#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 2.87 0.20 4.61 0.00 -1.26 -4.91 121.76 123.27 1th7 s ALA 2 Ca 0.00 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.97 1th7 s ALA 2 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 1th7 s ALA 2 CO 0.00 -1.32 1.62 -1.64 0.00 0.00 0.00 175.76 174.43 1th7 s MET 3 N -2.84 4.17 0.21 0.00 1.00 -0.21 -4.90 119.30 116.73 1th7 s MET 3 Ca 0.70 2.48 -0.31 0.00 0.00 0.00 0.00 55.69 58.55 1th7 s MET 3 Cb -0.40 -3.11 -0.11 0.00 0.00 0.00 0.00 34.83 31.21 1th7 s MET 3 CO 0.48 -0.65 1.62 1.21 0.00 0.00 0.00 175.02 177.68 1th7 s ASN 4 N 1.04 6.48 0.42 3.03 3.84 -1.26 -4.89 114.94 123.60 1th7 s ASN 4 Ca 0.70 2.76 0.21 0.00 0.21 0.00 0.00 52.86 56.75 1th7 s ASN 4 Cb -0.46 -2.60 1.18 0.00 -0.55 0.00 0.00 41.25 38.81 1th7 s ASN 4 CO 0.34 -0.88 1.79 0.15 -2.79 0.00 0.00 177.10 175.70 1th7 h PHE 5 N 6.39 0.54 -0.26 0.43 3.57 -2.02 -1.16 116.94 124.43 1th7 h PHE 5 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1th7 h PHE 5 Cb 1.21 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1th7 h PHE 5 CO 0.63 0.06 0.00 1.28 -2.23 0.00 0.00 178.31 178.05 1th7 n LEU 6 N -4.55 2.80 -3.75 0.59 4.77 -1.26 -4.63 117.00 110.97 1th7 n LEU 6 Ca 0.25 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 1th7 n LEU 6 Cb 0.92 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1th7 n LEU 6 CO 0.28 0.58 2.33 0.00 -1.33 0.00 0.00 177.39 179.25 1th7 n ALA 7 N 1.08 5.69 -0.29 -1.18 0.00 -0.44 -4.79 120.51 120.58 1th7 n ALA 7 Ca 0.18 -4.10 0.17 0.00 0.00 0.00 0.00 53.44 49.68 1th7 n ALA 7 Cb 0.51 -3.17 0.44 0.00 0.00 0.00 0.00 19.45 17.23 1th7 n ALA 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1th7 h GLU 8 N 5.68 0.53 -0.71 0.00 4.11 -1.83 -2.17 114.58 120.19 1th7 h GLU 8 Ca 0.51 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.86 1th7 h GLU 8 Cb 0.58 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1th7 h GLU 8 CO 1.71 0.35 0.26 1.15 0.07 0.00 0.00 179.01 182.56 1th7 h THR 9 N 0.54 1.25 -0.39 -1.06 2.02 -1.98 0.19 112.91 113.48 1th7 h THR 9 Ca 0.52 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1th7 h THR 9 Cb 1.10 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1th7 h THR 9 CO -0.26 0.32 -0.11 0.00 0.37 0.00 0.00 175.52 175.84 1th7 h ALA 10 N 1.12 0.54 -0.73 6.16 0.00 -1.82 -2.11 119.26 122.43 1th7 h ALA 10 Ca 0.23 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1th7 h ALA 10 Cb 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1th7 h ALA 10 CO -0.02 0.42 0.23 1.25 0.00 0.00 0.00 179.25 181.13 1th7 h HIS 11 N 0.57 1.18 -0.59 0.00 6.17 -1.19 -2.81 115.15 118.48 1th7 h HIS 11 Ca 0.10 -0.12 0.03 0.00 0.71 0.00 0.00 60.37 61.09 1th7 h HIS 11 Cb 0.64 -0.34 -0.04 0.00 2.52 0.00 0.00 27.41 30.19 1th7 h HIS 11 CO 0.05 0.93 0.35 -0.22 0.71 0.00 0.00 177.93 179.76 1th7 h LYS 12 N 1.09 0.68 -0.39 5.26 3.64 -0.42 0.60 116.57 127.03 1th7 h LYS 12 Ca 0.24 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1th7 