#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 3.32 0.22 4.61 0.00 -1.26 -4.91 121.76 123.75 1th7 s ALA 2 Ca 0.00 1.42 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 1th7 s ALA 2 Cb 0.00 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1th7 s ALA 2 CO 0.00 -1.05 1.70 -1.33 0.00 0.00 0.00 175.76 175.07 1th7 n MET 3 N 0.06 2.75 -1.94 0.00 0.00 -0.28 -4.88 117.12 112.83 1th7 n MET 3 Ca 0.04 0.99 -0.42 0.00 0.00 0.00 0.00 57.70 58.31 1th7 n MET 3 Cb 0.42 -2.82 -0.03 0.00 0.00 0.00 0.00 33.22 30.78 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 1.05 6.60 0.47 7.83 3.84 -1.26 -4.88 114.94 128.59 1th7 s ASN 4 Ca 0.73 2.56 0.30 0.00 0.21 0.00 0.00 52.86 56.66 1th7 s ASN 4 Cb -0.51 -2.58 1.39 0.00 -0.55 0.00 0.00 41.25 39.00 1th7 s ASN 4 CO 0.35 -0.84 1.73 0.15 -2.79 0.00 0.00 177.10 175.69 1th7 h PHE 5 N 7.41 0.35 -0.11 0.43 3.04 -2.02 0.15 116.94 126.20 1th7 h PHE 5 Ca -0.43 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1th7 h PHE 5 Cb 1.20 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1th7 h PHE 5 CO 0.70 -0.03 0.00 1.28 -2.02 0.00 0.00 178.31 178.24 1th7 n LEU 6 N -4.43 3.02 -3.78 0.59 4.77 -1.26 -4.62 117.00 111.29 1th7 n LEU 6 Ca 0.30 -1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1th7 n LEU 6 Cb 1.25 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1th7 n LEU 6 CO 0.31 0.54 2.25 0.00 -1.33 0.00 0.00 177.39 179.16 1th7 n ALA 7 N 1.32 5.56 -0.33 -1.18 0.00 0.04 -4.80 120.51 121.13 1th7 n ALA 7 Ca 0.15 -4.15 0.15 0.00 0.00 0.00 0.00 53.44 49.59 1th7 n ALA 7 Cb 0.59 -3.16 0.34 0.00 0.00 0.00 0.00 19.45 17.22 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 5.74 0.52 -0.55 0.00 5.08 -1.81 -2.69 114.58 120.86 1th7 h GLU 8 Ca 0.48 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1th7 h GLU 8 Cb 0.61 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1th7 h GLU 8 CO 1.71 0.34 0.33 1.15 -1.00 0.00 0.00 179.01 181.54 1th7 h THR 9 N 0.53 1.17 -0.64 1.13 2.02 -1.98 0.74 112.91 115.89 1th7 h THR 9 Ca 0.59 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 1th7 h THR 9 Cb 1.09 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1th7 h THR 9 CO -0.48 0.18 0.11 0.00 0.37 0.00 0.00 175.52 175.70 1th7 h ALA 10 N 1.16 0.84 -0.57 6.16 0.00 -1.90 -1.82 119.26 123.13 1th7 h ALA 10 Ca 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1th7 h ALA 10 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1th7 h ALA 10 CO -0.04 0.60 0.18 1.25 0.00 0.00 0.00 179.25 181.24 1th7 h HIS 11 N 0.96 0.93 -0.55 0.00 6.17 -1.31 -2.82 115.15 118.53 1th7 h HIS 11 Ca 0.19 -0.09 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 1th7 h HIS 11 Cb 0.42 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 30.06 1th7 h HIS 11 CO 0.03 0.78 0.16 0.87 0.71 0.00 0.00 177.93 180.48 1th7 h LYS 12 N 0.81 0.83 -0.64 5.26 1.57 -0.58 -0.13 116.57 123.68 1th7 h LYS 12 Ca 0.19 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1th7 h LYS 12 Cb 0.29 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1th7 h LYS 12 CO -0.01 0.72 0.34 0.28 -0.57 0.00 0.00 179.45 180.22 1th7 h VAL 13 N 0.80 1.21 -0.25 0.50 2.07 -1.09 0.16 116.25 119.65 1th7 h VAL 13 Ca 0.18 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1th7 h VAL 13 Cb 0.25 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1th7 h VAL 13 CO -0.01 0.23 -0.24 -0.07 0.02 0.00 0.00 177.57 177.50 1th7 h LEU 14 N 0.87 0.64 -0.58 2.57 3.38 -1.29 -2.03 115.31 118.87 1th7 h LEU 14 Ca 0.22 