#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 -5.87 0.03 0.13 -1.96 -3.46 132.00 120.87 1is7 h PRO 2 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1is7 h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1is7 h PRO 2 CO 0.00 0.75 -0.54 0.71 -0.23 0.00 0.00 178.00 178.69 1is7 s TYR 3 N -3.00 3.41 0.02 1.56 1.51 -1.26 -0.31 117.35 119.28 1is7 s TYR 3 Ca 0.01 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1is7 s TYR 3 Cb 0.10 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1is7 s TYR 3 CO 0.78 0.61 -0.05 -1.17 -1.11 0.00 0.00 175.55 174.60 1is7 s LEU 4 N -1.53 2.18 -0.06 -1.29 2.96 0.02 -5.00 118.68 115.95 1is7 s LEU 4 Ca 0.21 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1is7 s LEU 4 Cb -0.12 -0.11 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1is7 s LEU 4 CO 0.12 -0.15 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.11 1is7 s LEU 5 N -1.10 1.66 0.14 -0.68 1.43 -1.26 -0.56 118.68 118.31 1is7 s LEU 5 Ca -0.08 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1is7 s LEU 5 Cb -0.07 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1is7 s LEU 5 CO -0.00 0.04 -0.10 0.27 0.23 0.00 0.00 176.35 176.79 1is7 s ILE 6 N 0.60 1.18 0.17 -0.59 -4.36 -0.75 -4.41 121.20 113.05 1is7 s ILE 6 Ca -0.13 -2.03 -0.23 0.00 -0.26 0.00 0.00 60.65 58.00 1is7 s ILE 6 Cb -0.15 -1.81 0.06 0.00 1.25 0.00 0.00 42.46 41.81 1is7 s ILE 6 CO 0.03 -0.72 0.68 -0.94 0.24 0.00 0.00 174.94 174.24 1is7 s SER 7 N -3.10 -0.46 0.16 4.36 1.04 -0.62 -0.87 113.70 114.20 1is7 s SER 7 Ca 0.16 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1is7 s SER 7 Cb 0.02 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1is7 s SER 7 CO 0.01 -1.01 0.19 0.28 0.98 0.00 0.00 173.24 173.69 1is7 s THR 8 N -3.69 0.07 0.14 2.02 -1.32 -0.52 -0.08 115.64 112.26 1is7 s THR 8 Ca 0.04 -1.64 0.07 0.00 -1.21 0.00 0.00 61.69 58.96 1is7 s THR 8 Cb -0.02 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1is7 s THR 8 CO -0.07 -0.34 -0.16 -1.10 -2.21 0.00 0.00 174.62 170.74 1is7 s GLN 9 N -4.01 1.12 0.00 7.08 -0.21 -1.26 -0.80 119.66 121.58 1is7 s GLN 9 Ca 0.21 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.30 1is7 s GLN 9 Cb 0.05 -1.11 0.00 0.00 1.00 0.00 0.00 33.01 32.95 1is7 s GLN 9 CO 0.02 0.22 0.00 -0.89 -2.12 0.00 0.00 175.29 172.52 1is7 n ILE 10 N 0.51 0.00 -4.04 1.08 5.41 -0.75 -4.64 119.36 116.93 1is7 n ILE 10 Ca -0.15 0.00 -0.13 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 0.34 0.10 0.38 1.81 -1.26 -5.06 118.95 115.26 1is7 s ARG 11 Ca 0.00 -0.38 0.19 0.00 -1.72 0.00 0.00 55.73 53.82 1is7 s ARG 11 Cb 0.00 -0.20 -0.10 0.00 -0.45 0.00 0.00 34.95 34.20 1is7 s ARG 11 CO 0.00 0.04 0.86 0.00 -0.68 0.00 0.00 175.30 175.52 1is7 n MET 12 N 2.32 0.62 0.00 3.54 0.00 -1.26 -4.17 117.12 118.17 1is7 n MET 12 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1is7 n MET 12 Cb 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 32.00 1is7 n MET 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1is7 n GLU 13 N -2.79 0.97 -3.66 3.17 0.00 -1.26 -4.15 120.64 112.92 