#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 3.42 0.23 4.61 0.00 -1.26 -4.91 121.76 123.86 1th7 s ALA 2 Ca 0.00 1.52 -0.32 0.00 0.00 0.00 0.00 51.96 53.16 1th7 s ALA 2 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 1th7 s ALA 2 CO 0.00 -1.11 1.68 -1.33 0.00 0.00 0.00 175.76 175.00 1th7 n MET 3 N 0.17 2.72 -1.89 0.00 0.00 -0.30 -4.88 117.12 112.94 1th7 n MET 3 Ca 0.03 0.98 -0.42 0.00 0.00 0.00 0.00 57.70 58.29 1th7 n MET 3 Cb 0.40 -2.80 -0.03 0.00 0.00 0.00 0.00 33.22 30.79 1th7 n MET 3 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1th7 s ASN 4 N 0.95 6.54 0.31 7.83 3.84 -1.26 -4.90 114.94 128.25 1th7 s ASN 4 Ca 0.72 2.69 0.09 0.00 0.21 0.00 0.00 52.86 56.57 1th7 s ASN 4 Cb -0.51 -2.60 0.87 0.00 -0.55 0.00 0.00 41.25 38.45 1th7 s ASN 4 CO 0.37 -0.85 1.72 0.15 -2.79 0.00 0.00 177.10 175.71 1th7 h PHE 5 N 6.47 0.93 -0.01 0.43 3.57 -2.02 -1.11 116.94 125.20 1th7 h PHE 5 Ca -0.43 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1th7 h PHE 5 Cb 1.21 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1th7 h PHE 5 CO 0.64 0.03 -0.02 1.28 -2.23 0.00 0.00 178.31 178.00 1th7 n LEU 6 N -4.93 1.52 -3.74 0.59 4.77 -1.26 -4.52 117.00 109.43 1th7 n LEU 6 Ca 0.26 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 1th7 n LEU 6 Cb 0.74 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1th7 n LEU 6 CO 0.15 0.25 2.35 0.00 -1.33 0.00 0.00 177.39 178.82 1th7 n ALA 7 N 0.16 5.75 -0.21 -1.18 0.00 -0.42 -4.78 120.51 119.83 1th7 n ALA 7 Ca 0.18 -4.09 0.15 0.00 0.00 0.00 0.00 53.44 49.68 1th7 n ALA 7 Cb 0.36 -3.17 0.46 0.00 0.00 0.00 0.00 19.45 17.11 1th7 n ALA 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1th7 h GLU 8 N 5.64 0.49 -0.47 0.00 5.08 -1.82 -2.49 114.58 121.01 1th7 h GLU 8 Ca 0.52 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1th7 h GLU 8 Cb 0.57 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1th7 h GLU 8 CO 1.71 0.33 0.25 1.15 -1.00 0.00 0.00 179.01 181.44 1th7 h THR 9 N 0.51 1.18 -0.42 1.13 2.02 -1.98 0.98 112.91 116.32 1th7 h THR 9 Ca 0.42 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1th7 h THR 9 Cb 0.87 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1th7 h THR 9 CO -0.16 0.19 0.08 0.00 0.37 0.00 0.00 175.52 176.00 1th7 h ALA 10 N 1.09 0.55 -0.86 6.16 0.00 -1.87 -2.41 119.26 121.92 1th7 h ALA 10 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1th7 h ALA 10 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1th7 h ALA 10 CO -0.02 0.26 0.45 1.25 0.00 0.00 0.00 179.25 181.19 1th7 h HIS 11 N 0.55 1.21 -0.98 0.00 6.17 -1.27 -2.68 115.15 118.14 1th7 h HIS 11 Ca 0.13 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1th7 h HIS 11 Cb 0.36 -0.38 -0.05 0.00 2.52 0.00 0.00 27.41 29.86 1th7 h HIS 11 CO 0.02 0.85 0.62 -0.22 0.71 0.00 0.00 177.93 179.92 1th7 h LYS 12 N 1.22 1.30 -0.42 5.26 3.64 -0.55 0.13 116.57 127.14 1th7 h LYS 12 Ca 0.30 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1th7 