VAL 23 Ca -0.19 -2.58 -0.00 0.00 0.82 0.00 0.00 66.70 64.75 1kvj h VAL 23 Cb 1.61 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 34.36 1kvj h VAL 23 CO 0.04 0.76 0.56 -0.50 0.02 0.00 0.00 177.57 178.45 1kvj h TRP 24 N -0.01 1.20 -0.06 1.57 6.55 0.27 1.14 115.95 126.61 1kvj h TRP 24 Ca -0.20 -0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.56 1kvj h TRP 24 Cb 1.93 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 29.83 1kvj h TRP 24 CO 0.15 0.79 -0.31 1.15 -1.05 0.00 0.00 178.44 179.18 1kvj h THR 25 N 1.26 1.24 0.00 1.49 2.02 -1.39 0.16 112.91 117.69 1kvj h THR 25 Ca 0.33 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1kvj h THR 25 Cb -0.06 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1kvj h THR 25 CO -0.06 0.34 -1.64 -0.38 0.37 0.00 0.00 175.52 174.15 1kvj n ILE 26 N -4.14 0.04 0.01 3.11 5.41 -0.65 -2.50 119.36 120.64 1kvj n ILE 26 Ca -0.02 -0.36 -0.11 0.00 1.00 0.00 0.00 62.75 63.27 1kvj n ILE 26 Cb 0.38 0.24 -0.14 0.00 -0.71 0.00 0.00 39.64 39.40 1kvj n ILE 26 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1kvj h GLU 27 N 0.00 0.06 0.24 0.38 4.81 0.14 -2.64 114.58 117.57 1kvj h GLU 27 Ca 0.00 -0.10 -0.33 0.00 -0.13 0.00 0.00 59.36 58.80 1kvj h GLU 27 Cb 0.86 0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.31 1kvj h GLU 27 CO 0.00 0.73 -1.49 0.37 -0.73 0.00 0.00 179.01 177.89 1kvj h GLN 28 N 0.02 0.51 0.48 1.92 -0.00 -0.84 -1.85 115.11 115.35 1kvj h GLN 28 Ca -0.24 -0.87 -0.02 0.00 -0.00 0.00 0.00 58.65 57.51 1kvj h GLN 28 Cb 1.97 0.33 0.00 0.00 0.00 0.00 0.00 27.48 29.78 1kvj h GLN 28 CO 0.10 1.42 -0.23 1.96 0.00 0.00 0.00 178.83 182.08 1kvj h GLN 29 N 0.14 -0.62 -0.74 1.69 1.08 -1.61 -2.84 115.11 112.21 1kvj h GLN 29 Ca -0.25 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1kvj h GLN 29 Cb 2.15 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 29.69 1kvj h GLN 29 CO 0.27 -0.41 0.46 0.82 -0.95 0.00 0.00 178.83 179.02 1kvj h ILE 30 N -1.17 1.20 -0.65 2.54 1.08 -1.64 0.52 117.51 119.39 1kvj h ILE 30 Ca -0.07 -0.42 0.12 0.00 -0.39 0.00 0.00 64.86 64.10 1kvj h ILE 30 Cb 0.49 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.30 1kvj h ILE 30 CO 0.11 0.21 0.19 1.23 -0.69 0.00 0.00 178.15 179.19 1kvj h GLY 31 N 1.01 0.90 -1.54 5.37 0.00 -1.41 -2.53 103.07 104.86 1kvj h GLY 31 Ca 0.27 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 1kvj h GLY 31 CO -0.05 -0.11 -0.16 0.28 0.00 0.00 0.00 176.54 176.50 1kvj n LYS 32 N -5.08 1.87 -0.14 4.80 5.02 -1.04 -4.50 118.16 119.09 1kvj n LYS 32 Ca 0.11 -3.11 -0.10 0.00 -2.02 0.00 0.00 58.31 53.18 1kvj n LYS 32 Cb 0.35 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.00 1.26 0.00 -0.18 3.04 0.50 -3.47 116.25 118.40 1kvj h VAL 33 Ca 0.12 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1kvj h VAL 33 Cb 1.42 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1kvj h VAL 33 CO 0.24 0.35 0.00 -3.20 -1.01 0.00 0.00 177.57 173.96 1kvj n ASN 34 N -4.42 -0.05 -3.17 3.17 2.85 -1.26 -5.06 115.26 107.32 1kvj n ASN 34 Ca -0.01 0.11 -0.17 0.00 -0.11 0.00 0.00 54.58 54.40 1kvj n ASN 34 Cb 0.30 