#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvi n ASP 2 N 0.00 -1.84 0.00 7.83 -0.08 -1.26 -4.95 116.55 116.25 1kvi n ASP 2 Ca 0.00 -2.74 0.11 0.00 -1.51 0.00 0.00 54.79 50.64 1kvi n ASP 2 Cb 0.00 1.43 0.63 0.00 2.34 0.00 0.00 41.12 45.52 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1kvi n PRO 3 N 0.05 0.59 0.00 -0.67 -0.04 -1.26 -3.09 135.00 130.57 1kvi n PRO 3 Ca -0.03 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1kvi n PRO 3 Cb 0.74 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.94 1kvi n PRO 3 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kvi n SER 4 N -1.08 0.00 -2.06 3.54 7.64 -1.26 -4.84 113.62 115.55 1kvi n SER 4 Ca 0.15 0.40 -0.11 0.00 1.01 0.00 0.00 58.87 60.32 1kvi n SER 4 Cb 0.10 -0.44 0.04 0.00 -1.01 0.00 0.00 64.21 62.90 1kvi n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1kvi n MET 5 N -1.44 -3.83 0.00 1.43 2.81 -1.18 -3.36 117.12 111.54 1kvi n MET 5 Ca 0.03 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1kvi n MET 5 Cb 0.11 -4.17 0.00 0.00 -0.71 0.00 0.00 33.22 28.45 1kvi n MET 5 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kvi n GLY 6 N -1.22 2.19 3.65 3.03 0.00 -1.26 -4.93 105.19 106.66 1kvi n GLY 6 Ca -0.02 -0.42 -0.47 0.00 0.00 0.00 0.00 46.02 45.12 1kvi n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kvi n VAL 7 N 0.00 0.39 -4.52 1.61 0.24 -1.21 -4.28 118.33 110.56 1kvi n VAL 7 Ca 0.00 -0.10 -0.26 0.00 -2.04 0.00 0.00 64.34 61.94 1kvi n VAL 7 Cb 0.00 -1.36 -0.05 0.00 -1.47 0.00 0.00 33.84 30.96 1kvi n VAL 7 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1kvi n ASN 8 N 2.75 3.06 -4.39 -1.34 2.85 -1.03 -4.73 115.26 112.44 1kvi n ASN 8 Ca 0.15 -2.78 -0.32 0.00 -0.11 0.00 0.00 54.58 51.53 1kvi n ASN 8 Cb 0.28 0.25 -0.15 0.00 1.24 0.00 0.00 39.78 41.40 1kvi n ASN 8 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1kvi s SER 9 N -3.31 3.48 0.00 1.20 0.15 -1.26 -0.93 113.70 113.03 1kvi s SER 9 Ca 0.03 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1kvi s SER 9 Cb -0.00 -0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1kvi s SER 9 CO 0.02 0.32 -0.01 -0.69 1.20 0.00 0.00 173.24 174.09 1kvi s VAL 10 N -0.69 0.03 0.26 4.45 1.01 0.11 -4.94 120.40 120.64 1kvi s VAL 10 Ca 0.11 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1kvi s VAL 10 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1kvi s VAL 10 CO 0.00 -0.05 -0.05 0.42 0.00 0.00 0.00 175.10 175.42 1kvi s THR 11 N -0.17 3.26 -0.02 3.92 -4.23 -1.26 -1.56 115.64 115.58 1kvi s THR 11 Ca -0.02 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1kvi s THR 11 Cb -0.01 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1kvi s THR 11 CO -0.00 -0.35 -0.04 0.27 -0.54 0.00 0.00 174.62 173.96 1kvi s ILE 12 N -2.29 0.39 0.06 2.99 -5.25 -0.06 -2.10 121.20 114.96 1kvi s ILE 12 Ca 0.30 -0.16 -0.25 0.00 -0.99 0.00 0.00 60.65 59.56 1kvi s ILE 12 Cb -0.06 -0.37 -0.06 0.00 2.95 0.00 0.00 42.46 44.91 1kvi s ILE 