#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 -5.96 0.03 0.13 -1.96 -3.46 132.00 120.78 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 0.67 -0.54 0.71 -0.23 0.00 0.00 178.00 178.61 1is7 s TYR 3 N -3.10 3.40 0.01 1.56 1.51 -1.26 0.05 117.35 119.52 1is7 s TYR 3 Ca 0.01 0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1is7 s TYR 3 Cb 0.10 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1is7 s TYR 3 CO 0.76 0.58 -0.02 -1.17 -1.11 0.00 0.00 175.55 174.60 1is7 s LEU 4 N -2.10 2.13 -0.08 -1.29 2.96 0.72 -5.00 118.68 116.02 1is7 s LEU 4 Ca 0.28 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1is7 s LEU 4 Cb -0.12 0.06 0.02 0.00 0.50 0.00 0.00 46.19 46.64 1is7 s LEU 4 CO 0.20 -0.16 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.21 1is7 s LEU 5 N -0.80 1.47 0.16 -0.68 1.43 -1.26 -0.33 118.68 118.67 1is7 s LEU 5 Ca -0.09 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1is7 s LEU 5 Cb -0.05 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1is7 s LEU 5 CO -0.01 -0.02 -0.13 0.27 0.23 0.00 0.00 176.35 176.69 1is7 s ILE 6 N 1.03 1.43 0.23 -0.59 -4.36 -0.81 -4.39 121.20 113.74 1is7 s ILE 6 Ca -0.08 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.10 1is7 s ILE 6 Cb -0.15 -1.83 0.03 0.00 1.25 0.00 0.00 42.46 41.77 1is7 s ILE 6 CO -0.01 -0.59 0.63 -0.94 0.24 0.00 0.00 174.94 174.27 1is7 s SER 7 N -3.00 -0.31 0.17 4.36 1.04 -0.42 -0.95 113.70 114.58 1is7 s SER 7 Ca 0.16 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 1is7 s SER 7 Cb -0.01 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1is7 s SER 7 CO 0.04 -1.18 0.28 0.28 0.98 0.00 0.00 173.24 173.64 1is7 s THR 8 N -3.88 0.06 0.14 2.02 -1.32 -0.62 -0.11 115.64 111.92 1is7 s THR 8 Ca 0.09 -1.47 0.06 0.00 -1.21 0.00 0.00 61.69 59.16 1is7 s THR 8 Cb -0.03 -1.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.97 1is7 s THR 8 CO 0.00 -0.25 -0.14 -1.10 -2.21 0.00 0.00 174.62 170.92 1is7 s GLN 9 N -3.99 1.07 0.00 7.08 -0.21 -1.26 -0.89 119.66 121.46 1is7 s GLN 9 Ca 0.20 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.26 1is7 s GLN 9 Cb 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 33.14 1is7 s GLN 9 CO 0.02 0.17 0.00 -0.89 -2.12 0.00 0.00 175.29 172.47 1is7 n ILE 10 N 0.32 0.00 -4.17 1.08 5.41 -0.78 -4.67 119.36 116.56 1is7 n ILE 10 Ca -0.14 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.46 1is7 n ILE 10 Cb 0.58 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.51 0.15 0.38 1.81 -1.26 -5.06 118.95 115.48 1is7 s ARG 11 Ca 0.00 -0.38 0.17 0.00 -1.72 0.00 0.00 55.73 53.80 1is7 s ARG 11 Cb 0.00 -0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 34.01 1is7 s ARG 11 CO 0.00 0.11 1.06 0.00 -0.68 0.00 0.00 175.30 175.79 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 -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.39 1is7 h MET 12 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1is7 h MET 12 CO 0.47 0.32 0.00 -0.85 -0.00 0.00 0.00 176.91 176.85 1is7 n GLU 13 N -2.98 0.91 -3.72 -0.10 0.00 -1.26 -4.18 