#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th7 s ALA 2 N 0.00 2.71 0.23 4.61 0.00 -1.26 -4.92 121.76 123.12 1th7 s ALA 2 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 1th7 s ALA 2 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1th7 s ALA 2 CO 0.00 -1.19 1.62 -1.64 0.00 0.00 0.00 175.76 174.55 1th7 s MET 3 N -3.06 4.16 0.21 0.00 -1.94 -0.07 -4.90 119.30 113.69 1th7 s MET 3 Ca 0.73 2.51 -0.31 0.00 -1.71 0.00 0.00 55.69 56.91 1th7 s MET 3 Cb -0.34 -3.08 -0.10 0.00 2.01 0.00 0.00 34.83 33.31 1th7 s MET 3 CO 0.39 -0.65 1.53 1.21 -0.01 0.00 0.00 175.02 177.50 1th7 s ASN 4 N 0.88 6.58 0.37 3.03 3.84 -1.26 -4.90 114.94 123.49 1th7 s ASN 4 Ca 0.69 2.67 0.15 0.00 0.21 0.00 0.00 52.86 56.57 1th7 s ASN 4 Cb -0.47 -2.61 1.00 0.00 -0.55 0.00 0.00 41.25 38.62 1th7 s ASN 4 CO 0.38 -0.79 1.79 0.15 -2.79 0.00 0.00 177.10 175.83 1th7 h PHE 5 N 6.00 0.76 -0.16 0.43 3.57 -2.02 -1.37 116.94 124.15 1th7 h PHE 5 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1th7 h PHE 5 Cb 1.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1th7 h PHE 5 CO 0.63 0.12 0.00 1.28 -2.23 0.00 0.00 178.31 178.11 1th7 n LEU 6 N -4.65 2.35 -3.96 0.59 4.77 -1.26 -4.64 117.00 110.20 1th7 n LEU 6 Ca 0.24 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.87 1th7 n LEU 6 Cb 0.76 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1th7 n LEU 6 CO 0.25 0.46 2.18 0.00 -1.33 0.00 0.00 177.39 178.94 1th7 n ALA 7 N 0.80 5.07 -0.29 -1.18 0.00 -0.52 -4.79 120.51 119.60 1th7 n ALA 7 Ca 0.17 -4.09 0.08 0.00 0.00 0.00 0.00 53.44 49.60 1th7 n ALA 7 Cb 0.46 -3.27 0.24 0.00 0.00 0.00 0.00 19.45 16.88 1th7 n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1th7 h GLU 8 N 6.19 0.50 -0.47 0.00 4.22 -1.84 -2.71 114.58 120.47 1th7 h GLU 8 Ca 0.46 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.88 1th7 h GLU 8 Cb 0.69 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1th7 h GLU 8 CO 1.67 0.33 0.30 1.15 -2.18 0.00 0.00 179.01 180.28 1th7 h THR 9 N 0.51 1.09 -0.43 0.32 2.02 -1.99 0.55 112.91 114.99 1th7 h THR 9 Ca 0.48 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.37 1th7 h THR 9 Cb 0.76 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1th7 h THR 9 CO -0.42 0.11 -0.05 0.00 0.37 0.00 0.00 175.52 175.53 1th7 h ALA 10 N 1.19 0.58 -0.57 6.16 0.00 -1.91 -2.14 119.26 122.57 1th7 h ALA 10 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1th7 h ALA 10 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1th7 h ALA 10 CO -0.06 0.41 0.12 1.25 0.00 0.00 0.00 179.25 180.98 1th7 h HIS 11 N 0.61 0.93 -0.65 0.00 -0.00 -1.26 -2.77 115.15 112.02 1th7 h HIS 11 Ca 0.11 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 1th7 h HIS 11 Cb 0.56 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1th7 h HIS 11 CO 0.04 0.79 0.21 -0.22 -0.00 0.00 0.00 177.93 178.75 1th7 h LYS 12 N 0.86 1.00 -0.54 5.26 1.63 -0.67 0.47 116.57 124.59 1th7 h LYS 12 Ca 0.18 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1th7 h LYS 12 Cb 0.33 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1th7 