#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hq0 s MET 3 N 0.00 4.13 0.36 0.00 1.00 -1.26 -5.05 119.30 118.49 3hq0 s MET 3 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 55.69 56.11 3hq0 s MET 3 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 34.83 31.20 3hq0 s MET 3 CO 0.00 -0.24 0.23 -2.37 0.00 0.00 0.00 175.02 172.64 3hq0 n THR 4 N 4.83 0.00 0.00 2.05 5.66 -1.26 -4.98 114.28 120.58 3hq0 n THR 4 Ca -0.05 -2.43 0.00 0.00 -3.05 0.00 0.00 64.05 58.53 3hq0 n THR 4 Cb 0.50 1.09 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 3hq0 n THR 4 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hq0 n GLY 5 N -0.72 3.86 3.68 1.09 0.00 -1.26 -4.34 105.19 107.50 3hq0 n GLY 5 Ca 0.03 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hq0 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hq0 s VAL 6 N 0.00 4.85 -0.19 1.61 1.01 -1.26 -1.59 120.40 124.83 3hq0 s VAL 6 Ca 0.00 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 3hq0 s VAL 6 Cb 0.00 -4.20 -0.21 0.00 0.00 0.00 0.00 36.38 31.97 3hq0 s VAL 6 CO 0.00 0.03 0.35 -0.07 0.00 0.00 0.00 175.10 175.41 3hq0 h LEU 7 N 8.12 0.01 -7.33 3.92 3.38 -0.89 -3.46 115.31 119.05 3hq0 h LEU 7 Ca -0.31 -0.63 0.21 0.00 0.09 0.00 0.00 57.88 57.24 3hq0 h LEU 7 Cb 1.14 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 3hq0 h LEU 7 CO 0.84 1.37 0.61 0.00 0.09 0.00 0.00 178.44 181.35 3hq0 s ARG 8 N -2.33 0.82 0.27 1.13 1.70 -1.17 -4.78 118.95 114.58 3hq0 s ARG 8 Ca -0.26 -0.41 -0.31 0.00 -0.47 0.00 0.00 55.73 54.28 3hq0 s ARG 8 Cb 0.04 0.31 -0.12 0.00 -0.57 0.00 0.00 34.95 34.60 3hq0 s ARG 8 CO 0.62 -0.37 1.63 -2.30 -1.08 0.00 0.00 175.30 173.80 3hq0 n PRO 9 N -0.38 2.69 -0.10 3.89 -0.02 -1.26 -1.25 135.00 138.57 3hq0 n PRO 9 Ca -0.06 0.96 -0.17 0.00 -2.02 0.00 0.00 63.50 62.21 3hq0 n PRO 9 Cb 0.61 -2.76 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 3hq0 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hq0 n GLY 10 N 2.68 -0.30 3.50 -1.23 0.00 0.39 -4.69 105.19 105.55 3hq0 n GLY 10 Ca 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3hq0 n GLY 10 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hq0 s HIS 11 N -2.41 -0.40 -0.05 1.61 -3.43 -0.71 -4.01 115.29 105.89 3hq0 s HIS 11 Ca -0.28 0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 54.33 3hq0 s HIS 11 Cb 0.08 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.78 3hq0 s HIS 11 CO 0.45 -0.56 -0.00 0.00 -2.00 0.00 0.00 174.74 172.63 3hq0 s ALA 12 N -2.74 0.57 -0.31 -1.38 0.00 -0.34 -0.08 121.76 117.48 3hq0 s ALA 12 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 3hq0 s ALA 12 Cb -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3hq0 s ALA 12 CO -0.06 -0.28 0.17 -1.14 0.00 0.00 0.00 175.76 174.44 3hq0 s GLN 13 N 1.55 3.47 0.11 0.00 0.74 -0.59 -1.39 119.66 123.54 3hq0 s GLN 13 Ca -0.02 -0.64 0.07 0.00 0.05 0.00 0.00 55.36 54.83 3hq0 s GLN 13 Cb -0.13 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 3hq0 s GLN 13 CO -0.03 -0.38 -0.09 0.08 -0.55 0.00 0.00 175.29 174.32 3hq0 s VAL 14 N 1.65 3.42 -0.17 1.34 1.01 0.39 0.19 120.40 128.23 3hq0 s VAL 14 Ca 0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 3hq0 s VAL 14 Cb -0.17 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3hq0 s VAL 14 CO 0.07 0.09 0.28 -0.13 0.00 0.00 0.00 175.10 175.41 3hq0 s ARG 15 N -2.27 4.24 -0.05 2.72 0.52 0.10 -1.42 118.95 122.79 3hq0 s ARG 15 Ca 0.22 0.05 0.06 0.00 -0.52 0.00 0.00 55.73 55.55 3hq0 s ARG 15 Cb -0.11 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3hq0 s ARG 15 CO 0.14 0.21 -0.24 0.14 