#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 -0.85 0.00 6.12 8.00 -1.26 -4.92 116.55 123.65 1kvi n ASP 2 Ca 0.00 -3.38 0.11 0.00 0.71 0.00 0.00 54.79 52.23 1kvi n ASP 2 Cb 0.00 0.73 0.63 0.00 -0.02 0.00 0.00 41.12 42.46 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1kvi n PRO 3 N 0.32 0.60 -3.55 -0.24 -0.04 -1.26 -4.87 135.00 125.96 1kvi n PRO 3 Ca 0.15 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 1kvi n PRO 3 Cb 0.68 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.71 1kvi n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kvi n SER 4 N -1.07 -2.49 -2.24 3.54 2.88 -1.26 -1.83 113.62 111.15 1kvi n SER 4 Ca 0.15 -0.67 -0.16 0.00 -1.33 0.00 0.00 58.87 56.86 1kvi n SER 4 Cb 0.10 -4.76 0.03 0.00 -0.75 0.00 0.00 64.21 58.82 1kvi n SER 4 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1kvi n MET 5 N -4.31 -3.50 -3.70 -1.46 1.56 -1.26 -3.51 117.12 100.93 1kvi n MET 5 Ca -0.24 0.67 -0.24 0.00 -0.27 0.00 0.00 57.70 57.62 1kvi n MET 5 Cb 0.65 -5.02 0.01 0.00 2.15 0.00 0.00 33.22 31.01 1kvi n MET 5 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kvi n GLY 6 N -1.31 -1.21 3.26 -5.12 0.00 -0.76 -4.98 105.19 95.07 1kvi n GLY 6 Ca -0.09 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 1kvi n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvi s VAL 7 N -3.11 0.07 0.10 1.61 1.01 -1.20 -4.20 120.40 114.68 1kvi s VAL 7 Ca 0.11 -1.66 -0.00 0.00 0.00 0.00 0.00 61.98 60.44 1kvi s VAL 7 Cb -0.05 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1kvi s VAL 7 CO 0.88 -0.34 -0.01 0.20 0.00 0.00 0.00 175.10 175.83 1kvi s ASN 8 N -3.02 0.69 -0.02 3.32 0.01 -0.93 -4.86 114.94 110.13 1kvi s ASN 8 Ca 0.22 -1.08 0.05 0.00 -0.71 0.00 0.00 52.86 51.35 1kvi s ASN 8 Cb 0.05 0.19 -0.01 0.00 0.41 0.00 0.00 41.25 41.89 1kvi s ASN 8 CO 0.02 -0.60 -0.18 -0.55 -1.51 0.00 0.00 177.10 174.28 1kvi s SER 9 N -3.01 2.14 -0.08 -1.22 0.15 -1.26 -1.12 113.70 109.29 1kvi s SER 9 Ca 0.15 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1kvi s SER 9 Cb 0.07 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1kvi s SER 9 CO -0.04 0.21 -0.12 -0.69 1.20 0.00 0.00 173.24 173.80 1kvi s VAL 10 N -0.34 1.21 -0.02 4.45 1.01 0.83 -4.98 120.40 122.57 1kvi s VAL 10 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1kvi s VAL 10 Cb -0.08 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1kvi s VAL 10 CO -0.00 0.38 -0.04 0.42 0.00 0.00 0.00 175.10 175.85 1kvi s THR 11 N 0.88 3.85 0.05 3.92 -4.23 -1.26 -1.85 115.64 116.99 1kvi s THR 11 Ca -0.10 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1kvi s THR 11 Cb -0.15 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 1kvi s THR 11 CO 0.01 0.45 -0.04 0.27 -0.54 0.00 0.00 174.62 174.77 1kvi s ILE 12 N -0.97 0.32 0.39 2.99 -5.25 -0.68 -1.28 121.20 116.71 1kvi s ILE 12 Ca 0.16 -1.38 0.05 0.00 -0.99 0.00 0.00 60.65 58.50 1kvi s ILE 12 Cb -0.11 -0.93 -0.00 0.00 2.95 0.00 0.00 42.46 44.37 1kvi s ILE 