#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 -2.11 0.00 7.83 8.00 -1.26 -4.93 116.55 124.08 1kvi n ASP 2 Ca 0.00 -3.64 0.10 0.00 0.71 0.00 0.00 54.79 51.96 1kvi n ASP 2 Cb 0.00 1.73 0.54 0.00 -0.02 0.00 0.00 41.12 43.37 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 0.40 0.43 -2.77 -0.24 -0.04 -1.26 -4.12 135.00 127.39 1kvi n PRO 3 Ca 0.08 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1kvi n PRO 3 Cb 0.69 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.17 -3.38 -3.33 3.54 7.64 -1.26 -5.04 113.62 110.63 1kvi n SER 4 Ca 0.12 -2.93 -0.31 0.00 1.01 0.00 0.00 58.87 56.75 1kvi n SER 4 Cb 0.12 1.72 -0.02 0.00 -1.01 0.00 0.00 64.21 65.01 1kvi n SER 4 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1kvi n MET 5 N 2.86 2.45 0.00 1.43 1.56 -1.26 -3.84 117.12 120.32 1kvi n MET 5 Ca 0.18 -1.81 0.00 0.00 -0.27 0.00 0.00 57.70 55.80 1kvi n MET 5 Cb 0.56 -2.69 0.00 0.00 2.15 0.00 0.00 33.22 33.24 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 3.88 -1.35 3.58 -5.12 0.00 -1.26 -5.11 105.19 99.81 1kvi n GLY 6 Ca 0.54 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 2.11 0.29 1.61 1.01 -1.25 -3.82 120.40 120.35 1kvi s VAL 7 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1kvi s VAL 7 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1kvi s VAL 7 CO 0.00 -0.05 0.47 0.20 0.00 0.00 0.00 175.10 175.72 1kvi s ASN 8 N -2.90 0.33 0.07 3.32 0.01 -0.26 -4.86 114.94 110.65 1kvi s ASN 8 Ca 0.67 -1.20 0.06 0.00 -0.71 0.00 0.00 52.86 51.68 1kvi s ASN 8 Cb -0.22 0.62 -0.03 0.00 0.41 0.00 0.00 41.25 42.03 1kvi s ASN 8 CO 0.61 -1.22 -0.18 -0.94 -1.51 0.00 0.00 177.10 173.87 1kvi s SER 9 N -3.12 2.12 -0.05 -1.22 1.04 -1.26 -1.41 113.70 109.80 1kvi s SER 9 Ca 0.26 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 1kvi s SER 9 Cb -0.00 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1kvi s SER 9 CO 0.14 0.05 -0.00 0.54 0.98 0.00 0.00 173.24 174.94 1kvi s VAL 10 N -1.02 0.31 0.01 5.02 0.11 0.13 -4.96 120.40 120.00 1kvi s VAL 10 Ca 0.04 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1kvi s VAL 10 Cb -0.09 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1kvi s VAL 10 CO 0.02 0.21 -0.04 0.42 -3.33 0.00 0.00 175.10 172.39 1kvi s THR 11 N 1.42 3.88 0.21 5.04 -4.23 -1.26 -2.03 115.64 118.67 1kvi s THR 11 Ca -0.04 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1kvi s THR 11 Cb -0.13 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1kvi s THR 11 CO -0.03 0.36 0.25 0.27 -0.54 0.00 0.00 174.62 174.93 1kvi s ILE 12 N -1.06 0.01 -0.06 2.99 -5.25 -0.43 0.83 121.20 118.23 1kvi s ILE 12 Ca 0.19 -1.78 0.03 0.00 -0.99 0.00 0.00 60.65 58.10 1kvi s ILE 12 Cb -0.11 -2.36 -0.02 0.00 2.95 0.00 0.00 42.46 42.91 1kvi s ILE 12 CO 0.09 -0.03 -0.14 -0.55 -1.79 0.00 0.00 174.94 172.52 1kvi s SER 13 N -3.10 3.99 0.06 4.36 0.15 0.58 -1.45 113.70 118.28 1kvi s