h LYS 12 CO 0.00 0.87 0.35 0.28 -3.45 0.00 0.00 179.45 177.50 1th7 h VAL 13 N 0.94 1.12 -0.43 2.00 2.07 -1.14 0.43 116.25 121.23 1th7 h VAL 13 Ca 0.21 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1th7 h VAL 13 Cb 0.28 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1th7 h VAL 13 CO -0.01 0.13 -0.30 -0.07 0.02 0.00 0.00 177.57 177.34 1th7 h LEU 14 N 0.70 1.02 -0.73 2.57 3.38 -1.23 -2.13 115.31 118.89 1th7 h LEU 14 Ca 0.20 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1th7 h LEU 14 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1th7 h LEU 14 CO -0.06 1.23 0.41 0.00 0.09 0.00 0.00 178.44 180.12 1th7 h ALA 15 N 0.82 0.94 0.00 1.53 0.00 -0.52 -1.73 119.26 120.30 1th7 h ALA 15 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1th7 h ALA 15 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1th7 h ALA 15 CO 0.08 0.44 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 1th7 h GLU 16 N 1.01 0.00 0.00 0.00 4.39 -0.84 -2.82 114.58 116.32 1th7 h GLU 16 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1th7 h GLU 16 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1th7 h GLU 16 CO -0.04 0.17 -0.13 0.77 -1.16 0.00 0.00 179.01 178.62 1th7 h SER 17 N 0.00 0.00 -2.55 1.42 0.02 -0.64 -3.45 113.55 108.36 1th7 h SER 17 Ca -0.00 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 1th7 h SER 17 Cb 0.68 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.28 1th7 h SER 17 CO 0.02 0.01 0.87 -0.11 -1.14 0.00 0.00 176.83 176.48 1th7 n LEU 18 N -2.69 3.54 -0.74 5.07 7.94 -0.85 -1.06 117.00 128.22 1th7 n LEU 18 Ca 0.04 1.09 -0.10 0.00 -1.11 0.00 0.00 56.01 55.93 1th7 n LEU 18 Cb 0.49 -1.50 -0.04 0.00 0.53 0.00 0.00 43.42 42.90 1th7 n LEU 18 CO 0.33 -0.10 -0.09 0.59 -1.11 0.00 0.00 177.39 177.02 1th7 n ASN 19 N 3.37 -4.17 -4.25 1.96 5.03 0.24 -4.97 115.26 112.47 1th7 n ASN 19 Ca 0.15 0.24 -0.14 0.00 0.87 0.00 0.00 54.58 55.70 1th7 n ASN 19 Cb 0.32 -2.52 -0.10 0.00 -1.02 0.00 0.00 39.78 36.46 1th7 n ASN 19 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1th7 s ASN 20 N -2.90 1.42 0.17 6.41 0.01 -0.22 -4.89 114.94 114.94 1th7 s ASN 20 Ca 0.00 -1.14 -0.30 0.00 -0.71 0.00 0.00 52.86 50.70 1th7 s ASN 20 Cb 0.00 0.08 -0.08 0.00 0.41 0.00 0.00 41.25 41.65 1th7 s ASN 20 CO 0.00 -0.51 1.27 -0.22 -1.51 0.00 0.00 177.10 176.13 1th7 s LEU 21 N -3.19 4.42 0.07 0.60 1.98 -1.26 -1.28 118.68 120.02 1th7 s LEU 21 Ca 0.23 2.31 0.01 0.00 -2.89 0.00 0.00 54.13 53.78 1th7 s LEU 21 Cb 0.05 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.26 1th7 s LEU 21 CO 0.04 -0.49 -0.06 0.68 -1.89 0.00 0.00 176.35 174.63 1th7 s VAL 22 N 0.25 0.48 -0.13 1.68 -7.23 -0.16 -1.37 120.40 113.92 1th7 s VAL 22 Ca 0.56 -1.