120.64 109.32 1is7 n GLU 13 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.01 1is7 n GLU 13 Cb 0.77 -1.11 -0.06 0.00 0.00 0.00 0.00 31.44 31.04 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 0.09 0.00 3.84 0.11 -1.26 -4.85 120.40 116.33 1is7 s VAL 14 Ca 0.09 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1is7 s VAL 14 Cb 0.04 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1is7 s VAL 14 CO 0.07 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.06 1is7 n GLY 15 N 0.10 0.60 3.65 6.54 0.00 -1.26 -4.63 105.19 110.20 1is7 n GLY 15 Ca -0.17 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.04 0.58 -0.08 1.61 0.04 -1.26 -4.97 135.00 130.88 1is7 s PRO 16 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1is7 s PRO 16 Cb 0.00 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.82 1is7 s PRO 16 CO 0.00 -2.71 -0.14 0.99 0.04 0.00 0.00 177.00 175.17 1is7 s THR 17 N -2.81 1.35 -0.10 1.26 2.01 0.39 -4.49 115.64 113.25 1is7 s THR 17 Ca 0.65 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.80 1is7 s THR 17 Cb -0.20 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1is7 s THR 17 CO 0.59 0.40 0.88 -0.04 -0.69 0.00 0.00 174.62 175.76 1is7 s MET 18 N 0.72 4.41 0.00 4.92 -1.94 0.84 -1.08 119.30 127.17 1is7 s MET 18 Ca -0.13 1.16 0.00 0.00 -1.71 0.00 0.00 55.69 55.01 1is7 s MET 18 Cb -0.16 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1is7 s MET 18 CO 0.03 -0.19 0.19 1.33 -0.01 0.00 0.00 175.02 176.38 1is7 n VAL 19 N 4.32 0.00 -3.63 -6.03 0.24 0.01 -1.31 118.33 111.94 1is7 n VAL 19 Ca 0.05 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1is7 n VAL 19 Cb 0.50 1.00 -0.01 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 -0.60 -0.35 0.36 7.63 0.00 -1.02 -4.77 107.32 108.56 1is7 s GLY 20 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 44.72 45.54 1is7 s GLY 20 CO 0.00 0.22 0.19 2.09 0.00 0.00 0.00 173.10 175.60 1is7 n ASP 21 N -0.36 2.40 -0.04 1.64 5.75 -1.26 -0.23 116.55 124.44 1is7 n ASP 21 Ca -0.06 -2.33 0.14 0.00 -0.01 0.00 0.00 54.79 52.53 1is7 n ASP 21 Cb 0.61 0.05 0.56 0.00 -1.03 0.00 0.00 41.12 41.31 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 0.27 -1.00 0.11 4.81 -1.94 -2.26 114.58 114.56 1is7 h GLU 22 Ca -0.25 -0.02 -0.51 0.00 -0.13 0.00 0.00 59.36 58.46 1is7 h GLU 22 Cb 0.85 -0.06 -0.29 0.00 0.63 0.00 0.00 28.75 29.88 1is7 h GLU 22 CO 0.40 0.18 0.65 0.72 -0.73 0.00 0.00 179.01 180.22 1is7 n HIS 23 N -4.45 2.94 -2.61 0.92 8.25 -1.26 -4.97 115.22 114.04 1is7 n HIS 23 Ca 0.09 -1.89 -0.30 0.00 -0.26 0.00 0.00 57.72 55.37 1is7 n HIS 23 Cb 0.43 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.23 6.45 -0.14 0.41 0.01 -0.85 -4.99 113.70 113.37 1is7 s SER 24 Ca 0.55 1.20 -0.29 0.00 1.31 0.00 0.00 55.95 58.71 1is7 s SER 24 Cb 0.46 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 1is7 s SER 24 CO 0.09 -0.53 1.87 -0.62 0.41 0.00 0.00 173.24 174.47 1is7 s ASP 25 N -3.47 6.18 0.39 2.44 -1.08 -1.26 -4.87 116.67 114.99 1is7 s ASP 25 Ca 0.52 2.03 0.09 0.00 -0.52 0.00 