h LYS 12 Cb 0.31 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1th7 h LYS 12 CO -0.01 0.45 0.23 0.28 -2.27 0.00 0.00 179.45 178.13 1th7 h VAL 13 N 0.70 1.05 -0.41 2.00 2.07 -1.15 0.58 116.25 121.08 1th7 h VAL 13 Ca 0.24 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1th7 h VAL 13 Cb 0.04 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1th7 h VAL 13 CO -0.11 0.09 0.05 -0.07 0.02 0.00 0.00 177.57 177.54 1th7 h LEU 14 N 0.47 0.66 -0.97 2.57 3.38 -1.24 -1.27 115.31 118.91 1th7 h LEU 14 Ca 0.15 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1th7 h LEU 14 Cb -0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1th7 h LEU 14 CO -0.07 0.77 0.64 0.00 0.09 0.00 0.00 178.44 179.87 1th7 h ALA 15 N 0.92 1.24 0.00 1.53 0.00 -0.53 -1.40 119.26 121.02 1th7 h ALA 15 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1th7 h ALA 15 Cb 0.40 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1th7 h ALA 15 CO 0.01 0.61 -0.38 0.93 0.00 0.00 0.00 179.25 180.42 1th7 h GLU 16 N 1.30 0.00 0.00 0.00 5.08 -0.68 -2.95 114.58 117.33 1th7 h GLU 16 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1th7 h GLU 16 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1th7 h GLU 16 CO -0.09 0.38 -0.03 0.77 -1.00 0.00 0.00 179.01 179.05 1th7 h SER 17 N 0.00 0.00 -2.66 1.42 0.02 -0.20 -3.46 113.55 108.67 1th7 h SER 17 Ca -0.00 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 1th7 h SER 17 Cb 0.84 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.46 1th7 h SER 17 CO 0.05 0.00 0.73 -0.11 -1.14 0.00 0.00 176.83 176.36 1th7 n LEU 18 N -2.89 3.34 -1.59 5.07 7.94 -0.71 -1.39 117.00 126.78 1th7 n LEU 18 Ca 0.04 1.12 -0.15 0.00 -1.11 0.00 0.00 56.01 55.91 1th7 n LEU 18 Cb 0.51 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 1th7 n LEU 18 CO 0.33 -0.30 -0.18 0.59 -1.11 0.00 0.00 177.39 176.72 1th7 n ASN 19 N 2.59 -4.72 -4.20 1.96 5.03 0.20 -4.97 115.26 111.13 1th7 n ASN 19 Ca 0.13 0.11 -0.12 0.00 0.87 0.00 0.00 54.58 55.57 1th7 n ASN 19 Cb 0.32 -3.77 -0.10 0.00 -1.02 0.00 0.00 39.78 35.20 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 -2.47 1.00 0.28 6.41 0.01 -0.48 -4.89 114.94 114.80 1th7 s ASN 20 Ca 0.00 -1.14 -0.29 0.00 -0.71 0.00 0.00 52.86 50.71 1th7 s ASN 20 Cb 0.00 0.15 -0.10 0.00 0.41 0.00 0.00 41.25 41.71 1th7 s ASN 20 CO 0.00 -0.58 1.21 -0.76 -1.51 0.00 0.00 177.10 175.46 1th7 s LEU 21 N -3.12 4.48 0.12 0.60 1.43 -1.26 -1.36 118.68 119.58 1th7 s LEU 21 Ca 0.21 2.44 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 1th7 s LEU 21 Cb 0.06 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1th7 s LEU 21 CO 0.01 -0.36 0.15 0.68 0.23 0.00 0.00 176.35 177.06 1th7 s VAL 22 N -0.89 0.11 0.04 -1.59 -7.23 -0.10 -1.56 120.40 109.18 1th7 s VAL 22 Ca 0.48 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 1th7 s VAL 22 Cb -0.36 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1th7 s VAL 22 CO 0.45 -0.51 -0.26 -1.48 -0.31 