0.02 0.00 0.00 175.30 175.57 3hq0 s VAL 16 N 0.55 2.14 0.47 3.52 -7.23 -0.45 -3.52 120.40 115.87 3hq0 s VAL 16 Ca 0.15 -1.05 0.18 0.00 -1.81 0.00 0.00 61.98 59.46 3hq0 s VAL 16 Cb -0.13 -1.77 0.23 0.00 0.56 0.00 0.00 36.38 35.28 3hq0 s VAL 16 CO 0.03 0.57 2.05 -0.07 -0.31 0.00 0.00 175.10 177.38 3hq0 h LEU 17 N 5.86 0.00 -7.11 1.32 -0.00 -1.87 -2.41 115.31 111.09 3hq0 h LEU 17 Ca -0.36 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.00 3hq0 h LEU 17 Cb 1.16 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.42 3hq0 h LEU 17 CO 0.47 0.13 -0.76 0.21 -0.00 0.00 0.00 178.44 178.49 3hq0 s ASN 18 N -6.78 3.09 0.36 -0.43 3.84 -1.26 -4.67 114.94 109.09 3hq0 s ASN 18 Ca -0.04 -1.00 0.09 0.00 0.21 0.00 0.00 52.86 52.12 3hq0 s ASN 18 Cb 0.15 -0.51 0.82 0.00 -0.55 0.00 0.00 41.25 41.16 3hq0 s ASN 18 CO 0.66 -0.36 1.88 0.25 -2.79 0.00 0.00 177.10 176.74 3hq0 h LEU 19 N 8.29 0.65 0.39 3.21 5.85 -1.94 -1.72 115.31 130.04 3hq0 h LEU 19 Ca -0.16 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hq0 h LEU 19 Cb 1.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3hq0 h LEU 19 CO 0.37 0.34 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.54 3hq0 h GLU 20 N 0.69 -0.50 0.00 1.25 4.57 -1.97 -2.31 114.58 116.31 3hq0 h GLU 20 Ca 0.44 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 3hq0 h GLU 20 Cb 0.69 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 3hq0 h GLU 20 CO -0.20 -0.19 -0.06 1.05 -1.18 0.00 0.00 179.01 178.44 3hq0 h GLU 21 N -0.93 0.00 -0.18 1.92 4.11 -1.99 -1.54 114.58 115.97 3hq0 h GLU 21 Ca -0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 3hq0 h GLU 21 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hq0 h GLU 21 CO 0.09 0.06 -0.47 0.78 0.07 0.00 0.00 179.01 179.54 3hq0 h GLY 22 N 0.57 0.49 1.10 1.06 0.00 -1.18 -1.79 103.07 103.32 3hq0 h GLY 22 Ca -0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 3hq0 h GLY 22 CO 0.01 0.47 -0.52 -2.22 0.00 0.00 0.00 176.54 174.28 3hq0 h ILE 23 N 0.36 1.29 -0.47 2.60 2.04 -0.71 -2.12 117.51 120.50 3hq0 h ILE 23 Ca 0.02 -1.71 -0.11 0.00 1.00 0.00 0.00 64.86 64.06 3hq0 h ILE 23 Cb 0.96 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3hq0 h ILE 23 CO 0.08 0.55 -0.12 -0.74 0.00 0.00 0.00 178.15 177.92 3hq0 h HIS 24 N 0.57 1.03 -0.35 1.37 2.76 -1.46 -1.05 115.15 118.03 3hq0 h HIS 24 Ca 0.01 -0.22 -0.05 0.00 -2.20 0.00 0.00 60.37 57.90 3hq0 h HIS 24 Cb 1.13 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 3hq0 h HIS 24 CO 0.08 1.00 0.01 0.35 -1.30 0.00 0.00 177.93 178.08 3hq0 h PHE 25 N 0.76 0.66 0.00 5.26 3.04 -1.33 -0.27 116.94 125.06 3hq0 h PHE 25 Ca 0.12 -0.11 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 3hq0 h PHE 25 Cb 0.68 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 3hq0 h PHE 25 CO 0.05 0.70 -0.25 1.88 -2.02 0.00 0.00 178.31 178.67 3hq0 h TYR 26 N 0.42 0.00 0.00 0.41 0.05 -1.32 -0.99 116.97 115.54 3hq0 h TYR 26 Ca 0.10 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.61 3hq0 h TYR 26 Cb 0.43 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 3hq0 h TYR 26 CO 0.03 0.25 -2.17 -2.13 -1.05 0.00 0.00 178.16 173.10 3hq0 n ARG 27 N -3.25 0.67 -0.11 4.88 0.63 -0.40 -0.49 116.66 118.59 3hq0 n ARG 27 Ca 0.02 -0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.80 3hq0 n ARG 27 Cb 0.54 -1.57 -0.12 0.00 0.45 0.00 0.00 32.46 31.77 3hq0 n ARG 27 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hq0 n ASN 28 N -2.69 1.73 -0.06 6.15 5.03 -0.11 -3.95 115.26 121.36 3hq0 n ASN 28 Ca -0.24 -0.09 -0.04 0.00 0.87 0.00 0.00 54.58 55.08 3hq0 