h LYS 12 Cb 0.06 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1th7 h LYS 12 CO -0.04 0.88 0.28 0.28 -2.27 0.00 0.00 179.45 178.57 1th7 h VAL 13 N 1.33 1.11 -0.38 2.00 2.07 -1.10 0.38 116.25 121.67 1th7 h VAL 13 Ca 0.35 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.54 1th7 h VAL 13 Cb -0.12 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1th7 h VAL 13 CO -0.07 0.11 -0.26 -0.07 0.02 0.00 0.00 177.57 177.29 1th7 h LEU 14 N 0.57 0.88 -0.88 2.57 3.38 -1.35 -1.84 115.31 118.65 1th7 h LEU 14 Ca 0.15 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1th7 h LEU 14 Cb -0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1th7 h LEU 14 CO -0.03 1.13 0.57 0.00 0.09 0.00 0.00 178.44 180.20 1th7 h ALA 15 N 0.78 1.11 0.00 1.53 0.00 -0.68 -1.79 119.26 120.22 1th7 h ALA 15 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1th7 h ALA 15 Cb 0.84 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1th7 h ALA 15 CO 0.07 0.52 -0.12 0.93 0.00 0.00 0.00 179.25 180.66 1th7 h GLU 16 N 1.19 0.00 0.00 0.00 5.08 -0.85 -3.03 114.58 116.96 1th7 h GLU 16 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1th7 h GLU 16 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1th7 h GLU 16 CO -0.07 0.12 -0.32 0.77 -1.00 0.00 0.00 179.01 178.52 1th7 h SER 17 N 0.00 0.00 -2.54 1.42 0.02 -0.53 -3.46 113.55 108.46 1th7 h SER 17 Ca -0.00 -0.08 -0.58 0.00 -0.84 0.00 0.00 61.79 60.29 1th7 h SER 17 Cb 0.86 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.47 1th7 h SER 17 CO 0.02 0.04 0.72 -0.11 -1.14 0.00 0.00 176.83 176.36 1th7 n LEU 18 N -2.37 3.21 -0.88 5.07 7.94 -0.75 -1.05 117.00 128.16 1th7 n LEU 18 Ca 0.04 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 1th7 n LEU 18 Cb 0.46 -1.44 -0.05 0.00 0.53 0.00 0.00 43.42 42.92 1th7 n LEU 18 CO 0.34 -0.34 -0.11 0.59 -1.11 0.00 0.00 177.39 176.76 1th7 n ASN 19 N 2.75 -4.44 -4.31 1.96 5.03 0.25 -4.97 115.26 111.53 1th7 n ASN 19 Ca 0.14 0.29 -0.16 0.00 0.87 0.00 0.00 54.58 55.71 1th7 n ASN 19 Cb 0.31 -2.95 -0.10 0.00 -1.02 0.00 0.00 39.78 36.01 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 -2.85 1.73 0.26 6.41 0.01 -0.22 -4.87 114.94 115.40 1th7 s ASN 20 Ca 0.00 -1.19 -0.30 0.00 -0.71 0.00 0.00 52.86 50.66 1th7 s ASN 20 Cb 0.00 0.03 -0.09 0.00 0.41 0.00 0.00 41.25 41.59 1th7 s ASN 20 CO 0.00 -0.50 1.23 -0.76 -1.51 0.00 0.00 177.10 175.56 1th7 s LEU 21 N -3.27 4.46 0.05 0.60 1.43 -1.26 -1.22 118.68 119.47 1th7 s LEU 21 Ca 0.27 2.42 -0.03 0.00 -1.03 0.00 0.00 54.13 55.75 1th7 s LEU 21 Cb 0.05 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1th7 s LEU 21 CO 0.07 -0.39 0.04 0.68 0.23 0.00 0.00 176.35 176.97 1th7 s VAL 22 N -0.62 0.18 -0.11 -1.59 -7.23 -0.15 -0.64 120.40 110.24 1th7 s VAL 22 Ca 0.50 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1th7 s VAL 22 Cb -0.35 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 1th7 s VAL 22 CO 0.43 -0.82 