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1th7 s VAL 22 Cb -0.35 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 1th7 s VAL 22 CO 0.36 -0.76 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.04 1th7 s LEU 23 N -2.52 2.70 -0.15 1.32 1.98 0.10 -1.89 118.68 120.21 1th7 s LEU 23 Ca 0.03 -0.34 0.02 0.00 -2.89 0.00 0.00 54.13 50.95 1th7 s LEU 23 Cb 0.01 -1.61 0.01 0.00 0.66 0.00 0.00 46.19 45.26 1th7 s LEU 23 CO -0.05 0.16 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.67 1th7 s VAL 24 N 0.39 2.06 -0.13 1.68 1.01 0.80 -0.71 120.40 125.50 1th7 s VAL 24 Ca -0.11 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1th7 s VAL 24 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1th7 s VAL 24 CO 0.05 0.55 0.41 -0.54 0.00 0.00 0.00 175.10 175.57 1th7 s LYS 25 N 0.95 4.29 0.32 2.72 1.02 -0.46 -1.26 119.74 127.32 1th7 s LYS 25 Ca -0.04 0.32 0.09 0.00 0.02 0.00 0.00 55.97 56.36 1th7 s LYS 25 Cb -0.15 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1th7 s LYS 25 CO -0.05 0.21 0.02 -0.51 -0.92 0.00 0.00 175.35 174.10 1th7 s LEU 26 N 0.48 3.03 0.87 3.17 1.43 0.42 -0.61 118.68 127.46 1th7 s LEU 26 Ca 0.22 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 1th7 s LEU 26 Cb -0.14 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.75 1th7 s LEU 26 CO 0.08 -0.19 1.12 -0.54 0.23 0.00 0.00 176.35 177.05 1th7 s LYS 27 N -3.72 1.42 0.00 1.70 1.02 -0.47 -3.07 119.74 116.62 1th7 s LYS 27 Ca 0.34 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1th7 s LYS 27 Cb -0.02 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1th7 s LYS 27 CO 0.20 -2.28 0.00 0.41 -0.92 0.00 0.00 175.35 172.75 1th7 n GLY 28 N -0.38 0.43 3.51 -3.33 0.00 -1.26 -3.93 105.19 100.23 1th7 n GLY 28 Ca 0.10 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1th7 n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1th7 n ASN 29 N 1.52 -2.36 -4.37 1.61 3.02 -1.23 -5.02 115.26 108.43 1th7 n ASN 29 Ca 0.00 -0.65 -0.26 0.00 -0.03 0.00 0.00 54.58 53.64 1th7 n ASN 29 Cb 0.00 -4.90 -0.12 0.00 -0.61 0.00 0.00 39.78 34.15 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1th7 s LYS 30 N -5.59 1.37 -0.04 3.52 -0.14 -1.17 -5.03 119.74 112.66 1th7 s LYS 30 Ca 0.07 -1.40 -0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1th7 s LYS 30 Cb -0.03 -1.66 0.02 0.00 -1.68 0.00 0.00 37.83 34.47 1th7 s LYS 30 CO 0.75 0.37 0.11 -1.21 -0.76 0.00 0.00 175.35 174.60 1th7 s GLU 31 N -2.43 0.11 0.07 1.68 2.02 -1.26 -0.44 118.70 118.44 1th7 s GLU 31 Ca 0.16 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.39 1th7 s GLU 31 Cb -0.08 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.13 1th7 s GLU 31 CO 0.07 -0.05 -0.15 0.14 0.02 0.00 0.00 175.26 175.29 1th7 s VAL 32 N 0.28 1.23 -0.00 2.63 -7.23 -0.39 -1.06 120.40 115.86 1th7 s VAL 32 Ca -0.02 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1th7 s VAL 32 Cb -0.03 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1th7 s VAL 32 CO -0.01 -0.14 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.91 1th7 s ARG 33 N -1.62 1.09 0.00 4.82 3.52 -0.41 -0.14 118.95 126.21 1th7 s ARG 33 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1th7 s ARG 33 Cb -0.10 -1.