SER 13 Ca 0.32 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.82 1kvi s SER 13 Cb 0.04 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.35 1kvi s SER 13 CO 0.10 0.31 -0.17 -0.69 1.20 0.00 0.00 173.24 173.99 1kvi s VAL 14 N -0.54 2.86 0.00 4.45 1.01 -0.59 0.12 120.40 127.71 1kvi s VAL 14 Ca 0.07 -1.26 0.13 0.00 0.00 0.00 0.00 61.98 60.92 1kvi s VAL 14 Cb -0.12 -2.24 0.22 0.00 0.00 0.00 0.00 36.38 34.24 1kvi s VAL 14 CO 0.01 0.26 1.05 1.21 0.00 0.00 0.00 175.10 177.63 1kvi n GLU 15 N 1.30 0.00 -2.75 2.72 2.13 -0.01 -4.34 120.64 119.68 1kvi n GLU 15 Ca -0.16 -1.43 -0.04 0.00 0.66 0.00 0.00 57.16 56.20 1kvi n GLU 15 Cb 0.52 0.01 0.02 0.00 0.27 0.00 0.00 31.44 32.26 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 -1.43 -1.44 0.00 8.31 0.00 -1.24 -4.88 107.32 106.65 1kvi s GLY 16 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1kvi s GLY 16 CO -0.09 3.84 0.00 1.15 0.00 0.00 0.00 173.10 178.00 1kvi n MET 17 N 2.90 2.08 0.00 2.90 0.00 -1.26 -4.02 117.12 119.72 1kvi n MET 17 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1kvi n MET 17 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.80 1kvi n MET 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1kvi n THR 18 N 0.00 0.00 0.00 3.17 -2.24 -1.26 -4.98 114.28 108.97 1kvi n THR 18 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kvi n THR 18 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvi n ASN 20 N -1.56 0.00 0.31 0.00 2.85 -1.26 -4.82 115.26 110.78 1kvi n ASN 20 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1kvi n ASN 20 Cb 0.00 0.10 0.58 0.00 1.24 0.00 0.00 39.78 41.70 1kvi n ASN 20 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1kvi h SER 21 N 0.00 0.00 0.00 1.20 0.02 -1.95 -2.42 113.55 110.39 1kvi h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kvi h SER 21 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kvi h SER 21 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1kvi h VAL 23 N 0.00 1.44 -0.80 0.00 3.04 -1.93 -2.72 116.25 115.28 1kvi h VAL 23 Ca 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 66.70 62.65 1kvi h VAL 23 Cb 0.00 2.88 -0.04 0.00 -2.01 0.00 0.00 31.29 32.12 1kvi h VAL 23 CO 0.00 0.88 0.52 -0.50 -1.01 0.00 0.00 177.57 177.46 1kvi h TRP 24 N 0.06 1.02 0.13 3.17 6.55 -1.58 2.96 115.95 128.26 1kvi h TRP 24 Ca -0.15 0.02 -0.18 0.00 0.95 0.00 0.00 58.89 59.53 1kvi h TRP 24 Cb 1.96 -0.34 0.02 0.00 -0.86 0.00 0.00 29.16 29.94 1kvi h TRP 24 CO 0.05 0.65 -0.80 1.79 -1.05 0.00 0.00 178.44 179.08 1kvi h THR 25 N 1.09 1.50 0.62 1.49 1.35 -1.55 -2.66 112.91 114.75 1kvi h THR 25 Ca 0.29 -2.51 -0.03 0.00 -0.55 0.00 0.00 66.41 63.61 1kvi h THR 25 Cb -0.11 3.18 0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1kvi h THR 25 CO -0.06 0.71 -0.30 0.40 -0.25 0.00 0.00 175.52 176.02 1kvi h ILE 26 N -0.42 0.37 -0.86 6.82 2.04 -1.15 -2.13 117.51 122.19 1kvi h