n ASN 28 Cb 1.00 0.01 -0.01 0.00 -1.02 0.00 0.00 39.78 39.76 3hq0 n ASN 28 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3hq0 n VAL 29 N -3.03 1.15 0.18 2.41 0.31 -0.47 -4.18 118.33 114.69 3hq0 n VAL 29 Ca -0.38 0.27 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 3hq0 n VAL 29 Cb 0.98 -2.22 0.34 0.00 -0.91 0.00 0.00 33.84 32.03 3hq0 n VAL 29 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hq0 h LEU 30 N -0.81 0.00 -0.80 7.52 5.85 -1.48 -0.58 115.31 125.02 3hq0 h LEU 30 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hq0 h LEU 30 Cb 0.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hq0 h LEU 30 CO 0.00 0.40 -0.06 0.61 -0.34 0.00 0.00 178.44 179.05 3hq0 n GLY 31 N -0.30 0.74 3.88 3.75 0.00 -1.14 -0.44 105.19 111.67 3hq0 n GLY 31 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3hq0 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq0 s LEU 32 N -1.42 3.86 -0.25 0.99 1.02 0.35 -4.10 118.68 119.14 3hq0 s LEU 32 Ca 0.05 1.05 -0.15 0.00 0.02 0.00 0.00 54.13 55.09 3hq0 s LEU 32 Cb -0.02 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.23 3hq0 s LEU 32 CO 0.06 -0.37 0.38 -0.69 0.02 0.00 0.00 176.35 175.75 3hq0 s VAL 33 N -2.34 5.18 0.07 -1.59 1.01 0.07 -4.36 120.40 118.45 3hq0 s VAL 33 Ca 0.50 0.62 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 3hq0 s VAL 33 Cb -0.10 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 3hq0 s VAL 33 CO 0.32 0.19 1.19 -0.70 0.00 0.00 0.00 175.10 176.10 3hq0 s GLU 34 N 1.79 4.44 0.00 2.72 2.12 -1.26 -1.05 118.70 127.47 3hq0 s GLU 34 Ca 0.16 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.27 3hq0 s GLU 34 Cb -0.15 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3hq0 s GLU 34 CO 0.09 -0.23 0.18 0.25 -0.54 0.00 0.00 175.26 175.01 3hq0 n THR 35 N 3.77 0.00 0.00 -1.70 -2.24 -0.17 -4.96 114.28 108.97 3hq0 n THR 35 Ca 0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3hq0 n THR 35 Cb 0.46 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3hq0 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hq0 n GLY 36 N 0.58 0.73 3.19 3.38 0.00 -1.24 -4.98 105.19 106.85 3hq0 n GLY 36 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3hq0 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq0 s ARG 37 N -2.00 0.32 0.73 1.61 0.52 -1.26 -0.81 118.95 118.06 3hq0 s ARG 37 Ca 0.00 0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3hq0 s ARG 37 Cb 0.00 0.17 0.12 0.00 0.52 0.00 0.00 34.95 35.76 3hq0 s ARG 37 CO 0.00 -0.33 1.01 0.16 0.02 0.00 0.00 175.30 176.17 3hq0 s ASP 38 N 2.59 4.34 0.32 0.23 3.84 -0.73 -4.95 116.67 122.31 3hq0 s ASP 38 Ca 0.01 -0.18 0.03 0.00 -0.00 0.00 0.00 52.55 52.41 3hq0 s ASP 38 Cb -0.13 -0.23 0.60 0.00 -1.38 0.00 0.00 42.92 41.78 3hq0 s ASP 38 CO -0.13 -1.87 1.92 0.44 -0.00 0.00 0.00 175.17 175.53 3hq0 h ASP 39 N -0.60 0.82 0.39 2.11 3.32 -1.99 -1.65 116.42 118.83 3hq0 h ASP 39 Ca -0.39 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3hq0 h ASP 39 Cb 1.27 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3hq0 h ASP 39 CO 0.43 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 3hq0 n GLN 40 N -4.49 0.14 -0.05 3.56 6.02 -1.26 -4.85 117.38 116.45 3hq0 n GLN 40 Ca 0.13 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 3hq0 n GLN 40 Cb 0.22 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3hq0 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hq0 n GLY 41 N -0.58 0.97 3.84 1.08 0.00 -0.62 -5.01 105.19 104.87 3hq0 n GLY 41 Ca 0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3hq0 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq0 