#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is7 h PRO 2 N 0.00 0.00 -5.90 0.03 0.13 -1.96 -3.46 132.00 120.84 1is7 h PRO 2 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1is7 h PRO 2 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1is7 h PRO 2 CO 0.00 0.81 -0.53 0.71 -0.23 0.00 0.00 178.00 178.77 1is7 s TYR 3 N -2.91 3.44 0.02 1.56 1.51 -1.26 -0.31 117.35 119.40 1is7 s TYR 3 Ca 0.01 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1is7 s TYR 3 Cb 0.10 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1is7 s TYR 3 CO 0.79 0.61 -0.03 -1.17 -1.11 0.00 0.00 175.55 174.63 1is7 s LEU 4 N -1.95 2.18 -0.07 -1.29 2.96 0.07 -5.00 118.68 115.57 1is7 s LEU 4 Ca 0.27 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1is7 s LEU 4 Cb -0.12 0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.61 1is7 s LEU 4 CO 0.18 -0.20 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.15 1is7 s LEU 5 N -1.08 1.52 0.15 -0.68 1.43 -1.26 -0.66 118.68 118.10 1is7 s LEU 5 Ca -0.11 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1is7 s LEU 5 Cb -0.07 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1is7 s LEU 5 CO -0.01 -0.00 -0.12 0.27 0.23 0.00 0.00 176.35 176.72 1is7 s ILE 6 N 0.86 1.35 0.17 -0.59 -4.36 -0.81 -4.42 121.20 113.40 1is7 s ILE 6 Ca -0.11 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.06 1is7 s ILE 6 Cb -0.15 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.81 1is7 s ILE 6 CO 0.01 -0.62 0.58 -0.94 0.24 0.00 0.00 174.94 174.21 1is7 s SER 7 N -3.01 -0.47 0.18 4.36 1.04 -0.62 -0.73 113.70 114.45 1is7 s SER 7 Ca 0.16 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 1is7 s SER 7 Cb -0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1is7 s SER 7 CO 0.03 -1.00 0.17 0.28 0.98 0.00 0.00 173.24 173.69 1is7 s THR 8 N -3.79 0.04 0.13 2.02 -1.32 -0.52 0.08 115.64 112.29 1is7 s THR 8 Ca 0.03 -1.82 0.06 0.00 -1.21 0.00 0.00 61.69 58.75 1is7 s THR 8 Cb -0.01 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1is7 s THR 8 CO -0.10 -0.19 -0.15 -1.10 -2.21 0.00 0.00 174.62 170.87 1is7 s GLN 9 N -4.08 1.07 0.00 7.08 -0.21 -1.26 -0.98 119.66 121.27 1is7 s GLN 9 Ca 0.29 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.42 1is7 s GLN 9 Cb 0.06 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 33.06 1is7 s GLN 9 CO 0.07 0.20 0.00 -0.89 -2.12 0.00 0.00 175.29 172.55 1is7 n ILE 10 N 0.55 0.00 -4.03 1.08 5.41 -0.75 -4.64 119.36 116.97 1is7 n ILE 10 Ca -0.15 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.46 1is7 n ILE 10 Cb 0.57 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.36 1is7 n ILE 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1is7 s ARG 11 N 0.00 0.30 0.06 0.38 1.81 -1.26 -5.06 118.95 115.18 1is7 s ARG 11 Ca 0.00 -0.30 0.15 0.00 -1.72 0.00 0.00 55.73 53.85 1is7 s ARG 11 Cb 0.00 -0.19 -0.15 0.00 -0.45 0.00 0.00 34.95 34.17 1is7 s ARG 11 CO 0.00 0.04 0.89 0.00 -0.68 0.00 0.00 175.30 175.55 1is7 h MET 12 N 5.56 0.00 0.00 3.54 -0.00 -1.96 -3.36 114.93 118.72 1is7 h MET 12 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1is7 h MET 12 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1is7 h MET 12 CO 0.47 0.43 0.00 -0.85 -0.00 0.00 0.00 