#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 0.04 -5.86 0.03 0.13 -1.96 -3.46 132.00 120.92 1is7 h PRO 2 Ca 0.00 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 64.45 1is7 h PRO 2 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 1is7 h PRO 2 CO 0.00 0.93 -0.48 0.71 -0.23 0.00 0.00 178.00 178.93 1is7 s TYR 3 N -2.96 3.54 0.01 1.56 1.51 -1.26 0.10 117.35 119.85 1is7 s TYR 3 Ca -0.00 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1is7 s TYR 3 Cb 0.10 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1is7 s TYR 3 CO 0.81 0.62 0.00 -1.17 -1.11 0.00 0.00 175.55 174.71 1is7 s LEU 4 N -2.10 2.07 -0.09 -1.29 2.96 0.15 -5.00 118.68 115.38 1is7 s LEU 4 Ca 0.30 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1is7 s LEU 4 Cb -0.13 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.71 1is7 s LEU 4 CO 0.21 -0.19 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.18 1is7 s LEU 5 N -0.89 1.44 0.22 -0.68 1.43 -1.26 -0.45 118.68 118.49 1is7 s LEU 5 Ca -0.10 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1is7 s LEU 5 Cb -0.06 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1is7 s LEU 5 CO -0.00 -0.04 -0.14 0.27 0.23 0.00 0.00 176.35 176.66 1is7 s ILE 6 N 1.19 1.81 0.14 -0.59 -4.36 -0.73 -4.41 121.20 114.26 1is7 s ILE 6 Ca -0.04 -2.23 -0.24 0.00 -0.26 0.00 0.00 60.65 57.88 1is7 s ILE 6 Cb -0.14 -2.10 0.07 0.00 1.25 0.00 0.00 42.46 41.54 1is7 s ILE 6 CO -0.03 -0.56 0.66 -0.94 0.24 0.00 0.00 174.94 174.32 1is7 s SER 7 N -3.34 -0.51 0.16 4.36 1.04 -0.58 -1.06 113.70 113.77 1is7 s SER 7 Ca 0.24 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.56 1is7 s SER 7 Cb -0.01 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1is7 s SER 7 CO 0.08 -0.94 0.19 0.28 0.98 0.00 0.00 173.24 173.83 1is7 s THR 8 N -3.65 0.07 0.13 2.02 -1.32 -0.65 0.00 115.64 112.24 1is7 s THR 8 Ca 0.03 -1.64 0.06 0.00 -1.21 0.00 0.00 61.69 58.93 1is7 s THR 8 Cb -0.01 -1.99 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 1is7 s THR 8 CO -0.11 -0.33 -0.14 -1.10 -2.21 0.00 0.00 174.62 170.74 1is7 s GLN 9 N -4.02 1.06 0.00 7.08 -0.21 -1.26 -0.88 119.66 121.43 1is7 s GLN 9 Ca 0.22 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.32 1is7 s GLN 9 Cb 0.05 -0.93 0.00 0.00 1.00 0.00 0.00 33.01 33.13 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 0.43 0.00 -4.05 1.08 5.41 -0.61 -4.64 119.36 116.97 1is7 n ILE 10 Ca -0.15 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.47 1is7 n ILE 10 Cb 0.57 0.00 -0.13 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 0.33 0.12 0.38 1.81 -1.26 -5.06 118.95 115.27 1is7 s ARG 11 Ca 0.00 -0.28 0.19 0.00 -1.72 0.00 0.00 55.73 53.92 1is7 s ARG 11 Cb 0.00 -0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.18 1is7 s ARG 11 CO 0.00 0.06 0.93 0.00 -0.68 0.00 0.00 175.30 175.61 1is7 h MET 12 N 5.65 0.00 0.00 3.54 -0.00 -1.96 -3.36 114.93 118.81 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 0.48 0.19 0.00 -0.85 -0.00 0.00 0.00 176.91 176.73 1is7 n GLU 13 N -2.83 0.96 -3.67 -0.10 0.00 -1.26 -4.16 120.64 109.57 1is7 n GLU 13 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.98 1is7 n GLU 13 Cb 0.74 -1.