#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 -2.04 0.00 7.83 5.68 -1.26 -4.94 116.55 121.82 1kvi n ASP 2 Ca 0.00 -2.96 0.10 0.00 -0.50 0.00 0.00 54.79 51.44 1kvi n ASP 2 Cb 0.00 1.44 0.58 0.00 -1.14 0.00 0.00 41.12 41.99 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1kvi n PRO 3 N -0.12 0.49 0.00 0.11 -0.04 -1.26 -4.28 135.00 129.90 1kvi n PRO 3 Ca -0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1kvi n PRO 3 Cb 0.77 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1kvi n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1kvi n SER 4 N -1.13 0.00 -3.65 3.54 3.41 -1.26 -5.06 113.62 109.46 1kvi n SER 4 Ca 0.13 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.33 1kvi n SER 4 Cb 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1kvi n SER 4 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1kvi n MET 5 N 0.00 3.76 0.00 4.33 1.56 -1.26 -4.10 117.12 121.40 1kvi n MET 5 Ca 0.00 -3.14 0.00 0.00 -0.27 0.00 0.00 57.70 54.29 1kvi n MET 5 Cb 0.00 -2.89 0.00 0.00 2.15 0.00 0.00 33.22 32.48 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 2.86 0.95 2.87 -5.12 0.00 -1.26 -5.10 105.19 100.39 1kvi n GLY 6 Ca 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 1kvi n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kvi s VAL 7 N -0.54 -0.05 0.00 1.61 -7.23 -1.26 -3.84 120.40 109.10 1kvi s VAL 7 Ca 0.00 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1kvi s VAL 7 Cb 0.00 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.78 1kvi s VAL 7 CO 0.00 0.07 0.00 0.59 -0.31 0.00 0.00 175.10 175.45 1kvi n ASN 8 N 4.01 0.00 -3.77 4.85 4.13 0.98 -4.88 115.26 120.58 1kvi n ASN 8 Ca -0.25 -0.54 -0.13 0.00 1.68 0.00 0.00 54.58 55.35 1kvi n ASN 8 Cb 0.52 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.66 1kvi n ASN 8 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1kvi s SER 9 N -1.00 -0.28 -0.03 6.41 1.04 -1.26 -2.41 113.70 116.16 1kvi s SER 9 Ca 0.00 0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 1kvi s SER 9 Cb 0.00 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1kvi s SER 9 CO 0.00 -0.17 0.10 -0.69 0.98 0.00 0.00 173.24 173.46 1kvi s VAL 10 N -0.13 0.01 0.22 5.02 1.01 -0.07 -4.86 120.40 121.60 1kvi s VAL 10 Ca -0.03 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1kvi s VAL 10 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1kvi s VAL 10 CO 0.01 -0.06 -0.17 0.42 0.00 0.00 0.00 175.10 175.30 1kvi s THR 11 N -0.14 2.71 0.24 3.92 -4.23 -1.25 -2.33 115.64 114.55 1kvi s THR 11 Ca -0.02 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1kvi s THR 11 Cb -0.02 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1kvi s THR 11 CO 0.00 -0.21 0.12 2.30 -0.54 0.00 0.00 174.62 176.29 1kvi n ILE 12 N -0.13 0.00 -5.08 2.99 -6.64 -0.75 -2.16 119.36 107.59 1kvi n ILE 12 Ca -0.10 -1.48 -0.32 0.00 -1.77 0.00 0.00 62.75 59.08 1kvi n ILE 12 Cb 0.57 0.60 -0.16 0.00 -1.44 0.00 0.00 39.64 39.21 1kvi n ILE 12 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1kvi s SER 13 N -2.52 3.42 -0.15 7.28 1.04 0.94 -2.47 113.70 121.24 1kvi s SER 13 Ca 0.17 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1kvi s SER 13 Cb 0.01 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.82 1kvi s SER 13 CO 0.12 0.19 -0.17 0.54 0.98 0.00 0.00 173.24 174.90 1kvi s VAL 14 N 0.16 2.56 0.00 5.02 0.11 -1.19 -2.21 120.40 124.86 1kvi s VAL 14 Ca -0.11 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1kvi