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1th7 s ARG 33 CO 0.02 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 1th7 n GLY 34 N 2.65 -1.28 3.66 8.12 0.00 -0.79 -0.75 105.19 116.79 1th7 n GLY 34 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1th7 n GLY 34 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1th7 s MET 35 N -1.76 4.26 -0.12 1.61 -1.94 -0.46 -0.99 119.30 119.90 1th7 s MET 35 Ca 0.00 1.12 -0.29 0.00 -1.71 0.00 0.00 55.69 54.80 1th7 s MET 35 Cb 0.00 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.19 1th7 s MET 35 CO 0.00 -0.47 1.46 -1.17 -0.01 0.00 0.00 175.02 174.83 1th7 s LEU 36 N 2.65 4.23 -0.01 -0.03 2.96 -0.40 -1.01 118.68 127.08 1th7 s LEU 36 Ca 0.39 1.93 0.08 0.00 -0.22 0.00 0.00 54.13 56.32 1th7 s LEU 36 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1th7 s LEU 36 CO 0.09 -0.86 0.26 0.54 -1.32 0.00 0.00 176.35 175.06 1th7 n ARG 37 N 6.91 2.30 -3.56 1.98 5.12 0.37 0.83 116.66 130.60 1th7 n ARG 37 Ca 0.16 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.90 1th7 n ARG 37 Cb 0.44 -1.04 -0.06 0.00 -1.16 0.00 0.00 32.46 30.64 1th7 n ARG 37 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1th7 s SER 38 N -2.36 -0.54 0.04 0.55 0.15 -1.17 -4.91 113.70 105.46 1th7 s SER 38 Ca 0.00 0.66 -0.24 0.00 0.70 0.00 0.00 55.95 57.07 1th7 s SER 38 Cb 0.06 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.97 1th7 s SER 38 CO 0.34 -0.44 0.56 -0.72 1.20 0.00 0.00 173.24 174.18 1th7 s TYR 39 N -0.93 -0.49 0.23 3.44 -0.85 -1.26 -2.00 117.35 115.50 1th7 s TYR 39 Ca -0.06 0.59 0.05 0.00 -0.52 0.00 0.00 57.07 57.13 1th7 s TYR 39 Cb -0.01 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 1th7 s TYR 39 CO 0.05 -0.66 0.16 -0.40 -1.52 0.00 0.00 175.55 173.18 1th7 n ASP 40 N 0.43 -0.07 0.18 -0.18 5.68 -1.09 -4.96 116.55 116.53 1th7 n ASP 40 Ca -0.18 -2.44 0.13 0.00 -0.50 0.00 0.00 54.79 51.80 1th7 n ASP 40 Cb 0.60 1.00 0.63 0.00 -1.14 0.00 0.00 41.12 42.21 1th7 n ASP 40 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1th7 h GLN 41 N 0.00 0.00 -0.29 0.11 -0.00 -1.92 -0.57 115.11 112.45 1th7 h GLN 41 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1th7 h GLN 41 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 1th7 h GLN 41 CO 0.25 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.80 1th7 n HIS 42 N -2.40 0.36 -2.24 0.06 8.25 -1.26 -0.89 115.22 117.10 1th7 n HIS 42 Ca -0.00 -0.18 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 1th7 n HIS 42 Cb 0.13 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 1th7 n HIS 42 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1th7 n MET 43 N 1.46 -1.12 -2.49 -0.41 2.81 -0.22 -4.26 117.12 112.90 1th7 n MET 43 Ca 0.18 0.69 -0.42 0.00 -1.81 0.00 0.00 57.70 56.34 1th7 n MET 43 Cb 0.61 -4.97 -0.03 0.00 -0.71 0.00 0.00 33.22 28.12 1th7 n MET 43 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1th7 s ASN 44 N -2.38 7.15 0.24 7.83 0.01 -1.26 -3.63 114.94 122.90 1th7 s ASN 44 Ca 0.00 1.95 0.06 0.00 -0.71 0.00 0.00 52.86 54.16 1th7 s ASN 44 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1th7 s ASN 44 CO 0.00 -0.41 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.35 