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1th7 h LEU 14 Cb 0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1th7 h LEU 14 CO -0.03 0.98 0.34 0.00 0.09 0.00 0.00 178.44 179.81 1th7 h ALA 15 N 0.68 0.75 0.00 1.53 0.00 -0.75 -1.45 119.26 120.02 1th7 h ALA 15 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1th7 h ALA 15 Cb 0.80 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1th7 h ALA 15 CO 0.06 0.05 -0.13 0.93 0.00 0.00 0.00 179.25 180.15 1th7 h GLU 16 N 0.66 0.00 0.00 0.00 5.08 -0.64 -2.64 114.58 117.04 1th7 h GLU 16 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1th7 h GLU 16 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1th7 h GLU 16 CO -0.12 0.13 -0.29 0.43 -1.00 0.00 0.00 179.01 178.16 1th7 n SER 17 N -3.37 0.69 -4.71 1.42 7.64 -0.60 -4.83 113.62 109.87 1th7 n SER 17 Ca -0.00 0.33 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 1th7 n SER 17 Cb 0.33 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1th7 n SER 17 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1th7 n LEU 18 N -2.10 3.77 -0.69 -3.43 7.94 -0.87 -1.25 117.00 120.37 1th7 n LEU 18 Ca 0.05 1.12 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 1th7 n LEU 18 Cb 0.42 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 42.81 1th7 n LEU 18 CO 0.33 -0.09 -0.09 0.59 -1.11 0.00 0.00 177.39 177.02 1th7 n ASN 19 N 2.59 -4.33 -4.38 1.96 5.03 0.25 -4.97 115.26 111.42 1th7 n ASN 19 Ca 0.12 0.22 -0.19 0.00 0.87 0.00 0.00 54.58 55.60 1th7 n ASN 19 Cb 0.34 -2.62 -0.10 0.00 -1.02 0.00 0.00 39.78 36.38 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 -2.75 2.26 0.26 6.41 0.01 -0.38 -4.88 114.94 115.88 1th7 s ASN 20 Ca 0.00 -1.21 -0.29 0.00 -0.71 0.00 0.00 52.86 50.64 1th7 s ASN 20 Cb 0.00 -0.07 -0.09 0.00 0.41 0.00 0.00 41.25 41.49 1th7 s ASN 20 CO 0.00 -0.44 1.12 -0.22 -1.51 0.00 0.00 177.10 176.05 1th7 s LEU 21 N -3.37 4.53 0.05 0.60 2.96 -1.26 -1.29 118.68 120.90 1th7 s LEU 21 Ca 0.29 2.27 -0.04 0.00 -0.22 0.00 0.00 54.13 56.43 1th7 s LEU 21 Cb 0.05 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1th7 s LEU 21 CO 0.10 -0.19 0.06 0.68 -1.32 0.00 0.00 176.35 175.69 1th7 s VAL 22 N -0.99 0.17 -0.14 1.68 -7.23 -0.20 -1.12 120.40 112.58 1th7 s VAL 22 Ca 0.46 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1th7 s VAL 22 Cb -0.32 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1th7 s VAL 22 CO 0.41 -0.76 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.09 1th7 s LEU 23 N -2.56 2.66 -0.19 1.32 2.96 0.31 -1.88 118.68 121.30 1th7 s LEU 23 Ca 0.01 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1th7 s LEU 23 Cb 0.03 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1th7 s LEU 23 CO -0.08 0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.24 1th7 s VAL 24 N 0.53 2.49 -0.17 1.68 1.01 0.84 -1.12 120.40 125.65 1th7 s VAL 24 Ca -0.09 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1th7 s VAL 24 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1th7 s VAL 24 CO 0.04 0.50 0.49 -0.75 0.00 0.00 0.00 175.10 175.38 1th7 s LYS 25 N 1.29 4.24 0.38 2.72 2.47 -0.26 -1.73 119.74 128.85 1th7 s LYS 25 Ca 0.04 0.40 0.08 0.00 -1.56 0.00 0.00 55.97 54.93 1th7 s LYS 25 Cb -0.14 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 1th7 s LYS 25 CO -0.09 -0.03 0.21 -0.51 0.16 0.00 0.00 175.35 175.09 1th7 s LEU 26 N 1.26 3.25 0.91 5.43 1.43 0.44 -0.41 118.68 130.99 1th7 s LEU 26 Ca 0.24 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1th7 