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.06 1th7 s LEU 23 N -2.64 2.82 -0.15 1.32 1.98 0.32 -1.97 118.68 120.36 1th7 s LEU 23 Ca 0.03 -0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.03 1th7 s LEU 23 Cb 0.04 -1.62 0.02 0.00 0.66 0.00 0.00 46.19 45.29 1th7 s LEU 23 CO -0.08 0.23 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.75 1th7 s VAL 24 N -0.00 1.69 -0.07 1.68 1.01 0.66 -0.58 120.40 124.79 1th7 s VAL 24 Ca -0.03 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1th7 s VAL 24 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1th7 s VAL 24 CO 0.04 0.48 0.52 -0.54 0.00 0.00 0.00 175.10 175.60 1th7 s LYS 25 N 1.29 4.30 0.21 2.72 1.02 -0.38 -1.44 119.74 127.47 1th7 s LYS 25 Ca 0.02 0.56 0.11 0.00 0.02 0.00 0.00 55.97 56.68 1th7 s LYS 25 Cb -0.13 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1th7 s LYS 25 CO -0.08 0.26 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.86 1th7 s LEU 26 N 0.26 2.47 -0.30 3.17 1.43 -1.26 -0.52 118.68 123.93 1th7 s LEU 26 Ca 0.28 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 1th7 s LEU 26 Cb -0.16 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1th7 s LEU 26 CO 0.13 0.10 0.17 -1.59 0.23 0.00 0.00 176.35 175.39 1th7 s LYS 27 N -2.88 3.54 0.00 1.70 -2.85 -0.07 -4.17 119.74 115.01 1th7 s LYS 27 Ca 0.23 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1th7 s LYS 27 Cb -0.07 -3.61 0.00 0.00 -2.06 0.00 0.00 37.83 32.08 1th7 s LYS 27 CO 0.11 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1th7 n GLY 28 N 5.02 0.97 3.54 0.59 0.00 -1.26 -4.89 105.19 109.16 1th7 n GLY 28 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1th7 n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1th7 s ASN 29 N -2.06 -0.57 0.69 1.61 3.84 -1.26 -5.16 114.94 112.03 1th7 s ASN 29 Ca 0.00 0.62 -0.16 0.00 0.21 0.00 0.00 52.86 53.52 1th7 s ASN 29 Cb 0.00 0.47 0.01 0.00 -0.55 0.00 0.00 41.25 41.18 1th7 s ASN 29 CO 0.00 -0.53 1.22 -0.54 -2.79 0.00 0.00 177.10 174.46 1th7 s LYS 30 N -1.19 2.40 0.61 0.43 1.02 -1.26 -4.24 119.74 117.51 1th7 s LYS 30 Ca -0.08 1.80 -0.19 0.00 0.02 0.00 0.00 55.97 57.52 1th7 s LYS 30 Cb -0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1th7 s LYS 30 CO 0.07 -1.65 1.32 -1.83 -0.92 0.00 0.00 175.35 172.34 1th7 s GLU 31 N -3.72 2.78 0.15 1.68 -1.05 -1.26 -4.67 118.70 112.61 1th7 s GLU 31 Ca 0.76 2.12 0.09 0.00 -0.15 0.00 0.00 54.97 57.80 1th7 s GLU 31 Cb -0.30 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.35 1th7 s GLU 31 CO 0.42 -1.44 -0.21 0.14 0.95 0.00 0.00 175.26 175.12 1th7 s VAL 32 N -1.36 1.96 0.02 1.83 -7.23 -0.52 -1.26 120.40 113.83 1th7 s VAL 32 Ca 0.79 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1th7 s VAL 32 Cb -0.38 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1th7 s VAL 32 CO 0.42 -0.17 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.78 1th7 s ARG 33 N -2.49 0.98 0.00 4.82 0.52 -0.35 -0.24 118.95 122.20 