#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 2.99 0.21 4.61 0.00 -1.26 -4.91 121.76 123.41 1th7 s ALA 2 Ca 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1th7 s ALA 2 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1th7 s ALA 2 CO 0.00 -1.10 1.65 -1.64 0.00 0.00 0.00 175.76 174.67 1th7 s MET 3 N -2.68 4.15 0.21 0.00 -1.94 -0.15 -4.89 119.30 114.00 1th7 s MET 3 Ca 0.66 2.53 -0.31 0.00 -1.71 0.00 0.00 55.69 56.86 1th7 s MET 3 Cb -0.38 -3.09 -0.11 0.00 2.01 0.00 0.00 34.83 33.27 1th7 s MET 3 CO 0.46 -0.68 1.59 1.21 -0.01 0.00 0.00 175.02 177.59 1th7 s ASN 4 N 1.01 6.52 0.54 3.03 3.84 -1.26 -4.88 114.94 123.75 1th7 s ASN 4 Ca 0.71 2.73 0.29 0.00 0.21 0.00 0.00 52.86 56.80 1th7 s ASN 4 Cb -0.48 -2.61 1.46 0.00 -0.55 0.00 0.00 41.25 39.08 1th7 s ASN 4 CO 0.35 -0.85 1.92 0.15 -2.79 0.00 0.00 177.10 175.88 1th7 h PHE 5 N 6.25 0.00 -0.39 0.43 3.04 -2.02 -0.77 116.94 123.49 1th7 h PHE 5 Ca -0.44 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1th7 h PHE 5 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 1th7 h PHE 5 CO 0.63 0.00 0.00 1.28 -2.02 0.00 0.00 178.31 178.20 1th7 n LEU 6 N -4.21 3.30 -3.92 0.59 4.77 -1.26 -4.69 117.00 111.58 1th7 n LEU 6 Ca 0.14 -1.59 -0.42 0.00 -0.03 0.00 0.00 56.01 54.11 1th7 n LEU 6 Cb 0.82 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1th7 n LEU 6 CO 0.37 0.74 2.17 0.00 -1.33 0.00 0.00 177.39 179.33 1th7 n ALA 7 N 1.29 5.18 -0.26 -1.18 0.00 -0.29 -4.82 120.51 120.42 1th7 n ALA 7 Ca 0.18 -4.12 0.07 0.00 0.00 0.00 0.00 53.44 49.56 1th7 n ALA 7 Cb 0.55 -3.23 0.19 0.00 0.00 0.00 0.00 19.45 16.96 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 6.08 0.20 -0.68 0.00 5.08 -1.84 -2.66 114.58 120.77 1th7 h GLU 8 Ca 0.45 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1th7 h GLU 8 Cb 0.67 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1th7 h GLU 8 CO 1.68 0.13 0.33 1.15 -1.00 0.00 0.00 179.01 181.30 1th7 h THR 9 N 0.21 1.23 -0.71 1.13 2.02 -1.99 0.52 112.91 115.32 1th7 h THR 9 Ca 0.43 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1th7 h THR 9 Cb 0.78 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1th7 h THR 9 CO -0.58 0.27 0.17 0.00 0.37 0.00 0.00 175.52 175.75 1th7 h ALA 10 N 1.15 0.95 -0.58 6.16 0.00 -1.90 -1.29 119.26 123.75 1th7 h ALA 10 Ca 0.23 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1th7 h ALA 10 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1th7 h ALA 10 CO -0.03 0.67 -0.05 1.25 0.00 0.00 0.00 179.25 181.09 1th7 h HIS 11 N 1.08 1.17 -0.52 0.00 6.17 -1.25 -2.86 115.15 118.95 1th7 h HIS 11 Ca 0.22 -0.22 0.01 0.00 0.71 0.00 0.00 60.37 61.09 1th7 h HIS 11 Cb 0.38 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 29.99 1th7 h HIS 11 CO 0.03 1.05 0.35 -0.22 0.71 0.00 0.00 177.93 179.85 1th7 h LYS 12 N 0.96 0.69 -0.59 5.26 3.64 -0.46 0.98 116.57 127.04 1th7 h LYS 12 Ca 0.16 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1th7 h LYS 12 Cb 0.62 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1th7 h LYS 12 CO 0.04 0.46 0.37 0.28 -2.27 0.00 0.00 179.45 178.32 1th7 h VAL 13 N 0.71 1.08 -0.31 2.00 2.07 -1.11 0.61 116.25 121.30 1th7 h VAL 13 Ca 0.19 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 1th7 h VAL 13 Cb -0.08 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1th7 h VAL 13 CO -0.04 0.13 -0.50 -0.07 0.02 0.00 0.00 177.57 177.11 1th7 h LEU 14 N 0.73 0.98 -0.74 2.57 3.38 -1.25 -2.22 115.31 118.77 1th7 h LEU 14 Ca 0.23 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1th7 h LEU 14 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1th7 h LEU 14 CO -0.09 1.30 0.35 0.00 0.09 0.00 0.00 178.44 180.09 1th7 h ALA 15 N 0.72 0.95 0.00 1.53 0.00 -0.46 -2.22 119.26 119.78 1th7 h ALA 15 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1th7 h ALA 15 Cb 1.