12 CO 0.06 -0.69 0.55 -0.44 -1.79 0.00 0.00 174.94 172.64 1kvi s SER 13 N -2.17 5.84 -0.00 4.36 0.01 0.61 -0.69 113.70 121.65 1kvi s SER 13 Ca -0.04 -0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 1kvi s SER 13 Cb -0.02 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1kvi s SER 13 CO -0.04 -0.60 0.12 -0.69 0.41 0.00 0.00 173.24 172.44 1kvi s VAL 14 N -2.33 0.08 0.00 3.43 1.01 -0.06 -1.66 120.40 120.86 1kvi s VAL 14 Ca 0.48 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1kvi s VAL 14 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1kvi s VAL 14 CO 0.33 -0.35 0.67 1.21 0.00 0.00 0.00 175.10 176.97 1kvi n GLU 15 N 1.65 0.00 -3.15 2.72 2.13 -1.22 -4.51 120.64 118.26 1kvi n GLU 15 Ca -0.22 -0.37 -0.17 0.00 0.66 0.00 0.00 57.16 57.06 1kvi n GLU 15 Cb 0.56 -0.19 -0.06 0.00 0.27 0.00 0.00 31.44 32.03 1kvi n GLU 15 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1kvi s GLY 16 N -0.36 0.16 0.00 8.31 0.00 -1.26 -4.99 107.32 109.18 1kvi s GLY 16 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1kvi s GLY 16 CO 0.00 2.76 0.00 1.03 0.00 0.00 0.00 173.10 176.89 1kvi n MET 17 N 3.00 1.56 0.00 2.90 2.81 -1.26 -4.50 117.12 121.63 1kvi n MET 17 Ca 0.24 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1kvi n MET 17 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1kvi n MET 17 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1kvi n THR 18 N 0.00 0.00 -4.27 2.03 -2.24 -1.26 -5.08 114.28 103.46 1kvi n THR 18 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1kvi n THR 18 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvi h ASN 20 N 1.84 -0.04 -0.24 0.00 7.08 -2.02 1.09 115.58 123.28 1kvi h ASN 20 Ca -0.44 0.24 0.07 0.00 -3.08 0.00 0.00 56.30 53.08 1kvi h ASN 20 Cb 1.25 0.33 -0.01 0.00 -2.08 0.00 0.00 38.32 37.81 1kvi h ASN 20 CO 0.61 -0.27 0.75 0.77 -2.08 0.00 0.00 177.43 177.21 1kvi h SER 21 N 0.11 0.00 0.00 6.14 4.64 -1.95 -2.26 113.55 120.24 1kvi h SER 21 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1kvi h SER 21 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1kvi h SER 21 CO -0.76 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.20 1kvi h VAL 23 N 0.00 1.31 -0.22 0.00 3.04 -1.75 -2.65 116.25 115.98 1kvi h VAL 23 Ca 0.00 -1.91 -0.01 0.00 -1.01 0.00 0.00 66.70 63.77 1kvi h VAL 23 Cb 0.00 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1kvi h VAL 23 CO 0.00 0.60 0.11 -0.50 -1.01 0.00 0.00 177.57 176.77 1kvi h TRP 24 N 0.47 0.32 -0.45 3.17 6.55 -1.57 1.25 115.95 125.69 1kvi h TRP 24 Ca -0.02 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.75 1kvi h TRP 24 Cb 1.24 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 29.42 1kvi h TRP 24 CO 0.06 0.31 0.02 1.15 -1.05 0.00 0.00 178.44 178.93 1kvi h THR 25 N 0.23 1.23 -0.37 1.49 2.02 -1.43 0.57 112.91 116.64 1kvi h THR 25 Ca 0.08 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.24 1kvi h THR 25 Cb 0.11 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1kvi