s LEU 26 Cb -0.15 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.49 1th7 s LEU 26 CO 0.10 -0.46 1.11 -0.54 0.23 0.00 0.00 176.35 176.79 1th7 s LYS 27 N -3.93 1.11 -0.04 1.70 1.02 -0.51 -3.08 119.74 116.01 1th7 s LYS 27 Ca 0.41 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1th7 s LYS 27 Cb -0.01 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1th7 s LYS 27 CO 0.24 -2.48 0.00 0.41 -0.92 0.00 0.00 175.35 172.59 1th7 n GLY 28 N -0.21 0.47 3.41 -3.33 0.00 -1.26 -3.53 105.19 100.74 1th7 n GLY 28 Ca 0.10 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1th7 n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th7 n ASN 29 N 0.48 -6.20 -4.79 1.61 2.85 -1.21 -5.01 115.26 103.00 1th7 n ASN 29 Ca -0.00 -0.47 -0.29 0.00 -0.11 0.00 0.00 54.58 53.71 1th7 n ASN 29 Cb 0.03 -4.86 -0.06 0.00 1.24 0.00 0.00 39.78 36.13 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1th7 s LYS 30 N -6.14 2.92 0.01 1.20 -0.14 -1.18 -4.99 119.74 111.42 1th7 s LYS 30 Ca 0.51 -0.74 -0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1th7 s LYS 30 Cb -0.22 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1th7 s LYS 30 CO 0.63 0.54 -0.01 -1.21 -0.76 0.00 0.00 175.35 174.53 1th7 s GLU 31 N -2.66 0.18 0.01 1.68 2.02 -1.26 -0.42 118.70 118.25 1th7 s GLU 31 Ca 0.30 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1th7 s GLU 31 Cb -0.11 0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 1th7 s GLU 31 CO 0.23 -0.03 -0.02 0.14 0.02 0.00 0.00 175.26 175.60 1th7 s VAL 32 N -0.84 0.07 0.09 2.63 -7.23 -0.70 -1.69 120.40 112.74 1th7 s VAL 32 Ca -0.09 -0.56 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1th7 s VAL 32 Cb -0.06 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 1th7 s VAL 32 CO -0.01 -0.31 -0.18 0.00 -0.31 0.00 0.00 175.10 174.30 1th7 s ARG 33 N -0.90 1.01 0.00 4.82 1.70 -0.84 -0.11 118.95 124.62 1th7 s ARG 33 Ca -0.10 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 1th7 s ARG 33 Cb -0.06 -1.14 0.00 0.00 -0.57 0.00 0.00 34.95 33.17 1th7 s ARG 33 CO -0.01 0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.88 1th7 n GLY 34 N 1.09 -1.54 3.65 3.88 0.00 -0.79 -1.00 105.19 110.48 1th7 n GLY 34 Ca -0.20 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.72 4.22 -0.08 1.61 -1.94 -0.45 -1.03 119.30 119.91 1th7 s MET 35 Ca 0.00 0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 54.54 1th7 s MET 35 Cb 0.00 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 1th7 s MET 35 CO 0.00 -0.38 1.48 -1.17 -0.01 0.00 0.00 175.02 174.94 1th7 s LEU 36 N 2.35 4.27 -0.00 -0.03 2.96 -0.41 -0.95 118.68 126.87 1th7 s LEU 36 Ca 0.34 2.03 0.05 0.00 -0.22 0.00 0.00 54.13 56.33 1th7 s LEU 36 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1th7 s LEU 36 CO 0.10 -0.83 0.19 0.54 -1.32 0.00 0.00 176.35 175.02 1th7 n ARG 37 N 6.64 4.75 -3.56 1.98 5.12 0.18 0.87 116.66 132.64 1th7 n ARG 37 Ca 0.15 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 1th7 n ARG 37 Cb 0.44 -0.77 -0.05 0.00 -1.16 0.00 0.00 32.46 30.91 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 -1.59 -0.42 0.09 0.55 0.15 -1.18 -4.92 113.70 106.38 1th7 s SER 38 Ca 0.01 0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.84 1th7 s SER 38 Cb 0.03 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1th7 s SER 38 CO 0.19 -0.41 0.64 -0.72 1.20 0.00 0.00 173.24 174.14 1th7 s TYR 39 N -1.29 -0.55 0.25 3.44 -0.85 -1.25 -2.00 117.35 115.10 1th7 s TYR 39 Ca -0.03 0.51 0.05 