0.00 52.55 54.67 1is7 s ASP 25 Cb -0.10 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.69 1is7 s ASP 25 CO 0.37 -1.36 1.95 -0.65 0.52 0.00 0.00 175.17 176.00 1is7 h PRO 26 N 11.74 0.60 0.03 4.34 0.11 -1.97 -1.22 132.00 145.64 1is7 h PRO 26 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1is7 h PRO 26 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1is7 h PRO 26 CO 0.97 0.40 -0.02 0.93 -0.21 0.00 0.00 178.00 180.07 1is7 h GLU 27 N 0.62 -0.04 -0.76 1.05 5.08 -1.99 -1.28 114.58 117.27 1is7 h GLU 27 Ca 0.32 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1is7 h GLU 27 Cb 0.43 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1is7 h GLU 27 CO -0.11 0.35 0.48 1.25 -1.00 0.00 0.00 179.01 179.98 1is7 h LEU 28 N -0.44 0.80 -0.67 1.33 5.85 -1.87 0.96 115.31 121.27 1is7 h LEU 28 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1is7 h LEU 28 Cb 0.41 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1is7 h LEU 28 CO 0.01 0.56 0.42 0.24 -0.34 0.00 0.00 178.44 179.33 1is7 h MET 29 N 0.94 0.89 -0.72 1.25 2.86 -1.19 -1.95 114.93 117.03 1is7 h MET 29 Ca 0.30 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1is7 h MET 29 Cb -0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 1is7 h MET 29 CO -0.10 0.61 0.25 0.37 1.06 0.00 0.00 176.91 179.09 1is7 h GLN 30 N 0.91 1.10 -0.05 1.72 4.15 -0.26 -1.61 115.11 121.07 1is7 h GLN 30 Ca 0.24 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1is7 h GLN 30 Cb -0.07 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.45 1is7 h GLN 30 CO -0.05 0.93 -0.02 1.96 -1.93 0.00 0.00 178.83 179.72 1is7 h GLN 31 N 1.04 0.06 -0.00 1.69 4.20 -0.29 -0.83 115.11 120.99 1is7 h GLN 31 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1is7 h GLN 31 Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1is7 h GLN 31 CO -0.01 0.10 -0.35 1.28 -0.67 0.00 0.00 178.83 179.18 1is7 n LEU 32 N -4.47 0.54 -1.90 1.46 4.77 -0.78 -4.94 117.00 111.68 1is7 n LEU 32 Ca -0.02 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1is7 n LEU 32 Cb 0.13 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1is7 n LEU 32 CO 0.35 0.12 0.09 0.61 -1.33 0.00 0.00 177.39 177.23 1is7 n GLY 33 N 1.44 0.20 3.78 -0.72 0.00 -0.32 -4.99 105.19 104.59 1is7 n GLY 33 Ca 0.08 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.08 3.47 0.30 4.61 0.00 -0.68 -4.83 121.76 121.55 1is7 s ALA 34 Ca 0.25 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1is7 s ALA 34 Cb -0.11 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1is7 s ALA 34 CO 0.31 0.30 0.47 -1.12 0.00 0.00 0.00 175.76 175.72 1is7 s SER 35 N -1.05 6.29 0.11 0.00 0.01 0.07 -4.78 113.70 114.36 1is7 s SER 35 Ca 0.35 0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.99 1is7 s SER 35 Cb -0.22 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1is7 s SER 35 CO 0.24 -0.21 -0.26 -0.75 0.41 0.00 0.00 173.24 172.68 1is7 s LYS 36 N -4.18 1.51 0.07 12.44 2.20 -1.26 -1.01 119.74 129.51 1is7 s LYS 36 Ca 0.38 -1.29 -0.27 0.00 -0.36 0.00 0.00 55.97 54.42 1is7 s LYS 