s ARG 42 N -0.60 4.00 -0.14 1.61 0.52 -1.26 -4.65 118.95 118.44 3hq0 s ARG 42 Ca 0.00 0.53 0.01 0.00 -0.52 0.00 0.00 55.73 55.75 3hq0 s ARG 42 Cb 0.00 -2.90 -0.00 0.00 0.52 0.00 0.00 34.95 32.57 3hq0 s ARG 42 CO 0.00 0.45 -0.17 0.08 0.02 0.00 0.00 175.30 175.68 3hq0 s VAL 43 N -1.51 2.61 -0.06 3.52 1.01 -1.09 -1.77 120.40 123.11 3hq0 s VAL 43 Ca 0.39 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hq0 s VAL 43 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3hq0 s VAL 43 CO 0.19 0.53 0.16 -0.31 0.00 0.00 0.00 175.10 175.67 3hq0 s TYR 44 N 0.59 3.57 0.08 5.22 1.51 0.01 -1.98 117.35 126.35 3hq0 s TYR 44 Ca -0.10 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.41 3hq0 s TYR 44 Cb -0.16 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 3hq0 s TYR 44 CO 0.03 0.69 -0.06 -0.06 -1.11 0.00 0.00 175.55 175.04 3hq0 s PHE 45 N -1.17 0.79 0.04 2.71 0.40 0.18 -1.00 117.98 119.93 3hq0 s PHE 45 Ca 0.21 -0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 3hq0 s PHE 45 Cb -0.12 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 3hq0 s PHE 45 CO 0.11 -0.19 0.09 -1.59 0.70 0.00 0.00 175.22 174.34 3hq0 s LYS 46 N -3.70 0.58 0.56 0.44 -2.85 -0.21 -0.86 119.74 113.70 3hq0 s LYS 46 Ca 0.09 -0.75 -0.18 0.00 -1.00 0.00 0.00 55.97 54.13 3hq0 s LYS 46 Cb 0.05 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 3hq0 s LYS 46 CO -0.06 -0.14 1.07 0.00 0.10 0.00 0.00 175.35 176.32 3hq0 h TRP 48 N 0.87 1.04 0.00 0.00 5.08 -1.84 -2.78 115.95 118.33 3hq0 h TRP 48 Ca -0.48 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3hq0 h TRP 48 Cb 1.23 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 3hq0 h TRP 48 CO 0.56 0.63 0.00 -3.47 -1.28 0.00 0.00 178.44 174.88 3hq0 n ASP 49 N -4.53 0.00 -4.38 0.11 2.03 -1.26 -4.42 116.55 104.11 3hq0 n ASP 49 Ca 0.10 0.33 -0.29 0.00 0.52 0.00 0.00 54.79 55.45 3hq0 n ASP 49 Cb 0.06 -0.44 0.17 0.00 -0.72 0.00 0.00 41.12 40.18 3hq0 n ASP 49 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hq0 s GLU 50 N -2.89 0.48 -0.00 -0.67 2.02 -1.05 -4.78 118.70 111.80 3hq0 s GLU 50 Ca 0.18 0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.19 3hq0 s GLU 50 Cb 0.19 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 3hq0 s GLU 50 CO 0.51 -2.59 0.04 0.54 0.02 0.00 0.00 175.26 173.78 3hq0 n ARG 51 N -3.98 2.41 -3.10 1.61 1.74 -1.26 -3.59 116.66 110.48 3hq0 n ARG 51 Ca 0.11 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 3hq0 n ARG 51 Cb 0.59 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.46 31.15 3hq0 n ARG 51 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hq0 s ASP 52 N -1.80 6.39 0.39 0.55 1.01 -1.26 -0.38 116.67 121.58 3hq0 s ASP 52 Ca -0.00 0.79 0.18 0.00 0.71 0.00 0.00 52.55 54.22 3hq0 s ASP 52 Cb 0.01 -2.18 1.09 0.00 1.01 0.00 0.00 42.92 42.85 3hq0 s ASP 52 CO 0.06 -0.33 1.78 -0.74 0.21 0.00 0.00 175.17 176.14 3hq0 h HIS 53 N 1.11 0.67 -2.56 4.23 2.76 -1.26 -3.44 115.15 116.65 3hq0 h HIS 53 Ca -0.48 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.65 3hq0 h HIS 53 Cb 1.20 -0.19 -0.17 0.00 1.55 0.00 0.00 27.41 29.79 3hq0 h HIS 53 CO 0.57 0.07 0.05 -1.54 -1.30 0.00 0.00 177.93 175.78 3hq0 s SER 54 N -5.29 -0.48 0.00 3.26 1.04 -1.26 -4.37 113.70 106.60 3hq0 s SER 54 Ca -0.09 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3hq0 s SER 54 Cb 0.25 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3hq0 s SER 54 CO 0.80 -0.66 0.00 0.00 0.98 0.00 0.00 173.24 174.36 3hq0 s TYR 56 N -0.09 0.32 -0.06 0.00 5.04 -0.94 -1.20 117.35 120.42 3hq0 s TYR 56 Ca 0.00 0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.72 3hq0 s TYR 56 Cb 0.00 -0.55 -0.00 0.00 0.35 0.00 0.00 41.96 41.76 3hq0 s TYR 56 CO 0.00 -0.21 -0.18 0.42 -1.34 0.00 0.00 175.55 174.24 3hq0 s ILE 57 N 1.74 1.50 0.01 3.14 1.09 -0.49 -0.64 121.20 127.56 3hq0 s ILE 57 Ca 0.00 -0.74 0.04 0.00 -1.10 0.00 0.00 60.65 58.86 3hq0 s ILE 57 Cb -0.13 -1.