0.00 -0.52 0.00 0.00 57.07 57.08 1th7 s TYR 39 Cb -0.00 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1th7 s TYR 39 CO 0.02 -0.77 0.24 -0.40 -1.52 0.00 0.00 175.55 173.12 1th7 n ASP 40 N -0.05 -0.61 0.25 -0.18 5.68 -1.06 -4.95 116.55 115.62 1th7 n ASP 40 Ca -0.17 -2.64 0.17 0.00 -0.50 0.00 0.00 54.79 51.65 1th7 n ASP 40 Cb 0.63 1.37 0.87 0.00 -1.14 0.00 0.00 41.12 42.85 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 -0.37 0.11 -0.00 -1.92 -0.24 115.11 112.70 1th7 h GLN 41 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1th7 h GLN 41 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1th7 h GLN 41 CO 0.26 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.81 1th7 n HIS 42 N -2.69 0.47 -2.25 0.06 8.25 -1.26 -1.13 115.22 116.67 1th7 n HIS 42 Ca -0.02 -0.23 -0.14 0.00 -0.26 0.00 0.00 57.72 57.07 1th7 n HIS 42 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 1.49 -1.13 -2.51 -0.41 2.81 -0.10 -4.32 117.12 112.95 1th7 n MET 43 Ca 0.19 0.69 -0.41 0.00 -1.81 0.00 0.00 57.70 56.36 1th7 n MET 43 Cb 0.61 -4.98 -0.04 0.00 -0.71 0.00 0.00 33.22 28.11 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 -2.37 7.24 0.21 7.83 0.01 -1.26 -3.60 114.94 123.00 1th7 s ASN 44 Ca 0.00 2.05 0.05 0.00 -0.71 0.00 0.00 52.86 54.24 1th7 s ASN 44 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1th7 s ASN 44 CO 0.00 -0.27 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.51 1th7 s LEU 45 N -0.02 2.36 -0.07 0.60 1.43 -0.21 -2.57 118.68 120.20 1th7 s LEU 45 Ca 0.51 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1th7 s LEU 45 Cb -0.29 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1th7 s LEU 45 CO 0.33 -0.41 -0.08 -0.69 0.23 0.00 0.00 176.35 175.73 1th7 s VAL 46 N -3.30 0.92 0.01 -1.59 1.01 -0.85 0.05 120.40 116.66 1th7 s VAL 46 Ca 0.25 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1th7 s VAL 46 Cb 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1th7 s VAL 46 CO 0.07 0.32 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 1th7 s LEU 47 N 1.06 2.10 0.24 3.92 1.43 -0.40 -0.65 118.68 126.38 1th7 s LEU 47 Ca -0.08 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1th7 s LEU 47 Cb -0.14 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1th7 s LEU 47 CO -0.01 0.24 -0.08 -0.94 0.23 0.00 0.00 176.35 175.80 1th7 s SER 48 N -0.83 4.25 -1.57 2.29 1.04 -0.12 -0.73 113.70 118.02 1th7 s SER 48 Ca 0.09 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.69 1th7 s SER 48 Cb -0.09 -0.69 0.10 0.00 0.10 0.00 0.00 66.02 65.44 1th7 s SER 48 CO 0.00 0.05 0.82 -0.67 0.98 0.00 0.00 173.24 174.42 1th7 n ASP 49 N -0.49 -3.40 -4.89 7.02 4.64 -1.09 -1.34 116.55 117.00 1th7 n ASP 49 Ca -0.08 -0.90 -0.29 0.00 -1.38 0.00 0.00 54.79 52.14 1th7 n ASP 49 Cb 0.58 -3.34 -0.00 0.00 -1.04 0.00 0.00 41.12 37.32 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 -3.51 6.30 -0.01 1.67 1.04 -0.31 -4.60 113.70 114.28 1th7 s SER 50 Ca 0.57 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 1th7 s SER 50 Cb -0.30 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1th7 s SER 50 CO 0.88 -0.65 0.13 -0.70 0.98 0.00 0.00 173.24 173.88 1th7 s GLU 51 N -4.75 0.42 0.15 4.02 2.12 -0.17 0.09 118.70 120.57 1th7 s GLU 51 Ca 0.51 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 55.29 1th7 s GLU 51 Cb -0.10 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.38 1th7 s GLU 51 CO 0.46 -0.09 0.76 -1.21 -0.54 0.00 0.00 175.26 174.64 1th7 s GLU 52 N -1.10 