#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 -4.56 0.21 6.12 9.92 -1.26 -4.82 116.55 122.16 1kvj n ASP 2 Ca 0.00 -1.11 0.15 0.00 -0.53 0.00 0.00 54.79 53.29 1kvj n ASP 2 Cb 0.00 -1.71 0.58 0.00 -0.64 0.00 0.00 41.12 39.36 1kvj n ASP 2 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1kvj h PRO 3 N -1.35 0.00 0.00 -0.24 0.13 -2.07 -3.30 132.00 125.17 1kvj h PRO 3 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1kvj h PRO 3 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1kvj h PRO 3 CO 0.44 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.64 1kvj n SER 4 N -2.71 0.06 -2.25 1.44 7.64 -1.26 -5.02 113.62 111.52 1kvj n SER 4 Ca 0.01 -0.97 -0.07 0.00 1.01 0.00 0.00 58.87 58.86 1kvj n SER 4 Cb 0.29 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1kvj n SER 4 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1kvj n MET 5 N -0.00 -2.33 -0.41 1.43 1.56 -1.25 0.73 117.12 116.85 1kvj n MET 5 Ca 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1kvj n MET 5 Cb 0.23 -4.83 0.00 0.00 2.15 0.00 0.00 33.22 30.77 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 -0.58 0.74 1.12 -5.12 0.00 -1.26 -4.94 105.19 95.15 1kvj n GLY 6 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.15 0.00 -4.36 1.61 0.31 0.22 -4.93 118.33 109.03 1kvj n VAL 7 Ca 0.00 0.19 -0.27 0.00 -0.01 0.00 0.00 64.34 64.25 1kvj n VAL 7 Cb 0.00 -0.57 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 1kvj n VAL 7 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1kvj s ASN 8 N -6.36 3.85 0.07 4.52 2.47 0.10 -4.92 114.94 114.67 1kvj s ASN 8 Ca 0.00 -0.73 0.09 0.00 0.42 0.00 0.00 52.86 52.64 1kvj s ASN 8 Cb 0.00 -0.49 -0.03 0.00 -1.45 0.00 0.00 41.25 39.28 1kvj s ASN 8 CO 0.00 0.11 -0.24 -0.55 -3.72 0.00 0.00 177.10 172.69 1kvj s SER 9 N -2.79 3.39 -0.02 -4.21 0.15 -1.26 0.13 113.70 109.09 1kvj s SER 9 Ca 0.23 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1kvj s SER 9 Cb -0.08 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1kvj s SER 9 CO 0.13 0.23 0.04 -0.69 1.20 0.00 0.00 173.24 174.15 1kvj s VAL 10 N -0.93 -0.04 -0.27 4.45 1.01 0.33 -4.95 120.40 120.01 1kvj s VAL 10 Ca 0.13 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1kvj s VAL 10 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1kvj s VAL 10 CO 0.04 0.05 0.03 -0.89 0.00 0.00 0.00 175.10 174.34 1kvj s THR 11 N 0.67 3.74 0.01 3.92 2.01 -1.26 0.39 115.64 125.12 1kvj s THR 11 Ca -0.05 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1kvj s THR 11 Cb -0.08 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1kvj s THR 11 CO -0.02 0.21 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.48 1kvj s ILE 12 N 1.49 4.06 0.19 1.82 1.01 0.40 0.06 121.20 130.24 1kvj s ILE 12 Ca 0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1kvj s ILE 12 Cb -0.16 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 1kvj s ILE 12 CO 0.00 0.36 0.98 -0.94 0.00 0.00 0.00 