0.17 -0.06 0.00 1.24 0.00 0.00 39.78 41.44 1kvj n ASN 34 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1kvj s GLY 35 N -2.00 0.14 -0.33 8.20 0.00 -1.26 -4.98 107.32 107.09 1kvj s GLY 35 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 1kvj s GLY 35 CO 0.00 2.76 0.13 0.14 0.00 0.00 0.00 173.10 176.13 1kvj s VAL 36 N 0.57 0.81 0.26 1.40 1.01 -1.25 -3.62 120.40 119.57 1kvj s VAL 36 Ca 0.29 -1.56 0.12 0.00 0.00 0.00 0.00 61.98 60.83 1kvj s VAL 36 Cb -0.01 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1kvj s VAL 36 CO -0.12 -0.75 1.64 0.45 0.00 0.00 0.00 175.10 176.33 1kvj h HIS 37 N 7.80 0.00 -2.89 5.22 3.86 -1.84 -3.42 115.15 123.87 1kvj h HIS 37 Ca -0.10 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.82 1kvj h HIS 37 Cb 0.99 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.11 1kvj h HIS 37 CO 0.38 0.56 -0.61 -1.01 0.86 0.00 0.00 177.93 178.11 1kvj s HIS 38 N -3.64 -0.25 -0.14 2.45 3.76 -1.26 -4.99 115.29 111.22 1kvj s HIS 38 Ca -0.01 0.57 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1kvj s HIS 38 Cb 0.12 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.57 1kvj s HIS 38 CO 0.75 -0.38 -0.18 -1.50 -0.85 0.00 0.00 174.74 172.57 1kvj s ILE 39 N 2.33 2.43 -0.14 0.60 -1.16 -1.26 -0.87 121.20 123.12 1kvj s ILE 39 Ca 0.04 -0.86 0.00 0.00 -0.51 0.00 0.00 60.65 59.32 1kvj s ILE 39 Cb -0.13 -2.00 0.02 0.00 0.61 0.00 0.00 42.46 40.97 1kvj s ILE 39 CO -0.08 0.53 -0.11 -0.75 -2.81 0.00 0.00 174.94 171.72 1kvj s LYS 40 N 0.74 1.97 0.43 3.50 2.36 0.44 -4.97 119.74 124.20 1kvj s LYS 40 Ca -0.08 -0.46 0.08 0.00 -2.55 0.00 0.00 55.97 52.96 1kvj s LYS 40 Cb -0.16 -1.93 -0.02 0.00 -1.05 0.00 0.00 37.83 34.68 1kvj s LYS 40 CO 0.01 -0.27 0.38 0.08 1.55 0.00 0.00 175.35 177.10 1kvj s VAL 41 N 1.57 2.56 -0.42 4.02 1.01 -1.26 0.14 120.40 128.01 1kvj s VAL 41 Ca 0.05 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.71 1kvj s VAL 41 Cb -0.13 -2.92 0.17 0.00 0.00 0.00 0.00 36.38 33.50 1kvj s VAL 41 CO -0.10 0.00 0.47 -0.44 0.00 0.00 0.00 175.10 175.04 1kvj s SER 42 N -4.14 0.39 0.32 3.32 0.01 0.16 -4.88 113.70 108.88 1kvj s SER 42 Ca 0.47 -1.93 0.09 0.00 1.31 0.00 0.00 55.95 55.89 1kvj s SER 42 Cb -0.03 0.74 0.95 0.00 0.21 0.00 0.00 66.02 67.90 1kvj s SER 42 CO 0.27 -0.18 1.61 0.25 0.41 0.00 0.00 173.24 175.61 1kvj h LEU 43 N 6.21 0.04 0.13 2.44 5.85 -1.96 0.43 115.31 128.45 1kvj h LEU 43 Ca 0.11 0.24 -0.23 0.00 0.84 0.00 0.00 57.88 58.83 1kvj h LEU 43 Cb 1.04 0.31 0.01 0.00 0.37 0.00 0.00 40.66 42.39 1kvj h LEU 43 CO 0.19 -0.28 -1.10 -0.33 -0.34 0.00 0.00 178.44 176.58 1kvj h GLU 44 N 0.12 0.27 -0.00 1.25 3.07 -1.96 -3.27 114.58 114.06 1kvj h GLU 44 Ca 0.67 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1kvj h GLU 44 Cb 1.54 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1kvj h GLU 44 CO -0.75 1.22 0.00 0.39 -1.40 0.00 0.00 179.01 178.47 1kvj n GLU 45 N -4.04 1.00 -4.05 2.33 1.02 -0.74 -4.90 120.64 111.27 1kvj n GLU 45 Ca -0.19 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.54 1kvj n GLU 45 Cb 0.86 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 