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.11 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 -4.86 120.40 116.30 1is7 s VAL 14 Ca 0.00 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1is7 s VAL 14 Cb 0.00 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1is7 s VAL 14 CO 0.00 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 1is7 n GLY 15 N 0.44 0.01 3.71 6.54 0.00 -1.26 -4.68 105.19 109.96 1is7 n GLY 15 Ca -0.18 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.48 1.16 -0.09 1.61 0.04 -1.26 -4.98 135.00 131.00 1is7 s PRO 16 Ca 0.00 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1is7 s PRO 16 Cb 0.00 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1is7 s PRO 16 CO 0.00 -2.31 -0.17 0.99 0.04 0.00 0.00 177.00 175.55 1is7 s THR 17 N -2.91 1.58 -0.11 1.26 2.01 0.12 -4.51 115.64 113.07 1is7 s THR 17 Ca 0.64 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 1is7 s THR 17 Cb -0.18 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1is7 s THR 17 CO 0.57 0.46 0.94 -0.04 -0.69 0.00 0.00 174.62 175.85 1is7 s MET 18 N 0.69 4.41 0.00 4.92 -1.94 0.10 -1.09 119.30 126.38 1is7 s MET 18 Ca -0.13 1.26 0.02 0.00 -1.71 0.00 0.00 55.69 55.13 1is7 s MET 18 Cb -0.16 -3.53 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1is7 s MET 18 CO 0.03 -0.26 0.37 1.33 -0.01 0.00 0.00 175.02 176.49 1is7 n VAL 19 N 4.46 0.00 -3.61 -6.03 0.24 0.33 -1.53 118.33 112.20 1is7 n VAL 19 Ca 0.07 -0.48 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1is7 n VAL 19 Cb 0.49 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.58 -0.33 0.25 7.63 0.00 -0.97 -4.80 107.32 108.52 1is7 s GLY 20 Ca 0.02 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.08 1is7 s GLY 20 CO 0.05 0.39 0.20 2.09 0.00 0.00 0.00 173.10 175.82 1is7 n ASP 21 N -0.24 1.75 -0.01 1.64 5.75 -1.26 0.59 116.55 124.77 1is7 n ASP 21 Ca -0.02 -1.86 0.10 0.00 -0.01 0.00 0.00 54.79 53.00 1is7 n ASP 21 Cb 0.60 -0.03 0.51 0.00 -1.03 0.00 0.00 41.12 41.17 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 0.35 -1.00 0.11 4.81 -1.94 -2.39 114.58 114.52 1is7 h GLU 22 Ca -0.16 -0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.56 1is7 h GLU 22 Cb 0.58 -0.08 -0.29 0.00 0.63 0.00 0.00 28.75 29.60 1is7 h GLU 22 CO 0.25 0.23 0.62 0.72 -0.73 0.00 0.00 179.01 180.10 1is7 n HIS 23 N -4.47 2.86 -2.52 0.92 8.25 -1.26 -4.97 115.22 114.03 1is7 n HIS 23 Ca 0.06 -1.80 -0.30 0.00 -0.26 0.00 0.00 57.72 55.43 1is7 n HIS 23 Cb 0.27 -0.92 -0.01 0.00 1.12 0.00 0.00 29.99 30.45 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 -1.15 6.38 -0.13 0.41 0.01 -0.90 -4.98 113.70 113.34 1is7 s SER 24 Ca 0.53 1.18 -0.29 0.00 1.31 0.00 0.00 55.95 58.68 1is7 s SER 24 Cb 0.45 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 1is7 s SER 24 CO 0.10 -0.58 1.83 -0.62 0.41 0.00 0.00 173.24 174.37 1is7 s ASP 25 N -3.69 6.25 0.36 2.44 -1.08 -1.26 -4.87 116.67 114.82 1is7 s ASP 25 Ca 0.52 2.02 0.07 