ILE 26 Ca -0.14 -0.10 0.19 0.00 1.00 0.00 0.00 64.86 65.80 1kvi h ILE 26 Cb 1.60 0.41 -0.16 0.00 -0.74 0.00 0.00 36.82 37.93 1kvi h ILE 26 CO 0.13 0.02 -0.13 -0.08 0.00 0.00 0.00 178.15 178.09 1kvi h GLU 27 N -0.90 0.02 -0.89 2.37 4.81 0.52 1.21 114.58 121.73 1kvi h GLU 27 Ca -0.08 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1kvi h GLU 27 Cb 0.66 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.95 1kvi h GLU 27 CO 0.14 0.02 0.50 0.37 -0.73 0.00 0.00 179.01 179.30 1kvi h GLN 28 N 0.02 0.72 0.04 1.92 4.15 -1.07 0.35 115.11 121.24 1kvi h GLN 28 Ca 0.44 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.82 1kvi h GLN 28 Cb 0.75 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1kvi h GLN 28 CO -0.84 0.47 -0.02 0.37 -1.93 0.00 0.00 178.83 176.88 1kvi h GLN 29 N 0.74 -0.05 -1.00 1.69 5.75 0.18 -2.03 115.11 120.39 1kvi h GLN 29 Ca 0.47 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 59.17 1kvi h GLN 29 Cb 0.59 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.05 1kvi h GLN 29 CO -0.32 0.61 0.61 0.82 -2.65 0.00 0.00 178.83 177.90 1kvi h ILE 30 N -0.84 0.70 -0.02 2.39 1.08 0.66 0.56 117.51 122.04 1kvi h ILE 30 Ca -0.01 -0.25 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 1kvi h ILE 30 Cb 0.68 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1kvi h ILE 30 CO 0.01 0.13 -0.61 1.23 -0.69 0.00 0.00 178.15 178.22 1kvi h GLY 31 N 0.73 0.09 0.78 5.37 0.00 -0.35 -2.58 103.07 107.11 1kvi h GLY 31 Ca 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1kvi h GLY 31 CO -0.36 0.10 -0.03 1.17 0.00 0.00 0.00 176.54 177.42 1kvi n LYS 32 N -3.83 0.98 -0.02 4.80 4.81 0.17 -3.81 118.16 121.26 1kvi n LYS 32 Ca -0.02 -0.23 -0.17 0.00 -0.87 0.00 0.00 58.31 57.02 1kvi n LYS 32 Cb 0.61 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.03 1kvi n LYS 32 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1kvi h VAL 33 N 0.56 1.58 0.00 3.15 2.07 -0.39 -3.50 116.25 119.72 1kvi h VAL 33 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1kvi h VAL 33 Cb 0.21 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1kvi h VAL 33 CO 0.00 0.65 0.00 -3.20 0.02 0.00 0.00 177.57 175.04 1kvi n ASN 34 N -4.35 0.90 -1.91 0.57 5.15 -1.25 -5.00 115.26 109.37 1kvi n ASN 34 Ca -0.14 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.70 1kvi n ASN 34 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.90 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kvi n GLY 35 N 0.00 3.65 3.51 8.20 0.00 -1.26 -4.86 105.19 114.42 1kvi n GLY 35 Ca 0.00 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1kvi n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kvi n VAL 36 N 0.94 -0.02 0.00 1.61 0.31 -1.26 -4.58 118.33 115.33 1kvi n VAL 36 Ca 0.27 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1kvi n VAL 36 Cb 0.59 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1kvi n VAL 36 