176.91 176.96 1is7 n GLU 13 N -3.01 0.76 -3.68 -0.10 0.00 -1.26 -4.08 120.64 109.27 1is7 n GLU 13 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.94 1is7 n GLU 13 Cb 0.89 -1.10 -0.06 0.00 0.00 0.00 0.00 31.44 31.17 1is7 n GLU 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1is7 s VAL 14 N -2.00 0.06 0.00 3.84 0.11 -1.26 -4.85 120.40 116.31 1is7 s VAL 14 Ca 0.07 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1is7 s VAL 14 Cb 0.03 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1is7 s VAL 14 CO 0.05 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1is7 n GLY 15 N 0.40 0.24 3.64 6.54 0.00 -1.26 -4.66 105.19 110.10 1is7 n GLY 15 Ca -0.18 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1is7 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1is7 s PRO 16 N -0.44 0.51 -0.09 1.61 0.04 -1.26 -4.97 135.00 130.41 1is7 s PRO 16 Ca 0.00 0.87 0.02 0.00 0.04 0.00 0.00 61.00 61.94 1is7 s PRO 16 Cb 0.00 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.83 1is7 s PRO 16 CO 0.00 -2.77 -0.15 0.99 0.04 0.00 0.00 177.00 175.12 1is7 s THR 17 N -2.78 1.39 -0.10 1.26 2.01 0.78 -4.48 115.64 113.71 1is7 s THR 17 Ca 0.65 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 1is7 s THR 17 Cb -0.21 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1is7 s THR 17 CO 0.59 0.41 0.85 -0.04 -0.69 0.00 0.00 174.62 175.75 1is7 s MET 18 N 0.78 4.40 0.00 4.92 -1.94 0.11 -1.04 119.30 126.53 1is7 s MET 18 Ca -0.11 1.11 0.01 0.00 -1.71 0.00 0.00 55.69 54.99 1is7 s MET 18 Cb -0.16 -3.52 -0.01 0.00 2.01 0.00 0.00 34.83 33.16 1is7 s MET 18 CO 0.02 -0.18 0.12 1.33 -0.01 0.00 0.00 175.02 176.29 1is7 n VAL 19 N 4.33 0.00 -3.62 -6.03 0.24 0.39 -1.59 118.33 112.04 1is7 n VAL 19 Ca 0.04 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.82 1is7 n VAL 19 Cb 0.50 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1is7 n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1is7 s GLY 20 N -0.97 -0.35 0.34 7.63 0.00 -0.95 -4.75 107.32 108.25 1is7 s GLY 20 Ca 0.01 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1is7 s GLY 20 CO 0.04 0.23 0.24 2.09 0.00 0.00 0.00 173.10 175.70 1is7 n ASP 21 N -0.33 2.11 -0.01 1.64 5.75 -1.26 0.13 116.55 124.59 1is7 n ASP 21 Ca -0.06 -2.17 0.13 0.00 -0.01 0.00 0.00 54.79 52.68 1is7 n ASP 21 Cb 0.61 -0.01 0.57 0.00 -1.03 0.00 0.00 41.12 41.26 1is7 n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1is7 h GLU 22 N 0.00 0.24 -1.00 0.11 4.81 -1.94 -2.20 114.58 114.59 1is7 h GLU 22 Ca -0.22 -0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.50 1is7 h GLU 22 Cb 0.78 -0.05 -0.29 0.00 0.63 0.00 0.00 28.75 29.82 1is7 h GLU 22 CO 0.34 0.16 0.64 0.72 -0.73 0.00 0.00 179.01 180.13 1is7 n HIS 23 N -4.46 2.91 -2.80 0.92 8.25 -1.26 -4.97 115.22 113.81 1is7 n HIS 23 Ca 0.08 -1.85 -0.31 0.00 -0.26 0.00 0.00 57.72 55.37 1is7 n HIS 23 Cb 0.38 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 1is7 n HIS 23 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1is7 s SER 24 N -1.20 6.57 -0.13 0.41 0.01 -0.83 -4.98 113.70 113.55 1is7 s SER 24 Ca 0.54 1.23 -0.29 0.00 1.31 0.00 0.00 55.95 58.74 1is7 s SER 24 Cb 0.45 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 64.26 1is7 s