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.94 3hq0 s ILE 57 CO -0.03 0.43 -0.08 0.27 -0.10 0.00 0.00 174.94 175.43 3hq0 s ILE 58 N 0.18 3.53 -0.05 2.92 -4.36 -0.84 -0.46 121.20 122.12 3hq0 s ILE 58 Ca -0.08 -0.86 -0.00 0.00 -0.26 0.00 0.00 60.65 59.46 3hq0 s ILE 58 Cb -0.13 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.07 3hq0 s ILE 58 CO 0.03 0.37 -0.01 -0.60 0.24 0.00 0.00 174.94 174.97 3hq0 s ARG 59 N -1.47 0.57 0.16 0.37 3.52 -0.51 -2.66 118.95 118.92 3hq0 s ARG 59 Ca 0.17 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.50 3hq0 s ARG 59 Cb -0.11 -0.78 -0.09 0.00 -1.56 0.00 0.00 34.95 32.41 3hq0 s ARG 59 CO 0.08 -0.19 1.49 -2.00 -0.81 0.00 0.00 175.30 173.87 3hq0 s GLU 60 N 1.38 4.26 0.23 5.12 2.12 -1.26 -1.34 118.70 129.21 3hq0 s GLU 60 Ca -0.04 2.25 -0.14 0.00 0.36 0.00 0.00 54.97 57.40 3hq0 s GLU 60 Cb -0.13 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3hq0 s GLU 60 CO -0.02 -0.53 0.48 0.00 -0.54 0.00 0.00 175.26 174.65 3hq0 s ALA 61 N 1.01 -0.44 0.10 6.30 0.00 -0.91 -4.89 121.76 122.93 3hq0 s ALA 61 Ca 0.67 -0.70 0.24 0.00 0.00 0.00 0.00 51.96 52.17 3hq0 s ALA 61 Cb -0.41 0.98 0.87 0.00 0.00 0.00 0.00 23.12 24.56 3hq0 s ALA 61 CO 0.32 -0.83 1.80 -0.44 0.00 0.00 0.00 175.76 176.61 3hq0 h ASP 62 N 2.26 0.00 -4.44 0.00 3.45 -1.92 -3.38 116.42 112.39 3hq0 h ASP 62 Ca -0.27 0.00 -0.39 0.00 0.43 0.00 0.00 57.03 56.80 3hq0 h ASP 62 Cb 1.25 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.81 3hq0 h ASP 62 CO 0.36 0.23 -0.77 -0.89 -1.57 0.00 0.00 179.24 176.61 3hq0 s THR 63 N -3.60 1.07 0.66 0.35 2.01 -1.26 -4.99 115.64 109.88 3hq0 s THR 63 Ca 0.01 -1.38 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 3hq0 s THR 63 Cb 0.10 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.53 3hq0 s THR 63 CO 0.64 -0.30 0.95 0.00 -0.69 0.00 0.00 174.62 175.22 3hq0 s ALA 64 N -1.54 3.31 0.00 7.40 0.00 -1.26 -4.59 121.76 125.08 3hq0 s ALA 64 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3hq0 s ALA 64 Cb -0.08 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3hq0 s ALA 64 CO 0.02 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.07 3hq0 n GLY 65 N -2.76 0.75 3.72 0.00 0.00 -1.23 -4.90 105.19 100.77 3hq0 n GLY 65 Ca 0.07 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 3hq0 n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hq0 s ILE 66 N -0.95 4.83 -0.15 -0.61 2.07 -1.26 0.02 121.20 125.15 3hq0 s ILE 66 Ca 0.00 -0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 58.95 3hq0 s ILE 66 Cb 0.00 -3.11 -0.25 0.00 0.13 0.00 0.00 42.46 39.23 3hq0 s ILE 66 CO 0.00 0.55 0.62 0.44 -1.91 0.00 0.00 174.94 174.64 3hq0 h ASP 67 N 5.72 0.07 -4.74 4.50 3.32 -0.60 -3.48 116.42 121.21 3hq0 h ASP 67 Ca -0.46 -0.85 0.08 0.00 0.02 0.00 0.00 57.03 55.81 3hq0 h ASP 67 Cb 1.19 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3hq0 h ASP 67 CO 0.62 1.21 0.42 0.72 -1.72 0.00 0.00 179.24 180.49 3hq0 s PHE 68 N -2.30 -0.39 -0.09 4.55 -0.12 -1.21 -4.46 117.98 113.97 3hq0 s PHE 68 Ca -0.21 0.