h THR 25 CO -0.01 0.32 -0.14 0.40 0.37 0.00 0.00 175.52 176.46 1kvi h ILE 26 N 0.68 1.28 0.00 3.11 2.04 -1.01 -2.61 117.51 120.99 1kvi h ILE 26 Ca 0.14 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 1kvi h ILE 26 Cb 0.40 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1kvi h ILE 26 CO 0.01 0.41 -0.25 -0.33 0.00 0.00 0.00 178.15 177.99 1kvi h GLU 27 N 0.54 0.00 -0.04 2.37 3.07 0.21 -1.71 114.58 119.02 1kvi h GLU 27 Ca 0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1kvi h GLU 27 Cb 0.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1kvi h GLU 27 CO 0.05 0.25 -0.01 0.37 -1.40 0.00 0.00 179.01 178.27 1kvi h GLN 28 N 0.00 0.08 0.41 2.33 -0.00 -0.56 -1.02 115.11 116.36 1kvi h GLN 28 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1kvi h GLN 28 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1kvi h GLN 28 CO 0.03 0.43 -0.20 1.96 0.00 0.00 0.00 178.83 181.05 1kvi h GLN 29 N -0.26 -0.53 -0.68 1.69 4.20 -1.28 0.36 115.11 118.60 1kvi h GLN 29 Ca 0.01 0.04 0.20 0.00 0.06 0.00 0.00 58.65 58.95 1kvi h GLN 29 Cb 0.39 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1kvi h GLN 29 CO 0.00 -0.23 0.51 0.97 -0.67 0.00 0.00 178.83 179.41 1kvi h ILE 30 N -0.82 0.60 0.00 2.54 2.10 -1.38 0.80 117.51 121.35 1kvi h ILE 30 Ca -0.06 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.85 1kvi h ILE 30 Cb 0.54 0.64 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1kvi h ILE 30 CO 0.09 0.00 -0.77 1.23 -1.08 0.00 0.00 178.15 177.62 1kvi h GLY 31 N 0.00 0.00 -2.58 8.18 0.00 -0.78 -3.27 103.07 104.61 1kvi h GLY 31 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1kvi h GLY 31 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1kvi n LYS 32 N -2.86 2.94 0.05 4.80 4.81 0.23 -4.18 118.16 123.95 1kvi n LYS 32 Ca -0.00 -2.64 -0.05 0.00 -0.87 0.00 0.00 58.31 54.75 1kvi n LYS 32 Cb 0.60 -1.60 -0.10 0.00 0.02 0.00 0.00 35.03 33.96 1kvi n LYS 32 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1kvi h VAL 33 N 3.96 1.30 0.00 3.15 3.04 -0.33 -3.49 116.25 123.88 1kvi h VAL 33 Ca 0.00 -2.97 0.00 0.00 -1.01 0.00 0.00 66.70 62.72 1kvi h VAL 33 Cb 1.05 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1kvi h VAL 33 CO 0.04 0.74 0.00 -3.20 -1.01 0.00 0.00 177.57 174.14 1kvi n ASN 34 N -3.23 1.91 -1.57 3.17 2.85 -1.26 -4.99 115.26 112.14 1kvi n ASN 34 Ca -0.04 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.38 1kvi n ASN 34 Cb 0.92 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.96 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kvi n GLY 35 N 0.00 2.94 3.63 8.20 0.00 -1.26 -4.90 105.19 113.81 1kvi n GLY 35 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1kvi n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvi s VAL 36 N -0.72 3.53 0.00 1.61 1.01 -1.26 -3.88 120.40 120.69 1kvi s VAL 36 Ca 0.10 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1kvi s VAL 36 Cb 0.08 