174.94 175.34 1kvj s SER 13 N -1.60 7.52 -0.21 3.58 1.04 -0.94 0.11 113.70 123.20 1kvj s SER 13 Ca 0.20 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 58.56 1kvj s SER 13 Cb -0.11 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.46 1kvj s SER 13 CO 0.11 0.02 -0.03 -0.69 0.98 0.00 0.00 173.24 173.62 1kvj s VAL 14 N -0.68 1.13 0.39 5.02 1.01 -1.23 -1.36 120.40 124.68 1kvj s VAL 14 Ca 0.44 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1kvj s VAL 14 Cb -0.26 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1kvj s VAL 14 CO 0.32 -0.08 0.03 -0.70 0.00 0.00 0.00 175.10 174.67 1kvj s GLU 15 N 1.59 1.87 -0.62 2.72 2.56 0.25 -3.47 118.70 123.60 1kvj s GLU 15 Ca -0.03 -2.06 0.00 0.00 0.00 0.00 0.00 54.97 52.89 1kvj s GLU 15 Cb -0.17 -1.39 0.00 0.00 2.00 0.00 0.00 34.13 34.56 1kvj s GLU 15 CO -0.07 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 1kvj n GLY 16 N -0.89 0.46 0.27 -1.50 0.00 -1.26 -3.04 105.19 99.22 1kvj n GLY 16 Ca -0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 1kvj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1kvj h MET 17 N 0.00 0.66 0.00 1.61 2.86 -1.86 -3.45 114.93 114.75 1kvj h MET 17 Ca -0.14 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1kvj h MET 17 Cb 0.80 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1kvj h MET 17 CO 0.19 0.77 0.00 0.25 1.06 0.00 0.00 176.91 179.17 1kvj n THR 18 N -4.17 0.00 0.00 2.22 -2.24 -1.26 -4.05 114.28 104.78 1kvj n THR 18 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1kvj n THR 18 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.00 0.18 -0.41 0.00 0.23 -1.26 0.70 115.26 114.69 1kvj n ASN 20 Ca 0.00 1.09 0.39 0.00 -0.53 0.00 0.00 54.58 55.53 1kvj n ASN 20 Cb 0.00 -0.54 0.75 0.00 -2.08 0.00 0.00 39.78 37.91 1kvj n ASN 20 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1kvj h SER 21 N 0.00 0.04 0.60 0.53 4.64 -1.94 1.28 113.55 118.70 1kvj h SER 21 Ca 0.67 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.78 1kvj h SER 21 Cb 2.09 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 64.15 1kvj h SER 21 CO -0.39 -0.00 -1.55 0.00 -0.87 0.00 0.00 176.83 174.01 1kvj h VAL 23 N 0.00 1.31 -0.11 0.00 2.07 0.67 0.41 116.25 120.59 1kvj h VAL 23 Ca -0.22 -1.86 -0.09 0.00 0.82 0.00 0.00 66.70 65.35 1kvj h VAL 23 Cb 1.78 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1kvj h VAL 23 CO 0.06 0.59 -0.33 -0.50 0.02 0.00 0.00 177.57 177.40 1kvj h TRP 24 N 0.49 0.25 0.00 1.57 6.55 0.11 0.31 115.95 125.24 1kvj h TRP 24 Ca -0.01 -0.06 -0.09 0.00 0.95 0.00 0.00 58.89 59.69 1kvj h TRP 24 Cb 1.20 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 29.42 1kvj h TRP 24 CO 0.06 0.53 -0.58 1.15 -1.05 0.00 0.00 178.44 178.55 1kvj h THR 25 N 0.19 0.61 0.00 1.49 2.02 -0.90 -2.50 112.91 113.83 1kvj h THR 25 Ca 0.03 -1.91 -0.08 0.00 0.77 0.00 0.00 66.41 65.21 1kvj h THR 25 Cb 0.68 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 1kvj