1th7 s LEU 45 N 0.95 2.45 -0.08 0.60 1.43 -0.20 -2.68 118.68 121.15 1th7 s LEU 45 Ca 0.57 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1th7 s LEU 45 Cb -0.28 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1th7 s LEU 45 CO 0.29 -0.33 -0.08 -0.69 0.23 0.00 0.00 176.35 175.77 1th7 s VAL 46 N -3.10 0.92 0.01 -1.59 1.01 -0.84 -0.08 120.40 116.72 1th7 s VAL 46 Ca 0.27 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1th7 s VAL 46 Cb 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1th7 s VAL 46 CO 0.09 0.33 -0.24 -0.76 0.00 0.00 0.00 175.10 174.52 1th7 s LEU 47 N 1.23 2.10 0.25 3.92 1.43 -0.38 -0.48 118.68 126.75 1th7 s LEU 47 Ca -0.05 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1th7 s LEU 47 Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1th7 s LEU 47 CO -0.02 0.26 -0.07 -0.94 0.23 0.00 0.00 176.35 175.80 1th7 s SER 48 N -0.84 4.24 -1.64 2.29 1.04 -0.18 -0.75 113.70 117.87 1th7 s SER 48 Ca 0.09 -0.73 -0.15 0.00 0.48 0.00 0.00 55.95 55.65 1th7 s SER 48 Cb -0.09 -0.68 0.12 0.00 0.10 0.00 0.00 66.02 65.47 1th7 s SER 48 CO 0.00 0.03 0.73 -0.67 0.98 0.00 0.00 173.24 174.31 1th7 n ASP 49 N -0.62 -2.83 -4.93 7.02 4.64 -1.11 -1.36 116.55 117.35 1th7 n ASP 49 Ca -0.07 -1.00 -0.25 0.00 -1.38 0.00 0.00 54.79 52.09 1th7 n ASP 49 Cb 0.58 -2.87 0.04 0.00 -1.04 0.00 0.00 41.12 37.83 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1th7 s SER 50 N -3.50 5.44 -0.04 1.67 1.04 -0.21 -4.59 113.70 113.51 1th7 s SER 50 Ca 0.60 0.50 -0.19 0.00 0.48 0.00 0.00 55.95 57.34 1th7 s SER 50 Cb -0.32 -1.46 0.04 0.00 0.10 0.00 0.00 66.02 64.38 1th7 s SER 50 CO 0.92 -1.11 0.42 -1.83 0.98 0.00 0.00 173.24 172.61 1th7 s GLU 51 N -4.94 0.76 -0.12 4.02 -1.05 0.07 -0.44 118.70 117.00 1th7 s GLU 51 Ca 0.55 0.00 -0.23 0.00 -0.15 0.00 0.00 54.97 55.14 1th7 s GLU 51 Cb -0.10 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 1th7 s GLU 51 CO 0.43 -0.21 0.71 -1.21 0.95 0.00 0.00 175.26 175.93 1th7 s GLU 52 N -1.15 4.35 -0.12 -4.83 2.02 0.29 -1.28 118.70 117.98 1th7 s GLU 52 Ca -0.12 0.84 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 1th7 s GLU 52 Cb -0.04 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1th7 s GLU 52 CO 0.05 -0.10 1.10 0.42 0.02 0.00 0.00 175.26 176.75 1th7 s ILE 53 N 1.39 4.56 0.76 -1.63 -1.09 -0.22 -1.79 121.20 123.17 1th7 s ILE 53 Ca 0.35 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.60 1th7 s ILE 53 Cb -0.17 -4.19 0.14 0.00 -1.58 0.00 0.00 42.46 36.65 1th7 s ILE 53 CO 0.15 -0.04 1.04 -1.10 -1.23 0.00 0.00 174.94 173.75 1th7 s GLN 54 N 2.44 1.54 0.09 2.79 -1.52 0.06 -4.64 119.66 120.41 1th7 s GLN 54 Ca 0.50 -0.99 -0.27 0.00 -1.95 0.00 0.00 55.36 52.66 1th7 s GLN 54 Cb -0.20 -2.26 -0.15 0.00 -0.22 0.00 0.00 33.01 30.19 1th7 s GLN 54 CO 0.17 -1.59 1.69 0.77 -0.25 0.00 0.00 175.29 176.08 1th7 h SER 55 N -0.69 -0.36 0.00 5.90 0.02 -1.96 -2.36 113.55 114.09 1th7 h SER 55 Ca -0.38 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1th7 h SER 55 Cb 1.26 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1th7 