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1kvi n HIS 37 N 12.12 0.00 -4.21 3.52 8.25 -1.26 -4.87 115.22 128.77 1kvi n HIS 37 Ca 0.56 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.79 1kvi n HIS 37 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.41 2.76 -0.26 4.41 -3.43 -1.26 -5.02 115.29 112.07 1kvi s HIS 38 Ca 0.00 -0.26 -0.25 0.00 -0.80 0.00 0.00 55.06 53.75 1kvi s HIS 38 Cb 0.00 -1.37 0.08 0.00 -1.43 0.00 0.00 32.58 29.87 1kvi s HIS 38 CO 0.00 0.52 0.80 -1.50 -2.00 0.00 0.00 174.74 172.55 1kvi s ILE 39 N -2.33 0.00 0.06 -5.38 2.07 -1.26 -2.62 121.20 111.73 1kvi s ILE 39 Ca 0.34 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.39 1kvi s ILE 39 Cb -0.05 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.57 1kvi s ILE 39 CO 0.21 0.00 0.43 -1.59 -1.91 0.00 0.00 174.94 172.08 1kvi s LYS 40 N 0.27 0.96 0.06 3.50 -2.85 -0.93 -5.01 119.74 115.75 1kvi s LYS 40 Ca 0.00 -0.39 0.03 0.00 -1.00 0.00 0.00 55.97 54.62 1kvi s LYS 40 Cb -0.05 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1kvi s LYS 40 CO -0.00 -0.34 -0.10 0.14 0.10 0.00 0.00 175.35 175.15 1kvi s VAL 41 N -2.65 0.79 0.30 1.79 -7.23 -1.26 -1.51 120.40 110.64 1kvi s VAL 41 Ca -0.04 -1.30 0.09 0.00 -1.81 0.00 0.00 61.98 58.93 1kvi s VAL 41 Cb -0.00 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 1kvi s VAL 41 CO -0.04 -0.39 0.01 -0.55 -0.31 0.00 0.00 175.10 173.82 1kvi s SER 42 N -1.87 4.36 -0.01 4.85 0.15 -0.96 -5.00 113.70 115.23 1kvi s SER 42 Ca -0.04 -0.81 0.05 0.00 0.70 0.00 0.00 55.95 55.85 1kvi s SER 42 Cb -0.08 -0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 63.49 1kvi s SER 42 CO 0.01 -0.12 0.13 0.18 1.20 0.00 0.00 173.24 174.63 1kvi n LEU 43 N -0.93 0.04 -0.01 3.45 4.32 -1.26 -3.85 117.00 118.76 1kvi n LEU 43 Ca -0.05 -0.10 -0.21 0.00 -0.02 0.00 0.00 56.01 55.64 1kvi n LEU 43 Cb 0.61 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.27 1kvi n LEU 43 CO 0.41 0.01 -0.37 -0.08 -1.22 0.00 0.00 177.39 176.15 1kvi h GLU 44 N 0.00 0.20 -0.01 3.23 4.22 -1.98 -3.35 114.58 116.89 1kvi h GLU 44 Ca 0.00 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1kvi h GLU 44 Cb 0.21 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1kvi h GLU 44 CO 0.00 1.17 -0.32 0.39 -2.18 0.00 0.00 179.01 178.07 1kvi n GLU 45 N -4.03 0.84 -3.03 1.92 1.02 -1.26 -5.00 120.64 111.10 1kvi n GLU 45 Ca -0.24 -0.54 -0.16 0.00 -0.02 0.00 0.00 57.16 56.19 1kvi n GLU 45 Cb 0.85 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.61 -2.25 -2.01 3.49 4.01 -1.26 -4.83 118.16 114.70 1kvi n LYS 46 Ca 0.11 1.93 -0.01 0.00 -0.51 0.00 0.00 58.31 59.83 1kvi n LYS 46 Cb 0.37 -4.71 0.01 0.00 -0.51 0.00 0.00 35.03 30.18 1kvi n LYS 46 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1kvi n ASN 47 N -0.30 -0.44 -3.64 4.39 6.94 -1.25 -1.55 115.26 119.42 1kvi n ASN 47 Ca 0.06 -1.23 -0.09 0.00 -0.02 0.00 0.00 