12 CO 0.19 0.14 0.76 -0.55 -1.79 0.00 0.00 174.94 173.69 1kvi s SER 13 N 0.24 7.24 0.00 4.36 0.15 -0.49 -1.65 113.70 123.55 1kvi s SER 13 Ca -0.02 1.48 0.07 0.00 0.70 0.00 0.00 55.95 58.17 1kvi s SER 13 Cb -0.06 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1kvi s SER 13 CO -0.00 0.05 -0.21 -0.69 1.20 0.00 0.00 173.24 173.59 1kvi s VAL 14 N -0.24 2.55 -0.41 4.45 1.01 -0.58 -1.68 120.40 125.50 1kvi s VAL 14 Ca 0.38 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1kvi s VAL 14 Cb -0.21 -2.00 0.38 0.00 0.00 0.00 0.00 36.38 34.55 1kvi s VAL 14 CO 0.23 0.47 1.24 1.21 0.00 0.00 0.00 175.10 178.25 1kvi n GLU 15 N 2.00 1.14 0.00 2.72 2.13 -1.12 -4.59 120.64 122.93 1kvi n GLU 15 Ca -0.16 -2.05 0.00 0.00 0.66 0.00 0.00 57.16 55.61 1kvi n GLU 15 Cb 0.52 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 31.77 1kvi n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kvi n GLY 16 N -0.28 -0.28 0.00 8.31 0.00 -1.26 -4.86 105.19 106.81 1kvi n GLY 16 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kvi n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kvi n MET 17 N 0.00 3.07 0.00 1.61 2.81 -1.26 -4.48 117.12 118.87 1kvi n MET 17 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1kvi n MET 17 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1kvi n MET 17 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1kvi n THR 18 N 0.00 0.00 0.00 2.03 5.66 -1.26 -5.08 114.28 115.63 1kvi n THR 18 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kvi n THR 18 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kvi h ASN 20 N 0.00 0.00 0.00 0.00 -0.26 -2.02 -3.34 115.58 109.96 1kvi h ASN 20 Ca 0.00 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1kvi h ASN 20 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1kvi h ASN 20 CO 0.00 1.38 0.53 -1.28 -1.06 0.00 0.00 177.43 177.00 1kvi h SER 21 N -1.00 0.00 0.00 5.81 0.87 -1.97 -2.28 113.55 114.97 1kvi h SER 21 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1kvi h SER 21 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1kvi h SER 21 CO -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.12 1kvi h VAL 23 N 0.00 0.00 0.16 0.00 3.04 -1.79 -2.68 116.25 114.98 1kvi h VAL 23 Ca 0.00 -0.46 -0.34 0.00 -1.01 0.00 0.00 66.70 64.89 1kvi h VAL 23 Cb 0.00 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1kvi h VAL 23 CO 0.00 0.00 -1.72 -0.50 -1.01 0.00 0.00 177.57 174.34 1kvi h TRP 24 N 0.00 0.62 -0.46 3.17 6.55 -1.54 -2.43 115.95 121.86 1kvi h TRP 24 Ca 0.00 -0.45 -0.13 0.00 0.95 0.00 0.00 58.89 59.25 1kvi h TRP 24 Cb 0.54 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.81 1kvi h TRP 24 CO 0.00 1.67 -0.23 1.15 -1.05 0.00 0.00 178.44 179.98 1kvi h THR 25 N 0.01 1.27 -0.53 1.49 2.02 -1.21 -1.54 112.91 114.41 1kvi h THR 25 Ca -0.35 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.43 1kvi h THR 25 Cb 2.01 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 1kvi h THR 25 CO 0.14 