0.00 0.00 175.10 172.99 1th7 s LEU 23 N -2.97 2.16 -0.13 1.32 0.05 0.08 -1.86 118.68 117.33 1th7 s LEU 23 Ca 0.16 -0.58 -0.00 0.00 0.05 0.00 0.00 54.13 53.76 1th7 s LEU 23 Cb 0.06 -1.24 0.03 0.00 -2.05 0.00 0.00 46.19 42.98 1th7 s LEU 23 CO -0.03 0.25 -0.08 -0.69 -0.55 0.00 0.00 176.35 175.25 1th7 s VAL 24 N -0.80 1.12 -0.04 1.48 1.01 0.45 -1.32 120.40 122.31 1th7 s VAL 24 Ca 0.11 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1th7 s VAL 24 Cb -0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1th7 s VAL 24 CO 0.02 0.32 0.64 -0.54 0.00 0.00 0.00 175.10 175.54 1th7 s LYS 25 N 1.66 4.39 0.37 2.72 1.02 -0.34 -1.68 119.74 127.87 1th7 s LYS 25 Ca 0.04 0.79 0.08 0.00 0.02 0.00 0.00 55.97 56.90 1th7 s LYS 25 Cb -0.13 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1th7 s LYS 25 CO -0.08 0.22 0.05 -0.51 -0.92 0.00 0.00 175.35 174.10 1th7 s LEU 26 N 0.30 3.00 0.78 3.17 1.43 0.64 -0.33 118.68 127.67 1th7 s LEU 26 Ca 0.34 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 1th7 s LEU 26 Cb -0.18 -1.30 0.07 0.00 0.03 0.00 0.00 46.19 44.81 1th7 s LEU 26 CO 0.17 -0.35 1.17 -0.54 0.23 0.00 0.00 176.35 177.04 1th7 s LYS 27 N -3.76 1.90 -0.10 1.70 1.02 -0.21 -2.66 119.74 117.62 1th7 s LYS 27 Ca 0.36 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1th7 s LYS 27 Cb 0.03 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1th7 s LYS 27 CO 0.20 -1.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.05 1th7 n GLY 28 N 0.08 0.45 3.51 -3.33 0.00 -1.26 -3.60 105.19 101.04 1th7 n GLY 28 Ca 0.12 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 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 1.84 -5.36 -4.92 1.61 3.02 -1.19 -4.99 115.26 105.27 1th7 n ASN 29 Ca -0.01 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.81 1th7 n ASN 29 Cb 0.04 -4.30 -0.02 0.00 -0.61 0.00 0.00 39.78 34.89 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 -6.21 3.03 -0.11 3.52 -0.14 -1.09 -4.96 119.74 113.78 1th7 s LYS 30 Ca 0.51 -1.06 -0.14 0.00 -1.36 0.00 0.00 55.97 53.93 1th7 s LYS 30 Cb -0.24 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1th7 s LYS 30 CO 0.63 0.19 0.36 -2.00 -0.76 0.00 0.00 175.35 173.77 1th7 s GLU 31 N -4.03 0.49 0.09 1.68 2.12 -1.26 -0.26 118.70 117.53 1th7 s GLU 31 Ca 0.40 0.35 0.04 0.00 0.36 0.00 0.00 54.97 56.11 1th7 s GLU 31 Cb -0.08 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 1th7 s GLU 31 CO 0.28 -0.09 -0.10 0.14 -0.54 0.00 0.00 175.26 174.95 1th7 s VAL 32 N -0.17 0.92 0.06 3.70 -7.23 -0.68 -1.26 120.40 115.74 1th7 s VAL 32 Ca -0.03 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1th7 s VAL 32 Cb -0.03 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1th7 s VAL 32 CO 0.02 -0.50 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.09 1th7 s ARG 33 N -2.55 0.66 0.00 4.82 0.52 -0.44 -0.41 118.95 121.55 1th7 s ARG 33 Ca 0.03 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1th7 s ARG 33 Cb -0.04 