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1th7 h ALA 15 CO 0.11 0.52 0.00 0.93 0.00 0.00 0.00 179.25 180.82 1th7 h GLU 16 N 1.04 0.00 0.00 0.00 5.08 -0.84 -2.91 114.58 116.95 1th7 h GLU 16 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1th7 h GLU 16 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1th7 h GLU 16 CO -0.03 0.00 -0.58 0.43 -1.00 0.00 0.00 179.01 177.83 1th7 n SER 17 N -2.65 0.66 -4.73 1.42 7.64 -0.84 -4.84 113.62 110.27 1th7 n SER 17 Ca 0.03 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1th7 n SER 17 Cb 0.36 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.01 4.09 -1.04 -3.43 7.94 -0.94 -1.43 117.00 120.17 1th7 n LEU 18 Ca 0.04 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 1th7 n LEU 18 Cb 0.42 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 1th7 n LEU 18 CO 0.36 0.08 -0.13 0.59 -1.11 0.00 0.00 177.39 177.18 1th7 n ASN 19 N 2.70 -4.30 -4.27 1.96 5.03 0.23 -4.97 115.26 111.63 1th7 n ASN 19 Ca 0.11 0.22 -0.15 0.00 0.87 0.00 0.00 54.58 55.63 1th7 n ASN 19 Cb 0.35 -3.03 -0.10 0.00 -1.02 0.00 0.00 39.78 35.98 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 -2.77 1.39 0.22 6.41 0.01 -0.52 -4.89 114.94 114.80 1th7 s ASN 20 Ca 0.00 -1.21 -0.30 0.00 -0.71 0.00 0.00 52.86 50.64 1th7 s ASN 20 Cb 0.00 0.09 -0.08 0.00 0.41 0.00 0.00 41.25 41.67 1th7 s ASN 20 CO 0.00 -0.57 1.14 -0.76 -1.51 0.00 0.00 177.10 175.40 1th7 s LEU 21 N -3.23 4.49 0.04 0.60 1.43 -1.26 -1.04 118.68 119.72 1th7 s LEU 21 Ca 0.27 2.22 -0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1th7 s LEU 21 Cb 0.06 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1th7 s LEU 21 CO 0.06 -0.26 -0.03 0.68 0.23 0.00 0.00 176.35 177.03 1th7 s VAL 22 N -0.48 0.21 -0.14 -1.59 -7.23 0.01 -0.86 120.40 110.32 1th7 s VAL 22 Ca 0.49 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1th7 s VAL 22 Cb -0.32 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 1th7 s VAL 22 CO 0.38 -0.79 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.02 1th7 s LEU 23 N -2.35 2.63 -0.13 1.32 2.96 0.21 -1.75 118.68 121.57 1th7 s LEU 23 Ca -0.02 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1th7 s LEU 23 Cb 0.01 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.11 1th7 s LEU 23 CO -0.06 0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.20 1th7 s VAL 24 N 0.54 2.19 -0.22 1.68 1.01 0.57 -0.49 120.40 125.69 1th7 s VAL 24 Ca -0.09 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1th7 s VAL 24 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1th7 s VAL 24 CO 0.04 0.55 0.23 -0.75 0.00 0.00 0.00 175.10 175.17 1th7 s LYS 25 N 0.71 4.13 0.39 2.72 2.20 -0.33 -1.25 119.74 128.32 1th7 s LYS 25 Ca -0.09 -0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1th7 s LYS 25 Cb -0.16 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1th7 s LYS 25 CO 0.01 0.07 0.12 -0.51 -0.36 0.00 0.00 175.35 174.68 1th7 s LEU 26 N 1.00 3.07 0.93 5.43 1.43 0.17 -0.63 118.68 