0.48 0.33 0.40 0.37 0.00 0.00 175.52 177.23 1kvi h ILE 26 N 0.82 1.16 0.00 3.11 2.04 -1.58 -0.19 117.51 122.87 1kvi h ILE 26 Ca 0.10 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1kvi h ILE 26 Cb 0.81 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1kvi h ILE 26 CO 0.07 0.16 -0.02 -0.33 0.00 0.00 0.00 178.15 178.03 1kvi h GLU 27 N 0.72 0.00 -0.45 2.37 3.07 -1.14 -1.35 114.58 117.80 1kvi h GLU 27 Ca 0.19 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 1kvi h GLU 27 Cb -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1kvi h GLU 27 CO -0.04 0.02 0.01 0.37 -1.40 0.00 0.00 179.01 177.97 1kvi h GLN 28 N 0.00 0.78 0.45 2.33 -0.00 -0.00 -2.15 115.11 116.52 1kvi h GLN 28 Ca -0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.38 1kvi h GLN 28 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1kvi h GLN 28 CO 0.00 0.84 -0.22 1.96 0.00 0.00 0.00 178.83 181.42 1kvi h GLN 29 N 0.63 -0.58 -1.09 1.69 1.08 -0.82 0.27 115.11 116.29 1kvi h GLN 29 Ca 0.13 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.68 1kvi h GLN 29 Cb 0.48 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.00 1kvi h GLN 29 CO 0.02 -0.27 0.86 0.97 -0.95 0.00 0.00 178.83 179.46 1kvi h ILE 30 N -0.96 0.33 0.00 2.54 2.10 -1.38 1.84 117.51 121.99 1kvi h ILE 30 Ca -0.06 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 65.68 1kvi h ILE 30 Cb 0.57 0.38 -0.03 0.00 -1.09 0.00 0.00 36.82 36.65 1kvi h ILE 30 CO 0.10 0.00 -1.09 1.23 -1.08 0.00 0.00 178.15 177.31 1kvi h GLY 31 N 0.00 0.00 0.55 8.18 0.00 -1.01 -3.06 103.07 107.73 1kvi h GLY 31 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1kvi h GLY 31 CO -0.01 0.00 -0.00 0.28 0.00 0.00 0.00 176.54 176.81 1kvi n LYS 32 N -3.19 1.19 -0.06 4.80 4.76 0.61 -4.13 118.16 122.13 1kvi n LYS 32 Ca -0.04 -0.31 -0.06 0.00 -2.87 0.00 0.00 58.31 55.02 1kvi n LYS 32 Cb 0.90 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.58 1kvi n LYS 32 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1kvi n VAL 33 N -0.63 1.14 -4.07 -0.18 0.31 -0.02 -5.01 118.33 109.87 1kvi n VAL 33 Ca 0.22 0.23 -0.27 0.00 -0.01 0.00 0.00 64.34 64.51 1kvi n VAL 33 Cb 0.19 -2.07 -0.06 0.00 -0.91 0.00 0.00 33.84 31.00 1kvi n VAL 33 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1kvi s ASN 34 N -5.52 5.55 -0.54 4.52 3.84 -1.16 -4.97 114.94 116.65 1kvi s ASN 34 Ca -0.20 -0.10 -0.09 0.00 0.21 0.00 0.00 52.86 52.68 1kvi s ASN 34 Cb 0.03 -1.46 -0.08 0.00 -0.55 0.00 0.00 41.25 39.18 1kvi s ASN 34 CO 0.29 0.08 1.71 0.61 -2.79 0.00 0.00 177.10 177.01 1kvi n GLY 35 N -0.23 2.38 3.66 1.21 0.00 -1.26 -4.59 105.19 106.35 1kvi n GLY 35 Ca -0.08 -0.67 -0.50 0.00 0.00 0.00 0.00 46.02 44.76 1kvi n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kvi n VAL 36 N 4.97 0.20 0.06 1.61 0.24 -1.25 -4.16 118.33 120.01 1kvi n VAL 36 Ca 0.32 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.69 1kvi n VAL 36 Cb 0.16 -1.38 -0.06 0.00 -1.47 0.00 0.00 33.84 31.09 1kvi