1is7 n GLU 13 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.96 1is7 n GLU 13 Cb 0.74 -1.02 -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 -1.97 0.05 0.00 3.84 0.11 -1.26 -4.86 120.40 116.32 1is7 s VAL 14 Ca 0.00 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1is7 s VAL 14 Cb 0.00 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1is7 s VAL 14 CO 0.00 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1is7 n GLY 15 N 0.51 0.23 3.69 6.54 0.00 -1.26 -4.65 105.19 110.26 1is7 n GLY 15 Ca -0.19 -1.82 -0.30 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 -0.20 1.16 -0.09 1.61 0.04 -1.26 -4.97 135.00 131.28 1is7 s PRO 16 Ca 0.00 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1is7 s PRO 16 Cb 0.00 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1is7 s PRO 16 CO 0.00 -2.37 -0.19 0.99 0.04 0.00 0.00 177.00 175.47 1is7 s THR 17 N -2.82 1.68 -0.05 1.26 2.01 0.39 -4.49 115.64 113.63 1is7 s THR 17 Ca 0.64 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1is7 s THR 17 Cb -0.19 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1is7 s THR 17 CO 0.58 0.48 0.82 -0.04 -0.69 0.00 0.00 174.62 175.76 1is7 s MET 18 N 0.54 4.47 0.00 4.92 -1.94 0.88 -1.21 119.30 126.96 1is7 s MET 18 Ca -0.16 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 1is7 s MET 18 Cb -0.17 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1is7 s MET 18 CO 0.06 -0.02 0.24 1.33 -0.01 0.00 0.00 175.02 176.62 1is7 n VAL 19 N 3.93 0.00 -3.61 -6.03 0.24 0.45 -1.59 118.33 111.71 1is7 n VAL 19 Ca 0.02 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 1is7 n VAL 19 Cb 0.51 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.45 -0.35 0.21 7.63 0.00 -0.98 -4.79 107.32 108.58 1is7 s GLY 20 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.71 1is7 s GLY 20 CO 0.00 0.29 0.12 2.09 0.00 0.00 0.00 173.10 175.60 1is7 n ASP 21 N -0.30 1.86 0.18 1.64 5.75 -1.26 0.21 116.55 124.62 1is7 n ASP 21 Ca -0.05 -1.75 0.11 0.00 -0.01 0.00 0.00 54.79 53.09 1is7 n ASP 21 Cb 0.61 0.02 0.64 0.00 -1.03 0.00 0.00 41.12 41.36 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 0.03 -0.95 0.11 4.81 -1.94 -2.37 114.58 114.27 1is7 h GLU 22 Ca -0.14 -0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.56 1is7 h GLU 22 Cb 0.49 -0.01 -0.29 0.00 0.63 0.00 0.00 28.75 29.57 1is7 h GLU 22 CO 0.22 0.02 0.64 0.72 -0.73 0.00 0.00 179.01 179.88 1is7 n HIS 23 N -4.50 2.97 -2.76 0.92 8.25 -1.26 -4.98 115.22 113.86 1is7 n HIS 23 Ca 0.01 -2.09 -0.29 0.00 -0.26 0.00 0.00 57.72 55.09 1is7 n HIS 23 Cb 0.22 -1.02 -0.02 0.00 1.12 0.00 0.00 29.99 30.29 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 -1.53 6.40 -0.13 0.41 0.01 -0.89 -4.99 113.70 112.97 1is7 s SER 24 Ca 0.58 1.03 -0.29 0.00 1.31 0.00 0.00 55.95 58.58 1is7 s SER 24 Cb 0.48 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 1is7 s SER 24 CO 0.08 -0.48 1.87 -0.62 0.41 0.00 0.00 173.24 174.50 1is7 s ASP 25 N -3.59 6.19 0.38 2.44 -1.08 -1.26 -4.87 116.67 114.87 1is7 s ASP 25 Ca 0.49 2.04 0.09 0.00 -0.52 0.00 0.00 52.55 54.65 1is7 