130.09 1th7 s LEU 26 Ca 0.11 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1th7 s LEU 26 Cb -0.13 -1.39 0.15 0.00 0.03 0.00 0.00 46.19 44.85 1th7 s LEU 26 CO 0.05 -0.43 1.10 -0.54 0.23 0.00 0.00 176.35 176.75 1th7 s LYS 27 N -3.83 0.95 -0.57 1.70 1.02 -0.46 -3.14 119.74 115.41 1th7 s LYS 27 Ca 0.38 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.02 1th7 s LYS 27 Cb 0.03 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1th7 s LYS 27 CO 0.21 -2.41 0.00 0.41 -0.92 0.00 0.00 175.35 172.65 1th7 n GLY 28 N -1.25 0.40 3.82 -3.33 0.00 -1.26 -3.75 105.19 99.81 1th7 n GLY 28 Ca 0.06 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 0.91 -3.26 -4.06 1.61 3.02 -1.25 -4.98 115.26 107.25 1th7 n ASN 29 Ca -0.07 -1.04 -0.25 0.00 -0.03 0.00 0.00 54.58 53.19 1th7 n ASN 29 Cb 0.42 -3.11 -0.16 0.00 -0.61 0.00 0.00 39.78 36.31 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1th7 s LYS 30 N -6.33 1.74 -0.08 3.52 2.20 -1.19 -5.03 119.74 114.58 1th7 s LYS 30 Ca 0.29 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1th7 s LYS 30 Cb -0.11 -1.46 0.01 0.00 -1.51 0.00 0.00 37.83 34.76 1th7 s LYS 30 CO 0.88 0.10 -0.18 -1.21 -0.36 0.00 0.00 175.35 174.58 1th7 s GLU 31 N 0.44 2.38 0.04 4.03 2.02 -1.26 0.46 118.70 126.81 1th7 s GLU 31 Ca -0.11 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1th7 s GLU 31 Cb -0.14 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1th7 s GLU 31 CO 0.03 0.11 -0.19 0.14 0.02 0.00 0.00 175.26 175.37 1th7 s VAL 32 N 0.47 1.56 0.01 2.63 -7.23 -0.38 -0.89 120.40 116.57 1th7 s VAL 32 Ca -0.16 -1.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1th7 s VAL 32 Cb -0.17 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1th7 s VAL 32 CO 0.06 0.16 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.21 1th7 s ARG 33 N -1.18 1.53 0.00 4.82 3.52 -0.39 -0.31 118.95 126.94 1th7 s ARG 33 Ca 0.06 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1th7 s ARG 33 Cb -0.09 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1th7 s ARG 33 CO 0.02 0.41 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 1th7 n GLY 34 N 2.27 -0.84 3.67 8.12 0.00 -0.72 -0.96 105.19 116.73 1th7 n GLY 34 Ca -0.16 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 4.30 -0.05 1.61 -1.94 -0.62 -0.81 119.30 119.79 1th7 s MET 35 Ca 0.00 1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 54.87 1th7 s MET 35 Cb 0.00 -3.60 -0.05 0.00 2.01 0.00 0.00 34.83 33.19 1th7 s MET 35 CO 0.00 -0.45 1.45 -1.17 -0.01 0.00 0.00 175.02 174.85 1th7 s LEU 36 N 2.54 4.29 -0.00 -0.03 2.96 -0.20 -1.08 118.68 127.15 1th7 s LEU 36 Ca 0.42 2.07 0.04 0.00 -0.22 0.00 0.00 54.13 56.44 1th7 s LEU 36 Cb -0.16 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1th7 s LEU 36 CO 0.11 -0.79 0.15 0.54 -1.32 0.00 0.00 176.35 175.03 1th7 n ARG 37 N 6.14 3.06 -3.56 1.98 5.12 0.28 0.74 116.66 130.43 1th7 n ARG 37 Ca 0.15 -0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.91 1th7 n ARG 37 Cb 0.44 -0.89 -0.06 0.00 -1.16 0.00 0.00 32.46 30.79 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 -1.93 -0.49 0.06 0.55 0.15 -1.16 -4.92 113.70 105.97 1th7 s SER 38 Ca 0.00 0.54 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 1th7 s SER 38 Cb 0.03 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1th7 s SER 38 CO 0.19 -0.45 0.58 -0.72 1.20 0.00 0.00 173.24 174.04 1th7 s TYR 39 N -1.12 -0.51 