n VAL 36 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1kvi n HIS 37 N 4.35 0.66 -4.08 6.34 8.25 -1.25 -4.90 115.22 124.59 1kvi n HIS 37 Ca 0.20 0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.71 1kvi n HIS 37 Cb 0.24 -0.83 -0.15 0.00 1.12 0.00 0.00 29.99 30.37 1kvi n HIS 37 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1kvi s HIS 38 N -3.37 0.36 -0.04 4.41 5.65 -1.26 -4.94 115.29 116.10 1kvi s HIS 38 Ca -0.03 -0.06 -0.01 0.00 0.25 0.00 0.00 55.06 55.20 1kvi s HIS 38 Cb 0.11 -0.26 0.03 0.00 -1.18 0.00 0.00 32.58 31.28 1kvi s HIS 38 CO 0.83 -0.02 0.04 -1.50 -0.65 0.00 0.00 174.74 173.44 1kvi s ILE 39 N 0.05 -0.02 -0.00 0.89 2.07 -1.26 -1.74 121.20 121.20 1kvi s ILE 39 Ca -0.00 0.32 -0.05 0.00 -1.41 0.00 0.00 60.65 59.50 1kvi s ILE 39 Cb -0.03 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.37 1kvi s ILE 39 CO -0.00 0.17 0.10 -0.54 -1.91 0.00 0.00 174.94 172.76 1kvi s LYS 40 N 1.81 0.39 0.11 3.50 -0.14 -0.74 -5.01 119.74 119.66 1kvi s LYS 40 Ca 0.01 -0.34 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 1kvi s LYS 40 Cb -0.12 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 1kvi s LYS 40 CO -0.03 -0.09 -0.18 0.08 -0.76 0.00 0.00 175.35 174.37 1kvi s VAL 41 N -1.14 1.54 0.06 3.17 1.01 -1.26 -2.00 120.40 121.77 1kvi s VAL 41 Ca -0.12 -1.57 0.09 0.00 0.00 0.00 0.00 61.98 60.37 1kvi s VAL 41 Cb -0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1kvi s VAL 41 CO 0.01 -0.19 -0.24 -0.94 0.00 0.00 0.00 175.10 173.75 1kvi s SER 42 N -2.06 2.84 -0.03 3.32 1.04 -0.19 -4.98 113.70 113.63 1kvi s SER 42 Ca 0.06 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 1kvi s SER 42 Cb -0.09 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1kvi s SER 42 CO 0.04 0.19 -0.09 -0.11 0.98 0.00 0.00 173.24 174.25 1kvi n LEU 43 N 1.62 0.65 0.18 2.42 0.00 -1.26 -3.32 117.00 117.28 1kvi n LEU 43 Ca -0.17 0.10 0.10 0.00 0.00 0.00 0.00 56.01 56.04 1kvi n LEU 43 Cb 0.53 -0.44 0.53 0.00 0.00 0.00 0.00 43.42 44.04 1kvi n LEU 43 CO 0.23 -0.47 0.84 1.05 0.00 0.00 0.00 177.39 179.04 1kvi h GLU 44 N -0.26 0.00 -0.00 1.96 9.09 -2.00 0.21 114.58 123.58 1kvi h GLU 44 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1kvi h GLU 44 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1kvi h GLU 44 CO 0.00 0.00 -0.33 0.39 0.05 0.00 0.00 179.01 179.12 1kvi n GLU 45 N -2.23 4.03 -3.39 1.06 4.71 -1.26 -5.04 120.64 118.51 1kvi n GLU 45 Ca -0.01 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.16 56.86 1kvi n GLU 45 Cb 0.16 -0.90 0.01 0.00 -1.01 0.00 0.00 31.44 29.70 1kvi n GLU 45 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1kvi n LYS 46 N -1.03 -1.70 -3.84 3.49 5.02 0.06 -4.81 118.16 115.35 1kvi n LYS 46 Ca 0.02 1.31 -0.06 0.00 -2.02 0.00 0.00 58.31 57.56 1kvi n LYS 46 Cb 0.13 -3.70 0.02 0.00 -0.02 0.00 0.00 35.03 31.46 1kvi n LYS 46 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1kvi s ASN 47 N -2.61 0.00 0.00 4.39 -0.87 -1.21 -1.53 