s VAL 14 Cb -0.16 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 1kvi s VAL 14 CO 0.06 0.52 0.00 1.21 -3.33 0.00 0.00 175.10 173.57 1kvi n GLU 15 N 4.04 0.00 -3.04 1.54 2.13 -1.24 -4.23 120.64 119.83 1kvi n GLU 15 Ca -0.19 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.18 1kvi n GLU 15 Cb 0.52 -0.62 -0.01 0.00 0.27 0.00 0.00 31.44 31.59 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 -3.38 2.35 0.00 8.31 0.00 -1.26 -4.96 107.32 108.37 1kvi s GLY 16 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 44.72 41.55 1kvi s GLY 16 CO 0.00 1.84 0.00 1.03 0.00 0.00 0.00 173.10 175.97 1kvi n MET 17 N 5.43 3.95 0.00 2.90 2.81 -1.26 -3.66 117.12 127.29 1kvi n MET 17 Ca 0.27 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 1kvi n MET 17 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.67 2.03 5.66 -1.26 -5.03 114.28 115.02 1kvi n THR 18 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1kvi n THR 18 Cb 0.00 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 68.95 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kvi n ASN 20 N -3.19 0.03 0.30 0.00 2.85 -1.26 0.12 115.26 114.10 1kvi n ASN 20 Ca 0.07 0.94 0.14 0.00 -0.11 0.00 0.00 54.58 55.62 1kvi n ASN 20 Cb 0.54 -0.47 0.69 0.00 1.24 0.00 0.00 39.78 41.79 1kvi n ASN 20 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1kvi h SER 21 N 0.00 0.00 0.00 1.20 0.87 -1.95 -2.64 113.55 111.03 1kvi h SER 21 Ca 0.84 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.40 1kvi h SER 21 Cb 3.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.24 1kvi h SER 21 CO -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.23 1kvi h VAL 23 N 0.00 0.78 -0.22 0.00 -1.51 -1.80 -2.88 116.25 110.61 1kvi h VAL 23 Ca 0.00 -2.46 0.02 0.00 -1.23 0.00 0.00 66.70 63.03 1kvi h VAL 23 Cb 0.00 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1kvi h VAL 23 CO 0.00 0.85 0.15 -0.50 -1.23 0.00 0.00 177.57 176.84 1kvi h TRP 24 N 0.08 0.22 0.04 5.19 6.55 -1.57 2.60 115.95 129.05 1kvi h TRP 24 Ca -0.37 0.01 -0.15 0.00 0.95 0.00 0.00 58.89 59.32 1kvi h TRP 24 Cb 2.05 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 30.27 1kvi h TRP 24 CO 0.08 0.13 -0.77 1.15 -1.05 0.00 0.00 178.44 177.98 1kvi h THR 25 N 0.23 1.33 -0.58 1.49 2.02 -1.17 -2.68 112.91 113.56 1kvi h THR 25 Ca 0.09 -2.32 0.01 0.00 0.77 0.00 0.00 66.41 64.95 1kvi h THR 25 Cb 0.07 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 1kvi h THR 25 CO -0.02 0.54 0.38 0.40 0.37 0.00 0.00 175.52 177.20 1kvi h ILE 26 N -0.80 1.14 -0.49 3.11 2.04 -1.23 -2.05 117.51 119.24 1kvi h ILE 26 Ca -0.19 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1kvi h ILE 26 Cb 1.31 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1kvi h ILE 26 CO -0.04 0.14 0.25 -0.08 0.00 0.00 0.00 178.15 178.42 1kvi h GLU 27 N 0.78 0.48 -0.83 2.37 4.81 0.44 0.18 114.58 122.80 1kvi h GLU 27 Ca 0.21 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 1kvi h GLU 27 Cb -0.08 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.11 1kvi h GLU 27 CO -0.05 0.32 0.47 0.37 -0.73 0.00 0.00 179.01 179.39 1kvi h GLN 28 N 0.50 0.76 0.16 1.92 4.15 -1.02 0.84 115.11 122.41 1kvi h GLN 28 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1kvi h GLN 28 Cb 0.11 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1kvi h GLN 28 CO -0.14 0.50 -0.08 1.96 -1.93 0.00 0.00 178.83 179.14 1kvi h GLN 29 N 0.78 -0.21 -1.00 1.69 7.50 -0.73 -0.76 115.11 122.38 