31.24 1kvj n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kvj n LYS 46 N -0.55 -0.34 -3.55 3.49 4.76 0.14 -4.86 118.16 117.25 1kvj n LYS 46 Ca 0.03 -0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1kvj n LYS 46 Cb 0.01 -2.01 -0.06 0.00 -1.84 0.00 0.00 35.03 31.13 1kvj n LYS 46 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1kvj s ASN 47 N -3.76 -0.63 -0.04 4.39 3.84 -1.18 -1.22 114.94 116.34 1kvj s ASN 47 Ca 0.41 0.73 -0.01 0.00 0.21 0.00 0.00 52.86 54.19 1kvj s ASN 47 Cb -0.23 0.60 0.03 0.00 -0.55 0.00 0.00 41.25 41.10 1kvj s ASN 47 CO 0.84 -0.56 0.05 0.00 -2.79 0.00 0.00 177.10 174.63 1kvj s ALA 48 N -1.06 0.26 0.14 1.71 0.00 0.58 0.35 121.76 123.74 1kvj s ALA 48 Ca -0.10 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.11 1kvj s ALA 48 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1kvj s ALA 48 CO 0.09 -0.40 -0.10 -0.08 0.00 0.00 0.00 175.76 175.27 1kvj s THR 49 N 1.89 3.28 0.10 0.00 -1.32 0.36 0.20 115.64 120.15 1kvj s THR 49 Ca 0.02 -1.44 -0.25 0.00 -1.21 0.00 0.00 61.69 58.80 1kvj s THR 49 Cb -0.12 -2.58 0.07 0.00 -1.51 0.00 0.00 72.50 68.36 1kvj s THR 49 CO -0.03 0.01 0.63 -0.51 -2.21 0.00 0.00 174.62 172.51 1kvj s ILE 50 N -1.42 0.00 0.14 5.08 -1.16 0.35 0.17 121.20 124.36 1kvj s ILE 50 Ca 0.23 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.43 1kvj s ILE 50 Cb -0.10 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1kvj s ILE 50 CO 0.14 0.00 0.00 -0.51 -2.81 0.00 0.00 174.94 171.77 1kvj s ILE 51 N -3.03 3.85 0.15 2.00 -1.16 -0.05 0.19 121.20 123.15 1kvj s ILE 51 Ca -0.02 -1.25 -0.21 0.00 -0.51 0.00 0.00 60.65 58.66 1kvj s ILE 51 Cb -0.01 -2.90 0.06 0.00 0.61 0.00 0.00 42.46 40.22 1kvj s ILE 51 CO -0.07 -0.02 0.54 -0.72 -2.81 0.00 0.00 174.94 171.86 1kvj s TYR 52 N -1.56 -0.43 -0.24 3.50 1.13 0.32 -2.58 117.35 117.48 1kvj s TYR 52 Ca 0.27 0.18 -0.23 0.00 -1.41 0.00 0.00 57.07 55.88 1kvj s TYR 52 Cb -0.10 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1kvj s TYR 52 CO 0.19 -0.81 0.76 0.34 -2.51 0.00 0.00 175.55 173.51 1kvj s ASP 53 N -2.77 6.75 0.53 -0.18 -1.08 -1.24 0.66 116.67 119.34 1kvj s ASP 53 Ca 0.02 0.93 0.18 0.00 -0.52 0.00 0.00 52.55 53.16 1kvj s ASP 53 Cb -0.00 -2.40 1.32 0.00 -1.46 0.00 0.00 42.92 40.38 1kvj s ASP 53 CO -0.12 -0.45 2.13 1.55 0.52 0.00 0.00 175.17 178.80 1kvj h PRO 54 N 7.72 0.00 0.00 4.34 0.13 -1.79 1.79 132.00 144.19 1kvj h PRO 54 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1kvj h PRO 54 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kvj h PRO 54 CO 0.84 0.00 0.00 1.57 -0.23 0.00 0.00 178.00 180.18 1kvj h LYS 55 N 0.00 0.00 0.00 0.86 5.09 -1.89 -3.34 116.57 117.29 1kvj h LYS 55 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1kvj h LYS 55 Cb 0.