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1kvi s VAL 36 CO 0.00 -0.21 0.18 1.41 0.00 0.00 0.00 175.10 176.48 1kvi n HIS 37 N 8.66 0.00 -4.42 5.22 8.25 -1.26 -4.90 115.22 126.78 1kvi n HIS 37 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 1kvi n HIS 37 Cb 0.45 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 1kvi n HIS 37 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1kvi s HIS 38 N -0.37 1.73 0.31 4.41 -3.43 -1.26 -5.04 115.29 111.64 1kvi s HIS 38 Ca 0.00 -1.26 -0.17 0.00 -0.80 0.00 0.00 55.06 52.84 1kvi s HIS 38 Cb 0.00 -1.04 0.03 0.00 -1.43 0.00 0.00 32.58 30.13 1kvi s HIS 38 CO 0.00 -0.34 0.68 0.96 -2.00 0.00 0.00 174.74 174.04 1kvi s ILE 39 N -3.42 0.00 -0.16 -5.38 -0.00 -1.26 -2.67 121.20 108.31 1kvi s ILE 39 Ca 0.32 -1.12 -0.29 0.00 -0.00 0.00 0.00 60.65 59.56 1kvi s ILE 39 Cb 0.05 -2.36 0.11 0.00 -0.00 0.00 0.00 42.46 40.26 1kvi s ILE 39 CO 0.16 0.00 0.92 -0.54 -0.00 0.00 0.00 174.94 175.48 1kvi s LYS 40 N -3.37 0.69 0.23 0.37 1.02 0.55 -4.97 119.74 114.26 1kvi s LYS 40 Ca 0.16 0.26 0.10 0.00 0.02 0.00 0.00 55.97 56.51 1kvi s LYS 40 Cb -0.04 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 1kvi s LYS 40 CO 0.10 -0.20 -0.18 0.14 -0.92 0.00 0.00 175.35 174.29 1kvi s VAL 41 N -0.89 2.10 -0.41 3.17 -7.23 -1.26 -0.25 120.40 115.63 1kvi s VAL 41 Ca -0.03 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 57.92 1kvi s VAL 41 Cb -0.01 -2.14 0.17 0.00 0.56 0.00 0.00 36.38 34.96 1kvi s VAL 41 CO 0.02 -0.46 0.45 -0.55 -0.31 0.00 0.00 175.10 174.25 1kvi s SER 42 N -3.30 0.59 0.60 4.85 0.15 -0.74 -4.97 113.70 110.87 1kvi s SER 42 Ca 0.25 -1.93 0.28 0.00 0.70 0.00 0.00 55.95 55.25 1kvi s SER 42 Cb -0.03 0.65 1.42 0.00 -1.71 0.00 0.00 66.02 66.35 1kvi s SER 42 CO 0.10 -0.19 1.82 0.17 1.20 0.00 0.00 173.24 176.35 1kvi h LEU 43 N 6.32 0.00 -0.86 3.45 8.10 -1.96 0.36 115.31 130.72 1kvi h LEU 43 Ca 0.11 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.22 1kvi h LEU 43 Cb 1.04 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.17 1kvi h LEU 43 CO 0.20 0.00 0.48 -0.08 -4.11 0.00 0.00 178.44 174.92 1kvi h GLU 44 N 0.00 0.72 -0.33 0.17 4.22 -1.94 -1.68 114.58 115.73 1kvi h GLU 44 Ca 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1kvi h GLU 44 Cb 1.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1kvi h GLU 44 CO -0.00 0.48 0.00 0.39 -2.18 0.00 0.00 179.01 177.69 1kvi n GLU 45 N -4.78 2.91 -3.47 1.92 1.02 0.03 -5.01 120.64 113.27 1kvi n GLU 45 Ca 0.16 -2.28 -0.15 0.00 -0.02 0.00 0.00 57.16 54.87 1kvi n GLU 45 Cb 0.36 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1kvi n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kvi n LYS 46 N 0.26 -1.42 -3.36 3.49 5.02 -0.63 -4.82 118.16 116.69 1kvi n LYS 46 Ca 0.15 1.05 -0.01 0.00 -2.02 0.00 0.00 58.31 57.47 1kvi n LYS 46 Cb 0.56 -3.92 0.02 0.00 -0.02 0.00 0.00 35.03 31.67 1kvi n LYS 46 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1kvi n ASN 47 N -2.26 -1.27 -3.64 4.39 6.94 -1.22 -0.88 115.26 117.31 1kvi n ASN 47 Ca -0.17 -1.61 -0.11 0.00 -0.02 0.00 0.00 54.58 52.68 1kvi n ASN 47 Cb 0.60 2.06 -0.07 0.00 -2.36 0.00 0.00 39.78 40.01 1kvi n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kvi s ALA 48 N -1.80 -1.90 -0.15 -2.53 0.00 0.13 -1.80 121.76 113.71 1kvi s ALA 48 Ca 0.19 2.05 -0.03 0.00 0.00 0.00 0.00 51.96 54.17 1kvi s ALA 48 Cb -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1kvi s ALA 48 CO 0.03 -0.31 -0.05 -0.08 0.00 0.00 0.00 175.76 175.35 1kvi s THR 49 N 0.58 3.74 0.02 0.00 -1.32 0.65 -1.69 115.64 117.62 1kvi s THR 49 Ca -0.01 -0.41 -0.05 0.00 -1.21 0.00 0.00 61.69 60.01 1kvi s THR 49 Cb -0.05 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.31 1kvi s THR 49 CO -0.06 0.50 0.08 0.27 -2.21 0.00 0.00 174.62 173.21 1kvi s ILE 50 N 0.31 0.11 0.44 5.08 -5.25 -0.77 -0.33 121.20 120.79 1kvi s ILE 50 Ca -0.05 -0.91 0.04 0.00 -0.99 0.00 0.00 60.65 58.74 1kvi s ILE 50 Cb -0.14 -0.58 0.04 0.00 2.95 0.00 0.00 42.46 44.73 1kvi s ILE 50 CO 0.03 -0.50 0.33 2.30 -1.79 0.00 0.00 174.94 175.31 1kvi n ILE 51 N 1.22 0.00 -3.65 8.37 -6.64 -1.09 -0.12 119.36 117.45 1kvi n ILE 51 Ca -0.22 -1.75 -0.02 0.00 -1.77 0.00 0.00 62.75 58.99 1kvi n ILE 51 Cb 0.57 -0.12 -0.07 0.00 -1.44 0.00 0.00 39.64 38.58 1kvi n ILE 51 CO 0.00 0.00 0.00 -0.72 -1.77 0.00 0.00 176.55 174.06 1kvi s TYR 52 N -2.19 -0.28 -0.18 4.28 1.13 -0.28 -4.54 117.35 115.29 1kvi s TYR 52 Ca 0.25 0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 56.21 1kvi s TYR 52 Cb -0.02 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 41.08 1kvi s TYR 52 CO 0.16 -0.14 1.49 -0.51 -2.51 0.00 0.00 175.55 174.05 1kvi s ASP 53 N 0.83 6.63 0.35 -0.18 1.01 -1.25 -2.19 116.67 121.86 1kvi s ASP 53 Ca -0.04 1.72 0.17 0.00 0.71 0.00 0.00 52.55 55.11 1kvi s ASP 53 Cb -0.04 -2.53 0.59 0.00 1.01 0.00 0.00 42.92 41.95 1kvi s ASP 53 CO -0.12 -1.03 1.70 1.55 0.21 0.00 0.00 175.17 177.47 1kvi h PRO 54 N 9.63 0.00 0.00 8.23 0.13 -1.73 1.13 132.00 149.39 1kvi h PRO 54 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1kvi h PRO 54 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1kvi h PRO 54 CO 0.99 0.42 0.00 0.36 -0.23 0.00 0.00 178.00 179.54 1kvi n LYS 55 N -3.56 0.19 0.00 0.86 2.85 -1.26 -3.56 118.16 113.68 1kvi n LYS 55 Ca -0.00 0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1kvi n LYS 55 Cb 0.54 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 1kvi n LYS 55 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1kvi n LEU 56 N -2.19 0.68 0.00 -5.58 7.99 -0.98 -5.10 117.00 111.82 1kvi n LEU 56 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1kvi n LEU 56 Cb 0.24 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1kvi n LEU 56 CO 0.20 0.11 0.00 0.00 -1.51 0.00 0.00 177.39 176.19 1kvi n GLN 57 N -1.99 1.06 -3.71 3.23 1.13 0.39 -5.01 117.38 112.47 1kvi n GLN 57 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1kvi n GLN 57 Cb 0.45 