0.00 -0.52 0.00 0.00 52.55 54.64 1is7 s ASP 25 Cb -0.10 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.60 1is7 s ASP 25 CO 0.41 -1.30 1.93 -0.65 0.52 0.00 0.00 175.17 176.07 1is7 h PRO 26 N 11.40 0.71 0.15 4.34 0.11 -1.97 -1.54 132.00 145.21 1is7 h PRO 26 Ca -0.40 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1is7 h PRO 26 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1is7 h PRO 26 CO 0.97 0.47 -0.07 0.93 -0.21 0.00 0.00 178.00 180.08 1is7 h GLU 27 N 0.73 -0.20 -0.60 1.05 5.08 -1.99 -1.03 114.58 117.62 1is7 h GLU 27 Ca 0.36 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1is7 h GLU 27 Cb 0.43 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1is7 h GLU 27 CO -0.14 0.14 0.28 1.25 -1.00 0.00 0.00 179.01 179.54 1is7 h LEU 28 N -0.56 0.35 -0.61 1.33 5.85 -1.90 0.21 115.31 119.98 1is7 h LEU 28 Ca -0.02 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1is7 h LEU 28 Cb 0.43 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1is7 h LEU 28 CO 0.03 0.22 0.37 0.24 -0.34 0.00 0.00 178.44 178.96 1is7 h MET 29 N 0.50 0.70 -0.68 1.25 2.86 -1.21 -1.70 114.93 116.66 1is7 h MET 29 Ca 0.29 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1is7 h MET 29 Cb 0.28 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1is7 h MET 29 CO -0.24 0.46 0.19 0.37 1.06 0.00 0.00 176.91 178.76 1is7 h GLN 30 N 0.72 1.06 -0.22 1.72 4.15 0.11 -1.71 115.11 120.93 1is7 h GLN 30 Ca 0.25 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1is7 h GLN 30 Cb 0.04 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1is7 h GLN 30 CO -0.11 0.91 0.08 1.96 -1.93 0.00 0.00 178.83 179.74 1is7 h GLN 31 N 1.01 0.30 0.00 1.69 4.20 0.19 -1.22 115.11 121.29 1is7 h GLN 31 Ca 0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1is7 h GLN 31 Cb 0.31 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1is7 h GLN 31 CO -0.00 0.27 -0.30 1.28 -0.67 0.00 0.00 178.83 179.40 1is7 n LEU 32 N -4.43 0.41 -0.99 1.46 4.77 -0.72 -4.93 117.00 112.58 1is7 n LEU 32 Ca 0.00 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 1is7 n LEU 32 Cb 0.13 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1is7 n LEU 32 CO 0.36 0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 177.00 1is7 n GLY 33 N 1.45 0.18 3.73 -0.72 0.00 -0.46 -5.00 105.19 104.37 1is7 n GLY 33 Ca 0.06 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.55 3.28 0.49 4.61 0.00 -0.72 -4.87 121.76 122.02 1is7 s ALA 34 Ca 0.05 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1is7 s ALA 34 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1is7 s ALA 34 CO 0.06 -0.04 0.74 -1.12 0.00 0.00 0.00 175.76 175.40 1is7 s SER 35 N -0.16 5.73 0.12 0.00 0.01 0.08 -4.77 113.70 114.71 1is7 s SER 35 Ca 0.47 0.38 0.09 0.00 1.31 0.00 0.00 55.95 58.19 1is7 s SER 35 Cb -0.25 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1is7 s SER 35 CO 0.31 -0.82 -0.21 -0.75 0.41 0.00 0.00 173.24 172.18 1is7 s LYS 36 N -4.68 1.20 -0.04 12.44 2.20 -1.26 -1.10 119.74 128.49 1is7 s LYS 36 Ca 0.50 -1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 