SER 24 CO 0.10 -0.41 2.02 -0.62 0.41 0.00 0.00 173.24 174.73 1is7 s ASP 25 N -3.05 5.98 0.38 2.44 -1.08 -1.26 -4.86 116.67 115.22 1is7 s ASP 25 Ca 0.53 2.12 0.09 0.00 -0.52 0.00 0.00 52.55 54.77 1is7 s ASP 25 Cb -0.10 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.68 1is7 s ASP 25 CO 0.30 -1.51 1.92 -0.65 0.52 0.00 0.00 175.17 175.76 1is7 h PRO 26 N 12.65 0.63 0.25 4.34 0.11 -1.97 -1.09 132.00 146.93 1is7 h PRO 26 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1is7 h PRO 26 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1is7 h PRO 26 CO 0.96 0.42 -0.12 0.93 -0.21 0.00 0.00 178.00 179.98 1is7 h GLU 27 N 0.65 -0.33 -0.70 1.05 5.08 -1.99 -1.33 114.58 117.01 1is7 h GLU 27 Ca 0.37 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1is7 h GLU 27 Cb 0.54 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1is7 h GLU 27 CO -0.14 -0.00 0.35 1.25 -1.00 0.00 0.00 179.01 179.47 1is7 h LEU 28 N -0.69 0.46 -0.62 1.33 5.85 -1.88 0.13 115.31 119.89 1is7 h LEU 28 Ca -0.03 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1is7 h LEU 28 Cb 0.48 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1is7 h LEU 28 CO 0.06 0.27 0.38 0.24 -0.34 0.00 0.00 178.44 179.04 1is7 h MET 29 N 0.60 0.72 -0.73 1.25 2.86 -1.13 -1.80 114.93 116.71 1is7 h MET 29 Ca 0.34 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1is7 h MET 29 Cb 0.35 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1is7 h MET 29 CO -0.26 0.48 0.19 0.37 1.06 0.00 0.00 176.91 178.75 1is7 h GLN 30 N 0.75 1.15 -0.57 1.72 4.15 0.05 -1.66 115.11 120.70 1is7 h GLN 30 Ca 0.25 -0.27 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1is7 h GLN 30 Cb 0.03 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1is7 h GLN 30 CO -0.11 1.00 0.38 1.96 -1.93 0.00 0.00 178.83 180.13 1is7 h GLN 31 N 1.10 0.67 0.00 1.69 4.20 -0.06 -1.16 115.11 121.55 1is7 h GLN 31 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1is7 h GLN 31 Cb 0.36 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1is7 h GLN 31 CO -0.00 0.44 -0.18 1.28 -0.67 0.00 0.00 178.83 179.70 1is7 n LEU 32 N -4.46 0.44 -0.54 1.46 4.77 -0.75 -4.92 117.00 113.00 1is7 n LEU 32 Ca 0.06 0.40 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1is7 n LEU 32 Cb 0.11 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1is7 n LEU 32 CO 0.35 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.94 1is7 n GLY 33 N 1.42 0.25 3.72 -0.72 0.00 -0.44 -5.00 105.19 104.42 1is7 n GLY 33 Ca 0.06 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1is7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is7 s ALA 34 N -2.30 3.22 0.56 4.61 0.00 -0.69 -4.84 121.76 122.32 1is7 s ALA 34 Ca 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1is7 s ALA 34 Cb -0.01 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1is7 s ALA 34 CO 0.02 -0.11 0.83 -1.12 0.00 0.00 0.00 175.76 175.38 1is7 s SER 35 N 0.47 5.56 0.07 0.00 0.01 0.14 -4.75 113.70 115.19 1is7 s SER 35 Ca 0.48 0.49 0.07 0.00 1.31 0.00 0.00 55.95 58.31 1is7 s SER 35 Cb -0.22 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1is7 s SER 35 CO 0.28 -1.02 -0.20 -0.75 0.41 0.00 0.00 173.24 171.97 1is7 s LYS 36 N -4.87 1.18 0.13 12.44 2.20 -1.26 -1.03 119.74 128.53 1is7 s LYS 36 Ca 0.53 -1.01 -0.25 0.00 -0.36 0.00 0.00 55.97 54.87 1is7 s LYS 36 Cb -0.10 -1.34 0.07 0.00 -1.51 0.00 0.00 37.83 34.95 1is7 s LYS 36 CO 0.42 0.32 0.93 -0.98 -0.36 0.00 0.00 175.35 175.69 1is7 s ARG 37 N -1.52 1.15 -0.24 4.03 1.70 -0.58 -4.98 118.95 118.51 1is7 s ARG 37 Ca 0.06 -0.61 -0.02 0.00 -0.47 0.00 0.00 55.73 54.69 1is7 s ARG 37 Cb -0.09 0.41 0.08 0.00 -0.57 0.00 0.00 34.95 34.78 1is7 s ARG 37 CO 0.03 -0.52 0.07 0.50 -1.08 0.00 0.00 175.30 174.29 1is7 s ARG 38 N -3.29 0.61 0.29 3.89 3.52 -1.26 -0.02 118.95 122.70 1is7 s ARG 38 Ca 0.11 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1is7 s ARG 38 Cb -0.01 -1.95 -0.11 0.00 -1.56 0.00 0.00 34.95 31.31 1is7 s ARG 38 CO 0.00 -0.79 1.50 0.08 -0.81 0.00 0.00 175.30 175.28 1is7 s VAL 39 N 1.82 2.34 0.21 7.11 1.01 -1.26 -4.89 120.40 126.74 1is7 s VAL 39 Ca 0.03 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1is7 s VAL 39 Cb -0.17 -3.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.86 1is7 s VAL 39 CO -0.17 0.05 0.98 -0.11 0.00 0.00 0.00 175.10 175.85 1is7 n LEU 40 N 1.91 0.99 0.00 3.92 0.00 -1.26 -0.70 117.00 121.86 1is7 n LEU 40 Ca 0.06 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.22 1is7 n LEU 40 Cb 0.39 -1.17 0.00 0.00 0.00 0.00 0.00 43.42 42.64 1is7 n LEU 40 CO 0.62 -1.70 0.00 0.61 0.00 0.00 0.00 177.39 176.92 1is7 n GLY 41 N 1.70 2.94 3.83 -3.96 0.00 -1.26 -5.02 105.19 103.42 1is7 n GLY 41 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1is7 n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1is7 s ASN 42 N -0.28 6.95 -0.72 1.61 0.02 0.12 -4.98 114.94 117.66 1is7 s ASN 42 Ca 0.00 1.32 -0.02 0.00 -1.02 0.00 0.00 52.86 53.14 1is7 s ASN 42 Cb 0.00 -2.38 0.42 0.00 0.02 0.00 0.00 41.25 39.31 1is7 s ASN 42 CO 0.00 -0.01 2.02 -0.46 0.02 0.00 0.00 177.10 178.67 1is7 n ASN 43 N 0.49 7.62 -3.56 -1.22 2.04 -1.26 -4.78 115.26 114.58 1is7 n ASN 43 Ca -0.02 -3.80 -0.11 0.00 -0.44 0.00 0.00 54.58 50.21 1is7 n ASN 43 Cb 0.52 -1.00 -0.05 0.00 -2.53 0.00 0.00 39.78 36.72 1is7 n ASN 43 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 1is7 s PHE 44 N -3.90 -0.39 0.18 -2.53 -0.12 -1.26 -5.17 117.98 104.80 1is7 s PHE 44 Ca 0.61 0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 58.05 1is7 s PHE 44 Cb 0.49 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 43.29 1is7 s PHE 44 CO -0.13 -0.40 0.39 0.71 -0.05 0.00 0.00 175.22 175.74 1is7 s TYR 45 N -1.52 3.48 0.02 3.49 1.51 -1.26 -4.45 117.35 118.62 1is7 s TYR 45 Ca -0.01 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1is7 s TYR 45 Cb -0.01 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1is7 s TYR 45 CO 0.00 0.39 -0.05 -1.83 -1.11 0.00 0.00 175.55 172.95 1is7 s GLU 46 N -3.09 0.39 -0.22 -0.62 -1.05 0.97 -3.25 118.70 111.83 1is7 s GLU 46 Ca 0.40 -0.48 -0.08 0.00 -0.15 0.00 0.00 54.97 54.66 1is7 s GLU 46 Cb -0.11 -0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.34 1is7 s GLU 46 CO 0.28 0.04 0.09 0.71 0.95 0.00 0.00 175.26 177.33 1is7 s TYR 47 N -0.89 3.19 0.32 4.83 1.51 0.12 -1.52 117.35 124.91 1is7 s TYR 47 Ca -0.07 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1is7 s TYR 47 Cb -0.07 -2.19 