s ASP 25 Cb -0.10 -2.53 0.83 0.00 -1.46 0.00 0.00 42.92 39.66 1is7 s ASP 25 CO 0.38 -1.35 1.93 -0.65 0.52 0.00 0.00 175.17 176.00 1is7 h PRO 26 N 11.69 0.64 0.08 4.34 0.11 -1.97 -1.56 132.00 145.32 1is7 h PRO 26 Ca -0.41 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1is7 h PRO 26 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1is7 h PRO 26 CO 0.97 0.42 -0.04 0.93 -0.21 0.00 0.00 178.00 180.08 1is7 h GLU 27 N 0.66 -0.10 -0.54 1.05 5.08 -1.99 -1.49 114.58 117.24 1is7 h GLU 27 Ca 0.35 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1is7 h GLU 27 Cb 0.50 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1is7 h GLU 27 CO -0.13 0.26 0.27 1.25 -1.00 0.00 0.00 179.01 179.66 1is7 h LEU 28 N -0.48 0.39 -0.60 1.33 5.85 -1.89 0.15 115.31 120.06 1is7 h LEU 28 Ca -0.01 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1is7 h LEU 28 Cb 0.41 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1is7 h LEU 28 CO 0.02 0.27 0.33 0.24 -0.34 0.00 0.00 178.44 178.95 1is7 h MET 29 N 0.53 0.61 -0.66 1.25 2.86 -1.25 -1.23 114.93 117.03 1is7 h MET 29 Ca 0.24 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1is7 h MET 29 Cb 0.16 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1is7 h MET 29 CO -0.17 0.40 0.17 0.37 1.06 0.00 0.00 176.91 178.75 1is7 h GLN 30 N 0.62 1.05 -0.64 1.72 4.15 -0.34 -1.16 115.11 120.52 1is7 h GLN 30 Ca 0.27 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.48 1is7 h GLN 30 Cb 0.15 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1is7 h GLN 30 CO -0.16 0.93 0.42 1.96 -1.93 0.00 0.00 178.83 180.05 1is7 h GLN 31 N 0.98 0.69 -0.00 1.69 4.20 0.18 -0.37 115.11 122.48 1is7 h GLN 31 Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1is7 h GLN 31 Cb 0.35 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1is7 h GLN 31 CO -0.00 0.46 -0.19 1.28 -0.67 0.00 0.00 178.83 179.71 1is7 n LEU 32 N -4.47 0.21 -1.13 1.46 4.77 -0.55 -4.92 117.00 112.38 1is7 n LEU 32 Ca 0.08 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 1is7 n LEU 32 Cb 0.17 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1is7 n LEU 32 CO 0.34 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 1is7 n GLY 33 N 1.48 0.22 3.75 -0.72 0.00 -0.15 -4.99 105.19 104.78 1is7 n GLY 33 Ca 0.07 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.67 3.33 0.45 4.61 0.00 -0.51 -4.84 121.76 122.13 1is7 s ALA 34 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1is7 s ALA 34 Cb -0.04 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1is7 s ALA 34 CO 0.10 0.12 0.67 -1.12 0.00 0.00 0.00 175.76 175.53 1is7 s SER 35 N -0.54 5.84 0.08 0.00 0.01 0.10 -4.75 113.70 114.44 1is7 s SER 35 Ca 0.42 0.30 0.09 0.00 1.31 0.00 0.00 55.95 58.06 1is7 s SER 35 Cb -0.23 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1is7 s SER 35 CO 0.28 -0.70 -0.23 -0.75 0.41 0.00 0.00 173.24 172.26 1is7 s LYS 36 N -4.56 1.37 0.06 12.44 2.20 -1.26 -1.09 119.74 128.91 1is7 s LYS 36 Ca 0.48 -1.12 -0.27 0.00 -0.36 0.00 0.00 55.97 54.70 1is7 s LYS 36 Cb -0.10 -1.62 0.09 0.00 -1.51 0.00 0.00 37.83 34.69 