54.56 1is7 s LYS 36 Cb -0.10 -1.44 0.11 0.00 -1.51 0.00 0.00 37.83 34.89 1is7 s LYS 36 CO 0.40 0.32 1.11 -0.98 -0.36 0.00 0.00 175.35 175.84 1is7 s ARG 37 N -2.16 0.61 -0.26 4.03 1.70 -0.66 -4.98 118.95 117.22 1is7 s ARG 37 Ca 0.10 -0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 55.07 1is7 s ARG 37 Cb -0.09 0.25 0.08 0.00 -0.57 0.00 0.00 34.95 34.62 1is7 s ARG 37 CO 0.05 -0.27 0.05 0.50 -1.08 0.00 0.00 175.30 174.55 1is7 s ARG 38 N -2.75 0.87 0.30 3.89 3.52 -1.26 -0.00 118.95 123.51 1is7 s ARG 38 Ca 0.10 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 1is7 s ARG 38 Cb 0.00 -2.16 -0.11 0.00 -1.56 0.00 0.00 34.95 31.12 1is7 s ARG 38 CO -0.04 -0.81 1.53 0.08 -0.81 0.00 0.00 175.30 175.25 1is7 s VAL 39 N 1.64 2.24 0.16 7.11 1.01 -1.26 -4.88 120.40 126.41 1is7 s VAL 39 Ca 0.04 0.21 -0.33 0.00 0.00 0.00 0.00 61.98 61.89 1is7 s VAL 39 Cb -0.17 -3.13 -0.16 0.00 0.00 0.00 0.00 36.38 32.91 1is7 s VAL 39 CO -0.16 0.04 1.04 -0.11 0.00 0.00 0.00 175.10 175.90 1is7 n LEU 40 N 1.90 0.87 0.00 3.92 0.00 -1.26 -0.60 117.00 121.84 1is7 n LEU 40 Ca 0.06 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.22 1is7 n LEU 40 Cb 0.39 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.67 1is7 n LEU 40 CO 0.63 -1.66 0.00 0.61 0.00 0.00 0.00 177.39 176.96 1is7 n GLY 41 N 1.89 2.98 3.82 -3.96 0.00 -1.26 -5.02 105.19 103.63 1is7 n GLY 41 Ca 0.16 0.00 -0.36 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 -0.25 7.04 -0.70 1.61 0.02 0.24 -4.97 114.94 117.92 1is7 s ASN 42 Ca 0.00 1.36 -0.02 0.00 -1.02 0.00 0.00 52.86 53.18 1is7 s ASN 42 Cb 0.00 -2.40 0.41 0.00 0.02 0.00 0.00 41.25 39.29 1is7 s ASN 42 CO 0.00 0.08 2.05 -0.46 0.02 0.00 0.00 177.10 178.79 1is7 n ASN 43 N 0.91 7.62 -3.54 -1.22 2.04 -1.26 -4.77 115.26 115.04 1is7 n ASN 43 Ca -0.04 -3.77 -0.11 0.00 -0.44 0.00 0.00 54.58 50.22 1is7 n ASN 43 Cb 0.51 -1.01 -0.04 0.00 -2.53 0.00 0.00 39.78 36.71 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 -3.80 -0.42 0.17 -2.53 -0.12 -1.26 -5.17 117.98 104.85 1is7 s PHE 44 Ca 0.60 0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 58.04 1is7 s PHE 44 Cb 0.48 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 43.31 1is7 s PHE 44 CO -0.12 -0.48 0.36 0.71 -0.05 0.00 0.00 175.22 175.64 1is7 s TYR 45 N -1.92 3.49 0.02 3.49 1.51 -1.26 -4.45 117.35 118.23 1is7 s TYR 45 Ca -0.01 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1is7 s TYR 45 Cb -0.01 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1is7 s TYR 45 CO -0.01 0.43 -0.06 -1.83 -1.11 0.00 0.00 175.55 172.97 1is7 s GLU 46 N -3.12 0.43 -0.20 -0.62 -1.05 1.00 -3.30 118.70 111.82 1is7 s GLU 46 Ca 0.38 -0.52 -0.07 0.00 -0.15 0.00 0.00 54.97 54.61 1is7 s GLU 46 Cb -0.11 -0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.29 1is7 s GLU 46 CO 0.28 0.05 0.06 0.71 0.95 0.00 0.00 175.26 177.32 1is7 s TYR 47 N -0.93 3.19 0.31 4.83 1.51 0.20 -1.66 117.35 124.80 1is7 s TYR 47 Ca -0.07 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 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 -0.01 0.05 1.52 -1.11 0.00 0.00 175.55 176.00 1is7 s TYR 48 N 0.78 1.90 -0.03 2.71 -0.85 -0.26 -0.51 117.35 121.10 1is7 s TYR 48 Ca 0.03 -0.97 -0.09 0.00 -0.52 0.00 0.00 57.07 55.53 1is7 s TYR 48 Cb -0.13 -1.22 0.01 0.00 0.38 0.00 0.00 41.96 41.00 1is7 s TYR 48 CO 0.02 -0.02 0.20 0.08 -1.52 0.00 0.00 175.55 174.31 1is7 s VAL 49 N -3.34 0.05 -1.94 -3.49 1.01 -0.25 -0.74 120.40 111.70 1is7 s VAL 49 Ca 0.36 -0.43 0.31 0.00 0.00 0.00 0.00 61.98 62.22 1is7 s VAL 49 Cb 0.08 -0.43 0.76 0.00 0.00 0.00 0.00 36.38 36.80 1is7 s VAL 49 CO 0.15 -0.24 2.11 0.59 0.00 0.00 0.00 175.10 177.71 1is7 n ASN 50 N 1.89 0.23 -4.87 3.32 4.13 -1.26 0.10 115.26 118.80 1is7 n ASN 50 Ca -0.19 -0.89 -0.30 0.00 1.68 0.00 0.00 54.58 54.87 1is7 n ASN 50 Cb 0.57 -0.05 -0.01 0.00 -1.54 0.00 0.00 39.78 38.74 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 -2.13 6.39 0.44 6.41 1.01 -1.26 -4.13 116.67 123.40 1is7 s ASP 51 Ca 0.42 1.31 -0.23 0.00 0.71 0.00 0.00 52.55 54.76 1is7 s ASP 51 Cb 0.21 -2.41 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 1is7 s ASP 51 CO 0.39 -0.65 1.13 -2.84 0.21 0.00 0.00 175.17 173.41 1is7 s PRO 52 N -4.55 3.89 0.43 8.23 0.02 -1.26 -3.80 135.00 137.96 1is7 s PRO 52 Ca 0.54 1.70 0.23 0.00 0.02 0.00 0.00 61.00 63.49 1is7 s PRO 52 Cb -0.10 -2.45 1.22 0.00 0.02 0.00 0.00 34.50 33.18 1is7 s PRO 52 CO 0.42 -0.43 1.78 -1.00 -0.33 0.00 0.00 177.00 177.44 1is7 h PRO 53 N 2.20 0.28 -0.67 5.54 0.13 -1.84 -0.25 132.00 137.40 1is7 h PRO 53 Ca -0.49 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1is7 h PRO 53 Cb 1.24 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1is7 h PRO 53 CO 0.61 0.19 0.44 -0.09 -0.23 0.00 0.00 178.00 178.91 1is7 h ARG 54 N 0.29 0.88 -0.43 0.86 2.43 -1.91 -0.60 114.38 115.90 1is7 h ARG 54 Ca 0.59 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.69 1is7 h ARG 54 Cb 1.70 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1is7 h ARG 54 CO -0.24 0.58 0.20 0.82 -1.51 0.00 0.00 179.97 179.82 1is7 h ILE 55 N 0.90 1.18 -0.04 1.20 1.08 -1.41 -2.53 117.51 117.89 1is7 h ILE 55 Ca 0.24 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1is7 h ILE 55 Cb -0.10 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1is7 h ILE 55 CO -0.05 0.20 -0.09 0.58 -0.69 0.00 0.00 178.15 178.10 1is7 h VAL 56 N 0.55 1.09 -0.26 1.67 2.07 -1.10 -2.07 116.25 118.20 1is7 h VAL 56 Ca 0.15 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1is7 h VAL 56 Cb 0.14 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1is7 h VAL 56 CO -0.02 0.12 -0.46 -0.07 0.02 0.00 0.00 177.57 177.16 1is7 h LEU 57 N 0.06 0.74 -0.00 2.57 3.38 -0.72 -1.61 115.31 119.72 1is7 h LEU 57 Ca 0.01 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1is7 h LEU 57 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1is7 h LEU 57 CO 0.01 1.09 0.00 0.44 0.09 0.00 0.00 178.44 180.07 1is7 h ASP 58 N 0.54 0.00 -0.70 -0.43 3.32 -1.01 -2.05 116.42 116.10 1is7 h ASP 58 Ca 0.03 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 56.88 1is7 h ASP 58 Cb 1.01 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 