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1is7 s TYR 47 CO -0.00 -0.08 0.02 1.52 -1.11 0.00 0.00 175.55 175.90 1is7 s TYR 48 N 1.07 1.98 -0.02 2.71 -0.85 -0.20 -0.46 117.35 121.57 1is7 s TYR 48 Ca 0.05 -0.88 -0.06 0.00 -0.52 0.00 0.00 57.07 55.66 1is7 s TYR 48 Cb -0.14 -1.26 0.01 0.00 0.38 0.00 0.00 41.96 40.94 1is7 s TYR 48 CO 0.04 0.10 0.14 0.08 -1.52 0.00 0.00 175.55 174.38 1is7 s VAL 49 N -3.20 0.05 -1.83 -3.49 1.01 -0.21 -0.69 120.40 112.05 1is7 s VAL 49 Ca 0.34 -0.40 0.31 0.00 0.00 0.00 0.00 61.98 62.24 1is7 s VAL 49 Cb 0.08 -0.33 0.75 0.00 0.00 0.00 0.00 36.38 36.88 1is7 s VAL 49 CO 0.14 -0.22 2.14 0.59 0.00 0.00 0.00 175.10 177.75 1is7 n ASN 50 N 2.14 0.09 -4.86 3.32 4.13 -1.26 -0.16 115.26 118.66 1is7 n ASN 50 Ca -0.18 -0.74 -0.31 0.00 1.68 0.00 0.00 54.58 55.03 1is7 n ASN 50 Cb 0.57 -0.09 -0.01 0.00 -1.54 0.00 0.00 39.78 38.71 1is7 n ASN 50 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1is7 s ASP 51 N -2.20 6.41 0.54 6.41 1.01 -1.26 -4.09 116.67 123.47 1is7 s ASP 51 Ca 0.41 1.45 -0.20 0.00 0.71 0.00 0.00 52.55 54.92 1is7 s ASP 51 Cb 0.21 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1is7 s ASP 51 CO 0.40 -0.72 1.12 -2.84 0.21 0.00 0.00 175.17 173.34 1is7 s PRO 52 N -4.65 3.42 0.46 8.23 0.02 -1.26 -3.83 135.00 137.38 1is7 s PRO 52 Ca 0.56 1.57 0.21 0.00 0.02 0.00 0.00 61.00 63.36 1is7 s PRO 52 Cb -0.10 -2.02 1.19 0.00 0.02 0.00 0.00 34.50 33.59 1is7 s PRO 52 CO 0.43 -0.79 1.89 -1.00 -0.33 0.00 0.00 177.00 177.21 1is7 h PRO 53 N 1.24 0.28 -0.70 5.54 0.13 -1.83 -1.51 132.00 135.15 1is7 h PRO 53 Ca -0.50 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1is7 h PRO 53 Cb 1.26 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1is7 h PRO 53 CO 0.57 0.18 0.46 -0.09 -0.23 0.00 0.00 178.00 178.89 1is7 h ARG 54 N 0.28 0.93 -0.30 0.86 2.43 -1.91 -0.46 114.38 116.21 1is7 h ARG 54 Ca 0.41 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1is7 h ARG 54 Cb 1.18 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1is7 h ARG 54 CO -0.11 0.62 0.15 0.82 -1.51 0.00 0.00 179.97 179.94 1is7 h ILE 55 N 0.95 1.15 0.00 1.20 1.08 -1.65 -2.30 117.51 117.94 1is7 h ILE 55 Ca 0.26 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1is7 h ILE 55 Cb -0.10 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1is7 h ILE 55 CO -0.05 0.15 -0.09 0.58 -0.69 0.00 0.00 178.15 178.05 1is7 h VAL 56 N 0.35 0.91 -0.21 1.67 2.07 -1.16 -1.94 116.25 117.95 1is7 h VAL 56 Ca 0.10 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1is7 h VAL 56 Cb 0.11 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1is7 h VAL 56 CO -0.01 0.08 -0.54 -0.07 0.02 0.00 0.00 177.57 177.05 1is7 h LEU 57 N 0.00 0.68 0.03 2.57 3.38 -0.55 -1.50 115.31 119.92 1is7 h LEU 57 Ca -0.00 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1is7 h LEU 57 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1is7 h LEU 57 CO 0.01 1.09 -0.01 0.44 0.09 0.00 0.00 178.44 180.05 1is7 h ASP 58 N 0.48 -0.03 -0.69 -0.43 3.32 -0.99 -2.08 116.42 115.99 1is7 h ASP 58 Ca 0.01 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 56.81 1is7 h ASP 58 Cb 1.09 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 1is7 h ASP 58 CO 0.11 0.32 0.35 0.11 -1.72 0.00 0.00 179.24 