54.58 53.29 1kvi n ASN 47 Cb 0.52 0.71 -0.07 0.00 -2.36 0.00 0.00 39.78 38.59 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 -1.26 -1.88 -0.18 -2.53 0.00 -0.53 -2.26 121.76 113.12 1kvi s ALA 48 Ca 0.06 2.24 0.01 0.00 0.00 0.00 0.00 51.96 54.26 1kvi s ALA 48 Cb -0.01 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.78 1kvi s ALA 48 CO 0.01 -0.35 -0.15 0.99 0.00 0.00 0.00 175.76 176.26 1kvi s THR 49 N 1.09 1.83 0.18 0.00 2.01 -0.57 -1.31 115.64 118.87 1kvi s THR 49 Ca -0.06 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1kvi s THR 49 Cb -0.05 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1kvi s THR 49 CO -0.11 0.39 0.20 0.27 -0.69 0.00 0.00 174.62 174.68 1kvi s ILE 50 N 1.36 0.05 0.21 1.82 -5.25 -0.86 -2.20 121.20 116.32 1kvi s ILE 50 Ca 0.02 -1.72 0.01 0.00 -0.99 0.00 0.00 60.65 57.97 1kvi s ILE 50 Cb -0.14 -2.15 0.01 0.00 2.95 0.00 0.00 42.46 43.12 1kvi s ILE 50 CO -0.11 -0.21 0.07 2.30 -1.79 0.00 0.00 174.94 175.20 1kvi n ILE 51 N -0.22 0.00 -3.62 8.37 -6.64 -1.08 0.23 119.36 116.40 1kvi n ILE 51 Ca -0.03 -0.90 -0.05 0.00 -1.77 0.00 0.00 62.75 60.00 1kvi n ILE 51 Cb 0.64 -0.03 -0.04 0.00 -1.44 0.00 0.00 39.64 38.77 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 -1.43 -0.14 -0.52 4.28 1.13 -0.50 -4.56 117.35 115.61 1kvi s TYR 52 Ca 0.05 0.21 -0.20 0.00 -1.41 0.00 0.00 57.07 55.73 1kvi s TYR 52 Cb -0.00 0.49 0.06 0.00 -1.10 0.00 0.00 41.96 41.40 1kvi s TYR 52 CO 0.03 -0.15 0.69 0.34 -2.51 0.00 0.00 175.55 173.95 1kvi s ASP 53 N -1.29 6.24 0.00 -0.18 2.15 -1.26 -1.11 116.67 121.23 1kvi s ASP 53 Ca 0.06 -0.84 0.14 0.00 0.43 0.00 0.00 52.55 52.34 1kvi s ASP 53 Cb -0.01 -2.32 0.58 0.00 -0.30 0.00 0.00 42.92 40.87 1kvi s ASP 53 CO -0.05 -0.96 1.43 -0.81 -0.17 0.00 0.00 175.17 174.61 1kvi n PRO 54 N 6.41 0.00 0.02 4.34 -0.04 -1.25 -1.86 135.00 142.62 1kvi n PRO 54 Ca -0.05 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1kvi n PRO 54 Cb 0.46 -1.51 0.57 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.23 0.00 0.54 1.57 -1.90 -3.30 116.57 113.71 1kvi h LYS 55 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1kvi h LYS 55 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1kvi h LYS 55 CO 0.00 0.15 -1.12 1.28 -0.57 0.00 0.00 179.45 179.19 1kvi n LEU 56 N -4.46 1.72 0.00 2.94 4.32 -1.07 -5.07 117.00 115.37 1kvi n LEU 56 Ca 0.07 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1kvi n LEU 56 Cb 0.34 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1kvi n LEU 56 CO 0.35 0.32 0.00 0.00 -1.22 0.00 0.00 177.39 176.83 1kvi n GLN 57 N -2.81 3.16 -3.64 3.23 10.64 -0.78 -5.14 117.38 122.04 1kvi n GLN 57 Ca -0.04 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1kvi n GLN 57 Cb 0.54 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.93 1kvi n GLN 57 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1kvi n THR 58 N 0.00 0.00 0.34 -0.39 -2.24 -1.26 -4.24 114.28 106.48 1kvi n THR 58 Ca 0.00 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1kvi n THR 58 Cb 0.00 0.49 0.58 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.12 -0.78 0.13 -1.96 -2.88 132.00 126.40 1kvi h PRO 59 Ca -0.18 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.76 1kvi h PRO 59 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1kvi h PRO 59 CO 0.26 0.00 -0.71 0.87 -0.23 0.00 0.00 178.00 178.19 1kvi h LYS 60 N 0.00 0.53 -0.14 0.86 6.56 -2.00 -3.18 116.57 119.21 1kvi h LYS 60 Ca 0.00 -0.41 0.05 0.00 -1.06 0.00 0.00 60.65 59.22 1kvi h LYS 60 Cb 0.48 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.17 1kvi h LYS 60 CO 0.00 1.04 -0.21 1.15 -2.06 0.00 0.00 179.45 179.37 1kvi h THR 61 N 0.37 0.48 -0.93 -0.16 2.02 -1.90 0.41 112.91 113.20 1kvi h THR 61 Ca -0.03 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.31 1kvi h THR 61 Cb 1.29 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 1kvi h THR 61 CO 0.13 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.48 1kvi h LEU 62 N -0.26 0.69 -0.31 2.58 4.07 -1.68 1.74 115.31 122.14 1kvi h LEU 62 Ca 0.10 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 1kvi h LEU 62 Cb 0.41 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1kvi h LEU 62 CO -0.29 0.29 0.04 -0.61 -1.08 0.00 0.00 178.44 176.79 1kvi h GLN 63 N 0.74 0.53 -0.17 1.13 -0.00 -0.97 -2.14 115.11 114.23 1kvi h GLN 63 Ca 0.51 -0.15 -0.11 0.00 -0.00 0.00 0.00 58.65 58.90 1kvi h GLN 63 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.12 1kvi h GLN 63 CO -0.35 0.63 -0.36 0.93 0.00 0.00 0.00 178.83 179.67 1kvi h GLU 64 N 0.34 0.37 0.08 1.69 4.39 0.20 -2.66 114.58 118.99 1kvi h GLU 64 Ca 0.09 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1kvi h GLU 64 Cb 0.37 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1kvi h GLU 64 CO 0.01 0.69 -0.13 0.00 -1.16 0.00 0.00 179.01 178.42 1kvi h ALA 65 N 1.30 -0.21 -0.57 3.43 0.00 0.29 -0.58 119.26 122.91 1kvi h ALA 65 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1kvi h ALA 65 Cb 0.79 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1kvi h ALA 65 CO 0.06 -0.64 0.34 0.82 0.00 0.00 0.00 179.25 179.83 1kvi h ILE 66 N -0.26 1.06 0.00 0.00 2.04 -1.30 0.12 117.51 119.17 1kvi h ILE 66 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1kvi h ILE 66 Cb 0.27 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1kvi h ILE 66 CO -0.07 0.12 0.00 -0.78 0.00 0.00 0.00 178.15 177.42 1kvi h ASP 67 N 0.68 0.00 0.47 1.72 3.58 -1.07 0.11 116.42 121.90 1kvi h ASP 67 Ca 0.23 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.38 1kvi h ASP 67 Cb 0.