1kvi h GLN 29 Ca 0.41 0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.79 1kvi h GLN 29 Cb 0.40 0.05 -0.10 0.00 0.05 0.00 0.00 27.48 27.87 1kvi h GLN 29 CO -0.26 -0.14 0.62 -0.84 -1.50 0.00 0.00 178.83 176.71 1kvi h ILE 30 N -0.70 0.64 0.00 2.54 3.07 -0.65 2.22 117.51 124.64 1kvi h ILE 30 Ca -0.02 -0.22 -0.05 0.00 1.55 0.00 0.00 64.86 66.12 1kvi h ILE 30 Cb 0.17 -0.05 -0.01 0.00 -0.27 0.00 0.00 36.82 36.67 1kvi h ILE 30 CO 0.04 0.12 -0.22 1.23 -1.05 0.00 0.00 178.15 178.27 1kvi h GLY 31 N 0.63 0.00 -2.31 0.16 0.00 0.65 -2.07 103.07 100.14 1kvi h GLY 31 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1kvi h GLY 31 CO -0.36 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.35 1kvi n LYS 32 N -3.52 2.70 0.00 4.80 4.81 0.66 -4.73 118.16 122.89 1kvi n LYS 32 Ca -0.01 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 54.97 1kvi n LYS 32 Cb 0.38 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1kvi n LYS 32 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1kvi n VAL 33 N 1.36 0.00 0.00 3.15 3.14 0.38 -4.98 118.33 121.39 1kvi n VAL 33 Ca 0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1kvi n VAL 33 Cb 0.57 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1kvi n VAL 33 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1kvi n ASN 34 N -0.51 0.00 -3.98 6.55 4.13 -1.26 -4.55 115.26 115.64 1kvi n ASN 34 Ca 0.00 0.41 -0.31 0.00 1.68 0.00 0.00 54.58 56.36 1kvi n ASN 34 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1kvi n ASN 34 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1kvi s GLY 35 N -0.08 2.59 -0.65 7.41 0.00 -1.26 -4.99 107.32 110.33 1kvi s GLY 35 Ca 0.00 -3.42 0.05 0.00 0.00 0.00 0.00 44.72 41.35 1kvi s GLY 35 CO 0.00 1.05 0.44 0.54 0.00 0.00 0.00 173.10 175.13 1kvi s VAL 36 N -0.53 2.68 -2.00 1.40 0.11 -1.26 -2.09 120.40 118.70 1kvi s VAL 36 Ca 0.19 -4.00 0.07 0.00 -2.93 0.00 0.00 61.98 55.31 1kvi s VAL 36 Cb -0.20 -2.78 0.19 0.00 -1.53 0.00 0.00 36.38 32.06 1kvi s VAL 36 CO -0.04 -0.98 0.99 0.00 -3.33 0.00 0.00 175.10 171.74 1kvi n HIS 37 N 2.24 0.00 -3.61 1.54 1.44 -1.26 -4.79 115.22 110.78 1kvi n HIS 37 Ca 0.18 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.82 1kvi n HIS 37 Cb 0.35 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.41 1kvi n HIS 37 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1kvi s HIS 38 N -2.00 -0.22 0.11 -1.40 5.65 -1.26 -5.05 115.29 111.12 1kvi s HIS 38 Ca 0.10 0.38 -0.22 0.00 0.25 0.00 0.00 55.06 55.57 1kvi s HIS 38 Cb 0.05 0.47 0.06 0.00 -1.18 0.00 0.00 32.58 31.97 1kvi s HIS 38 CO 0.08 -0.20 0.54 0.96 -0.65 0.00 0.00 174.74 175.47 1kvi s ILE 39 N -1.04 0.02 0.18 0.89 -5.25 -1.26 -2.60 121.20 112.14 1kvi s ILE 39 Ca 0.03 -0.18 -0.16 0.00 -0.99 0.00 0.00 60.65 59.35 1kvi s ILE 39 Cb -0.01 -1.03 0.03 0.00 2.95 0.00 0.00 42.46 44.40 1kvi s ILE 39 CO -0.03 -0.10 0.47 -0.54 -1.79 0.00 0.00 174.94 172.95 1kvi s LYS 40 N -3.26 1.29 -0.01 0.37 -0.14 0.35 -4.90 119.74 113.43 1kvi s LYS 40 Ca -0.01 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 53.75 1kvi s LYS 40 Cb -0.00 0.49 0.00 0.00 -1.68 0.00 0.00 37.83 36.64 1kvi s LYS 40 CO -0.08 -0.53 -0.03 0.08 -0.76 0.00 0.00 175.35 174.02 1kvi s VAL 41 N -3.87 0.30 -0.62 3.17 1.01 -1.26 -2.05 120.40 117.09 1kvi s VAL 41 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1kvi s VAL 41 Cb 0.00 -0.28 0.20 0.00 0.00 0.00 0.00 36.38 36.30 1kvi s VAL 41 CO -0.05 0.10 0.55 -0.24 0.00 0.00 0.00 