1is7 s LYS 36 CO 0.38 0.40 0.95 -0.98 -0.36 0.00 0.00 175.35 175.73 1is7 s ARG 37 N -1.59 0.96 -0.27 4.03 1.70 -0.56 -4.98 118.95 118.24 1is7 s ARG 37 Ca 0.09 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 1is7 s ARG 37 Cb -0.10 0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1is7 s ARG 37 CO 0.03 -0.43 0.06 0.50 -1.08 0.00 0.00 175.30 174.39 1is7 s ARG 38 N -3.15 0.80 0.28 3.89 3.52 -1.26 -0.26 118.95 122.78 1is7 s ARG 38 Ca 0.09 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1is7 s ARG 38 Cb -0.01 -2.10 -0.11 0.00 -1.56 0.00 0.00 34.95 31.17 1is7 s ARG 38 CO -0.04 -0.84 1.60 0.08 -0.81 0.00 0.00 175.30 175.29 1is7 s VAL 39 N 1.66 2.10 0.13 7.11 1.01 -1.26 -4.87 120.40 126.28 1is7 s VAL 39 Ca 0.05 0.09 -0.34 0.00 0.00 0.00 0.00 61.98 61.77 1is7 s VAL 39 Cb -0.17 -3.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.99 1is7 s VAL 39 CO -0.18 0.01 1.17 -0.11 0.00 0.00 0.00 175.10 175.99 1is7 n LEU 40 N 2.37 1.29 0.00 3.92 0.00 -1.26 -0.68 117.00 122.64 1is7 n LEU 40 Ca 0.09 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.24 1is7 n LEU 40 Cb 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1is7 n LEU 40 CO 0.63 -1.37 0.00 0.61 0.00 0.00 0.00 177.39 177.27 1is7 n GLY 41 N 2.10 3.02 3.85 -3.96 0.00 -1.26 -5.03 105.19 103.91 1is7 n GLY 41 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 0.13 6.77 -0.68 1.61 0.02 0.14 -4.99 114.94 117.94 1is7 s ASN 42 Ca 0.00 1.15 -0.01 0.00 -1.02 0.00 0.00 52.86 52.98 1is7 s ASN 42 Cb 0.00 -2.32 0.41 0.00 0.02 0.00 0.00 41.25 39.36 1is7 s ASN 42 CO 0.00 -0.08 1.88 -0.46 0.02 0.00 0.00 177.10 178.46 1is7 n ASN 43 N 0.03 7.15 -3.55 -1.22 2.04 -1.26 -4.79 115.26 113.65 1is7 n ASN 43 Ca 0.00 -3.80 -0.10 0.00 -0.44 0.00 0.00 54.58 50.24 1is7 n ASN 43 Cb 0.52 -0.91 -0.04 0.00 -2.53 0.00 0.00 39.78 36.82 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 -3.88 -0.37 0.14 -2.53 -0.12 -1.26 -5.17 117.98 104.79 1is7 s PHE 44 Ca 0.57 0.54 -0.01 0.00 -0.05 0.00 0.00 56.93 57.97 1is7 s PHE 44 Cb 0.47 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 43.28 1is7 s PHE 44 CO -0.18 -0.41 0.32 0.71 -0.05 0.00 0.00 175.22 175.62 1is7 s TYR 45 N -1.69 3.49 0.03 3.49 1.51 -1.26 -4.45 117.35 118.46 1is7 s TYR 45 Ca -0.00 0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1is7 s TYR 45 Cb -0.01 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1is7 s TYR 45 CO -0.01 0.47 -0.08 -1.83 -1.11 0.00 0.00 175.55 172.99 1is7 s GLU 46 N -2.87 0.54 -0.21 -0.62 -1.05 0.64 -3.22 118.70 111.91 1is7 s GLU 46 Ca 0.38 -0.60 -0.08 0.00 -0.15 0.00 0.00 54.97 54.52 1is7 s GLU 46 Cb -0.12 -0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.13 1is7 s GLU 46 CO 0.27 0.09 0.07 0.71 0.95 0.00 0.00 175.26 177.35 1is7 s TYR 47 N -0.97 3.17 0.31 4.83 1.51 0.13 -1.50 117.35 124.84 1is7 s TYR 47 Ca -0.05 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1is7 s TYR 47 Cb -0.08 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.56 1is7 s TYR 47 CO 0.00 -0.07 0.03 1.52 -1.11 0.00 0.00 175.55 175.93 1is7 s TYR 48 N 0.95 1.93 -0.02 2.71 -0.85 -0.25 -0.41 117.35 121.41 1is7 s TYR 48 Ca 0.04 -0.91 -0.08 0.00 -0.52 0.00 0.00 57.07 55.60 1is7 s TYR 48 Cb -0.14 -1.22 0.01 0.00 0.38 0.00 0.00 41.96 40.99 1is7 s TYR 48 CO 0.03 0.05 0.17 0.08 -1.52 0.00 0.00 175.55 174.36 1is7 s VAL 49 N -3.26 0.06 -2.15 -3.49 1.01 -0.35 -0.72 120.40 111.49 1is7 s VAL 49 Ca 0.34 -0.48 0.31 0.00 0.00 0.00 0.00 61.98 62.15 1is7 s VAL 49 Cb 0.08 -0.40 0.79 0.00 0.00 0.00 0.00 36.38 36.85 1is7 s VAL 49 CO 0.14 -0.26 2.07 0.59 0.00 0.00 0.00 175.10 177.64 1is7 n ASN 50 N 1.85 0.47 -4.87 3.32 4.13 -1.26 -0.46 115.26 118.44 1is7 n ASN 50 Ca -0.20 -1.16 -0.30 0.00 1.68 0.00 0.00 54.58 54.60 1is7 n ASN 50 Cb 0.56 -0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.79 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 -1.99 6.37 0.46 6.41 1.01 -1.26 -4.11 116.67 123.56 1is7 s ASP 51 Ca 0.45 1.30 -0.22 0.00 0.71 0.00 0.00 52.55 54.78 1is7 s ASP 51 Cb 0.22 -2.41 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 1is7 s ASP 51 CO 0.36 -0.66 1.11 -2.84 0.21 0.00 0.00 175.17 173.35 1is7 s PRO 52 N -4.61 3.80 0.43 8.23 0.02 -1.26 -3.83 135.00 137.77 1is7 s PRO 52 Ca 0.54 1.62 0.23 0.00 0.02 0.00 0.00 61.00 63.40 1is7 s PRO 52 Cb -0.10 -2.32 1.21 0.00 0.02 0.00 0.00 34.50 33.30 1is7 s PRO 52 CO 0.43 -0.48 1.77 -1.00 -0.33 0.00 0.00 177.00 177.39 1is7 h PRO 53 N 1.94 0.29 -0.88 5.54 0.13 -1.83 -0.12 132.00 137.07 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 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1is7 h PRO 53 CO 0.60 0.19 0.55 -0.09 -0.23 0.00 0.00 178.00 179.02 1is7 h ARG 54 N 0.30 1.18 -0.33 0.86 2.43 -1.91 -0.41 114.38 116.49 1is7 h ARG 54 Ca 0.60 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.60 1is7 h ARG 54 Cb 1.70 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1is7 h ARG 54 CO -0.25 0.81 -0.10 0.82 -1.51 0.00 0.00 179.97 179.74 1is7 h ILE 55 N 1.21 1.28 -0.02 1.20 1.08 -1.39 -2.76 117.51 118.11 1is7 h ILE 55 Ca 0.32 -1.17 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1is7 h ILE 55 Cb -0.09 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1is7 h ILE 55 CO -0.06 0.38 -0.19 0.58 -0.69 0.00 0.00 178.15 178.17 1is7 h VAL 56 N 0.43 1.15 -0.24 1.67 2.07 -1.10 -2.40 116.25 117.83 1is7 h VAL 56 Ca 0.08 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 1is7 h VAL 56 Cb 0.61 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1is7 h VAL 56 CO 0.04 0.20 -0.41 -0.07 0.02 0.00 0.00 177.57 177.34 1is7 h LEU 57 N 0.03 0.62 -0.09 2.57 3.38 -0.86 -1.51 115.31 119.44 1is7 h LEU 57 Ca 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1is7 h LEU 57 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1is7 h LEU 57 CO 0.02 0.96 -0.03 0.44 0.09 0.00 0.00 178.44 179.92 1is7 h ASP 58 N 0.47 0.18 -0.72 -0.43 3.32 -1.18 -2.01 116.42 116.05 1is7 h ASP 58 Ca 0.04 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.77 1is7 h ASP 58 Cb 0.92 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 1is7 h ASP 58 CO 0.08 0.52 0.42 0.11 -1.72 0.00 0.00 179.24 178.65 1is7 h LYS 59 N -0.15 