h THR 25 CO 0.05 0.35 -1.95 -0.38 0.37 0.00 0.00 175.52 173.96 1kvj n ILE 26 N -3.12 0.41 0.08 3.11 -0.00 0.14 -2.54 119.36 117.44 1kvj n ILE 26 Ca 0.01 -0.59 -0.18 0.00 -0.00 0.00 0.00 62.75 61.99 1kvj n ILE 26 Cb 0.71 -0.17 -0.14 0.00 -0.00 0.00 0.00 39.64 40.03 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 0.29 0.10 0.38 4.81 -0.49 -2.32 114.58 117.35 1kvj h GLU 27 Ca -0.12 -0.50 -0.26 0.00 -0.13 0.00 0.00 59.36 58.35 1kvj h GLU 27 Cb 1.29 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1kvj h GLU 27 CO 0.01 1.18 -1.20 1.96 -0.73 0.00 0.00 179.01 180.24 1kvj h GLN 28 N 0.08 0.21 0.11 1.92 7.50 -1.61 -1.52 115.11 121.80 1kvj h GLN 28 Ca -0.23 -0.36 -0.01 0.00 0.50 0.00 0.00 58.65 58.56 1kvj h GLN 28 Cb 2.03 0.13 0.00 0.00 0.05 0.00 0.00 27.48 29.69 1kvj h GLN 28 CO 0.18 1.17 -0.05 1.96 -1.50 0.00 0.00 178.83 180.59 1kvj h GLN 29 N 0.06 -0.14 -0.48 1.46 1.08 -1.59 -2.56 115.11 112.94 1kvj h GLN 29 Ca -0.11 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1kvj h GLN 29 Cb 1.93 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 29.37 1kvj h GLN 29 CO 0.19 -0.10 0.01 0.82 -0.95 0.00 0.00 178.83 178.80 1kvj h ILE 30 N -0.90 1.24 -0.41 2.54 2.04 -1.60 1.03 117.51 121.45 1kvj h ILE 30 Ca -0.02 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.90 1kvj h ILE 30 Cb 0.11 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1kvj h ILE 30 CO 0.03 0.34 0.22 1.23 0.00 0.00 0.00 178.15 179.97 1kvj h GLY 31 N 0.97 0.56 -2.34 5.37 0.00 -1.38 -2.82 103.07 103.43 1kvj h GLY 31 Ca 0.15 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 1kvj h GLY 31 CO 0.02 0.12 0.02 1.17 0.00 0.00 0.00 176.54 177.87 1kvj n LYS 32 N -4.89 1.89 -0.18 4.80 4.81 -0.96 -4.28 118.16 119.34 1kvj n LYS 32 Ca 0.02 -3.18 -0.05 0.00 -0.87 0.00 0.00 58.31 54.23 1kvj n LYS 32 Cb 0.09 -1.87 0.13 0.00 0.02 0.00 0.00 35.03 33.39 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1kvj h VAL 33 N 1.00 1.24 0.00 3.15 3.04 0.14 -3.47 116.25 121.36 1kvj h VAL 33 Ca 0.29 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1kvj h VAL 33 Cb 1.84 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1kvj h VAL 33 CO 0.49 0.34 0.00 -3.20 -1.01 0.00 0.00 177.57 174.20 1kvj n ASN 34 N -4.25 -1.00 -3.20 3.17 2.85 -1.26 -5.06 115.26 106.51 1kvj n ASN 34 Ca 0.04 0.58 -0.17 0.00 -0.11 0.00 0.00 54.58 54.93 1kvj n ASN 34 Cb 0.25 1.29 -0.06 0.00 1.24 0.00 0.00 39.78 42.50 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 -1.96 0.08 -0.43 8.20 0.00 -1.26 -5.07 107.32 106.88 1kvj s GLY 35 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.37 1kvj s GLY 35 CO 0.00 2.77 0.18 0.14 0.00 0.00 0.00 173.10 176.20 1kvj s VAL 36 N 0.75 1.97 0.40 1.40 1.01 -1.25 -3.65 120.40 121.04 1kvj s VAL 36 Ca 0.27 -2.63 0.38 0.00 0.00 0.00 0.00 61.98 60.00 1kvj s VAL 36 Cb -0.04 -2.41 0.38 0.00 0.00 0.00 0.00 36.38 34.32 1kvj s VAL 36 CO -0.10 -0.76 2.17 0.45 0.00 0.00 0.00 175.10 