175.10 175.47 1kvi n SER 42 N 3.19 2.46 -0.00 3.32 2.88 0.21 -4.92 113.62 120.76 1kvi n SER 42 Ca -0.15 -3.11 0.09 0.00 -1.33 0.00 0.00 58.87 54.36 1kvi n SER 42 Cb 0.57 -0.69 0.50 0.00 -0.75 0.00 0.00 64.21 63.84 1kvi n SER 42 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1kvi h LEU 43 N 4.94 0.35 0.15 2.46 6.46 -1.95 1.71 115.31 129.42 1kvi h LEU 43 Ca 0.18 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1kvi h LEU 43 Cb 0.76 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1kvi h LEU 43 CO 0.68 0.23 -0.07 -0.08 -0.62 0.00 0.00 178.44 178.58 1kvi h GLU 44 N 0.40 -0.19 -0.00 1.25 4.57 -1.95 -3.17 114.58 115.48 1kvi h GLU 44 Ca 0.19 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1kvi h GLU 44 Cb 0.25 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1kvi h GLU 44 CO -0.05 0.24 -0.09 0.39 -1.18 0.00 0.00 179.01 178.32 1kvi n GLU 45 N -4.95 0.69 -3.01 1.92 4.71 -1.02 -4.96 120.64 114.02 1kvi n GLU 45 Ca -0.08 -0.22 -0.00 0.00 -0.01 0.00 0.00 57.16 56.85 1kvi n GLU 45 Cb 0.26 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 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 -0.96 -1.32 -3.59 3.49 4.01 0.58 -4.96 118.16 115.40 1kvi n LYS 46 Ca 0.15 1.49 -0.05 0.00 -0.51 0.00 0.00 58.31 59.39 1kvi n LYS 46 Cb 0.27 -5.66 -0.02 0.00 -0.51 0.00 0.00 35.03 29.11 1kvi n LYS 46 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1kvi s ASN 47 N -2.96 -0.23 -0.02 4.39 3.84 -0.84 -3.16 114.94 115.95 1kvi s ASN 47 Ca 0.01 -0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.01 1kvi s ASN 47 Cb -0.00 0.31 -0.00 0.00 -0.55 0.00 0.00 41.25 41.01 1kvi s ASN 47 CO 0.73 -0.54 -0.13 0.00 -2.79 0.00 0.00 177.10 174.38 1kvi s ALA 48 N -2.88 1.11 -0.33 1.71 0.00 -1.03 0.63 121.76 120.97 1kvi s ALA 48 Ca 0.09 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1kvi s ALA 48 Cb -0.00 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1kvi s ALA 48 CO -0.05 0.22 0.06 0.99 0.00 0.00 0.00 175.76 176.98 1kvi s THR 49 N -0.03 3.23 0.06 0.00 2.01 -0.87 -1.80 115.64 118.24 1kvi s THR 49 Ca -0.00 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 60.58 1kvi s THR 49 Cb -0.08 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1kvi s THR 49 CO 0.00 -0.22 -0.06 0.27 -0.69 0.00 0.00 174.62 173.92 1kvi s ILE 50 N 1.27 0.51 0.00 1.82 -5.25 -0.99 0.13 121.20 118.70 1kvi s ILE 50 Ca -0.02 -1.43 0.00 0.00 -0.99 0.00 0.00 60.65 58.21 1kvi s ILE 50 Cb -0.20 -1.03 0.00 0.00 2.95 0.00 0.00 42.46 44.18 1kvi s ILE 50 CO -0.01 -0.63 0.00 2.30 -1.79 0.00 0.00 174.94 174.82 1kvi n ILE 51 N 0.83 0.00 -3.60 8.37 -6.64 -1.07 -0.89 119.36 116.36 1kvi n ILE 51 Ca -0.18 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.74 1kvi n ILE 51 Cb 0.57 -0.15 -0.03 0.00 -1.44 0.00 0.00 39.64 38.59 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 -0.02 -0.16 -0.30 4.28 1.13 -1.01 -4.70 117.35 116.56 1kvi s TYR 52 Ca 0.00 0.20 -0.16 0.00 -1.41 0.00 0.00 57.07 55.70 1kvi s TYR 52 Cb 0.00 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1kvi s TYR 52 CO 0.00 -0.20 0.42 0.16 -2.51 0.00 0.00 175.55 173.42 1kvi s ASP 53 N -1.64 6.28 0.00 -0.18 -4.77 -0.89 -0.01 116.67 115.45 1kvi s ASP 53 Ca 0.07 0.15 0.16 0.00 -3.30 0.00 0.00 52.55 49.63 1kvi s ASP 53 Cb -0.01 -2.23 0.81 0.00 -1.09 0.00 0.00 42.92 40.41 1kvi s ASP 53 CO -0.04 -0.29 1.48 -0.81 0.70 0.00 0.00 175.17 176.20 1kvi n PRO 54 N 5.46 0.21 -0.13 2.11 -0.04 -1.25 0.27 135.00 141.63 