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 3hq0 s PHE 68 Cb 0.00 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 3hq0 s PHE 68 CO 0.68 -0.63 -0.08 0.12 -0.05 0.00 0.00 175.22 175.27 3hq0 s PHE 69 N -3.28 1.33 0.16 3.49 2.19 -0.55 -1.54 117.98 119.77 3hq0 s PHE 69 Ca 0.04 -0.58 0.10 0.00 0.33 0.00 0.00 56.93 56.82 3hq0 s PHE 69 Cb -0.01 -1.09 -0.04 0.00 -1.31 0.00 0.00 43.02 40.56 3hq0 s PHE 69 CO -0.10 -0.40 -0.21 0.20 1.83 0.00 0.00 175.22 176.53 3hq0 s GLY 70 N 1.39 1.67 0.05 13.12 0.00 0.88 -1.00 107.32 123.43 3hq0 s GLY 70 Ca -0.02 -1.50 0.07 0.00 0.00 0.00 0.00 44.72 43.27 3hq0 s GLY 70 CO -0.04 -1.51 -0.15 -1.36 0.00 0.00 0.00 173.10 170.04 3hq0 s PHE 71 N -1.39 2.64 -0.05 1.90 0.08 0.12 0.15 117.98 121.43 3hq0 s PHE 71 Ca 0.19 -0.21 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 3hq0 s PHE 71 Cb -0.09 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3hq0 s PHE 71 CO 0.10 0.32 0.40 0.21 -0.10 0.00 0.00 175.22 176.14 3hq0 s LYS 72 N -1.64 4.04 0.30 0.44 2.36 -0.38 -1.45 119.74 123.41 3hq0 s LYS 72 Ca 0.16 0.36 0.09 0.00 -2.55 0.00 0.00 55.97 54.03 3hq0 s LYS 72 Cb -0.11 -3.30 -0.04 0.00 -1.05 0.00 0.00 37.83 33.34 3hq0 s LYS 72 CO 0.08 0.51 0.10 0.14 1.55 0.00 0.00 175.35 177.73 3hq0 s VAL 73 N -0.48 3.42 0.21 4.02 -7.23 0.14 -0.36 120.40 120.12 3hq0 s VAL 73 Ca 0.23 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 3hq0 s VAL 73 Cb -0.16 -3.00 0.24 0.00 0.56 0.00 0.00 36.38 34.02 3hq0 s VAL 73 CO 0.11 -0.28 1.63 0.25 -0.31 0.00 0.00 175.10 176.50 3hq0 h LEU 74 N 1.65 -0.55 -7.93 1.32 5.85 -1.61 -3.41 115.31 110.64 3hq0 h LEU 74 Ca -0.45 0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.55 3hq0 h LEU 74 Cb 1.25 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3hq0 h LEU 74 CO 0.62 -0.20 0.42 1.51 -0.34 0.00 0.00 178.44 180.45 3hq0 s ASP 75 N -5.23 -0.05 0.22 1.25 1.47 -1.26 -5.03 116.67 108.04 3hq0 s ASP 75 Ca -0.14 -0.80 -0.08 0.00 1.18 0.00 0.00 52.55 52.71 3hq0 s ASP 75 Cb 0.20 0.65 0.28 0.00 -0.34 0.00 0.00 42.92 43.71 3hq0 s ASP 75 CO 0.74 -1.27 1.81 0.11 0.68 0.00 0.00 175.17 177.24 3hq0 h LYS 76 N 2.00 0.70 -0.77 2.11 1.57 -1.90 -1.93 116.57 118.35 3hq0 h LYS 76 Ca -0.28 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3hq0 h LYS 76 Cb 1.23 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 3hq0 h LYS 76 CO 0.35 0.47 0.48 0.00 -0.57 0.00 0.00 179.45 180.18 3hq0 h ALA 77 N 1.38 1.03 -0.67 3.86 0.00 -2.00 -1.72 119.26 121.14 3hq0 h ALA 77 Ca 0.33 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3hq0 h ALA 77 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hq0 h ALA 77 CO -0.20 0.25 0.10 1.15 0.00 0.00 0.00 179.25 180.55 3hq0 h THR 78 N 0.92 1.26 -0.65 0.00 2.02 -1.80 -1.80 112.91 112.86 3hq0 h THR 78 Ca 0.32 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3hq0 h THR 78 Cb 0.07 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hq0 h THR 78 CO -0.13 0.40 0.43 0.25 0.37 0.00 0.00 175.52 176.83 3hq0 h LEU 79 N 1.03 0.75 -0.21 2.58 5.85 -0.78 -0.11 115.31 124.41 3hq0 h LEU 79 Ca 0.20 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3hq0 h LEU 79 Cb 0.46 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3hq0 h LEU 79 CO 0.02 0.54 0.10 -0.33 -0.34 0.00 0.00 178.44 178.42 3hq0 h GLU 80 N 0.88 0.31 -0.49 1.25 4.39 -1.06 -1.99 114.58 117.87 3hq0 h GLU 80 Ca 0.24 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.91 3hq0 h GLU 80 Cb -0.10 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 3hq0 h GLU 80 CO -0.05 0.35 0.30 -0.22 -1.16 0.00 0.00 179.01 178.22 3hq0 h LYS 81 N 0.21 0.58 -0.68 2.33 1.63 -1.02 -1.81 116.57 117.81 3hq0 h LYS 81 Ca 0.07 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3hq0 h LYS 81 Cb 0.14 