36 Cb -0.09 -1.93 0.08 0.00 -1.51 0.00 0.00 37.83 34.38 1is7 s LYS 36 CO 0.33 0.46 0.96 -0.98 -0.36 0.00 0.00 175.35 175.76 1is7 s ARG 37 N -1.93 0.97 -0.26 4.03 1.70 -0.55 -4.98 118.95 117.94 1is7 s ARG 37 Ca 0.14 -0.48 -0.01 0.00 -0.47 0.00 0.00 55.73 54.91 1is7 s ARG 37 Cb -0.10 0.37 0.08 0.00 -0.57 0.00 0.00 34.95 34.73 1is7 s ARG 37 CO 0.06 -0.44 0.05 0.50 -1.08 0.00 0.00 175.30 174.39 1is7 s ARG 38 N -3.14 0.87 0.34 3.89 3.52 -1.26 -0.12 118.95 123.04 1is7 s ARG 38 Ca 0.09 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.53 1is7 s ARG 38 Cb -0.01 -2.17 -0.11 0.00 -1.56 0.00 0.00 34.95 31.11 1is7 s ARG 38 CO -0.03 -0.81 1.49 0.08 -0.81 0.00 0.00 175.30 175.22 1is7 s VAL 39 N 1.64 2.19 0.15 7.11 1.01 -1.26 -4.88 120.40 126.36 1is7 s VAL 39 Ca 0.04 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 61.86 1is7 s VAL 39 Cb -0.18 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 1is7 s VAL 39 CO -0.16 0.04 1.22 -0.11 0.00 0.00 0.00 175.10 176.09 1is7 n LEU 40 N 1.15 1.61 0.00 3.92 0.00 -1.26 -1.06 117.00 121.36 1is7 n LEU 40 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.18 1is7 n LEU 40 Cb 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1is7 n LEU 40 CO 0.63 -1.20 0.00 0.61 0.00 0.00 0.00 177.39 177.43 1is7 n GLY 41 N 2.17 3.15 3.83 -3.96 0.00 -1.26 -5.03 105.19 104.09 1is7 n GLY 41 Ca 0.16 0.00 -0.37 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 -0.64 6.95 -0.61 1.61 0.02 -0.22 -4.98 114.94 117.07 1is7 s ASN 42 Ca 0.00 1.20 -0.02 0.00 -1.02 0.00 0.00 52.86 53.02 1is7 s ASN 42 Cb 0.00 -2.34 0.39 0.00 0.02 0.00 0.00 41.25 39.32 1is7 s ASN 42 CO 0.00 0.15 2.05 -0.46 0.02 0.00 0.00 177.10 178.86 1is7 n ASN 43 N 1.09 7.43 -3.51 -1.22 2.04 -1.26 -4.77 115.26 115.04 1is7 n ASN 43 Ca -0.06 -3.63 -0.12 0.00 -0.44 0.00 0.00 54.58 50.32 1is7 n ASN 43 Cb 0.51 -1.01 -0.04 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 -3.39 -0.46 0.14 -2.53 -0.12 -1.26 -5.16 117.98 105.19 1is7 s PHE 44 Ca 0.57 0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 58.02 1is7 s PHE 44 Cb 0.45 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 43.28 1is7 s PHE 44 CO -0.04 -0.55 0.32 0.71 -0.05 0.00 0.00 175.22 175.61 1is7 s TYR 45 N -2.17 3.49 0.03 3.49 1.51 -1.26 -4.45 117.35 117.98 1is7 s TYR 45 Ca -0.02 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1is7 s TYR 45 Cb -0.01 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 1is7 s TYR 45 CO -0.02 0.47 -0.07 -1.83 -1.11 0.00 0.00 175.55 172.99 1is7 s GLU 46 N -2.94 0.48 -0.20 -0.62 -1.05 0.82 -3.31 118.70 111.88 1is7 s GLU 46 Ca 0.37 -0.55 -0.08 0.00 -0.15 0.00 0.00 54.97 54.56 1is7 s GLU 46 Cb -0.12 -0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.22 1is7 s GLU 46 CO 0.28 0.07 0.07 0.71 0.95 0.00 0.00 175.26 177.34 1is7 s TYR 47 N -0.94 3.21 0.29 4.83 1.51 0.68 -1.48 117.35 125.44 1is7 s TYR 47 Ca -0.06 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1is7 s TYR 47 Cb -0.07 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.59 1is7 s TYR 