1kvi n PRO 54 Ca -0.07 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1kvi n PRO 54 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.71 0.00 0.54 1.57 -1.91 -3.37 116.57 114.11 1kvi h LYS 55 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1kvi h LYS 55 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1kvi h LYS 55 CO 0.00 0.82 0.00 -0.11 -0.57 0.00 0.00 179.45 179.59 1kvi n LEU 56 N -4.42 0.09 0.00 2.94 0.00 -1.14 -5.09 117.00 109.38 1kvi n LEU 56 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 56.01 55.68 1kvi n LEU 56 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.73 1kvi n LEU 56 CO 0.41 0.02 0.00 1.67 0.00 0.00 0.00 177.39 179.49 1kvi n GLN 57 N -0.45 1.76 -3.84 1.96 7.27 0.14 -4.99 117.38 119.23 1kvi n GLN 57 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1kvi n GLN 57 Cb 0.02 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.69 1kvi n GLN 57 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1kvi s THR 58 N -0.70 0.00 -1.20 1.69 -4.23 -1.26 -4.03 115.64 105.91 1kvi s THR 58 Ca 0.00 -0.81 0.18 0.00 -1.18 0.00 0.00 61.69 59.88 1kvi s THR 58 Cb 0.00 -2.78 0.23 0.00 1.34 0.00 0.00 72.50 71.29 1kvi s THR 58 CO 0.00 0.00 1.56 -0.81 -0.54 0.00 0.00 174.62 174.83 1kvi n PRO 59 N -0.59 0.12 0.04 3.99 -0.04 -1.26 -2.89 135.00 134.37 1kvi n PRO 59 Ca -0.06 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1kvi n PRO 59 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 1kvi n PRO 59 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvi h LYS 60 N 0.00 0.15 0.11 0.54 1.57 -1.99 -3.29 116.57 113.66 1kvi h LYS 60 Ca 0.00 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1kvi h LYS 60 Cb 0.24 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1kvi h LYS 60 CO 0.00 0.95 -0.09 1.15 -0.57 0.00 0.00 179.45 180.89 1kvi h THR 61 N 0.04 0.00 -1.32 -0.16 2.02 -1.93 0.87 112.91 112.43 1kvi h THR 61 Ca -0.24 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.33 1kvi h THR 61 Cb 1.98 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 1kvi h THR 61 CO 0.13 0.00 0.91 0.17 0.37 0.00 0.00 175.52 177.10 1kvi h LEU 62 N -0.20 0.16 -0.13 2.58 -0.00 -1.76 1.11 115.31 117.08 1kvi h LEU 62 Ca -0.01 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.84 1kvi h LEU 62 Cb 0.17 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1kvi h LEU 62 CO -0.00 -0.03 -0.23 -0.61 -0.00 0.00 0.00 178.44 177.57 1kvi h GLN 63 N 0.11 0.38 0.00 0.17 4.15 -1.29 -2.59 115.11 116.04 1kvi h GLN 63 Ca 0.70 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.80 1kvi h GLN 63 Cb 2.43 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 30.13 1kvi h GLN 63 CO -0.18 0.83 -0.40 1.49 -1.93 0.00 0.00 178.83 178.64 1kvi h GLU 64 N -0.02 0.00 0.13 1.69 4.81 0.81 -2.49 114.58 119.51 1kvi h GLU 64 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1kvi h GLU 64 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1kvi h GLU 64 CO 0.05 0.40 -0.06 0.00 -0.73 0.00 0.00 179.01 178.67 1kvi h ALA 65 N 1.60 -0.89 -0.97 2.92 0.00 0.73 0.25 119.26 122.91 1kvi h ALA 65 Ca -0.00 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.11 1kvi h ALA 65 Cb 0.72 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1kvi h ALA 65 CO 0.05 -0.87 0.65 -0.84 0.00 0.00 0.00 179.25 178.24 1kvi h ILE 66 N -0.19 0.59 0.00 0.00 3.07 -1.53 1.03 117.51 120.47 1kvi h ILE 66 Ca -0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 64.86 66.25 1kvi