178.40 1is7 h LYS 59 N -0.39 0.59 -0.02 3.56 1.57 -1.41 -1.18 116.57 119.30 1is7 h LYS 59 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1is7 h LYS 59 Cb 0.36 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1is7 h LYS 59 CO 0.01 0.39 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.10 1is7 h LEU 60 N 0.61 0.02 -0.54 2.94 4.07 -1.14 -2.15 115.31 119.11 1is7 h LEU 60 Ca 0.33 -0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.14 1is7 h LEU 60 Cb 0.32 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1is7 h LEU 60 CO -0.25 0.13 -0.38 -0.08 -1.08 0.00 0.00 178.44 176.79 1is7 h GLU 61 N 0.02 0.76 -0.01 1.13 4.81 -0.50 -1.69 114.58 119.11 1is7 h GLU 61 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1is7 h GLU 61 Cb 0.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1is7 h GLU 61 CO 0.01 1.01 0.01 0.00 -0.73 0.00 0.00 179.01 179.31 1is7 n ARG 63 N -4.54 2.05 -0.40 0.00 3.00 -1.01 -4.91 116.66 110.84 1is7 n ARG 63 Ca -0.03 -1.37 0.00 0.00 -0.01 0.00 0.00 57.85 56.45 1is7 n ARG 63 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.17 1is7 n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1is7 n GLY 64 N 0.95 0.79 3.90 -0.13 0.00 0.21 -5.05 105.19 105.85 1is7 n GLY 64 Ca 0.13 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1is7 n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1is7 s PHE 65 N -2.00 3.52 0.02 1.61 0.40 -0.67 -4.41 117.98 116.46 1is7 s PHE 65 Ca 0.00 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.83 1is7 s PHE 65 Cb 0.00 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1is7 s PHE 65 CO 0.00 0.54 -0.15 0.50 0.70 0.00 0.00 175.22 176.81 1is7 s ARG 66 N -2.32 1.09 -0.22 0.44 3.52 0.11 -4.00 118.95 117.57 1is7 s ARG 66 Ca 0.35 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 1is7 s ARG 66 Cb -0.13 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.15 1is7 s ARG 66 CO 0.23 0.28 1.39 0.08 -0.81 0.00 0.00 175.30 176.47 1is7 s VAL 67 N -0.68 4.04 -0.14 7.11 1.01 -1.26 -0.59 120.40 129.89 1is7 s VAL 67 Ca 0.04 1.20 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 1is7 s VAL 67 Cb -0.07 -3.96 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 1is7 s VAL 67 CO 0.01 -0.31 0.29 0.18 0.00 0.00 0.00 175.10 175.27 1is7 n LEU 68 N 7.49 2.66 -3.66 3.92 4.77 0.10 -4.95 117.00 127.33 1is7 n LEU 68 Ca 0.16 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1is7 n LEU 68 Cb 0.45 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.37 1is7 n LEU 68 CO 0.61 0.85 0.20 -0.55 -1.33 0.00 0.00 177.39 177.18 1is7 s SER 69 N -6.98 -0.41 -0.05 -1.43 0.15 -1.11 -5.01 113.70 98.86 1is7 s SER 69 Ca -0.24 0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.87 1is7 s SER 69 Cb 0.07 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 1is7 s SER 69 CO 0.74 -0.48 -0.09 -0.32 1.20 0.00 0.00 173.24 174.30 1is7 s MET 70 N -1.08 1.21 0.05 5.44 1.75 -1.26 -0.19 119.30 125.23 1is7 s MET 70 Ca -0.11 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 53.95 1is7 s MET 70 Cb -0.03 -1.08 0.00 0.00 2.84 0.00 0.00 34.83 36.56 1is7 s MET 70 CO 0.06 0.03 0.18 -0.08 -0.65 0.00 0.00 175.02 174.56 1is7 s THR 71 N 0.58 0.12 0.08 10.11 -1.32 0.51 -4.99 115.64 