176.86 1kvj h HIS 37 N 7.04 0.00 -2.08 5.22 3.86 -1.89 -3.41 115.15 123.88 1kvj h HIS 37 Ca -0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1kvj h HIS 37 Cb 0.95 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.20 1kvj h HIS 37 CO 0.47 0.00 -0.03 -1.58 0.86 0.00 0.00 177.93 177.66 1kvj s HIS 38 N -3.96 -1.02 -0.07 2.45 5.65 -1.26 -4.99 115.29 112.08 1kvj s HIS 38 Ca -0.04 2.04 0.02 0.00 0.25 0.00 0.00 55.06 57.33 1kvj s HIS 38 Cb 0.11 0.60 0.02 0.00 -1.18 0.00 0.00 32.58 32.13 1kvj s HIS 38 CO 0.36 -0.51 -0.10 -1.50 -0.65 0.00 0.00 174.74 172.33 1kvj s ILE 39 N 1.67 1.00 -0.16 0.89 -1.16 -1.26 -1.18 121.20 121.01 1kvj s ILE 39 Ca -0.10 -0.39 0.01 0.00 -0.51 0.00 0.00 60.65 59.67 1kvj s ILE 39 Cb -0.06 -0.94 0.02 0.00 0.61 0.00 0.00 42.46 42.09 1kvj s ILE 39 CO -0.19 0.33 -0.19 -0.75 -2.81 0.00 0.00 174.94 171.33 1kvj s LYS 40 N 0.83 2.84 0.13 3.50 2.36 0.31 -4.97 119.74 124.74 1kvj s LYS 40 Ca -0.12 -0.78 0.05 0.00 -2.55 0.00 0.00 55.97 52.57 1kvj s LYS 40 Cb -0.15 -2.42 -0.04 0.00 -1.05 0.00 0.00 37.83 34.17 1kvj s LYS 40 CO 0.02 -0.16 0.08 0.54 1.55 0.00 0.00 175.35 177.38 1kvj s VAL 41 N 1.19 4.31 -0.45 4.02 0.11 -1.26 -0.64 120.40 127.68 1kvj s VAL 41 Ca 0.01 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.10 1kvj s VAL 41 Cb -0.14 -3.13 0.20 0.00 -1.53 0.00 0.00 36.38 31.78 1kvj s VAL 41 CO -0.09 0.00 0.43 -1.20 -3.33 0.00 0.00 175.10 170.91 1kvj n SER 42 N 0.09 0.35 -0.39 3.54 7.64 0.11 -4.93 113.62 120.02 1kvj n SER 42 Ca -0.09 -2.62 -0.06 0.00 1.01 0.00 0.00 58.87 57.11 1kvj n SER 42 Cb 0.53 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1kvj n SER 42 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1kvj n LEU 43 N 2.21 -0.83 -0.06 -3.43 7.94 -1.26 0.32 117.00 121.88 1kvj n LEU 43 Ca 0.26 1.70 -0.12 0.00 -1.11 0.00 0.00 56.01 56.75 1kvj n LEU 43 Cb 0.48 -0.30 -0.14 0.00 0.53 0.00 0.00 43.42 43.98 1kvj n LEU 43 CO 0.15 -1.45 -0.87 -0.62 -1.11 0.00 0.00 177.39 173.48 1kvj n GLU 44 N -5.31 0.67 0.00 1.96 -0.58 -1.26 -3.90 120.64 112.22 1kvj n GLU 44 Ca 0.06 0.17 0.05 0.00 -0.42 0.00 0.00 57.16 57.02 1kvj n GLU 44 Cb 0.32 -1.66 0.23 0.00 -0.57 0.00 0.00 31.44 29.76 1kvj n GLU 44 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1kvj n GLU 45 N -3.04 0.08 -3.23 3.49 2.13 -1.03 -4.89 120.64 114.15 1kvj n GLU 45 Ca -0.28 0.25 -0.06 0.00 0.66 0.00 0.00 57.16 57.73 1kvj n GLU 45 Cb 1.08 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.29 1kvj n GLU 45 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1kvj n LYS 46 N -1.37 -1.40 -3.56 5.31 3.00 0.15 -4.99 118.16 115.31 1kvj n LYS 46 Ca 0.04 1.30 -0.06 0.00 -0.00 0.00 0.00 58.31 59.58 1kvj n LYS 46 Cb 0.09 -5.02 -0.02 0.00 0.00 0.00 0.00 35.03 30.08 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 -3.03 -0.26 -0.31 3.14 3.84 -1.16 -3.55 114.94 113.61 1kvj s ASN 47 Ca 0.03 -0.03 0.01 0.00 0.21 0.00 0.00 52.86 53.07 1kvj s ASN 47 Cb -0.01 0.30 0.14 0.00 -0.55 0.00 0.00 41.25 41.14 1kvj s ASN 47 CO 0.78 -0.49 0.33 0.00 -2.79 0.00 0.00 177.10 174.93 1kvj s ALA 48 N -2.86 -0.53 -0.12 1.71 0.00 0.29 0.09 121.76 120.35 1kvj s ALA 48 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1kvj s ALA 48 Cb -0.01 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1kvj s ALA 48 CO -0.07 -1.84 -0.05 -0.08 0.00 0.00 0.00 175.76 173.72 1kvj s THR 49 N 2.11 3.80 0.33 0.00 -1.32 0.19 0.15 115.64 120.90 1kvj s THR 49 Ca 0.12 -0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1kvj s THR 49 Cb -0.14 -2.62 -0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1kvj s THR 49 CO -0.24 0.54 0.43 0.27 -2.21 0.00 0.00 174.62 173.40 1kvj s ILE 50 N -0.10 0.00 0.22 5.08 -5.25 0.16 0.12 121.20 121.43 1kvj s ILE 50 Ca 0.02 -1.67 0.09 0.00 -0.99 0.00 0.00 60.65 58.10 1kvj s ILE 50 Cb -0.13 -2.59 -0.05 0.00 2.95 0.00 0.00 42.46 42.64 1kvj s ILE 50 CO 0.03 0.00 -0.17 -0.51 -1.79 0.00 0.00 174.94 172.49 1kvj s ILE 51 N -3.22 2.03 -0.04 8.37 -1.16 -0.32 0.12 121.20 126.98 1kvj s ILE 51 Ca 0.32 -2.22 -0.29 0.00 -0.51 0.00 0.00 60.65 57.95 1kvj s ILE 51 Cb 0.00 -2.10 0.09 0.00 0.61 0.00 0.00 42.46 41.07 1kvj s ILE 51 CO 0.20 -0.46 0.80 -0.72 -2.81 0.00 0.00 174.94 171.95 1kvj s TYR 52 N -2.60 -0.49 -0.28 3.50 1.13 0.35 -3.42 117.35 115.54 1kvj s TYR 52 Ca 0.24 0.67 -0.29 0.00 -1.41 0.00 0.00 57.07 56.28 1kvj s TYR 52 Cb -0.03 0.47 0.01 0.00 -1.10 0.00 0.00 41.96 41.31 1kvj s TYR 52 CO 0.10 -0.56 1.08 0.34 -2.51 0.00 0.00 175.55 173.99 1kvj s ASP 53 N -1.69 6.98 -0.47 -0.18 2.15 -1.24 0.02 116.67 122.24 1kvj s ASP 53 Ca -0.03 1.19 -0.03 0.00 0.43 0.00 0.00 52.55 54.11 1kvj s ASP 53 Cb -0.00 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 1kvj s ASP 53 CO -0.00 -0.81 1.74 -0.81 -0.17 0.00 0.00 175.17 175.12 1kvj n PRO 54 N 6.69 1.26 0.05 4.34 -0.04 -1.26 -2.87 135.00 143.17 1kvj n PRO 54 Ca 0.12 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1kvj n PRO 54 Cb 0.47 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1kvj n PRO 54 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kvj n LYS 55 N 4.06 0.00 0.00 0.54 5.02 -1.26 -4.87 118.16 121.66 1kvj n LYS 55 Ca 0.27 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1kvj n LYS 55 Cb 0.15 -0.04 0.02 0.00 -0.02 0.00 0.00 35.03 35.14 1kvj n LYS 55 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1kvj n LEU 56 N -2.88 1.01 -4.18 -0.35 -0.00 -1.24 -4.91 117.00 104.46 1kvj n LEU 56 Ca 0.00 -0.39 -0.21 0.00 -0.00 0.00 0.00 56.01 55.41 1kvj n LEU 56 Cb 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 43.42 43.22 1kvj n LEU 56 CO 0.00 0.23 -0.48 -1.10 -0.00 0.00 0.00 177.39 176.04 1kvj s GLN 57 N -2.90 1.02 0.20 1.47 -0.21 -1.14 -5.05 119.66 113.06 1kvj s GLN 57 Ca 0.11 -0.85 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 1kvj s GLN 57 Cb 0.17 -1.07 -0.03 0.00 1.00 0.00 0.00 33.01 33.07 1kvj s GLN 57 CO 0.77 0.26 