0.26 3.44 -0.85 -1.26 -1.83 117.35 115.50 1th7 s TYR 39 Ca -0.05 0.57 0.05 0.00 -0.52 0.00 0.00 57.07 57.12 1th7 s TYR 39 Cb -0.00 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1th7 s TYR 39 CO 0.05 -0.70 0.18 -0.40 -1.52 0.00 0.00 175.55 173.16 1th7 n ASP 40 N 0.29 0.02 0.22 -0.18 5.68 -0.98 -4.96 116.55 116.65 1th7 n ASP 40 Ca -0.18 -2.62 0.15 0.00 -0.50 0.00 0.00 54.79 51.64 1th7 n ASP 40 Cb 0.61 1.08 0.76 0.00 -1.14 0.00 0.00 41.12 42.44 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 -0.43 0.11 -0.00 -1.92 -0.62 115.11 112.25 1th7 h GLN 41 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1th7 h GLN 41 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.37 1th7 h GLN 41 CO 0.29 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.84 1th7 n HIS 42 N -2.60 0.56 -2.26 0.06 8.25 -1.26 -0.98 115.22 116.99 1th7 n HIS 42 Ca -0.01 -0.28 -0.14 0.00 -0.26 0.00 0.00 57.72 57.03 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 1.54 -1.14 -2.50 -0.41 2.81 -0.24 -4.21 117.12 112.97 1th7 n MET 43 Ca 0.20 0.70 -0.42 0.00 -1.81 0.00 0.00 57.70 56.37 1th7 n MET 43 Cb 0.62 -4.99 -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 -2.36 7.20 0.27 7.83 0.01 -1.26 -3.54 114.94 123.10 1th7 s ASN 44 Ca 0.00 2.01 0.05 0.00 -0.71 0.00 0.00 52.86 54.21 1th7 s ASN 44 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1th7 s ASN 44 CO 0.00 -0.33 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.48 1th7 s LEU 45 N 0.40 2.34 -0.06 0.60 1.43 -0.61 -2.31 118.68 120.48 1th7 s LEU 45 Ca 0.54 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1th7 s LEU 45 Cb -0.28 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1th7 s LEU 45 CO 0.32 -0.44 -0.04 -0.69 0.23 0.00 0.00 176.35 175.72 1th7 s VAL 46 N -3.19 0.59 0.02 -1.59 1.01 -0.76 -0.46 120.40 116.02 1th7 s VAL 46 Ca 0.30 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1th7 s VAL 46 Cb 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1th7 s VAL 46 CO 0.12 0.26 -0.23 -0.76 0.00 0.00 0.00 175.10 174.49 1th7 s LEU 47 N 1.21 2.11 0.24 3.92 1.43 -0.59 -0.56 118.68 126.45 1th7 s LEU 47 Ca -0.06 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1th7 s LEU 47 Cb -0.14 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1th7 s LEU 47 CO -0.02 0.23 -0.08 -0.94 0.23 0.00 0.00 176.35 175.78 1th7 s SER 48 N -0.91 4.24 -1.55 2.29 1.04 -0.24 -1.01 113.70 117.55 1th7 s SER 48 Ca 0.09 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 1th7 s SER 48 Cb -0.09 -0.69 0.13 0.00 0.10 0.00 0.00 66.02 65.47 1th7 s SER 48 CO 0.01 0.04 0.72 0.47 0.98 0.00 0.00 173.24 175.46 1th7 n ASP 49 N -0.51 -3.53 -4.91 7.02 9.92 -1.10 -1.58 116.55 121.85 1th7 n ASP 49 Ca -0.08 -0.81 -0.28 0.00 -0.53 0.00 0.00 54.79 53.10 1th7 n ASP 49 Cb 0.58 -2.89 0.05 0.00 -0.64 0.00 0.00 41.12 38.21 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1th7 s SER 50 N -3.11 5.26 -0.03 -2.24 1.04 -0.13 -4.64 113.70 109.85 1th7 s SER 50 Ca 0.65 0.80 -0.18 0.00 0.48 0.00 0.00 55.95 57.70 1th7 s SER 50 Cb -0.35 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.20 1th7 s SER 50 CO 0.79 -1.36 0.40 -1.83 0.98 0.00 0.00 173.24 172.22 1th7 s GLU 51 N -5.23 0.75 -0.20 4.02 -1.05 -0.13 -1.05 118.70 115.81 1th7 s GLU 51 Ca 0.57 -0.06 -0.14 0.00 -0.15 0.00 0.00 54.97 55.19 1th7 s GLU 51 Cb -0.11 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 1th7 