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1kvi h ASP 67 CO -0.11 0.00 -1.57 -0.78 -2.88 0.00 0.00 179.24 173.90 1kvi h ASP 68 N 0.00 0.27 0.00 2.28 3.58 0.80 -3.40 116.42 119.96 1kvi h ASP 68 Ca 0.00 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 1kvi h ASP 68 Cb 0.09 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1kvi h ASP 68 CO 0.00 1.36 -0.39 0.24 -2.88 0.00 0.00 179.24 177.57 1kvi h MET 69 N 0.05 0.00 0.00 0.28 2.86 -0.56 -3.49 114.93 114.07 1kvi h MET 69 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1kvi h MET 69 Cb 1.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.65 1kvi h MET 69 CO 0.13 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.73 1kvi n GLY 70 N 1.65 1.57 3.55 8.32 0.00 -0.07 -5.07 105.19 115.13 1kvi n GLY 70 Ca -0.08 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.32 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 1.60 -1.73 1.61 3.72 -1.26 -4.69 117.46 116.72 1kvi n PHE 71 Ca 0.00 0.81 -0.18 0.00 -0.05 0.00 0.00 57.45 58.03 1kvi n PHE 71 Cb 0.00 -2.33 -0.09 0.00 -0.94 0.00 0.00 39.48 36.12 1kvi n PHE 71 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1kvi s ASP 72 N 4.57 3.95 0.02 4.37 1.01 -1.26 -4.86 116.67 124.48 1kvi s ASP 72 Ca 1.09 -0.90 0.03 0.00 0.71 0.00 0.00 52.55 53.49 1kvi s ASP 72 Cb -1.35 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 39.98 1kvi s ASP 72 CO 0.70 -4.13 -0.11 0.00 0.21 0.00 0.00 175.17 171.84 1kvi s ALA 73 N 14.95 0.87 -0.15 5.23 0.00 -1.26 -0.83 121.76 140.57 1kvi s ALA 73 Ca 0.80 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1kvi s ALA 73 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1kvi s ALA 73 CO 0.14 0.16 -0.09 0.08 0.00 0.00 0.00 175.76 176.05 1kvi s VAL 74 N -0.70 3.39 0.97 0.00 1.01 0.12 -4.91 120.40 120.28 1kvi s VAL 74 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1kvi s VAL 74 Cb -0.06 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1kvi s VAL 74 CO 0.00 0.50 0.58 0.00 0.00 0.00 0.00 175.10 176.18 1kvi n ILE 75 N 3.68 0.00 -2.75 2.22 3.06 -1.26 -0.31 119.36 123.99 1kvi n ILE 75 Ca -0.18 -0.16 -0.09 0.00 -2.50 0.00 0.00 62.75 59.82 1kvi n ILE 75 Cb 0.52 -0.73 0.09 0.00 0.54 0.00 0.00 39.64 40.06 1kvi n ILE 75 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1kvi n HIS 76 N -3.88 -2.70 -4.00 9.51 -0.00 0.24 -4.60 115.22 109.80 1kvi n HIS 76 Ca 0.07 -2.21 -0.33 0.00 0.46 0.00 0.00 57.72 55.72 1kvi n HIS 76 Cb 0.54 1.53 -0.14 0.00 -0.12 0.00 0.00 29.99 31.80 1kvi n HIS 76 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kvi s ASN 77 N -1.33 4.66 0.00 0.26 4.22 -1.19 -3.97 114.94 117.59 1kvi s ASN 77 Ca 0.23 -1.39 0.00 0.00 -2.14 0.00 0.00 52.86 49.56 1kvi s ASN 77 Cb 0.30 -1.63 0.00 0.00 1.28 0.00 0.00 41.25 41.20 1kvi s ASN 77 CO -0.05 -0.23 0.10 -0.81 -2.04 0.00 0.00 177.10 174.06 1kvi n PRO 78 N 4.51 0.00 0.00 3.55 -0.04 -1.26 -5.01 135.00 136.74 1kvi n PRO 78 Ca -0.13 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1kvi n PRO 78 Cb 0.43 -0.54 0.38 0.00 -0.04 0.00 0.00 33.50 33.73 1kvi n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21