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.07 1th7 s ARG 33 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1th7 n GLY 34 N 1.03 -1.73 3.66 -3.53 0.00 -0.78 -0.73 105.19 103.10 1th7 n GLY 34 Ca -0.20 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.57 4.24 -0.04 1.61 -1.94 -0.60 -0.93 119.30 120.08 1th7 s MET 35 Ca 0.00 0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 54.64 1th7 s MET 35 Cb 0.00 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 33.18 1th7 s MET 35 CO 0.00 -0.42 1.46 -1.17 -0.01 0.00 0.00 175.02 174.87 1th7 s LEU 36 N 2.49 4.30 -0.00 -0.03 2.96 -0.46 -1.09 118.68 126.84 1th7 s LEU 36 Ca 0.36 2.09 0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1th7 s LEU 36 Cb -0.16 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1th7 s LEU 36 CO 0.10 -0.79 0.15 0.54 -1.32 0.00 0.00 176.35 175.02 1th7 n ARG 37 N 6.04 1.76 -3.56 1.98 5.12 0.46 0.58 116.66 129.04 1th7 n ARG 37 Ca 0.14 -0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.89 1th7 n ARG 37 Cb 0.43 -1.00 -0.06 0.00 -1.16 0.00 0.00 32.46 30.67 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 -2.25 -0.51 0.04 0.55 0.15 -1.18 -4.89 113.70 105.60 1th7 s SER 38 Ca -0.01 0.62 -0.23 0.00 0.70 0.00 0.00 55.95 57.02 1th7 s SER 38 Cb 0.03 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1th7 s SER 38 CO 0.21 -0.44 0.54 -0.72 1.20 0.00 0.00 173.24 174.04 1th7 s TYR 39 N -0.98 -0.46 0.27 3.44 -0.85 -1.26 -1.93 117.35 115.58 1th7 s TYR 39 Ca -0.05 0.55 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 1th7 s TYR 39 Cb -0.01 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1th7 s TYR 39 CO 0.05 -0.65 0.16 -0.40 -1.52 0.00 0.00 175.55 173.19 1th7 n ASP 40 N 0.44 0.23 0.13 -0.18 5.68 -1.05 -4.96 116.55 116.84 1th7 n ASP 40 Ca -0.18 -2.60 0.11 0.00 -0.50 0.00 0.00 54.79 51.61 1th7 n ASP 40 Cb 0.60 1.02 0.50 0.00 -1.14 0.00 0.00 41.12 42.10 1th7 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1th7 n GLN 41 N -0.56 0.15 -0.15 0.11 0.00 -1.26 -1.17 117.38 114.50 1th7 n GLN 41 Ca 0.01 0.53 0.11 0.00 0.00 0.00 0.00 57.00 57.65 1th7 n GLN 41 Cb 0.45 -1.88 0.18 0.00 0.00 0.00 0.00 30.24 28.98 1th7 n GLN 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1th7 n HIS 42 N -2.18 0.39 -2.13 2.61 8.25 -1.26 -1.04 115.22 119.85 1th7 n HIS 42 Ca 0.00 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 1th7 n HIS 42 Cb 0.12 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 1.33 -1.07 -2.44 -0.41 2.81 -0.32 -4.30 117.12 112.73 1th7 n MET 43 Ca 0.17 0.71 -0.42 0.00 -1.81 0.00 0.00 57.70 56.35 1th7 n MET 43 Cb 0.56 -4.94 -0.03 0.00 -0.71 0.00 0.00 33.22 28.10 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 -2.46 7.12 0.21 7.83 0.01 -1.26 -3.64 114.94 122.76 1th7 s ASN 44 Ca 0.00 2.07 0.04 0.00 -0.71 0.00 0.00 52.86 54.26 1th7 s ASN 44 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1th7 s ASN 44 CO 0.00 -0.40 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.40 