120.73 1is7 s THR 71 Ca -0.10 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1is7 s THR 71 Cb -0.13 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 1is7 s THR 71 CO 0.02 -0.54 0.21 -0.83 -2.21 0.00 0.00 174.62 171.26 1is7 s GLY 72 N -2.26 2.08 -0.30 6.08 0.00 -1.26 -0.28 107.32 111.38 1is7 s GLY 72 Ca -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 1is7 s GLY 72 CO -0.06 -0.88 0.61 0.54 0.00 0.00 0.00 173.10 173.32 1is7 s VAL 73 N -1.54 -0.99 0.00 1.40 0.11 -0.05 -4.97 120.40 114.36 1is7 s VAL 73 Ca 0.34 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1is7 s VAL 73 Cb -0.13 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1is7 s VAL 73 CO 0.27 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1is7 n GLY 74 N 5.44 2.29 1.45 6.54 0.00 -1.26 -0.96 105.19 118.67 1is7 n GLY 74 Ca -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 1is7 n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1is7 n GLN 75 N 13.21 2.59 -4.53 1.61 1.13 -1.26 -4.96 117.38 125.17 1is7 n GLN 75 Ca 0.00 -3.06 -0.33 0.00 -1.94 0.00 0.00 57.00 51.67 1is7 n GLN 75 Cb 0.00 -1.97 -0.14 0.00 0.11 0.00 0.00 30.24 28.24 1is7 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1is7 s THR 76 N -3.10 3.07 -0.24 5.09 2.01 -0.14 -1.82 115.64 120.52 1is7 s THR 76 Ca 0.48 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1is7 s THR 76 Cb 0.41 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1is7 s THR 76 CO 0.07 0.50 0.20 -0.22 -0.69 0.00 0.00 174.62 174.48 1is7 s LEU 77 N 0.66 4.11 -0.05 4.42 2.96 -0.15 -0.87 118.68 129.76 1is7 s LEU 77 Ca -0.06 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1is7 s LEU 77 Cb -0.15 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1is7 s LEU 77 CO 0.02 0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.16 1is7 s VAL 78 N 1.21 1.83 -0.09 1.68 1.01 0.62 -1.43 120.40 125.23 1is7 s VAL 78 Ca 0.09 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1is7 s VAL 78 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1is7 s VAL 78 CO 0.06 0.52 -0.14 0.26 0.00 0.00 0.00 175.10 175.79 1is7 s TRP 79 N -0.19 2.75 -0.31 5.22 0.51 0.09 -0.37 118.94 126.64 1is7 s TRP 79 Ca -0.01 -0.45 -0.06 0.00 -2.12 0.00 0.00 56.10 53.46 1is7 s TRP 79 Cb -0.12 -1.74 0.03 0.00 -0.81 0.00 0.00 33.47 30.82 1is7 s TRP 79 CO 0.02 -0.05 0.08 0.00 -0.51 0.00 0.00 176.95 176.49 1is7 s LEU 81 N 1.42 3.34 -0.03 0.00 1.02 0.16 -0.72 118.68 123.87 1is7 s LEU 81 Ca -0.00 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 53.96 1is7 s LEU 81 Cb -0.18 -2.08 -0.00 0.00 0.02 0.00 0.00 46.19 43.95 1is7 s LEU 81 CO 0.02 0.18 -0.15 -2.28 0.02 0.00 0.00 176.35 174.14 1is7 s HIS 82 N -1.27 1.52 0.00 0.29 2.46 0.24 -0.76 115.29 117.78 1is7 s HIS 82 Ca 0.24 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.37 1is7 s HIS 82 Cb -0.11 -1.02 0.00 0.00 -0.13 0.00 0.00 32.58 31.31 1is7 s HIS 82 CO 0.16 -0.13 0.00 1.17 -2.47 0.00 0.00 174.74 173.48 1is7 n LYS 83 N 3.08 0.00 0.00 2.88 4.81 0.58 -0.71 118.16 128.80 1is7 n LYS 83 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1is7 n LYS 83 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1is7 n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66