4.54 -0.89 4.30 2.02 0.05 -1.99 118.70 125.63 1th7 s GLU 52 Ca -0.12 1.12 -0.18 0.00 0.02 0.00 0.00 54.97 55.82 1th7 s GLU 52 Cb -0.06 -3.27 0.15 0.00 0.10 0.00 0.00 34.13 31.04 1th7 s GLU 52 CO 0.01 0.54 1.04 0.42 0.02 0.00 0.00 175.26 177.29 1th7 s ILE 53 N -1.00 4.90 0.31 -1.63 1.09 -0.68 -3.86 121.20 120.32 1th7 s ILE 53 Ca 0.36 -1.70 -0.27 0.00 -1.10 0.00 0.00 60.65 57.93 1th7 s ILE 53 Cb -0.23 -4.71 -0.10 0.00 -1.06 0.00 0.00 42.46 36.37 1th7 s ILE 53 CO 0.25 -1.40 0.95 -1.10 -0.10 0.00 0.00 174.94 173.55 1th7 s GLN 54 N 2.22 4.62 0.11 2.79 -1.52 -1.26 -4.64 119.66 121.98 1th7 s GLN 54 Ca 0.29 1.38 -0.15 0.00 -1.95 0.00 0.00 55.36 54.93 1th7 s GLN 54 Cb -0.07 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.76 1th7 s GLN 54 CO -0.08 0.31 1.46 0.77 -0.25 0.00 0.00 175.29 177.49 1th7 h SER 55 N 3.35 0.74 0.00 5.90 0.02 -1.95 -3.15 113.55 118.46 1th7 h SER 55 Ca -0.46 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1th7 h SER 55 Cb 1.19 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1th7 h SER 55 CO 0.65 1.01 0.00 -0.90 -1.14 0.00 0.00 176.83 176.46 1th7 n ASP 56 N -4.31 4.62 0.00 3.07 5.75 -1.26 -4.87 116.55 119.56 1th7 n ASP 56 Ca -0.03 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1th7 n ASP 56 Cb 0.42 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 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 1.42 0.65 0.89 6.12 0.00 -1.19 -4.92 105.19 108.16 1th7 n GLY 57 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1th7 n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th7 n SER 58 N 1.69 -0.08 -4.89 1.61 3.41 -1.26 -4.59 113.62 109.50 1th7 n SER 58 Ca 0.00 0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 58.57 1th7 n SER 58 Cb 0.00 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 1th7 n SER 58 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1th7 s GLY 59 N -0.07 2.16 -0.34 5.00 0.00 -1.26 -4.07 107.32 108.74 1th7 s GLY 59 Ca 0.22 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 44.15 1th7 s GLY 59 CO 0.15 -0.68 0.14 1.25 0.00 0.00 0.00 173.10 173.95 1th7 s LYS 60 N -1.99 0.82 0.23 2.90 2.47 -1.25 -5.00 119.74 117.91 1th7 s LYS 60 Ca 0.28 -1.30 -0.30 0.00 -1.56 0.00 0.00 55.97 53.09 1th7 s LYS 60 Cb -0.13 -2.00 -0.09 0.00 -1.46 0.00 0.00 37.83 34.15 1th7 s LYS 60 CO 0.19 -1.04 1.32 0.15 0.16 0.00 0.00 175.35 176.13 1th7 s LYS 61 N 1.30 4.38 0.00 4.03 1.02 -1.26 -0.77 119.74 128.44 1th7 s LYS 61 Ca 0.12 2.10 0.07 0.00 0.02 0.00 0.00 55.97 58.28 1th7 s LYS 61 Cb -0.19 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1th7 s LYS 61 CO -0.18 -0.25 0.54 1.28 -0.92 0.00 0.00 175.35 175.83 1th7 n LEU 62 N 2.31 1.05 0.00 3.17 4.77 0.11 -4.92 117.00 123.48 1th7 n LEU 62 Ca 0.05 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1th7 n LEU 62 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1th7 n LEU 62 CO 0.58 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1th7 n GLY 63 N 0.78 2.07 3.74 -0.72 0.00 -1.15 -4.62 105.19 105.28 1th7 n GLY 63 Ca 0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 4.90 0.02 2.61 2.01 -1.26 -1.16 115.64 122.76 1th7 s THR 64 Ca 0.00 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.49 1th7 s THR 64 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1th7 s THR 64 CO 0.00 0.33 -0.06 0.27 -0.69 0.00 0.00 174.62 174.47 1th7 s ILE 65 N 0.28 0.45 -0.24 1.82 -4.36 0.09 -4.99 121.20 114.25 1th7 s ILE 65 Ca 0.37 -0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 