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.82 1kvi n GLN 57 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1kvi n THR 58 N 0.00 0.00 0.33 5.09 -2.24 -1.26 -4.04 114.28 112.15 1kvi n THR 58 Ca 0.00 -0.49 0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1kvi n THR 58 Cb 0.00 0.70 0.62 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.07 -0.78 0.13 -1.95 -3.08 132.00 126.25 1kvi h PRO 59 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1kvi h PRO 59 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kvi h PRO 59 CO 0.33 0.00 0.01 0.87 -0.23 0.00 0.00 178.00 178.99 1kvi h LYS 60 N 0.00 0.11 -0.80 0.86 1.57 -2.00 -2.46 116.57 113.86 1kvi h LYS 60 Ca 0.00 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1kvi h LYS 60 Cb 0.45 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.64 1kvi h LYS 60 CO 0.00 0.33 0.31 1.15 -0.57 0.00 0.00 179.45 180.67 1kvi h THR 61 N -0.13 0.59 -0.69 -0.16 2.02 -1.95 0.41 112.91 113.00 1kvi h THR 61 Ca 0.02 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1kvi h THR 61 Cb 0.27 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1kvi h THR 61 CO 0.00 0.08 0.40 -0.07 0.37 0.00 0.00 175.52 176.30 1kvi h LEU 62 N 0.41 0.61 -0.50 2.58 4.07 -1.60 0.69 115.31 121.57 1kvi h LEU 62 Ca 0.45 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.45 1kvi h LEU 62 Cb 0.75 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1kvi h LEU 62 CO -0.45 0.40 0.32 -0.61 -1.08 0.00 0.00 178.44 177.01 1kvi h GLN 63 N 0.74 0.63 -0.07 1.13 4.15 0.19 -1.58 115.11 120.30 1kvi h GLN 63 Ca 0.30 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.58 1kvi h GLN 63 Cb 0.16 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1kvi h GLN 63 CO -0.17 0.42 -0.43 1.49 -1.93 0.00 0.00 178.83 178.20 1kvi h GLU 64 N 0.65 0.16 0.71 1.69 4.81 0.19 -2.74 114.58 120.03 1kvi h GLU 64 Ca 0.19 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1kvi h GLU 64 Cb -0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1kvi h GLU 64 CO -0.06 0.56 -0.48 0.00 -0.73 0.00 0.00 179.01 178.31 1kvi h ALA 65 N 1.43 -1.18 -0.54 2.92 0.00 0.13 0.14 119.26 122.15 1kvi h ALA 65 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1kvi h ALA 65 Cb 0.82 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1kvi h ALA 65 CO 0.06 -1.19 0.28 0.82 0.00 0.00 0.00 179.25 179.23 1kvi h ILE 66 N -1.12 0.96 0.00 0.00 2.04 -1.46 0.19 117.51 118.12 1kvi h ILE 66 Ca -0.09 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1kvi h ILE 66 Cb 0.92 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1kvi h ILE 66 CO 0.07 0.10 0.00 -0.78 0.00 0.00 0.00 178.15 177.54 1kvi h ASP 67 N 0.55 0.00 0.18 1.72 1.82 -1.21 -1.00 116.42 118.48 1kvi h ASP 67 Ca 0.24 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.62 1kvi h ASP 67 Cb 0.14 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.17 1kvi h ASP 67 CO -0.16 0.00 -1.17 -0.78 -1.61 0.00 0.00 179.24 175.52 1kvi h ASP 68 N 0.00 0.60 0.00 2.28 1.82 0.22 -3.41 116.42 117.93 1kvi h ASP 68 Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.71 1kvi h ASP 68 Cb 0.12 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1kvi h ASP 68 CO 0.00 1.56 -0.12 0.24 -1.61 0.00 0.00 179.24 179.31 1kvi h MET 69 N -0.16 0.00 0.00 0.28 2.86 -0.98 -3.50 114.93 113.43 1kvi h MET 69 Ca -0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1kvi h MET 69 Cb 1.