1is7 h ASP 58 CO 0.10 0.28 0.37 0.11 -1.72 0.00 0.00 179.24 178.37 1is7 h LYS 59 N -0.27 0.63 0.00 3.56 1.57 -1.41 -1.36 116.57 119.29 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 0.28 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1is7 h LYS 59 CO 0.00 0.42 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.12 1is7 h LEU 60 N 0.65 0.00 -0.42 2.94 4.07 -1.14 -1.96 115.31 119.44 1is7 h LEU 60 Ca 0.33 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.11 1is7 h LEU 60 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1is7 h LEU 60 CO -0.23 0.11 -0.70 -0.08 -1.08 0.00 0.00 178.44 176.46 1is7 h GLU 61 N 0.00 0.43 -0.12 1.13 4.81 -0.51 -1.53 114.58 118.78 1is7 h GLU 61 Ca -0.00 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1is7 h GLU 61 Cb 0.22 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1is7 h GLU 61 CO 0.01 0.97 0.06 0.00 -0.73 0.00 0.00 179.01 179.32 1is7 n ARG 63 N -4.50 2.06 -0.48 0.00 3.00 -1.09 -4.92 116.66 110.73 1is7 n ARG 63 Ca -0.01 -1.37 0.00 0.00 -0.01 0.00 0.00 57.85 56.46 1is7 n ARG 63 Cb 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.16 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 0.93 0.75 3.90 -0.13 0.00 0.20 -5.06 105.19 105.79 1is7 n GLY 64 Ca 0.13 -0.06 -0.33 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 3.53 0.06 1.61 0.40 -0.59 -4.43 117.98 116.55 1is7 s PHE 65 Ca 0.00 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.86 1is7 s PHE 65 Cb 0.00 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1is7 s PHE 65 CO 0.00 0.56 -0.18 0.50 0.70 0.00 0.00 175.22 176.80 1is7 s ARG 66 N -2.20 1.14 -0.16 0.44 3.52 -0.16 -3.94 118.95 117.60 1is7 s ARG 66 Ca 0.33 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 1is7 s ARG 66 Cb -0.13 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 32.00 1is7 s ARG 66 CO 0.21 0.31 1.29 0.08 -0.81 0.00 0.00 175.30 176.38 1is7 s VAL 67 N -0.94 4.22 -0.20 7.11 1.01 -1.26 -0.82 120.40 129.53 1is7 s VAL 67 Ca 0.05 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1is7 s VAL 67 Cb -0.09 -3.96 -0.21 0.00 0.00 0.00 0.00 36.38 32.13 1is7 s VAL 67 CO 0.02 -0.13 0.02 0.18 0.00 0.00 0.00 175.10 175.19 1is7 n LEU 68 N 6.63 2.75 -3.66 3.92 4.77 0.21 -4.95 117.00 126.68 1is7 n LEU 68 Ca 0.14 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1is7 n LEU 68 Cb 0.45 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1is7 n LEU 68 CO 0.56 0.89 0.20 -0.55 -1.33 0.00 0.00 177.39 177.16 1is7 s SER 69 N -6.69 -0.39 -0.03 -1.43 0.15 -1.09 -5.01 113.70 99.21 1is7 s SER 69 Ca -0.29 0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.75 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 0.67 -0.51 -0.08 -0.32 1.20 0.00 0.00 173.24 174.20 1is7 s MET 70 N -1.25 0.95 0.07 5.44 1.75 -1.26 0.09 119.30 125.09 1is7 s MET 70 Ca -0.12 -0.26 -0.11 0.00 -1.25 0.00 0.00 55.69 53.94 1is7 s MET 70 Cb -0.03 -0.89 0.01 0.00 2.84 0.00 0.00 34.83 36.76 1is7 s MET 70 CO 0.07 0.07 0.26 -0.08 -0.65 0.00 0.00 175.02 174.68 1is7 s THR 71 N 0.36 0.11 