s GLU 51 CO 0.48 -0.21 0.33 -2.00 0.95 0.00 0.00 175.26 174.80 1th7 s GLU 52 N -1.24 4.16 0.01 -4.83 2.12 0.88 -1.26 118.70 118.54 1th7 s GLU 52 Ca -0.13 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1th7 s GLU 52 Cb -0.04 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1th7 s GLU 52 CO 0.05 0.02 1.29 0.42 -0.54 0.00 0.00 175.26 176.50 1th7 s ILE 53 N 1.14 3.92 0.50 -3.70 -1.09 -0.07 -0.58 121.20 121.33 1th7 s ILE 53 Ca 0.16 1.32 -0.02 0.00 -2.23 0.00 0.00 60.65 59.88 1th7 s ILE 53 Cb -0.14 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1th7 s ILE 53 CO 0.07 0.03 0.76 -1.10 -1.23 0.00 0.00 174.94 173.46 1th7 s GLN 54 N 1.93 3.01 0.66 2.79 1.11 0.23 -4.65 119.66 124.74 1th7 s GLN 54 Ca 0.60 -0.31 0.36 0.00 0.01 0.00 0.00 55.36 56.01 1th7 s GLN 54 Cb -0.29 -2.45 1.94 0.00 -1.01 0.00 0.00 33.01 31.20 1th7 s GLN 54 CO 0.26 -0.43 2.11 0.66 0.01 0.00 0.00 175.29 177.90 1th7 h SER 55 N 0.18 0.00 -0.58 5.90 4.64 -1.96 0.17 113.55 121.91 1th7 h SER 55 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1th7 h SER 55 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1th7 h SER 55 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1th7 n ASP 56 N -3.05 3.12 0.00 4.97 5.75 -1.26 -4.91 116.55 121.16 1th7 n ASP 56 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1th7 n ASP 56 Cb 0.26 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.43 2.53 3.78 6.12 0.00 0.60 -5.02 105.19 114.62 1th7 n GLY 57 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.68 4.40 -0.05 1.61 1.04 -1.26 -4.66 113.70 112.11 1th7 s SER 58 Ca 0.00 1.49 0.05 0.00 0.48 0.00 0.00 55.95 57.97 1th7 s SER 58 Cb 0.00 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 1th7 s SER 58 CO 0.00 -2.05 -0.22 -0.83 0.98 0.00 0.00 173.24 171.12 1th7 s GLY 59 N -3.68 1.15 -0.25 7.32 0.00 -1.26 0.75 107.32 111.34 1th7 s GLY 59 Ca 0.61 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 1th7 s GLY 59 CO 0.55 -0.53 0.12 1.25 0.00 0.00 0.00 173.10 174.49 1th7 s LYS 60 N -0.09 3.81 0.26 2.90 2.20 0.26 -4.84 119.74 124.24 1th7 s LYS 60 Ca -0.04 -0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 54.87 1th7 s LYS 60 Cb -0.13 -3.45 -0.13 0.00 -1.51 0.00 0.00 37.83 32.62 1th7 s LYS 60 CO 0.03 -0.13 1.47 1.63 -0.36 0.00 0.00 175.35 177.99 1th7 n LYS 61 N 4.81 2.25 0.00 4.03 5.02 -1.26 -0.08 118.16 132.92 1th7 n LYS 61 Ca -0.15 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1th7 n LYS 61 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 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 2.17 0.00 0.00 -0.35 4.77 -0.21 -4.85 117.00 118.52 1th7 n LEU 62 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1th7 n LEU 62 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1th7 n LEU 62 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1th7 n GLY 63 N 1.91 0.77 3.73 -0.72 0.00 -1.02 -4.72 105.19 105.14 1th7 n GLY 63 Ca 0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 5.08 0.04 2.61 2.01 -1.26 -0.95 115.64 123.16 1th7 s THR 64 Ca 0.00 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.24 1th7 s THR 64 Cb 0.00 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1th7 s THR 64 CO 0.00 0.31 -0.10 0.27 -0.69 0.00 0.00 174.62 174.41 1th7 s ILE 65 N 0.54 0.78 -0.24 1.82 -4.36 -0.18 -4.99 121.20 114.57 1th7 s ILE 65 Ca 0.32 -0.92 -0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1th7 