0.19 0.95 -2.12 0.00 0.00 175.29 175.34 1kvj s THR 58 N -0.92 0.02 0.26 -0.19 -4.23 -1.26 -3.99 115.64 105.32 1kvj s THR 58 Ca 0.03 -1.84 0.37 0.00 -1.18 0.00 0.00 61.69 59.06 1kvj s THR 58 Cb -0.08 -2.34 0.39 0.00 1.34 0.00 0.00 72.50 71.80 1kvj s THR 58 CO 0.02 -0.08 2.10 1.55 -0.54 0.00 0.00 174.62 177.66 1kvj h PRO 59 N 2.58 0.00 0.01 3.99 0.13 -1.97 0.17 132.00 136.91 1kvj h PRO 59 Ca -0.34 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.48 1kvj h PRO 59 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1kvj h PRO 59 CO 0.50 0.00 -1.85 1.17 -0.23 0.00 0.00 178.00 177.60 1kvj n LYS 60 N -2.96 0.65 0.16 0.86 3.00 -1.26 -3.02 118.16 115.59 1kvj n LYS 60 Ca -0.01 0.24 0.05 0.00 -0.00 0.00 0.00 58.31 58.59 1kvj n LYS 60 Cb 0.19 -1.74 0.09 0.00 0.00 0.00 0.00 35.03 33.56 1kvj n LYS 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1kvj h THR 61 N 0.00 0.71 -0.01 3.15 1.35 -1.84 0.53 112.91 116.80 1kvj h THR 61 Ca -0.34 -1.93 -0.14 0.00 -0.55 0.00 0.00 66.41 63.45 1kvj h THR 61 Cb 2.06 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 70.76 1kvj h THR 61 CO 0.07 0.39 -0.65 -0.07 -0.25 0.00 0.00 175.52 175.01 1kvj h LEU 62 N 0.00 0.07 0.00 3.87 3.38 -1.09 0.52 115.31 122.06 1kvj h LEU 62 Ca -0.00 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1kvj h LEU 62 Cb 1.27 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1kvj h LEU 62 CO 0.05 0.70 -0.95 -0.61 0.09 0.00 0.00 178.44 177.72 1kvj h GLN 63 N 0.04 0.00 0.00 1.13 4.15 -1.37 -2.13 115.11 116.94 1kvj h GLN 63 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1kvj h GLN 63 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1kvj h GLN 63 CO 0.09 0.68 -0.17 0.93 -1.93 0.00 0.00 178.83 178.43 1kvj h GLU 64 N 0.00 0.00 0.00 1.69 5.08 0.51 0.51 114.58 122.36 1kvj h GLU 64 Ca -0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1kvj h GLU 64 Cb 1.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 1kvj h GLU 64 CO 0.09 0.00 -1.26 0.00 -1.00 0.00 0.00 179.01 176.84 1kvj h ALA 65 N 2.36 0.64 0.15 3.43 0.00 0.14 -1.85 119.26 124.14 1kvj h ALA 65 Ca 0.00 -0.93 -0.34 0.00 0.00 0.00 0.00 54.91 53.64 1kvj h ALA 65 Cb 0.82 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1kvj h ALA 65 CO 0.00 1.07 -1.75 0.82 0.00 0.00 0.00 179.25 179.39 1kvj h ILE 66 N 0.00 0.92 -0.20 0.00 2.04 -1.21 -0.75 117.51 118.31 1kvj h ILE 66 Ca -0.14 -2.55 -0.08 0.00 1.00 0.00 0.00 64.86 63.09 1kvj h ILE 66 Cb 1.67 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.44 1kvj h ILE 66 CO 0.07 0.84 -0.21 0.44 0.00 0.00 0.00 178.15 179.28 1kvj h ASP 67 N 0.09 0.34 0.36 1.72 3.32 -0.08 -2.68 116.42 119.50 1kvj h ASP 67 Ca -0.33 -0.10 -0.30 0.00 0.02 0.00 0.00 57.03 56.31 1kvj h ASP 67 Cb 2.07 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 41.55 1kvj h ASP 67 CO 0.15 0.57 -1.33 -0.78 -1.72 0.00 0.00 179.24 176.13 1kvj h ASP 68 N 0.32 0.70 -0.24 6.45 1.82 -1.40 -3.34 116.42 120.73 