0.14 10.11 -1.32 0.24 -5.00 115.64 120.29 1is7 s THR 71 Ca -0.05 -0.89 0.04 0.00 -1.21 0.00 0.00 61.69 59.58 1is7 s THR 71 Cb -0.10 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1is7 s THR 71 CO 0.01 -0.49 0.17 -0.83 -2.21 0.00 0.00 174.62 171.26 1is7 s GLY 72 N -2.46 1.78 -0.30 6.08 0.00 -1.26 -0.21 107.32 110.94 1is7 s GLY 72 Ca -0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 1is7 s GLY 72 CO -0.07 -1.12 0.72 0.54 0.00 0.00 0.00 173.10 173.17 1is7 s VAL 73 N -1.69 -0.88 0.00 1.40 0.11 -0.36 -4.96 120.40 114.03 1is7 s VAL 73 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 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 0.25 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1is7 n GLY 74 N 5.35 3.30 1.19 6.54 0.00 -1.26 -0.63 105.19 119.68 1is7 n GLY 74 Ca -0.10 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 13.69 2.86 -4.49 1.61 1.13 -1.26 -4.96 117.38 125.97 1is7 n GLN 75 Ca 0.00 -2.98 -0.34 0.00 -1.94 0.00 0.00 57.00 51.75 1is7 n GLN 75 Cb 0.00 -1.92 -0.14 0.00 0.11 0.00 0.00 30.24 28.29 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 -2.96 3.25 -0.24 5.09 2.01 0.20 -1.58 115.64 121.40 1is7 s THR 76 Ca 0.46 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 1is7 s THR 76 Cb 0.38 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1is7 s THR 76 CO 0.08 0.50 0.20 -0.22 -0.69 0.00 0.00 174.62 174.48 1is7 s LEU 77 N 0.63 4.10 -0.07 4.42 2.96 -0.06 -1.22 118.68 129.44 1is7 s LEU 77 Ca -0.05 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1is7 s LEU 77 Cb -0.15 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1is7 s LEU 77 CO 0.03 0.02 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.16 1is7 s VAL 78 N 1.24 1.95 -0.13 1.68 1.01 0.70 -1.64 120.40 125.22 1is7 s VAL 78 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1is7 s VAL 78 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1is7 s VAL 78 CO 0.06 0.54 -0.11 0.26 0.00 0.00 0.00 175.10 175.85 1is7 s TRP 79 N 0.11 2.85 -0.33 5.22 0.51 -0.22 -0.59 118.94 126.49 1is7 s TRP 79 Ca -0.11 -0.50 -0.08 0.00 -2.12 0.00 0.00 56.10 53.29 1is7 s TRP 79 Cb -0.15 -1.84 0.02 0.00 -0.81 0.00 0.00 33.47 30.68 1is7 s TRP 79 CO 0.06 -0.12 0.13 0.00 -0.51 0.00 0.00 176.95 176.51 1is7 s LEU 81 N 1.51 3.36 -0.03 0.00 1.02 0.41 -0.61 118.68 124.34 1is7 s LEU 81 Ca 0.02 -0.25 0.04 0.00 0.02 0.00 0.00 54.13 53.96 1is7 s LEU 81 Cb -0.18 -2.09 -0.00 0.00 0.02 0.00 0.00 46.19 43.93 1is7 s LEU 81 CO 0.04 0.16 -0.14 -2.28 0.02 0.00 0.00 176.35 174.16 1is7 s HIS 82 N -1.35 1.34 0.00 0.29 2.46 0.00 -0.67 115.29 117.35 1is7 s HIS 82 Ca 0.25 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1is7 s HIS 82 Cb -0.11 -0.91 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1is7 s HIS 82 CO 0.17 -0.11 0.00 1.17 -2.47 0.00 0.00 174.74 173.51 1is7 n LYS 83 N 3.10 0.00 0.00 2.88 4.81 0.11 -0.98 118.16 128.08 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 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1is7 n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66