h ILE 66 Cb 0.13 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 36.93 1kvi h ILE 66 CO 0.03 0.06 -0.16 -0.78 -1.05 0.00 0.00 178.15 176.24 1kvi h ASP 67 N 0.30 0.00 0.46 2.16 1.82 -1.29 -2.76 116.42 117.11 1kvi h ASP 67 Ca 0.51 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.92 1kvi h ASP 67 Cb 1.46 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.46 1kvi h ASP 67 CO -0.17 0.16 -0.98 -0.78 -1.61 0.00 0.00 179.24 175.86 1kvi h ASP 68 N 0.00 0.44 -0.01 2.28 3.58 0.46 -3.32 116.42 119.85 1kvi h ASP 68 Ca -0.00 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 56.98 1kvi h ASP 68 Cb 0.84 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1kvi h ASP 68 CO 0.02 1.19 -0.37 0.24 -2.88 0.00 0.00 179.24 177.44 1kvi h MET 69 N 0.17 0.28 0.00 0.28 2.86 -1.33 -3.48 114.93 113.71 1kvi h MET 69 Ca -0.08 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1kvi h MET 69 Cb 1.63 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1kvi h MET 69 CO 0.16 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.52 1kvi n GLY 70 N 0.99 0.76 3.74 8.32 0.00 -1.05 -5.10 105.19 112.85 1kvi n GLY 70 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1kvi n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kvi s PHE 71 N -1.71 2.97 -0.62 1.61 0.08 -1.20 -4.82 117.98 114.28 1kvi s PHE 71 Ca 0.00 0.91 -0.04 0.00 0.12 0.00 0.00 56.93 57.92 1kvi s PHE 71 Cb 0.00 -3.89 -0.06 0.00 -0.57 0.00 0.00 43.02 38.50 1kvi s PHE 71 CO 0.00 -2.99 1.92 -0.25 -0.10 0.00 0.00 175.22 173.81 1kvi n ASP 72 N 2.57 3.78 -4.62 1.36 9.92 -1.24 -4.73 116.55 123.58 1kvi n ASP 72 Ca 0.08 -2.21 -0.32 0.00 -0.53 0.00 0.00 54.79 51.81 1kvi n ASP 72 Cb 0.39 -0.93 -0.10 0.00 -0.64 0.00 0.00 41.12 39.84 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kvi s ALA 73 N 3.39 3.09 0.01 2.24 0.00 -1.26 -3.70 121.76 125.54 1kvi s ALA 73 Ca 0.32 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1kvi s ALA 73 Cb 0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1kvi s ALA 73 CO -0.02 0.62 -0.03 0.08 0.00 0.00 0.00 175.76 176.41 1kvi s VAL 74 N -1.00 0.12 0.57 0.00 1.01 -0.94 -4.81 120.40 115.35 1kvi s VAL 74 Ca 0.17 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1kvi s VAL 74 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1kvi s VAL 74 CO 0.08 -0.32 1.35 0.00 0.00 0.00 0.00 175.10 176.20 1kvi n ILE 75 N 2.07 4.13 0.00 2.22 3.06 -1.26 -0.04 119.36 129.55 1kvi n ILE 75 Ca -0.20 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.55 1kvi n ILE 75 Cb 0.57 -1.63 0.00 0.00 0.54 0.00 0.00 39.64 39.11 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 -1.26 0.00 -3.77 9.51 -0.00 -0.92 -4.72 115.22 114.06 1kvi n HIS 76 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.54 1kvi n HIS 76 Cb 0.45 0.02 -0.14 0.00 -0.00 0.00 0.00 29.99 30.32 1kvi n HIS 76 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1kvi s ASN 77 N -4.26 3.98 0.00 0.26 3.84 -1.22 -5.06 114.94 112.48 1kvi s ASN 77 Ca 0.00 -2.15 0.00 0.00 0.21 0.00 0.00 52.86 50.92 1kvi s ASN 77 Cb 0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 41.25 39.64 1kvi s ASN 77 CO 0.00 -0.35 0.00 -0.81 -2.79 0.00 0.00 177.10 173.15 1kvi n PRO 78 N 4.19 1.10 0.00 0.43 -0.04 -1.26 -3.96 135.00 135.47 1kvi n PRO 78 Ca 0.03 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 1kvi n PRO 78 Cb 0.39 0.00 0.85 0.00 -0.04 0.00 0.00 33.50 34.70 1kvi n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99