1kvj h ASP 68 Ca 0.05 -0.72 0.04 0.00 -0.39 0.00 0.00 57.03 56.01 1kvj h ASP 68 Cb 0.56 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 1kvj h ASP 68 CO 0.04 1.55 -0.54 0.24 -1.61 0.00 0.00 179.24 178.92 1kvj h MET 69 N 0.15 -0.49 0.00 0.28 2.86 -0.79 -3.47 114.93 113.47 1kvj h MET 69 Ca -0.20 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1kvj h MET 69 Cb 2.03 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.80 1kvj h MET 69 CO 0.24 -0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.29 1kvj n GLY 70 N -1.41 0.76 2.98 8.32 0.00 -1.10 -5.09 105.19 109.64 1kvj n GLY 70 Ca -0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.17 -1.18 1.61 0.08 -1.25 -5.06 117.98 112.35 1kvj s PHE 71 Ca 0.00 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.49 1kvj s PHE 71 Cb 0.00 -0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 1kvj s PHE 71 CO 0.00 -0.16 1.88 -0.51 -0.10 0.00 0.00 175.22 176.33 1kvj s ASP 72 N -1.10 5.49 0.01 1.36 1.01 -1.17 -4.81 116.67 117.45 1kvj s ASP 72 Ca -0.12 -1.74 0.02 0.00 0.71 0.00 0.00 52.55 51.42 1kvj s ASP 72 Cb -0.07 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 1kvj s ASP 72 CO -0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 175.17 172.72 1kvj s ALA 73 N 9.23 0.62 0.00 5.23 0.00 -1.26 0.86 121.76 136.44 1kvj s ALA 73 Ca 0.65 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1kvj s ALA 73 Cb -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1kvj s ALA 73 CO 0.10 0.12 0.00 0.28 0.00 0.00 0.00 175.76 176.26 1kvj n VAL 74 N 2.58 0.00 -3.71 0.00 0.31 -0.46 -4.85 118.33 112.19 1kvj n VAL 74 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 1kvj n VAL 74 Cb 0.57 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.41 1kvj n VAL 74 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1kvj s ILE 75 N 4.06 0.03 -0.18 2.52 1.01 -1.26 -2.22 121.20 125.16 1kvj s ILE 75 Ca 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 60.65 60.57 1kvj s ILE 75 Cb 0.00 -0.66 0.49 0.00 0.01 0.00 0.00 42.46 42.30 1kvj s ILE 75 CO 0.00 -0.14 1.39 1.57 0.00 0.00 0.00 174.94 177.76 1kvj n HIS 76 N 1.75 0.82 -4.53 3.97 -0.00 0.11 -4.68 115.22 112.65 1kvj n HIS 76 Ca -0.18 -0.97 -0.34 0.00 0.46 0.00 0.00 57.72 56.68 1kvj n HIS 76 Cb 0.56 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 30.02 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 -2.15 4.83 -0.68 0.26 -0.87 -1.23 -4.83 114.94 110.27 1kvj s ASN 77 Ca 0.41 0.02 -0.06 0.00 -1.57 0.00 0.00 52.86 51.66 1kvj s ASN 77 Cb 0.34 -1.31 -0.11 0.00 -0.02 0.00 0.00 41.25 40.15 1kvj s ASN 77 CO 0.07 0.35 2.45 -0.81 -2.57 0.00 0.00 177.10 176.59 1kvj n PRO 78 N 2.30 2.07 0.00 -0.60 -0.04 -1.26 -5.07 135.00 132.41 1kvj n PRO 78 Ca -0.18 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1kvj n PRO 78 Cb 0.53 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1kvj n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21