1th7 s LEU 45 N 0.52 2.29 -0.06 0.60 1.43 -0.36 -2.54 118.68 120.56 1th7 s LEU 45 Ca 0.56 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1th7 s LEU 45 Cb -0.30 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1th7 s LEU 45 CO 0.32 -0.45 -0.10 -0.69 0.23 0.00 0.00 176.35 175.66 1th7 s VAL 46 N -3.36 0.96 0.01 -1.59 1.01 -0.81 -0.06 120.40 116.55 1th7 s VAL 46 Ca 0.26 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1th7 s VAL 46 Cb 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1th7 s VAL 46 CO 0.07 0.32 -0.20 -0.76 0.00 0.00 0.00 175.10 174.53 1th7 s LEU 47 N 0.80 2.08 0.28 3.92 1.43 -0.59 -0.40 118.68 126.21 1th7 s LEU 47 Ca -0.12 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1th7 s LEU 47 Cb -0.15 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1th7 s LEU 47 CO 0.02 0.21 -0.03 -0.94 0.23 0.00 0.00 176.35 175.84 1th7 s SER 48 N -0.72 4.31 -1.69 2.29 1.04 -0.25 -0.90 113.70 117.79 1th7 s SER 48 Ca 0.07 -0.78 -0.18 0.00 0.48 0.00 0.00 55.95 55.54 1th7 s SER 48 Cb -0.08 -0.69 0.15 0.00 0.10 0.00 0.00 66.02 65.51 1th7 s SER 48 CO 0.00 -0.05 0.81 0.47 0.98 0.00 0.00 173.24 175.45 1th7 n ASP 49 N -0.87 -3.46 -4.92 7.02 10.43 -0.93 -1.56 116.55 122.27 1th7 n ASP 49 Ca -0.06 -0.99 -0.26 0.00 2.57 0.00 0.00 54.79 56.06 1th7 n ASP 49 Cb 0.60 -2.89 0.04 0.00 1.84 0.00 0.00 41.12 40.71 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1th7 s SER 50 N -3.30 5.41 -0.02 -2.24 1.04 0.40 -4.59 113.70 110.40 1th7 s SER 50 Ca 0.73 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.73 1th7 s SER 50 Cb -0.39 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.18 1th7 s SER 50 CO 0.92 -1.19 0.15 -1.83 0.98 0.00 0.00 173.24 172.27 1th7 s GLU 51 N -5.04 0.40 -0.23 4.02 -1.05 0.09 -0.67 118.70 116.21 1th7 s GLU 51 Ca 0.55 -0.19 -0.14 0.00 -0.15 0.00 0.00 54.97 55.04 1th7 s GLU 51 Cb -0.11 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 1th7 s GLU 51 CO 0.45 -0.09 0.34 -2.00 0.95 0.00 0.00 175.26 174.91 1th7 s GLU 52 N -0.92 4.10 0.09 -4.83 2.12 0.76 -1.33 118.70 118.70 1th7 s GLU 52 Ca -0.10 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 1th7 s GLU 52 Cb -0.06 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 1th7 s GLU 52 CO 0.01 -0.09 1.04 0.42 -0.54 0.00 0.00 175.26 176.10 1th7 s ILE 53 N 1.50 4.36 0.56 -3.70 -1.09 -0.39 -0.92 121.20 121.52 1th7 s ILE 53 Ca 0.15 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 1th7 s ILE 53 Cb -0.15 -4.19 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1th7 s ILE 53 CO 0.08 0.24 0.80 -1.10 -1.23 0.00 0.00 174.94 173.72 1th7 s GLN 54 N 0.33 2.56 0.26 2.79 -1.52 0.79 -4.60 119.66 120.27 1th7 s GLN 54 Ca 0.51 -0.68 -0.01 0.00 -1.95 0.00 0.00 55.36 53.23 1th7 s GLN 54 Cb -0.25 -2.45 0.51 0.00 -0.22 0.00 0.00 33.01 30.60 1th7 s GLN 54 CO 0.30 -0.73 1.79 1.03 -0.25 0.00 0.00 175.29 177.43 1th7 h SER 55 N 0.02 0.64 0.00 5.90 0.87 -1.96 0.13 113.55 