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3hq0 h LYS 81 CO -0.01 0.39 0.37 -0.07 -3.45 0.00 0.00 179.45 176.68 3hq0 h LEU 82 N 0.60 0.85 -0.67 5.20 4.07 -0.92 -0.44 115.31 124.01 3hq0 h LEU 82 Ca 0.19 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.09 3hq0 h LEU 82 Cb -0.00 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.48 3hq0 h LEU 82 CO -0.08 0.70 0.41 -0.78 -1.08 0.00 0.00 178.44 177.62 3hq0 h ASP 83 N 0.93 0.68 -0.33 -0.43 -0.00 -0.96 0.19 116.42 116.50 3hq0 h ASP 83 Ca 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.23 3hq0 h ASP 83 Cb 0.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 3hq0 h ASP 83 CO -0.04 0.47 0.04 0.00 -0.00 0.00 0.00 179.24 179.71 3hq0 h ALA 84 N 1.29 0.44 -0.21 -0.78 0.00 -0.79 -2.10 119.26 117.10 3hq0 h ALA 84 Ca 0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hq0 h ALA 84 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hq0 h ALA 84 CO -0.11 0.15 -0.24 -0.44 0.00 0.00 0.00 179.25 178.61 3hq0 h ASP 85 N 0.38 0.39 -0.53 0.00 3.32 -0.69 0.17 116.42 119.45 3hq0 h ASP 85 Ca 0.10 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3hq0 h ASP 85 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hq0 h ASP 85 CO 0.01 0.64 0.07 -0.07 -1.72 0.00 0.00 179.24 178.17 3hq0 h LEU 86 N 0.35 0.86 -0.12 1.55 3.38 -0.45 -1.10 115.31 119.78 3hq0 h LEU 86 Ca 0.05 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 3hq0 h LEU 86 Cb 0.62 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hq0 h LEU 86 CO 0.04 0.91 -0.52 1.56 0.09 0.00 0.00 178.44 180.53 3hq0 h GLN 87 N 0.78 0.57 -0.82 1.13 4.20 -1.11 -1.41 115.11 118.45 3hq0 h GLN 87 Ca 0.16 -0.45 0.13 0.00 0.06 0.00 0.00 58.65 58.55 3hq0 h GLN 87 Cb 0.43 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 3hq0 h GLN 87 CO 0.01 1.07 0.54 0.00 -0.67 0.00 0.00 178.83 179.79 3hq0 h ALA 88 N 0.50 1.87 0.00 3.87 0.00 -0.60 0.21 119.26 125.12 3hq0 h ALA 88 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hq0 h ALA 88 Cb 1.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hq0 h ALA 88 CO 0.11 -0.08 -0.39 -0.92 0.00 0.00 0.00 179.25 177.97 3hq0 h TYR 89 N 0.64 0.00 0.00 0.00 3.20 -1.10 -3.46 116.97 116.25 3hq0 h TYR 89 Ca 0.40 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.27 3hq0 h TYR 89 Cb 0.65 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3hq0 h TYR 89 CO -0.00 0.39 0.00 0.41 -1.64 0.00 0.00 178.16 177.32 3hq0 n GLY 90 N -0.37 0.44 3.87 1.82 0.00 0.74 -5.11 105.19 106.58 3hq0 n GLY 90 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3hq0 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq0 s LEU 91 N 0.00 4.09 -0.18 0.99 1.43 -0.55 -4.99 118.68 119.47 3hq0 s LEU 91 Ca 0.00 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 3hq0 s LEU 91 Cb 0.00 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 3hq0 s LEU 91 CO 0.00 -0.16 0.12 0.42 0.23 0.00 0.00 176.35 176.96 3hq0 s THR 92 N -1.96 5.31 0.16 5.49 -4.23 -1.26 -3.82 115.64 115.32 3hq0 s THR 92 Ca 0.49 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 61.24 3hq0 s THR 92 Cb -0.11 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 3hq0 s THR 92 CO 0.23 0.49 -0.17 0.42 -0.54 0.00 0.00 174.62 175.04 3hq0 s THR 93 N 0.04 2.78 -0.08 3.99 -4.23 -1.26 -4.50 115.64 112.38 3hq0 s THR 93 Ca 0.09 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3hq0 s THR 93 Cb -0.11 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.42 3hq0 s THR 93 CO -0.00 -0.03 -0.09 0.42 -0.54 0.00 0.00 174.62 174.38 3hq0 s THR 94 N -1.48 0.98 -0.28 3.99 -4.23 0.20 -4.96 115.64 109.86 