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.48 1kvj h LYS 55 CO -0.00 0.00 -0.77 -0.11 -2.09 0.00 0.00 179.45 176.48 1kvj n LEU 56 N -2.96 1.57 -4.23 7.07 7.94 0.43 -5.09 117.00 121.73 1kvj n LEU 56 Ca -0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 1kvj n LEU 56 Cb 0.23 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.07 1kvj n LEU 56 CO 0.24 0.26 -0.44 -1.10 -1.11 0.00 0.00 177.39 175.24 1kvj s GLN 57 N -1.77 0.99 0.28 1.96 -1.52 0.58 -4.86 119.66 115.32 1kvj s GLN 57 Ca 0.00 -1.24 0.02 0.00 -1.95 0.00 0.00 55.36 52.20 1kvj s GLN 57 Cb 0.00 -0.82 -0.04 0.00 -0.22 0.00 0.00 33.01 31.93 1kvj s GLN 57 CO 0.00 0.15 0.15 0.95 -0.25 0.00 0.00 175.29 176.29 1kvj s THR 58 N -2.25 0.29 -0.48 -0.19 -4.23 -1.26 -3.25 115.64 104.27 1kvj s THR 58 Ca 0.09 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1kvj s THR 58 Cb -0.04 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.50 1kvj s THR 58 CO 0.02 0.00 1.68 -0.81 -0.54 0.00 0.00 174.62 174.98 1kvj n PRO 59 N -0.50 0.17 -0.01 3.99 -0.04 -1.26 -1.06 135.00 136.30 1kvj n PRO 59 Ca 0.01 0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 63.73 1kvj n PRO 59 Cb 0.65 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 1kvj n PRO 59 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kvj n LYS 60 N -2.19 0.74 0.17 0.54 0.00 -1.26 -3.08 118.16 113.07 1kvj n LYS 60 Ca 0.02 0.26 0.03 0.00 0.00 0.00 0.00 58.31 58.62 1kvj n LYS 60 Cb 0.20 -1.71 0.26 0.00 0.00 0.00 0.00 35.03 33.77 1kvj n LYS 60 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1kvj h THR 61 N 0.06 1.03 0.00 3.15 2.02 -1.90 0.58 112.91 117.85 1kvj h THR 61 Ca -0.41 -1.78 -0.11 0.00 0.77 0.00 0.00 66.41 64.89 1kvj h THR 61 Cb 2.03 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 70.47 1kvj h THR 61 CO 0.08 0.45 -0.51 -0.07 0.37 0.00 0.00 175.52 175.84 1kvj h LEU 62 N 0.00 0.00 0.05 2.58 3.38 -1.22 0.22 115.31 120.32 1kvj h LEU 62 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1kvj h LEU 62 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1kvj h LEU 62 CO 0.06 0.51 -1.33 -0.61 0.09 0.00 0.00 178.44 177.16 1kvj h GLN 63 N 0.00 0.10 0.00 1.13 4.15 -1.25 -1.53 115.11 117.72 1kvj h GLN 63 Ca -0.01 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 1kvj h GLN 63 Cb 1.00 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 1kvj h GLN 63 CO 0.07 0.95 -0.00 0.93 -1.93 0.00 0.00 178.83 178.84 1kvj h GLU 64 N 0.03 0.00 0.00 1.69 3.07 0.62 1.99 114.58 121.98 1kvj h GLU 64 Ca -0.15 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.56 1kvj h GLU 64 Cb 1.91 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.80 1kvj h GLU 64 CO 0.14 0.00 -1.36 0.00 -1.40 0.00 0.00 179.01 176.39 1kvj n ALA 65 N -2.09 1.99 0.03 3.43 0.00 0.74 -1.94 120.51 122.67 1kvj n ALA 65 Ca 0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 1kvj n ALA 65 Cb 0.34 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 1kvj n ALA 65 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kvj h ILE 66 N 0.00 0.74 0.00 0.00 1.08 -0.44 -2.67 117.51 116.22 1kvj h ILE 66 Ca -0.15 -2.42 -0.09 0.00 -0.39 0.00 0.00 64.86 61.82 1kvj h ILE 66 Cb 1.52 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 37.85 1kvj h ILE 66 CO 0.04 0.87 -0.43 0.44 -0.69 0.00 0.00 178.15 178.39 1kvj h ASP 67 N 0.08 0.00 -0.09 1.72 5.19 0.30 -2.94 116.42 120.68 1kvj h ASP 67 Ca -0.39 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.89 