114.94 113.11 1kvi s ASN 47 Ca 0.12 -0.93 -0.19 0.00 -1.57 0.00 0.00 52.86 50.30 1kvi s ASN 47 Cb -0.02 0.69 0.04 0.00 -0.02 0.00 0.00 41.25 41.94 1kvi s ASN 47 CO 0.83 -1.37 0.41 0.00 -2.57 0.00 0.00 177.10 174.40 1kvi s ALA 48 N -2.26 -1.03 -0.05 0.60 0.00 -0.66 -1.02 121.76 117.34 1kvi s ALA 48 Ca 0.18 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1kvi s ALA 48 Cb -0.04 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1kvi s ALA 48 CO 0.09 -0.36 0.08 -0.08 0.00 0.00 0.00 175.76 175.49 1kvi s THR 49 N -1.78 -0.13 0.26 0.00 -1.32 -0.85 -0.88 115.64 110.94 1kvi s THR 49 Ca -0.10 0.36 -0.04 0.00 -1.21 0.00 0.00 61.69 60.70 1kvi s THR 49 Cb -0.02 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 1kvi s THR 49 CO 0.02 0.15 0.34 0.27 -2.21 0.00 0.00 174.62 173.19 1kvi s ILE 50 N 1.94 0.00 0.42 5.08 -5.25 -0.60 -1.79 121.20 121.00 1kvi s ILE 50 Ca 0.01 -1.72 0.07 0.00 -0.99 0.00 0.00 60.65 58.03 1kvi s ILE 50 Cb -0.12 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.82 1kvi s ILE 50 CO -0.04 0.00 0.31 -0.63 -1.79 0.00 0.00 174.94 172.80 1kvi s ILE 51 N -3.79 2.49 -0.29 8.37 1.01 -0.71 0.09 121.20 128.37 1kvi s ILE 51 Ca 0.32 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 1kvi s ILE 51 Cb 0.02 -2.95 0.12 0.00 0.01 0.00 0.00 42.46 39.66 1kvi s ILE 51 CO 0.14 0.00 0.80 -0.72 0.00 0.00 0.00 174.94 175.17 1kvi s TYR 52 N -2.53 -0.94 -0.05 3.97 1.13 -0.10 -3.90 117.35 114.93 1kvi s TYR 52 Ca 0.45 1.77 -0.30 0.00 -1.41 0.00 0.00 57.07 57.59 1kvi s TYR 52 Cb -0.01 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.36 1kvi s TYR 52 CO 0.26 -0.47 1.57 0.16 -2.51 0.00 0.00 175.55 174.56 1kvi s ASP 53 N 1.97 6.72 0.00 -0.18 -4.77 -1.26 -2.46 116.67 116.69 1kvi s ASP 53 Ca -0.08 2.17 0.12 0.00 -3.30 0.00 0.00 52.55 51.46 1kvi s ASP 53 Cb -0.06 -2.54 0.56 0.00 -1.09 0.00 0.00 42.92 39.79 1kvi s ASP 53 CO -0.18 -0.87 1.30 -0.81 0.70 0.00 0.00 175.17 175.31 1kvi n PRO 54 N 6.71 0.12 -0.28 2.11 -0.04 -1.26 -3.43 135.00 138.93 1kvi n PRO 54 Ca 0.16 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1kvi n PRO 54 Cb 0.43 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.55 1kvi n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvi h LYS 55 N 0.00 0.06 0.00 0.54 1.57 -1.91 -3.02 116.57 113.81 1kvi h LYS 55 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kvi h LYS 55 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1kvi h LYS 55 CO 0.00 0.04 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.78 1kvi h LEU 56 N 0.06 0.00 0.00 2.94 4.07 -1.98 -3.50 115.31 116.90 1kvi h LEU 56 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1kvi h LEU 56 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1kvi h LEU 56 CO -0.74 0.37 0.00 0.00 -1.08 0.00 0.00 178.44 176.99 1kvi n GLN 57 N -3.87 0.00 0.02 1.13 6.02 -1.14 -5.07 117.38 114.47 1kvi n GLN 57 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1kvi n GLN 57 Cb 0.04 