h SER 55 CO 0.40 -0.23 0.00 -0.90 -1.14 0.00 0.00 176.83 174.96 1th7 n ASP 56 N -5.26 1.10 0.00 3.07 5.75 -1.26 -4.79 116.55 115.16 1th7 n ASP 56 Ca -0.09 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1th7 n ASP 56 Cb 0.18 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1th7 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1th7 n GLY 57 N 0.14 2.53 3.38 6.12 0.00 -0.89 -4.99 105.19 111.48 1th7 n GLY 57 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1th7 n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th7 s SER 58 N -3.47 -0.34 -0.09 1.61 1.04 -1.26 -4.58 113.70 106.60 1th7 s SER 58 Ca 0.00 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1th7 s SER 58 Cb 0.00 -1.53 0.04 0.00 0.10 0.00 0.00 66.02 64.63 1th7 s SER 58 CO 0.00 -4.95 0.22 -0.83 0.98 0.00 0.00 173.24 168.67 1th7 s GLY 59 N -3.00 -0.13 -0.32 7.32 0.00 -1.26 -0.76 107.32 109.17 1th7 s GLY 59 Ca 0.69 0.88 -0.14 0.00 0.00 0.00 0.00 44.72 46.14 1th7 s GLY 59 CO 0.60 1.09 0.32 0.54 0.00 0.00 0.00 173.10 175.65 1th7 s LYS 60 N 1.04 3.67 0.25 2.90 1.02 -0.74 -4.87 119.74 123.02 1th7 s LYS 60 Ca -0.08 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1th7 s LYS 60 Cb -0.09 -3.76 -0.10 0.00 -0.52 0.00 0.00 37.83 33.36 1th7 s LYS 60 CO -0.07 -0.43 1.42 0.15 -0.92 0.00 0.00 175.35 175.50 1th7 s LYS 61 N 1.94 4.29 -0.00 1.68 1.02 -1.26 -0.54 119.74 126.86 1th7 s LYS 61 Ca 0.11 2.27 0.02 0.00 0.02 0.00 0.00 55.97 58.39 1th7 s LYS 61 Cb -0.16 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1th7 s LYS 61 CO 0.11 -0.39 0.09 1.28 -0.92 0.00 0.00 175.35 175.52 1th7 n LEU 62 N 2.27 0.08 0.00 3.17 4.32 0.41 -4.90 117.00 122.35 1th7 n LEU 62 Ca 0.06 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 1th7 n LEU 62 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1th7 n LEU 62 CO 0.60 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1th7 n GLY 63 N 1.44 1.18 3.75 -0.72 0.00 -1.05 -4.71 105.19 105.07 1th7 n GLY 63 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 1th7 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1th7 s THR 64 N 0.00 4.83 0.01 2.61 2.01 -1.26 -1.05 115.64 122.79 1th7 s THR 64 Ca 0.00 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1th7 s THR 64 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1th7 s THR 64 CO 0.00 0.38 -0.02 0.27 -0.69 0.00 0.00 174.62 174.56 1th7 s ILE 65 N -0.08 0.13 -0.26 1.82 -4.36 0.07 -4.99 121.20 113.53 1th7 s ILE 65 Ca 0.35 -0.41 -0.06 0.00 -0.26 0.00 0.00 60.65 60.27 1th7 s ILE 65 Cb -0.19 -0.18 -0.01 0.00 1.25 0.00 0.00 42.46 43.33 1th7 s ILE 65 CO 0.20 -0.18 0.05 -0.69 0.24 0.00 0.00 174.94 174.56 1th7 s VAL 66 N -0.60 3.96 -0.20 8.37 1.01 -1.26 -1.25 120.40 130.43 1th7 s VAL 66 Ca -0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1th7 s VAL 66 Cb -0.04 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1th7 s VAL 66 CO -0.00 0.24 0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1th7 s ILE 67 N 1.54 4.93 -0.07 2.22 1.01 0.88 -4.96 121.20 