1th7 s ARG 33 Ca 0.15 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1th7 s ARG 33 Cb -0.08 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1th7 s ARG 33 CO 0.07 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1th7 n GLY 34 N 2.29 -1.53 3.67 -3.53 0.00 -0.83 -0.49 105.19 104.77 1th7 n GLY 34 Ca -0.16 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.82 4.29 -0.10 1.61 -1.94 -0.51 -0.97 119.30 119.86 1th7 s MET 35 Ca 0.00 1.09 -0.30 0.00 -1.71 0.00 0.00 55.69 54.77 1th7 s MET 35 Cb 0.00 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 1th7 s MET 35 CO 0.00 -0.38 1.39 -1.17 -0.01 0.00 0.00 175.02 174.85 1th7 s LEU 36 N 2.32 4.25 -0.01 -0.03 2.96 -0.36 -1.00 118.68 126.81 1th7 s LEU 36 Ca 0.40 1.91 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 1th7 s LEU 36 Cb -0.16 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1th7 s LEU 36 CO 0.12 -0.79 0.21 0.54 -1.32 0.00 0.00 176.35 175.11 1th7 n ARG 37 N 6.45 2.07 -3.56 1.98 5.12 0.13 0.84 116.66 129.70 1th7 n ARG 37 Ca 0.14 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.88 1th7 n ARG 37 Cb 0.44 -1.03 -0.06 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.34 -0.55 0.12 0.55 0.15 -1.19 -4.89 113.70 105.55 1th7 s SER 38 Ca -0.00 0.68 -0.22 0.00 0.70 0.00 0.00 55.95 57.11 1th7 s SER 38 Cb 0.05 0.56 0.06 0.00 -1.71 0.00 0.00 66.02 64.98 1th7 s SER 38 CO 0.29 -0.46 0.55 -0.72 1.20 0.00 0.00 173.24 174.10 1th7 s TYR 39 N -0.93 -0.45 0.21 3.44 -0.85 -1.26 -2.05 117.35 115.46 1th7 s TYR 39 Ca -0.06 0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.83 1th7 s TYR 39 Cb -0.01 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 1th7 s TYR 39 CO 0.05 -0.77 0.20 -0.40 -1.52 0.00 0.00 175.55 173.11 1th7 n ASP 40 N -0.15 -0.51 0.19 -0.18 5.68 -1.11 -4.95 116.55 115.52 1th7 n ASP 40 Ca -0.17 -2.31 0.14 0.00 -0.50 0.00 0.00 54.79 51.94 1th7 n ASP 40 Cb 0.63 1.13 0.67 0.00 -1.14 0.00 0.00 41.12 42.42 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 -0.35 0.11 -0.00 -1.92 -0.60 115.11 112.36 1th7 h GLN 41 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1th7 h GLN 41 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 1th7 h GLN 41 CO 0.21 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.76 1th7 n HIS 42 N -2.47 0.45 -2.28 0.06 8.25 -1.26 -1.15 115.22 116.82 1th7 n HIS 42 Ca -0.00 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.06 1th7 n HIS 42 Cb 0.12 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 1.39 -1.22 -2.47 -0.41 2.81 -0.23 -4.30 117.12 112.69 1th7 n MET 43 Ca 0.18 0.75 -0.42 0.00 -1.81 0.00 0.00 57.70 56.40 1th7 n MET 43 Cb 0.58 -5.09 -0.03 0.00 -0.71 0.00 0.00 33.22 27.96 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 -2.32 7.16 0.26 7.83 0.01 -1.26 -3.62 114.94 123.00 1th7 s ASN 44 Ca 0.00 2.03 0.04 0.00 -0.71 0.00 0.00 52.86 54.22 1th7 s ASN 44 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1th7 s ASN 