119.15 1th7 h SER 55 Ca -0.43 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1th7 h SER 55 Cb 1.29 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1th7 h SER 55 CO 0.54 0.31 0.00 -0.90 -0.53 0.00 0.00 176.83 176.24 1th7 n ASP 56 N -4.79 0.00 0.00 6.23 5.68 -1.26 -4.87 116.55 117.54 1th7 n ASP 56 Ca 0.17 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1th7 n ASP 56 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1th7 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1th7 n GLY 57 N 0.50 2.30 3.82 6.12 0.00 0.46 -5.03 105.19 113.36 1th7 n GLY 57 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.08 5.08 0.00 1.61 1.04 -1.26 -4.63 113.70 112.46 1th7 s SER 58 Ca 0.00 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1th7 s SER 58 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 1th7 s SER 58 CO 0.00 -1.61 -0.06 -0.83 0.98 0.00 0.00 173.24 171.72 1th7 s GLY 59 N -3.92 1.77 -0.24 7.32 0.00 -1.26 -0.15 107.32 110.84 1th7 s GLY 59 Ca 0.59 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1th7 s GLY 59 CO 0.54 -0.88 -0.05 1.25 0.00 0.00 0.00 173.10 173.96 1th7 s LYS 60 N -1.46 2.97 0.27 2.90 2.20 -0.09 -4.90 119.74 121.63 1th7 s LYS 60 Ca 0.18 -0.89 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 1th7 s LYS 60 Cb -0.11 -3.00 -0.12 0.00 -1.51 0.00 0.00 37.83 33.09 1th7 s LYS 60 CO 0.08 -0.35 1.60 1.63 -0.36 0.00 0.00 175.35 177.95 1th7 n LYS 61 N 4.71 2.63 0.00 4.03 5.02 -1.26 -0.17 118.16 133.11 1th7 n LYS 61 Ca -0.17 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1th7 n LYS 61 Cb 0.48 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1th7 n LYS 61 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1th7 n LEU 62 N 2.53 0.00 0.00 -0.35 4.77 0.15 -4.86 117.00 119.24 1th7 n LEU 62 Ca 0.10 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1th7 n LEU 62 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1th7 n LEU 62 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1th7 n GLY 63 N 1.59 1.10 3.75 -0.72 0.00 -1.10 -4.73 105.19 105.09 1th7 n GLY 63 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 5.19 0.03 2.61 2.01 -1.26 -0.45 115.64 123.76 1th7 s THR 64 Ca 0.00 0.80 0.03 0.00 0.31 0.00 0.00 61.69 62.82 1th7 s THR 64 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1th7 s THR 64 CO 0.00 0.41 -0.09 0.27 -0.69 0.00 0.00 174.62 174.53 1th7 s ILE 65 N 0.14 0.63 -0.25 1.82 -4.36 -0.08 -4.99 121.20 114.11 1th7 s ILE 65 Ca 0.22 -0.86 -0.05 0.00 -0.26 0.00 0.00 60.65 59.71 1th7 s ILE 65 Cb -0.15 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 42.93 1th7 s ILE 65 CO 0.09 -0.18 0.01 -0.69 0.24 0.00 0.00 174.94 174.41 1th7 s VAL 66 N -0.96 3.59 -0.21 8.37 1.01 -1.26 -1.54 120.40 129.39 1th7 s VAL 66 Ca -0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1th7 s VAL 66 Cb -0.08 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1th7 s VAL 66 CO 0.00 0.27 0.09 -0.63 0.00 0.00 0.00 175.10 174.83 1th7 