126.75 1th7 s ILE 67 Ca 0.05 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1th7 s ILE 67 Cb -0.16 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1th7 s ILE 67 CO 0.02 0.42 1.14 -0.60 0.00 0.00 0.00 174.94 175.92 1th7 s ARG 68 N 0.67 4.37 0.55 2.79 3.52 -1.26 -1.03 118.95 128.56 1th7 s ARG 68 Ca 0.05 1.59 0.28 0.00 -0.13 0.00 0.00 55.73 57.52 1th7 s ARG 68 Cb -0.13 -3.55 1.45 0.00 -1.56 0.00 0.00 34.95 31.17 1th7 s ARG 68 CO 0.01 -0.41 1.96 0.78 -0.81 0.00 0.00 175.30 176.84 1th7 h GLY 69 N 8.12 0.00 2.00 8.12 0.00 -1.74 -2.00 103.07 117.58 1th7 h GLY 69 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1th7 h GLY 69 CO 0.87 0.00 -0.00 -1.80 0.00 0.00 0.00 176.54 175.61 1th7 h ASP 70 N 0.00 0.00 0.18 0.19 1.82 -1.88 -1.29 116.42 115.44 1th7 h ASP 70 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1th7 h ASP 70 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1th7 h ASP 70 CO -0.00 0.00 -0.39 0.59 -1.61 0.00 0.00 179.24 177.83 1th7 n ASN 71 N -3.17 1.25 -4.71 2.28 3.02 -0.75 -4.92 115.26 108.26 1th7 n ASN 71 Ca -0.03 -1.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.10 1th7 n ASN 71 Cb 0.09 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1th7 n ASN 71 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1th7 s VAL 72 N -2.58 4.91 -0.25 2.41 1.01 -0.49 -1.37 120.40 124.03 1th7 s VAL 72 Ca 0.20 1.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.96 1th7 s VAL 72 Cb 0.19 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1th7 s VAL 72 CO 0.58 0.18 -0.29 -0.38 0.00 0.00 0.00 175.10 175.19 1th7 n ILE 73 N 3.87 1.52 -3.59 2.22 5.41 0.22 -4.92 119.36 124.09 1th7 n ILE 73 Ca 0.05 -0.26 -0.11 0.00 1.00 0.00 0.00 62.75 63.42 1th7 n ILE 73 Cb 0.51 -1.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.42 1th7 n ILE 73 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 1th7 s LEU 74 N -7.62 0.18 -0.05 1.39 0.05 -1.17 -5.00 118.68 106.45 1th7 s LEU 74 Ca -0.36 -0.17 0.03 0.00 0.05 0.00 0.00 54.13 53.69 1th7 s LEU 74 Cb 0.12 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 46.26 1th7 s LEU 74 CO 0.49 -0.83 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.68 1th7 s ILE 75 N -3.47 1.28 -0.09 1.48 1.01 -1.26 -1.35 121.20 118.79 1th7 s ILE 75 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1th7 s ILE 75 Cb 0.01 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1th7 s ILE 75 CO -0.10 0.38 -0.03 -0.55 0.00 0.00 0.00 174.94 174.65 1th7 s SER 76 N 0.32 1.88 0.22 3.58 0.15 0.11 -4.97 113.70 114.99 1th7 s SER 76 Ca -0.09 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1th7 s SER 76 Cb -0.13 -0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 63.48 1th7 s SER 76 CO 0.03 -0.17 1.36 -2.84 1.20 0.00 0.00 173.24 172.82 1th7 s PRO 77 N 1.87 4.34 0.00 5.44 0.02 -1.26 -0.72 135.00 144.69 1th7 s PRO 77 Ca 0.05 2.15 0.25 0.00 0.02 0.00 0.00 61.00 63.46 1th7 s PRO 77 Cb -0.13 -3.16 0.32 0.00 0.02 0.00 0.00 34.50 31.55 1th7 s PRO 77 CO -0.06 -0.31 1.33 1.28 -0.33 0.00 0.00 177.00 178.91