44 CO 0.00 -0.37 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.45 1th7 s LEU 45 N 0.53 2.26 -0.06 0.60 1.43 -0.34 -2.75 118.68 120.35 1th7 s LEU 45 Ca 0.55 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1th7 s LEU 45 Cb -0.29 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.56 1th7 s LEU 45 CO 0.31 -0.49 -0.05 -0.69 0.23 0.00 0.00 176.35 175.67 1th7 s VAL 46 N -3.29 0.60 -0.02 -1.59 1.01 -0.87 -0.28 120.40 115.97 1th7 s VAL 46 Ca 0.31 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1th7 s VAL 46 Cb 0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1th7 s VAL 46 CO 0.11 0.26 -0.24 -0.76 0.00 0.00 0.00 175.10 174.47 1th7 s LEU 47 N 1.17 2.05 0.24 3.92 1.43 -0.40 -0.69 118.68 126.40 1th7 s LEU 47 Ca -0.07 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1th7 s LEU 47 Cb -0.14 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1th7 s LEU 47 CO -0.01 0.29 -0.02 -0.94 0.23 0.00 0.00 176.35 175.90 1th7 s SER 48 N -0.56 4.50 -1.62 2.29 1.04 -0.17 -0.72 113.70 118.46 1th7 s SER 48 Ca 0.09 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.73 1th7 s SER 48 Cb -0.09 -0.83 0.15 0.00 0.10 0.00 0.00 66.02 65.35 1th7 s SER 48 CO -0.01 0.03 0.73 -0.67 0.98 0.00 0.00 173.24 174.30 1th7 n ASP 49 N -0.66 -3.30 -4.91 7.02 2.03 -1.09 -1.42 116.55 114.23 1th7 n ASP 49 Ca -0.07 -0.90 -0.28 0.00 0.52 0.00 0.00 54.79 54.06 1th7 n ASP 49 Cb 0.58 -2.71 0.06 0.00 -0.72 0.00 0.00 41.12 38.33 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1th7 s SER 50 N -3.16 5.05 -0.10 1.67 1.04 -0.04 -4.63 113.70 113.52 1th7 s SER 50 Ca 0.69 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.75 1th7 s SER 50 Cb -0.38 -1.50 0.04 0.00 0.10 0.00 0.00 66.02 64.28 1th7 s SER 50 CO 0.85 -1.52 0.42 -1.83 0.98 0.00 0.00 173.24 172.14 1th7 s GLU 51 N -5.33 0.63 -0.20 4.02 -1.05 0.36 -1.29 118.70 115.84 1th7 s GLU 51 Ca 0.59 0.28 -0.17 0.00 -0.15 0.00 0.00 54.97 55.52 1th7 s GLU 51 Cb -0.11 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 1th7 s GLU 51 CO 0.48 -0.14 0.47 -2.00 0.95 0.00 0.00 175.26 175.02 1th7 s GLU 52 N -0.49 4.18 -0.08 -4.83 2.12 0.13 -1.21 118.70 118.52 1th7 s GLU 52 Ca -0.06 0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1th7 s GLU 52 Cb -0.03 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1th7 s GLU 52 CO 0.03 -0.10 1.00 0.42 -0.54 0.00 0.00 175.26 176.06 1th7 s ILE 53 N 1.50 4.81 0.70 -3.70 -1.09 -0.39 -0.59 121.20 122.44 1th7 s ILE 53 Ca 0.22 2.04 -0.04 0.00 -2.23 0.00 0.00 60.65 60.63 1th7 s ILE 53 Cb -0.15 -4.31 0.09 0.00 -1.58 0.00 0.00 42.46 36.51 1th7 s ILE 53 CO 0.09 0.04 0.99 -1.10 -1.23 0.00 0.00 174.94 173.73 1th7 s GLN 54 N 1.79 1.94 0.56 2.79 -1.52 0.14 -4.45 119.66 120.92 1th7 s GLN 54 Ca 0.49 -0.64 0.33 0.00 -1.95 0.00 0.00 55.36 53.59 1th7 s GLN 54 Cb -0.19 -2.25 1.64 0.00 -0.22 0.00 0.00 33.01 31.99 1th7 s GLN 54 CO 0.20 -1.32 2.11 0.66 -0.25 0.00 0.00 175.29 176.69 1th7 h SER 55 