s ILE 65 Cb -0.17 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.79 1th7 s ILE 65 CO 0.15 -0.13 -0.03 -0.69 0.24 0.00 0.00 174.94 174.47 1th7 s VAL 66 N -0.95 3.35 -0.15 8.37 1.01 -1.26 -1.54 120.40 129.23 1th7 s VAL 66 Ca -0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1th7 s VAL 66 Cb -0.08 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1th7 s VAL 66 CO 0.01 0.33 0.04 -0.63 0.00 0.00 0.00 175.10 174.85 1th7 s ILE 67 N 1.45 4.64 -0.22 2.22 1.01 0.39 -4.97 121.20 125.72 1th7 s ILE 67 Ca 0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1th7 s ILE 67 Cb -0.15 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 1th7 s ILE 67 CO -0.03 0.52 1.22 -0.13 0.00 0.00 0.00 174.94 176.52 1th7 s ARG 68 N -0.11 4.16 0.50 2.79 1.81 -1.26 -1.57 118.95 125.26 1th7 s ARG 68 Ca 0.06 1.47 0.20 0.00 -1.72 0.00 0.00 55.73 55.75 1th7 s ARG 68 Cb -0.12 -3.76 1.26 0.00 -0.45 0.00 0.00 34.95 31.87 1th7 s ARG 68 CO 0.01 -0.80 2.00 0.78 -0.68 0.00 0.00 175.30 176.62 1th7 h GLY 69 N 9.95 0.20 1.53 -3.53 0.00 -1.73 -1.93 103.07 107.56 1th7 h GLY 69 Ca -0.25 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1th7 h GLY 69 CO 0.99 0.03 0.21 -1.80 0.00 0.00 0.00 176.54 175.97 1th7 h ASP 70 N 0.14 0.00 -0.45 0.19 3.58 -1.87 -0.55 116.42 117.45 1th7 h ASP 70 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1th7 h ASP 70 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1th7 h ASP 70 CO -0.03 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.92 1th7 n ASN 71 N -3.43 3.44 -4.73 2.28 3.02 -0.73 -4.95 115.26 110.17 1th7 n ASN 71 Ca 0.00 -1.96 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 1th7 n ASN 71 Cb 0.30 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.25 4.90 -0.20 2.41 1.01 -0.22 -1.35 120.40 125.70 1th7 s VAL 72 Ca 0.38 1.56 -0.14 0.00 0.00 0.00 0.00 61.98 63.78 1th7 s VAL 72 Cb 0.21 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1th7 s VAL 72 CO 0.29 0.30 -0.32 -0.38 0.00 0.00 0.00 175.10 174.99 1th7 n ILE 73 N 3.34 1.41 -4.00 2.22 5.41 0.20 -4.94 119.36 122.99 1th7 n ILE 73 Ca -0.01 -0.10 -0.10 0.00 1.00 0.00 0.00 62.75 63.53 1th7 n ILE 73 Cb 0.51 -2.04 -0.11 0.00 -0.71 0.00 0.00 39.64 37.28 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 -7.57 2.24 -0.10 1.39 1.43 -1.16 -5.00 118.68 109.92 1th7 s LEU 74 Ca -0.30 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1th7 s LEU 74 Cb 0.09 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.34 1th7 s LEU 74 CO 0.41 -0.27 -0.12 -0.63 0.23 0.00 0.00 176.35 175.97 1th7 s ILE 75 N -1.41 1.24 -0.11 -0.59 1.01 -1.26 -1.18 121.20 118.90 1th7 s ILE 75 Ca -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1th7 s ILE 75 Cb -0.10 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1th7 s ILE 75 CO -0.01 0.39 -0.07 -0.55 0.00 0.00 0.00 174.94 174.71 1th7 s SER 76 N 1.10 2.08 0.26 3.58 0.15 0.36 -4.98 113.70 116.26 1th7 s SER 76 Ca -0.06 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.03 1th7 s SER 76 Cb -0.14 -0.78 -0.10 0.00 -1.71 0.00 0.00 66.02 63.29 1th7 s SER 76 CO -0.02 -0.13 1.34 -2.84 1.20 0.00 0.00 173.24 172.80 1th7 s PRO 77 N 1.72 4.35 0.00 5.44 0.02 -1.26 -0.62 135.00 144.65 1th7 s PRO 77 Ca 0.05 2.18 0.24 0.00 0.02 0.00 0.00 61.00 63.48 1th7 s PRO 77 Cb -0.13 -3.13 0.24 0.00 0.02 0.00 0.00 34.50 31.50 1th7 s PRO 77 CO -0.08 -0.27 1.29 1.28 -0.33 0.00 0.00 177.00 178.89