47 CO 0.00 0.03 0.03 1.52 -1.11 0.00 0.00 175.55 176.02 1is7 s TYR 48 N 0.72 1.83 0.00 2.71 -0.85 -0.18 -0.81 117.35 120.77 1is7 s TYR 48 Ca 0.04 -0.93 -0.04 0.00 -0.52 0.00 0.00 57.07 55.62 1is7 s TYR 48 Cb -0.13 -1.13 -0.00 0.00 0.38 0.00 0.00 41.96 41.07 1is7 s TYR 48 CO 0.02 0.01 0.08 0.08 -1.52 0.00 0.00 175.55 174.21 1is7 s VAL 49 N -3.32 0.08 -1.56 -3.49 1.01 -0.24 -0.75 120.40 112.13 1is7 s VAL 49 Ca 0.34 -0.67 0.29 0.00 0.00 0.00 0.00 61.98 61.94 1is7 s VAL 49 Cb 0.07 -0.33 0.46 0.00 0.00 0.00 0.00 36.38 36.58 1is7 s VAL 49 CO 0.13 -0.37 1.90 0.59 0.00 0.00 0.00 175.10 177.36 1is7 n ASN 50 N 1.73 0.34 -4.84 3.32 4.13 -1.26 -0.46 115.26 118.21 1is7 n ASN 50 Ca -0.22 -0.43 -0.31 0.00 1.68 0.00 0.00 54.58 55.30 1is7 n ASN 50 Cb 0.56 -0.13 0.01 0.00 -1.54 0.00 0.00 39.78 38.69 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 -2.52 5.99 0.48 6.41 1.01 -1.26 -4.07 116.67 122.71 1is7 s ASP 51 Ca 0.28 1.54 -0.22 0.00 0.71 0.00 0.00 52.55 54.87 1is7 s ASP 51 Cb 0.20 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 1is7 s ASP 51 CO 0.48 -1.03 1.11 -2.84 0.21 0.00 0.00 175.17 173.10 1is7 s PRO 52 N -4.84 3.72 0.43 8.23 0.02 -1.26 -3.84 135.00 137.46 1is7 s PRO 52 Ca 0.57 1.59 0.20 0.00 0.02 0.00 0.00 61.00 63.39 1is7 s PRO 52 Cb -0.12 -2.25 1.14 0.00 0.02 0.00 0.00 34.50 33.29 1is7 s PRO 52 CO 0.49 -0.54 1.83 -1.00 -0.33 0.00 0.00 177.00 177.45 1is7 h PRO 53 N 1.78 0.34 -0.82 5.54 0.13 -1.82 -0.69 132.00 136.45 1is7 h PRO 53 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1is7 h PRO 53 Cb 1.24 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1is7 h PRO 53 CO 0.59 0.23 0.52 -0.09 -0.23 0.00 0.00 178.00 179.02 1is7 h ARG 54 N 0.35 1.10 -0.36 0.86 2.43 -1.91 -0.49 114.38 116.35 1is7 h ARG 54 Ca 0.51 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1is7 h ARG 54 Cb 1.37 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1is7 h ARG 54 CO -0.19 0.75 -0.10 0.82 -1.51 0.00 0.00 179.97 179.74 1is7 h ILE 55 N 1.12 1.28 -0.02 1.20 1.08 -1.50 -2.81 117.51 117.86 1is7 h ILE 55 Ca 0.30 -1.17 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 1is7 h ILE 55 Cb -0.08 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1is7 h ILE 55 CO -0.06 0.39 -0.21 0.58 -0.69 0.00 0.00 178.15 178.15 1is7 h VAL 56 N 0.49 1.16 -0.25 1.67 2.07 -1.07 -2.31 116.25 118.02 1is7 h VAL 56 Ca 0.09 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.70 1is7 h VAL 56 Cb 0.61 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1is7 h VAL 56 CO 0.04 0.22 -0.41 -0.07 0.02 0.00 0.00 177.57 177.38 1is7 h LEU 57 N 0.03 0.63 -0.20 2.57 3.38 -0.92 -1.47 115.31 119.34 1is7 h LEU 57 Ca 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1is7 h LEU 57 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1is7 h LEU 57 CO 0.03 0.97 -0.09 0.44 0.09 0.00 0.00 178.44 179.87 1is7 h ASP 58 N 0.49 0.42 -0.70 -0.43 3.32 -1.19 -2.00 116.42 116.33 1is7 h ASP 58 Ca 0.04 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.70 1is7 h ASP 58 Cb 0.92 