N -0.55 0.00 -0.23 5.90 4.64 -1.97 -1.93 113.55 119.41 1th7 h SER 55 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1th7 h SER 55 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1th7 h SER 55 CO 0.50 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1th7 n ASP 56 N -3.34 2.26 0.00 4.97 5.75 -1.26 -4.92 116.55 120.02 1th7 n ASP 56 Ca -0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1th7 n ASP 56 Cb 0.23 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.25 3.22 3.63 6.12 0.00 -0.73 -5.05 105.19 113.64 1th7 n GLY 57 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.09 2.53 -0.06 1.61 1.04 -1.26 -4.60 113.70 111.88 1th7 s SER 58 Ca 0.00 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.22 1th7 s SER 58 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1th7 s SER 58 CO 0.00 -3.27 -0.06 -0.83 0.98 0.00 0.00 173.24 170.05 1th7 s GLY 59 N -2.86 0.57 -0.21 7.32 0.00 -1.26 0.24 107.32 111.12 1th7 s GLY 59 Ca 0.66 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 45.01 1th7 s GLY 59 CO 0.60 0.45 0.48 0.54 0.00 0.00 0.00 173.10 175.17 1th7 s LYS 60 N 1.02 4.16 0.27 2.90 -0.14 0.25 -4.82 119.74 123.37 1th7 s LYS 60 Ca -0.09 0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 1th7 s LYS 60 Cb -0.14 -3.57 -0.10 0.00 -1.68 0.00 0.00 37.83 32.33 1th7 s LYS 60 CO -0.00 -0.15 1.42 0.15 -0.76 0.00 0.00 175.35 176.01 1th7 s LYS 61 N 1.65 4.27 0.00 1.68 -0.14 -1.26 0.17 119.74 126.11 1th7 s LYS 61 Ca 0.22 2.31 0.00 0.00 -1.36 0.00 0.00 55.97 57.14 1th7 s LYS 61 Cb -0.15 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1th7 s LYS 61 CO 0.09 -0.39 0.00 1.28 -0.76 0.00 0.00 175.35 175.57 1th7 n LEU 62 N 1.98 0.00 0.00 3.17 4.77 -0.41 -4.87 117.00 121.64 1th7 n LEU 62 Ca 0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1th7 n LEU 62 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1th7 n LEU 62 CO 0.61 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1th7 n GLY 63 N 1.60 1.00 3.77 -0.72 0.00 -1.14 -4.70 105.19 104.99 1th7 n GLY 63 Ca 0.00 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 4.97 0.01 2.61 2.01 -1.26 -0.86 115.64 123.11 1th7 s THR 64 Ca 0.00 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.16 1th7 s THR 64 Cb 0.00 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1th7 s THR 64 CO 0.00 0.42 -0.05 0.27 -0.69 0.00 0.00 174.62 174.58 1th7 s ILE 65 N -0.18 0.33 -0.25 1.82 -4.36 0.10 -4.99 121.20 113.67 1th7 s ILE 65 Ca 0.29 -0.48 -0.07 0.00 -0.26 0.00 0.00 60.65 60.14 1th7 s ILE 65 Cb -0.18 -0.34 -0.02 0.00 1.25 0.00 0.00 42.46 43.17 1th7 s ILE 65 CO 0.16 -0.10 0.06 -0.69 0.24 0.00 0.00 174.94 174.61 1th7 s VAL 66 N -0.57 4.20 -0.19 8.37 1.01 -1.26 -1.28 120.40 130.68 1th7 s VAL 66 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1th7 s VAL 66 Cb -0.05 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1th7 s VAL 66 CO -0.00 0.33 0.02 -0.63 0.00 0.00 0.00 175.10 174.82 1th7 