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.53 1kvi h MET 69 CO 0.19 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.57 1kvi n GLY 70 N 1.78 1.27 3.34 8.32 0.00 -0.43 -5.08 105.19 114.40 1kvi n GLY 70 Ca -0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.47 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 1.10 -1.51 1.61 3.72 -1.26 -4.66 117.46 116.45 1kvi n PHE 71 Ca 0.00 0.59 -0.13 0.00 -0.05 0.00 0.00 57.45 57.87 1kvi n PHE 71 Cb 0.00 -2.35 -0.10 0.00 -0.94 0.00 0.00 39.48 36.09 1kvi n PHE 71 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1kvi n ASP 72 N 8.73 1.01 -4.36 4.37 5.68 -1.26 -4.87 116.55 125.86 1kvi n ASP 72 Ca 0.55 -1.96 -0.32 0.00 -0.50 0.00 0.00 54.79 52.56 1kvi n ASP 72 Cb 0.03 -1.54 -0.15 0.00 -1.14 0.00 0.00 41.12 38.32 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kvi s ALA 73 N 14.09 2.43 -0.02 2.12 0.00 -1.26 -3.42 121.76 135.70 1kvi s ALA 73 Ca 0.81 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1kvi s ALA 73 Cb -0.12 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1kvi s ALA 73 CO 0.16 0.43 -0.09 0.54 0.00 0.00 0.00 175.76 176.80 1kvi s VAL 74 N -0.26 3.51 0.65 0.00 0.11 -0.67 -4.86 120.40 118.88 1kvi s VAL 74 Ca 0.00 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1kvi s VAL 74 Cb -0.13 -2.48 0.03 0.00 -1.53 0.00 0.00 36.38 32.27 1kvi s VAL 74 CO 0.03 0.47 0.97 -0.63 -3.33 0.00 0.00 175.10 172.61 1kvi s ILE 75 N -0.91 3.06 0.00 7.04 1.01 -1.26 0.22 121.20 130.37 1kvi s ILE 75 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1kvi s ILE 75 Cb -0.11 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1kvi s ILE 75 CO 0.05 -0.29 0.63 1.57 0.00 0.00 0.00 174.94 176.90 1kvi n HIS 76 N -2.77 0.00 -4.79 3.97 -0.00 -0.41 -4.78 115.22 106.44 1kvi n HIS 76 Ca 0.06 -0.15 -0.33 0.00 0.46 0.00 0.00 57.72 57.77 1kvi n HIS 76 Cb 0.59 -0.01 -0.15 0.00 -0.12 0.00 0.00 29.99 30.29 1kvi n HIS 76 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1kvi s ASN 77 N -0.29 3.78 0.15 0.26 -0.87 -1.26 -4.98 114.94 111.74 1kvi s ASN 77 Ca 0.00 -0.40 -0.08 0.00 -1.57 0.00 0.00 52.86 50.81 1kvi s ASN 77 Cb 0.00 -1.57 -0.01 0.00 -0.02 0.00 0.00 41.25 39.65 1kvi s ASN 77 CO 0.00 0.14 1.44 1.55 -2.57 0.00 0.00 177.10 177.66 1kvi h PRO 78 N 6.86 0.72 0.00 -0.60 0.13 -1.98 -3.49 132.00 133.64 1kvi h PRO 78 Ca -0.26 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1kvi h PRO 78 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1kvi h PRO 78 CO 0.54 1.10 0.00 -0.25 -0.23 0.00 0.00 178.00 179.16