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1is7 h ASP 58 CO 0.08 0.73 0.46 0.11 -1.72 0.00 0.00 179.24 178.91 1is7 h LYS 59 N 0.10 0.91 -0.25 3.56 1.57 -1.39 -2.09 116.57 118.98 1is7 h LYS 59 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1is7 h LYS 59 Cb 0.57 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1is7 h LYS 59 CO 0.03 0.60 0.05 -0.07 -0.57 0.00 0.00 179.45 179.49 1is7 h LEU 60 N 0.93 0.32 -0.79 2.94 4.07 -1.15 -2.08 115.31 119.56 1is7 h LEU 60 Ca 0.26 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 58.08 1is7 h LEU 60 Cb -0.08 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1is7 h LEU 60 CO -0.07 0.34 -0.27 -0.08 -1.08 0.00 0.00 178.44 177.28 1is7 h GLU 61 N 0.35 0.61 -0.25 1.13 4.81 -0.66 -1.95 114.58 118.62 1is7 h GLU 61 Ca 0.09 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1is7 h GLU 61 Cb 0.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1is7 h GLU 61 CO -0.00 0.82 0.15 0.00 -0.73 0.00 0.00 179.01 179.24 1is7 n ARG 63 N -4.48 1.82 -0.36 0.00 3.00 -0.93 -4.91 116.66 110.79 1is7 n ARG 63 Ca 0.01 -1.15 0.00 0.00 -0.01 0.00 0.00 57.85 56.70 1is7 n ARG 63 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 0.92 0.80 3.89 -0.13 0.00 -0.01 -5.06 105.19 105.61 1is7 n GLY 64 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.11 3.50 0.04 1.61 0.40 -0.78 -4.46 117.98 116.19 1is7 s PHE 65 Ca 0.00 0.60 0.05 0.00 -0.60 0.00 0.00 56.93 56.98 1is7 s PHE 65 Cb 0.00 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1is7 s PHE 65 CO 0.00 0.47 -0.16 0.50 0.70 0.00 0.00 175.22 176.73 1is7 s ARG 66 N -2.43 1.05 -0.13 0.44 3.52 -0.08 -3.95 118.95 117.36 1is7 s ARG 66 Ca 0.38 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 1is7 s ARG 66 Cb -0.13 -1.09 -0.02 0.00 -1.56 0.00 0.00 34.95 32.15 1is7 s ARG 66 CO 0.23 0.27 1.30 0.08 -0.81 0.00 0.00 175.30 176.37 1is7 s VAL 67 N -0.84 4.17 -0.20 7.11 1.01 -1.26 -0.83 120.40 129.56 1is7 s VAL 67 Ca 0.03 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1is7 s VAL 67 Cb -0.08 -3.92 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1is7 s VAL 67 CO 0.01 -0.10 0.02 0.18 0.00 0.00 0.00 175.10 175.21 1is7 n LEU 68 N 6.38 2.69 -3.65 3.92 4.77 0.32 -4.94 117.00 126.49 1is7 n LEU 68 Ca 0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1is7 n LEU 68 Cb 0.45 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1is7 n LEU 68 CO 0.57 0.88 0.21 -0.55 -1.33 0.00 0.00 177.39 177.16 1is7 s SER 69 N -6.65 -0.40 -0.03 -1.43 0.15 -1.11 -5.01 113.70 99.22 1is7 s SER 69 Ca -0.29 0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1is7 s SER 69 Cb 0.08 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1is7 s SER 69 CO 0.68 -0.53 -0.07 -0.32 1.20 0.00 0.00 173.24 174.19 1is7 s MET 70 N -1.34 0.95 0.09 5.44 1.75 -1.26 -0.09 119.30 124.84 1is7 s MET 70 Ca -0.12 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 53.96 1is7 s MET 70 Cb -0.03 -0.89 0.02 0.00 2.84 0.00 0.00 34.83 36.77 1is7 s MET 70 CO 0.06 0.04 0.30 -0.08 -0.65 0.00 0.00 175.02 174.69 1is7 s