0.76 -0.03 3.56 1.57 -1.43 -1.52 116.57 119.34 1is7 h LYS 59 Ca 0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1is7 h LYS 59 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1is7 h LYS 59 CO 0.01 0.50 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.17 1is7 h LEU 60 N 0.78 0.04 -0.71 2.94 4.07 -1.16 -2.23 115.31 119.04 1is7 h LEU 60 Ca 0.32 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 58.14 1is7 h LEU 60 Cb 0.16 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1is7 h LEU 60 CO -0.17 0.20 -0.46 -0.08 -1.08 0.00 0.00 178.44 176.85 1is7 h GLU 61 N 0.04 0.43 -0.05 1.13 4.81 -0.51 -1.60 114.58 118.83 1is7 h GLU 61 Ca 0.01 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1is7 h GLU 61 Cb 0.30 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1is7 h GLU 61 CO 0.02 0.80 -0.11 0.00 -0.73 0.00 0.00 179.01 179.00 1is7 n ARG 63 N -4.37 2.04 -0.40 0.00 3.00 -1.02 -4.92 116.66 110.99 1is7 n ARG 63 Ca -0.02 -1.34 0.00 0.00 -0.01 0.00 0.00 57.85 56.48 1is7 n ARG 63 Cb 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.27 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 3.91 -0.13 0.00 -0.39 -5.06 105.19 105.23 1is7 n GLY 64 Ca 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 3.49 0.02 1.61 0.40 -0.63 -4.44 117.98 116.42 1is7 s PHE 65 Ca 0.00 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.77 1is7 s PHE 65 Cb 0.00 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1is7 s PHE 65 CO 0.00 0.49 -0.11 0.50 0.70 0.00 0.00 175.22 176.80 1is7 s ARG 66 N -2.67 0.82 -0.08 0.44 3.52 -0.11 -4.01 118.95 116.86 1is7 s ARG 66 Ca 0.38 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1is7 s ARG 66 Cb -0.12 -0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 1is7 s ARG 66 CO 0.26 0.20 1.42 0.08 -0.81 0.00 0.00 175.30 176.46 1is7 s VAL 67 N -0.60 3.90 -0.21 7.11 1.01 -1.26 -0.87 120.40 129.48 1is7 s VAL 67 Ca 0.01 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.16 1is7 s VAL 67 Cb -0.06 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.37 1is7 s VAL 67 CO 0.00 -0.07 -0.01 0.18 0.00 0.00 0.00 175.10 175.20 1is7 n LEU 68 N 6.40 2.58 -3.61 3.92 4.77 0.46 -4.94 117.00 126.57 1is7 n LEU 68 Ca 0.15 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1is7 n LEU 68 Cb 0.44 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1is7 n LEU 68 CO 0.59 0.86 0.26 -0.55 -1.33 0.00 0.00 177.39 177.21 1is7 s SER 69 N -6.57 -0.43 -0.02 -1.43 0.15 -1.10 -5.01 113.70 99.28 1is7 s SER 69 Ca -0.28 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1is7 s SER 69 Cb 0.08 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1is7 s SER 69 CO 0.67 -0.61 -0.06 -0.32 1.20 0.00 0.00 173.24 174.12 1is7 s MET 70 N -1.77 0.68 0.07 5.44 1.75 -1.26 -0.41 119.30 123.80 1is7 s MET 70 Ca -0.09 -0.18 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 1is7 s MET 70 Cb -0.02 -0.67 0.02 0.00 2.84 0.00 0.00 34.83 37.00 1is7 s MET 70 CO 0.03 0.04 0.31 -0.08 -0.65 0.00 0.00 175.02 174.68 1is7 s THR 71 N 0.33 0.09 0.09 10.11 -1.32 0.19 -4.99 115.64 120.14 1is7 s THR 71 Ca -0.04 -0.