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.30 1kvi n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1kvi n THR 58 N 0.00 0.00 0.15 5.09 -2.24 -1.26 -4.06 114.28 111.96 1kvi n THR 58 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1kvi n THR 58 Cb 0.00 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.43 1kvi n THR 58 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1kvi h PRO 59 N 0.00 0.00 0.00 -0.78 0.13 -1.99 -2.70 132.00 126.66 1kvi h PRO 59 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1kvi h PRO 59 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1kvi h PRO 59 CO 0.00 0.56 -1.75 1.63 -0.23 0.00 0.00 178.00 178.21 1kvi n LYS 60 N -3.68 0.64 0.09 0.86 5.02 -1.26 -3.62 118.16 116.22 1kvi n LYS 60 Ca -0.01 0.25 -0.05 0.00 -2.02 0.00 0.00 58.31 56.49 1kvi n LYS 60 Cb 0.61 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1kvi n LYS 60 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1kvi h THR 61 N 0.00 0.00 -1.03 -0.18 2.02 -1.88 0.62 112.91 112.46 1kvi h THR 61 Ca -0.30 -0.44 0.29 0.00 0.77 0.00 0.00 66.41 66.73 1kvi h THR 61 Cb 1.98 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.26 1kvi h THR 61 CO 0.07 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.51 1kvi h LEU 62 N -0.74 0.55 -0.11 2.58 4.07 -1.70 1.10 115.31 121.05 1kvi h LEU 62 Ca -0.03 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1kvi h LEU 62 Cb 0.23 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1kvi h LEU 62 CO 0.05 -0.00 -0.02 -0.61 -1.08 0.00 0.00 178.44 176.78 1kvi h GLN 63 N 0.42 0.21 0.00 1.13 -0.00 -1.62 -2.51 115.11 112.75 1kvi h GLN 63 Ca 0.68 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 59.23 1kvi h GLN 63 Cb 1.53 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.99 1kvi h GLN 63 CO -0.48 0.50 -0.12 1.49 0.00 0.00 0.00 178.83 180.22 1kvi h GLU 64 N -0.10 0.00 0.03 1.69 4.81 0.21 -2.17 114.58 119.06 1kvi h GLU 64 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1kvi h GLU 64 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1kvi h GLU 64 CO 0.01 0.12 -0.02 0.00 -0.73 0.00 0.00 179.01 178.39 1kvi h ALA 65 N 1.88 -0.73 -0.66 2.92 0.00 0.14 2.09 119.26 124.90 1kvi h ALA 65 Ca -0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1kvi h ALA 65 Cb 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1kvi h ALA 65 CO 0.02 -0.72 0.47 0.82 0.00 0.00 0.00 179.25 179.83 1kvi h ILE 66 N -0.06 0.69 0.17 0.00 5.03 -1.51 0.26 117.51 122.09 1kvi h ILE 66 Ca -0.00 -0.01 -0.31 0.00 -0.12 0.00 0.00 64.86 64.41 1kvi h ILE 66 Cb 0.03 0.64 0.03 0.00 -3.03 0.00 0.00 36.82 34.50 1kvi h ILE 66 CO 0.01 0.01 -1.33 -0.78 -0.68 0.00 0.00 178.15 175.37 1kvi h ASP 67 N 0.04 0.87 -0.88 1.72 3.58 -1.28 -2.34 116.42 118.14 1kvi h ASP 67 Ca 0.32 -0.85 0.17 0.00 0.42 0.00 0.00 57.03 57.09 1kvi h ASP 67 Cb 1.20 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.91 1kvi h ASP 67 CO -0.02 1.65 0.57 -0.78 -2.88 0.00 0.00 179.24 177.78 