THR 71 N 0.47 0.10 0.14 10.11 -1.32 0.17 -4.99 115.64 120.32 1is7 s THR 71 Ca -0.07 -0.82 0.04 0.00 -1.21 0.00 0.00 61.69 59.63 1is7 s THR 71 Cb -0.11 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1is7 s THR 71 CO 0.01 -0.45 0.15 -0.83 -2.21 0.00 0.00 174.62 171.28 1is7 s GLY 72 N -2.63 1.78 -0.30 6.08 0.00 -1.26 -0.20 107.32 110.79 1is7 s GLY 72 Ca 0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 1is7 s GLY 72 CO -0.09 -1.15 0.63 0.54 0.00 0.00 0.00 173.10 173.03 1is7 s VAL 73 N -1.68 -0.97 0.00 1.40 0.11 -0.01 -4.96 120.40 114.29 1is7 s VAL 73 Ca 0.31 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1is7 s VAL 73 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1is7 s VAL 73 CO 0.24 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1is7 n GLY 74 N 5.43 2.21 1.53 6.54 0.00 -1.26 -0.93 105.19 118.71 1is7 n GLY 74 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 13.18 3.64 -4.54 1.61 1.13 -1.26 -4.94 117.38 126.20 1is7 n GLN 75 Ca 0.00 -3.04 -0.33 0.00 -1.94 0.00 0.00 57.00 51.68 1is7 n GLN 75 Cb 0.00 -2.08 -0.13 0.00 0.11 0.00 0.00 30.24 28.14 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 -2.90 3.39 -0.25 5.09 2.01 -0.11 -1.87 115.64 121.00 1is7 s THR 76 Ca 0.50 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1is7 s THR 76 Cb 0.40 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1is7 s THR 76 CO 0.12 0.50 0.18 -0.22 -0.69 0.00 0.00 174.62 174.50 1is7 s LEU 77 N 0.49 4.10 -0.04 4.42 2.96 -0.07 -0.83 118.68 129.71 1is7 s LEU 77 Ca -0.07 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1is7 s LEU 77 Cb -0.15 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1is7 s LEU 77 CO 0.04 0.04 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.18 1is7 s VAL 78 N 1.21 1.90 -0.08 1.68 1.01 0.72 -1.60 120.40 125.24 1is7 s VAL 78 Ca 0.08 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1is7 s VAL 78 Cb -0.14 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1is7 s VAL 78 CO 0.06 0.54 -0.20 0.26 0.00 0.00 0.00 175.10 175.76 1is7 s TRP 79 N -0.33 2.61 -0.29 5.22 0.51 -0.12 -0.66 118.94 125.87 1is7 s TRP 79 Ca 0.03 -0.64 -0.07 0.00 -2.12 0.00 0.00 56.10 53.30 1is7 s TRP 79 Cb -0.11 -1.69 0.01 0.00 -0.81 0.00 0.00 33.47 30.87 1is7 s TRP 79 CO 0.01 -0.17 0.08 0.00 -0.51 0.00 0.00 176.95 176.36 1is7 s LEU 81 N 1.51 3.05 -0.03 0.00 1.02 0.55 -0.52 118.68 124.25 1is7 s LEU 81 Ca 0.03 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.91 1is7 s LEU 81 Cb -0.17 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 1is7 s LEU 81 CO 0.02 0.21 -0.17 -2.28 0.02 0.00 0.00 176.35 174.16 1is7 s HIS 82 N -1.13 1.64 0.00 0.29 2.46 -0.01 -0.20 115.29 118.35 1is7 s HIS 82 Ca 0.20 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.30 1is7 s HIS 82 Cb -0.11 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.24 1is7 s HIS 82 CO 0.11 -0.13 0.00 1.17 -2.47 0.00 0.00 174.74 173.43 1is7 n LYS 83 N 3.02 0.00 0.00 2.88 4.81 0.11 -0.91 118.16 128.08 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