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 1is7 s THR 71 Cb -0.08 -1.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1is7 s THR 71 CO -0.00 -0.41 0.08 -0.83 -2.21 0.00 0.00 174.62 171.25 1is7 s GLY 72 N -2.37 1.98 -0.29 6.08 0.00 -1.26 -0.28 107.32 111.19 1is7 s GLY 72 Ca -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1is7 s GLY 72 CO -0.07 -1.02 0.60 0.54 0.00 0.00 0.00 173.10 173.15 1is7 s VAL 73 N -1.42 -0.94 0.00 1.40 0.11 -0.31 -4.98 120.40 114.26 1is7 s VAL 73 Ca 0.29 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1is7 s VAL 73 Cb -0.12 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1is7 s VAL 73 CO 0.22 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 1is7 n GLY 74 N 5.44 3.26 1.20 6.54 0.00 -1.26 -0.56 105.19 119.81 1is7 n GLY 74 Ca -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 13.61 2.74 -4.51 1.61 1.13 -1.26 -4.96 117.38 125.74 1is7 n GLN 75 Ca 0.00 -2.99 -0.33 0.00 -1.94 0.00 0.00 57.00 51.73 1is7 n GLN 75 Cb 0.00 -1.91 -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 -2.99 3.01 -0.23 5.09 2.01 0.27 -1.81 115.64 120.99 1is7 s THR 76 Ca 0.46 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1is7 s THR 76 Cb 0.38 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1is7 s THR 76 CO 0.07 0.50 0.24 -0.22 -0.69 0.00 0.00 174.62 174.53 1is7 s LEU 77 N 0.71 4.12 -0.06 4.42 2.96 0.02 -1.16 118.68 129.69 1is7 s LEU 77 Ca -0.06 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1is7 s LEU 77 Cb -0.15 -2.25 -0.00 0.00 0.50 0.00 0.00 46.19 44.29 1is7 s LEU 77 CO 0.02 0.01 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.15 1is7 s VAL 78 N 1.18 1.83 -0.10 1.68 1.01 0.62 -1.44 120.40 125.18 1is7 s VAL 78 Ca 0.11 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1is7 s VAL 78 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1is7 s VAL 78 CO 0.06 0.51 -0.12 0.26 0.00 0.00 0.00 175.10 175.81 1is7 s TRP 79 N 0.06 2.80 -0.30 5.22 0.51 -0.05 -0.64 118.94 126.55 1is7 s TRP 79 Ca -0.08 -0.41 -0.06 0.00 -2.12 0.00 0.00 56.10 53.43 1is7 s TRP 79 Cb -0.14 -1.77 0.02 0.00 -0.81 0.00 0.00 33.47 30.76 1is7 s TRP 79 CO 0.05 -0.03 0.07 0.00 -0.51 0.00 0.00 176.95 176.53 1is7 s LEU 81 N 1.45 3.37 -0.02 0.00 1.02 0.27 -0.40 118.68 124.37 1is7 s LEU 81 Ca 0.01 -0.28 0.04 0.00 0.02 0.00 0.00 54.13 53.92 1is7 s LEU 81 Cb -0.18 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 1is7 s LEU 81 CO 0.02 0.14 -0.13 -2.28 0.02 0.00 0.00 176.35 174.12 1is7 s HIS 82 N -1.44 1.21 0.00 0.29 2.46 -0.05 -0.80 115.29 116.95 1is7 s HIS 82 Ca 0.26 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.52 1is7 s HIS 82 Cb -0.11 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.54 1is7 s HIS 82 CO 0.18 -0.07 0.00 1.17 -2.47 0.00 0.00 174.74 173.55 1is7 n LYS 83 N 2.97 0.00 0.00 2.88 4.81 0.58 -0.93 118.16 128.47 1is7 n LYS 83 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1is7 n LYS 83 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1is7 n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66