1kvj h ASP 67 Cb 2.06 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.57 1kvj h ASP 67 CO 0.12 0.43 -0.47 -0.78 -3.12 0.00 0.00 179.24 175.42 1kvj h ASP 68 N 0.00 0.57 -0.43 6.45 3.58 -1.47 -3.28 116.42 121.84 1kvj h ASP 68 Ca -0.00 -0.65 0.08 0.00 0.42 0.00 0.00 57.03 56.88 1kvj h ASP 68 Cb 0.77 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.57 1kvj h ASP 68 CO 0.06 1.13 -0.09 0.24 -2.88 0.00 0.00 179.24 177.69 1kvj h MET 69 N 0.06 0.01 0.00 0.28 2.86 -1.30 -3.47 114.93 113.38 1kvj h MET 69 Ca -0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1kvj h MET 69 Cb 1.12 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1kvj h MET 69 CO 0.10 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1kvj n GLY 70 N -1.31 0.69 2.81 8.32 0.00 -1.15 -5.12 105.19 109.42 1kvj n GLY 70 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.65 0.59 -0.75 1.61 0.08 -1.25 -5.01 117.98 112.59 1kvj s PHE 71 Ca 0.00 -0.12 -0.24 0.00 0.12 0.00 0.00 56.93 56.68 1kvj s PHE 71 Cb 0.00 -0.67 -0.15 0.00 -0.57 0.00 0.00 43.02 41.63 1kvj s PHE 71 CO 0.00 -0.25 2.40 -0.25 -0.10 0.00 0.00 175.22 177.02 1kvj n ASP 72 N 4.68 1.48 -4.72 1.36 8.00 -1.26 -4.76 116.55 121.31 1kvj n ASP 72 Ca -0.15 -1.06 -0.33 0.00 0.71 0.00 0.00 54.79 53.96 1kvj n ASP 72 Cb 0.50 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 1kvj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kvj s ALA 73 N 12.22 4.04 -0.39 2.24 0.00 -1.26 -0.99 121.76 137.62 1kvj s ALA 73 Ca 1.01 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1kvj s ALA 73 Cb -0.28 0.07 0.18 0.00 0.00 0.00 0.00 23.12 23.09 1kvj s ALA 73 CO 0.20 -0.04 0.61 0.54 0.00 0.00 0.00 175.76 177.07 1kvj s VAL 74 N -2.89 -0.96 0.72 0.00 0.11 0.11 -4.95 120.40 112.55 1kvj s VAL 74 Ca 0.07 -0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 1kvj s VAL 74 Cb 0.02 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1kvj s VAL 74 CO 0.04 -0.04 1.03 2.30 -3.33 0.00 0.00 175.10 175.10 1kvj n ILE 75 N 4.58 2.92 -1.46 7.04 -5.35 -1.26 -2.09 119.36 123.74 1kvj n ILE 75 Ca 0.10 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 1kvj n ILE 75 Cb 0.56 -1.15 0.17 0.00 -1.74 0.00 0.00 39.64 37.48 1kvj n ILE 75 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1kvj n HIS 76 N -2.55 1.84 -3.68 4.28 -0.00 0.11 -4.82 115.22 110.40 1kvj n HIS 76 Ca 0.13 -1.86 -0.29 0.00 0.46 0.00 0.00 57.72 56.16 1kvj n HIS 76 Cb 0.49 -0.66 -0.13 0.00 -0.12 0.00 0.00 29.99 29.57 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 -2.34 3.51 -1.40 0.26 -0.87 -1.26 -4.80 114.94 108.04 1kvj s ASN 77 Ca 0.50 -2.65 -0.10 0.00 -1.57 0.00 0.00 52.86 49.04 1kvj s ASN 77 Cb 0.43 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.25 40.63 1kvj s ASN 77 CO 0.02 -0.26 2.66 -0.81 -2.57 0.00 0.00 177.10 176.14 1kvj n PRO 78 N 3.50 3.15 0.00 -0.60 -0.04 -1.26 -4.87 135.00 134.88 1kvj n PRO 78 Ca 0.11 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1kvj n PRO 78 Cb 0.35 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1kvj n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21