s ILE 67 N 1.59 4.24 -0.10 2.22 1.01 0.62 -4.98 121.20 125.80 1th7 s ILE 67 Ca 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 1th7 s ILE 67 Cb -0.15 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 1th7 s ILE 67 CO 0.03 0.43 1.20 -0.60 0.00 0.00 0.00 174.94 176.00 1th7 s ARG 68 N 0.80 4.31 0.55 2.79 3.52 -1.26 -1.20 118.95 128.47 1th7 s ARG 68 Ca 0.01 1.64 0.27 0.00 -0.13 0.00 0.00 55.73 57.52 1th7 s ARG 68 Cb -0.14 -3.63 1.46 0.00 -1.56 0.00 0.00 34.95 31.08 1th7 s ARG 68 CO 0.02 -0.53 1.97 0.78 -0.81 0.00 0.00 175.30 176.73 1th7 h GLY 69 N 8.74 0.00 2.00 8.12 0.00 -1.75 -2.39 103.07 117.80 1th7 h GLY 69 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1th7 h GLY 69 CO 0.91 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.79 1th7 n ASP 70 N -4.14 0.50 -0.58 0.19 2.03 -1.26 -1.16 116.55 112.12 1th7 n ASP 70 Ca 0.10 0.72 0.08 0.00 0.52 0.00 0.00 54.79 56.21 1th7 n ASP 70 Cb 0.63 -0.79 0.05 0.00 -0.72 0.00 0.00 41.12 40.29 1th7 n ASP 70 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th7 n ASN 71 N -2.16 2.18 -4.72 1.67 3.02 -0.90 -4.97 115.26 109.38 1th7 n ASN 71 Ca -0.01 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.53 1th7 n ASN 71 Cb 0.04 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.44 4.42 -0.21 2.41 1.01 -0.31 -0.89 120.40 125.39 1th7 s VAL 72 Ca 0.18 1.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 1th7 s VAL 72 Cb 0.13 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1th7 s VAL 72 CO 0.24 0.18 -0.25 -0.38 0.00 0.00 0.00 175.10 174.89 1th7 n ILE 73 N 3.55 1.50 -3.65 2.22 5.41 0.33 -4.91 119.36 123.81 1th7 n ILE 73 Ca 0.06 -0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1th7 n ILE 73 Cb 0.49 -2.15 -0.05 0.00 -0.71 0.00 0.00 39.64 37.22 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 -7.81 0.45 -0.06 1.39 0.05 -1.20 -5.00 118.68 106.50 1th7 s LEU 74 Ca -0.30 -0.30 0.03 0.00 0.05 0.00 0.00 54.13 53.61 1th7 s LEU 74 Cb 0.08 1.79 0.00 0.00 -2.05 0.00 0.00 46.19 46.01 1th7 s LEU 74 CO 0.44 -0.83 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.63 1th7 s ILE 75 N -3.67 1.32 -0.09 1.48 1.01 -1.26 -1.25 121.20 118.74 1th7 s ILE 75 Ca 0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1th7 s ILE 75 Cb 0.02 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1th7 s ILE 75 CO -0.11 0.39 -0.01 -0.55 0.00 0.00 0.00 174.94 174.66 1th7 s SER 76 N 0.33 1.75 0.24 3.58 0.15 0.26 -4.97 113.70 115.04 1th7 s SER 76 Ca -0.10 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1th7 s SER 76 Cb -0.14 -0.50 -0.10 0.00 -1.71 0.00 0.00 66.02 63.57 1th7 s SER 76 CO 0.03 -0.19 1.51 -2.84 1.20 0.00 0.00 173.24 172.96 1th7 s PRO 77 N 1.93 4.21 0.00 5.44 0.02 -1.26 -0.52 135.00 144.82 1th7 s PRO 77 Ca 0.05 2.40 0.26 0.00 0.02 0.00 0.00 61.00 63.72 1th7 s PRO 77 Cb -0.13 -3.09 0.58 0.00 0.02 0.00 0.00 34.50 31.88 1th7 s PRO 77 CO -0.06 -0.52 1.48 1.28 -0.33 0.00 0.00 177.00 178.85