60.10 1th7 s ILE 65 Cb -0.19 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.05 1th7 s ILE 65 CO 0.20 -0.11 0.03 -0.69 0.24 0.00 0.00 174.94 174.60 1th7 s VAL 66 N -0.69 3.95 -0.21 8.37 1.01 -1.26 -1.28 120.40 130.30 1th7 s VAL 66 Ca -0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1th7 s VAL 66 Cb -0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1th7 s VAL 66 CO 0.00 0.37 0.05 -0.63 0.00 0.00 0.00 175.10 174.90 1th7 s ILE 67 N 1.53 4.45 -0.09 2.22 1.01 0.11 -4.97 121.20 125.46 1th7 s ILE 67 Ca 0.06 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1th7 s ILE 67 Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1th7 s ILE 67 CO 0.01 0.41 1.19 -0.60 0.00 0.00 0.00 174.94 175.96 1th7 s ARG 68 N 0.89 4.33 0.58 2.79 3.52 -1.26 -1.04 118.95 128.75 1th7 s ARG 68 Ca 0.03 1.64 0.28 0.00 -0.13 0.00 0.00 55.73 57.55 1th7 s ARG 68 Cb -0.14 -3.60 1.53 0.00 -1.56 0.00 0.00 34.95 31.18 1th7 s ARG 68 CO 0.02 -0.50 2.00 0.78 -0.81 0.00 0.00 175.30 176.79 1th7 h GLY 69 N 8.55 0.00 2.00 8.12 0.00 -1.75 -2.17 103.07 117.83 1th7 h GLY 69 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1th7 h GLY 69 CO 0.90 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.64 1th7 h ASP 70 N 0.00 0.00 0.20 0.19 1.82 -1.87 -0.80 116.42 115.95 1th7 h ASP 70 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1th7 h ASP 70 Cb 0.86 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1th7 h ASP 70 CO -0.00 0.00 -0.46 0.59 -1.61 0.00 0.00 179.24 177.76 1th7 n ASN 71 N -3.01 1.15 -4.72 2.28 3.02 -0.81 -4.93 115.26 108.23 1th7 n ASN 71 Ca -0.02 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1th7 n ASN 71 Cb 0.09 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.66 4.86 -0.21 2.41 1.01 -0.31 -1.43 120.40 124.07 1th7 s VAL 72 Ca 0.18 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.85 1th7 s VAL 72 Cb 0.18 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1th7 s VAL 72 CO 0.61 0.23 -0.31 -0.38 0.00 0.00 0.00 175.10 175.26 1th7 n ILE 73 N 3.60 1.37 -4.00 2.22 5.41 0.45 -4.93 119.36 123.47 1th7 n ILE 73 Ca 0.02 -0.17 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 1th7 n ILE 73 Cb 0.51 -1.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.36 1th7 n ILE 73 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1th7 s LEU 74 N -7.46 2.26 -0.07 1.39 1.43 -1.16 -5.00 118.68 110.07 1th7 s LEU 74 Ca -0.31 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1th7 s LEU 74 Cb 0.10 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.39 1th7 s LEU 74 CO 0.41 -0.31 -0.12 -0.63 0.23 0.00 0.00 176.35 175.93 1th7 s ILE 75 N -1.64 1.12 -0.05 -0.59 1.01 -1.26 -1.10 121.20 118.68 1th7 s ILE 75 Ca -0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1th7 s ILE 75 Cb -0.09 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1th7 s ILE 75 CO -0.01 0.35 0.01 -0.55 0.00 0.00 0.00 174.94 174.74 1th7 s SER 76 N 0.72 0.97 0.27 3.58 0.15 -0.27 -4.98 113.70 114.13 1th7 s SER 76 Ca -0.14 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 1th7 s SER 76 Cb -0.16 -0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 63.78 1th7 s SER 76 CO 0.03 -0.16 1.42 -2.84 1.20 0.00 0.00 173.24 172.89 1th7 s PRO 77 N 1.59 4.27 0.00 5.44 0.02 -1.26 -0.53 135.00 144.53 1th7 s PRO 77 Ca -0.02 2.31 0.22 0.00 0.02 0.00 0.00 61.00 63.53 1th7 s PRO 77 Cb -0.13 -3.09 0.17 0.00 0.02 0.00 0.00 34.50 31.47 1th7 s PRO 77 CO -0.03 -0.39 1.18 1.28 -0.33 0.00 0.00 177.00 178.71