s ILE 67 N 1.48 4.82 -0.10 2.22 1.01 0.91 -4.97 121.20 126.57 1th7 s ILE 67 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 1th7 s ILE 67 Cb -0.16 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1th7 s ILE 67 CO -0.01 0.41 1.20 -0.60 0.00 0.00 0.00 174.94 175.94 1th7 s ARG 68 N 0.78 4.32 0.50 2.79 3.52 -1.26 -1.23 118.95 128.36 1th7 s ARG 68 Ca 0.04 1.64 0.28 0.00 -0.13 0.00 0.00 55.73 57.56 1th7 s ARG 68 Cb -0.13 -3.62 1.37 0.00 -1.56 0.00 0.00 34.95 31.01 1th7 s ARG 68 CO 0.02 -0.52 1.85 0.78 -0.81 0.00 0.00 175.30 176.63 1th7 h GLY 69 N 8.65 0.33 1.68 8.12 0.00 -1.75 -1.78 103.07 118.32 1th7 h GLY 69 Ca -0.31 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1th7 h GLY 69 CO 0.91 -0.02 0.14 -1.80 0.00 0.00 0.00 176.54 175.77 1th7 h ASP 70 N 0.13 0.00 0.31 0.19 -0.00 -1.88 -0.98 116.42 114.20 1th7 h ASP 70 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.51 1th7 h ASP 70 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.99 1th7 h ASP 70 CO -0.08 0.00 -0.40 0.59 -0.00 0.00 0.00 179.24 179.35 1th7 n ASN 71 N -3.43 0.87 -4.71 2.28 3.02 -0.67 -4.92 115.26 107.70 1th7 n ASN 71 Ca -0.01 -0.68 -0.41 0.00 -0.03 0.00 0.00 54.58 53.44 1th7 n ASN 71 Cb 0.23 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.71 4.91 -0.22 2.41 1.01 -0.37 -1.04 120.40 124.38 1th7 s VAL 72 Ca 0.18 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1th7 s VAL 72 Cb 0.18 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 1th7 s VAL 72 CO 0.61 0.17 -0.07 -0.38 0.00 0.00 0.00 175.10 175.44 1th7 n ILE 73 N 3.92 1.51 -3.48 2.22 2.08 0.55 -4.90 119.36 121.26 1th7 n ILE 73 Ca 0.04 -0.09 -0.12 0.00 0.56 0.00 0.00 62.75 63.15 1th7 n ILE 73 Cb 0.51 -2.07 -0.03 0.00 -0.75 0.00 0.00 39.64 37.31 1th7 n ILE 73 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1th7 s LEU 74 N -7.81 -0.34 -0.03 1.39 0.05 -1.15 -5.01 118.68 105.78 1th7 s LEU 74 Ca -0.30 -0.09 0.05 0.00 0.05 0.00 0.00 54.13 53.84 1th7 s LEU 74 Cb 0.08 2.43 -0.01 0.00 -2.05 0.00 0.00 46.19 46.64 1th7 s LEU 74 CO 0.50 -0.96 -0.18 -0.63 -0.55 0.00 0.00 176.35 174.53 1th7 s ILE 75 N -3.77 1.46 -0.03 1.48 1.01 -1.26 -1.20 121.20 118.89 1th7 s ILE 75 Ca 0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 1th7 s ILE 75 Cb -0.01 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.26 1th7 s ILE 75 CO -0.12 0.42 0.03 -0.55 0.00 0.00 0.00 174.94 174.72 1th7 s SER 76 N -0.20 0.39 0.33 3.58 0.15 -0.44 -4.99 113.70 112.52 1th7 s SER 76 Ca 0.02 0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 1th7 s SER 76 Cb -0.09 -0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 1th7 s SER 76 CO 0.01 -0.16 1.12 -2.84 1.20 0.00 0.00 173.24 172.57 1th7 s PRO 77 N 1.34 4.41 0.00 5.44 0.02 -1.26 -0.74 135.00 144.21 1th7 s PRO 77 Ca -0.06 1.79 0.26 0.00 0.02 0.00 0.00 61.00 63.02 1th7 s PRO 77 Cb -0.13 -2.95 1.57 0.00 0.02 0.00 0.00 34.50 33.01 1th7 s PRO 77 CO -0.03 0.01 1.92 1.28 -0.33 0.00 0.00 177.00 179.85