1kvi h ASP 68 N 0.23 0.52 0.00 2.28 1.82 0.56 -3.19 116.42 118.63 1kvi h ASP 68 Ca -0.21 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1kvi h ASP 68 Cb 2.01 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.96 1kvi h ASP 68 CO 0.25 0.24 -0.04 0.24 -1.61 0.00 0.00 179.24 178.32 1kvi h MET 69 N 0.53 0.00 0.00 0.28 2.86 -1.49 -3.49 114.93 113.62 1kvi h MET 69 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1kvi h MET 69 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1kvi h MET 69 CO -0.19 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.19 1kvi n GLY 70 N 1.85 1.34 3.61 8.32 0.00 -0.88 -5.10 105.19 114.32 1kvi n GLY 70 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kvi n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kvi n PHE 71 N 0.00 1.26 -1.09 1.61 3.72 -1.26 -4.74 117.46 116.96 1kvi n PHE 71 Ca 0.00 0.61 -0.43 0.00 -0.05 0.00 0.00 57.45 57.58 1kvi n PHE 71 Cb 0.00 -2.25 -0.07 0.00 -0.94 0.00 0.00 39.48 36.22 1kvi n PHE 71 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kvi n ASP 72 N 0.81 2.27 -4.24 4.37 2.03 -1.26 -4.83 116.55 115.70 1kvi n ASP 72 Ca 0.09 -2.65 -0.14 0.00 0.52 0.00 0.00 54.79 52.62 1kvi n ASP 72 Cb 0.36 -1.04 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvi s ALA 73 N 5.74 1.36 0.10 -1.67 0.00 -1.26 -2.78 121.76 123.25 1kvi s ALA 73 Ca 0.60 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1kvi s ALA 73 Cb 0.14 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1kvi s ALA 73 CO 0.16 -0.31 -0.16 0.54 0.00 0.00 0.00 175.76 175.99 1kvi s VAL 74 N -3.65 1.38 -0.01 0.00 0.11 -0.68 -4.95 120.40 112.61 1kvi s VAL 74 Ca 0.24 -1.56 0.03 0.00 -2.93 0.00 0.00 61.98 57.76 1kvi s VAL 74 Cb 0.06 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 1kvi s VAL 74 CO 0.04 -0.27 -0.08 0.27 -3.33 0.00 0.00 175.10 171.73 1kvi s ILE 75 N -1.64 3.53 0.08 7.04 -5.25 -1.26 -1.40 121.20 122.31 1kvi s ILE 75 Ca 0.05 -0.75 0.01 0.00 -0.99 0.00 0.00 60.65 58.97 1kvi s ILE 75 Cb -0.08 -2.50 -0.00 0.00 2.95 0.00 0.00 42.46 42.83 1kvi s ILE 75 CO 0.03 0.44 0.02 1.41 -1.79 0.00 0.00 174.94 175.06 1kvi n HIS 76 N 1.74 0.05 0.17 1.37 8.25 -0.89 -5.00 115.22 120.91 1kvi n HIS 76 Ca -0.16 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1kvi n HIS 76 Cb 0.53 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1kvi n HIS 76 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1kvi n ASN 77 N -1.84 -3.11 -2.96 0.41 4.13 -1.26 -4.27 115.26 106.36 1kvi n ASN 77 Ca -0.01 0.76 -0.21 0.00 1.68 0.00 0.00 54.58 56.79 1kvi n ASN 77 Cb 0.12 3.01 -0.04 0.00 -1.54 0.00 0.00 39.78 41.32 1kvi n ASN 77 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1kvi n PRO 78 N -3.26 2.15 0.00 3.52 -0.04 -1.26 -4.97 135.00 131.13 1kvi n PRO 78 Ca 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1kvi n PRO 78 Cb 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1kvi n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06