3hq0 s THR 94 Ca 0.21 -0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 60.14 3hq0 s THR 94 Cb -0.09 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 3hq0 s THR 94 CO 0.11 0.34 0.83 -0.60 -0.54 0.00 0.00 174.62 174.76 3hq0 s ARG 95 N 1.16 4.07 -0.13 3.99 6.06 -1.26 -0.98 118.95 131.85 3hq0 s ARG 95 Ca -0.06 0.79 -0.20 0.00 -2.50 0.00 0.00 55.73 53.76 3hq0 s ARG 95 Cb -0.14 -3.69 -0.04 0.00 0.06 0.00 0.00 34.95 31.14 3hq0 s ARG 95 CO -0.02 -0.63 0.56 0.42 -2.50 0.00 0.00 175.30 173.14 3hq0 s ILE 96 N 2.96 5.11 0.66 4.11 1.09 0.11 -4.92 121.20 130.33 3hq0 s ILE 96 Ca 0.35 1.10 -0.17 0.00 -1.10 0.00 0.00 60.65 60.83 3hq0 s ILE 96 Cb -0.14 -3.89 -0.01 0.00 -1.06 0.00 0.00 42.46 37.35 3hq0 s ILE 96 CO 0.10 0.25 1.16 -0.81 -0.10 0.00 0.00 174.94 175.54 3hq0 n PRO 97 N 4.12 0.90 -2.17 2.79 -0.04 -1.26 -1.07 135.00 138.27 3hq0 n PRO 97 Ca -0.04 0.36 -0.36 0.00 -0.04 0.00 0.00 63.50 63.42 3hq0 n PRO 97 Cb 0.51 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 3hq0 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hq0 s ALA 98 N -1.53 2.78 0.00 0.55 0.00 -1.26 -2.41 121.76 119.90 3hq0 s ALA 98 Ca 0.79 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3hq0 s ALA 98 Cb -0.38 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3hq0 s ALA 98 CO 0.44 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3hq0 n GLY 99 N 0.38 2.88 0.31 0.00 0.00 -0.13 -4.80 105.19 103.83 3hq0 n GLY 99 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3hq0 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hq0 h GLU 100 N 1.69 0.19 -6.11 1.61 4.22 -1.71 -3.36 114.58 111.11 3hq0 h GLU 100 Ca 0.00 -0.01 -0.68 0.00 0.08 0.00 0.00 59.36 58.75 3hq0 h GLU 100 Cb 0.00 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 28.98 3hq0 h GLU 100 CO 0.00 0.13 -0.75 -1.64 -2.18 0.00 0.00 179.01 174.56 3hq0 s MET 101 N -5.21 2.71 0.23 1.92 -1.94 -1.26 -5.07 119.30 110.67 3hq0 s MET 101 Ca -0.06 -0.67 -0.31 0.00 -1.71 0.00 0.00 55.69 52.94 3hq0 s MET 101 Cb 0.18 -2.46 -0.14 0.00 2.01 0.00 0.00 34.83 34.41 3hq0 s MET 101 CO 0.71 0.56 1.29 1.28 -0.01 0.00 0.00 175.02 178.85 3hq0 n LEU 102 N 2.52 2.54 -1.43 -0.03 4.77 -1.26 -1.90 117.00 122.21 3hq0 n LEU 102 Ca -0.17 1.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.83 3hq0 n LEU 102 Cb 0.52 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.21 3hq0 n LEU 102 CO 0.27 -0.81 -0.12 -0.62 -1.33 0.00 0.00 177.39 174.78 3hq0 n GLU 103 N 1.76 -1.33 -5.10 3.23 -0.58 -1.26 -4.93 120.64 112.42 3hq0 n GLU 103 Ca 0.12 0.71 -0.32 0.00 -0.42 0.00 0.00 57.16 57.25 3hq0 n GLU 103 Cb 0.30 -4.96 -0.16 0.00 -0.57 0.00 0.00 31.44 26.05 3hq0 n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3hq0 s THR 104 N -2.07 2.41 0.73 2.62 2.01 -0.80 -1.54 115.64 119.00 3hq0 s THR 104 Ca 0.00 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 3hq0 s THR 104 Cb 0.00 -1.93 0.18 0.00 0.01 0.00 0.00 72.50 70.77 3hq0 s THR 104 CO 0.00 0.56 0.61 0.61 -0.69 0.00 0.00 174.62 175.71 3hq0 n GLY 105 N 3.12 -2.83 3.75 4.40 0.00 0.17 -0.96 105.19 112.84 3hq0 n GLY 105 Ca -0.18 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3hq0 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hq0 s GLU 106 N -4.40 2.32 0.05 1.61 -1.05 -1.26 -4.45 118.70 111.52 3hq0 s GLU 106 Ca 0.41 1.43 0.05 0.00 -0.15 0.00 0.00 54.97 56.71 3hq0 s GLU 106 Cb -0.04 -1.89 -0.02 0.00 -0.44 0.00 0.00 34.13 31.74 3hq0 s GLU 106 CO 0.32 -1.63 -0.14 1.03 0.95 0.00 0.00 175.26 175.78 3hq0 s ARG 107 N -4.32 0.91 -0.43 -4.83 0.52 -0.23 -4.49 118.95 106.07 3hq0 s ARG 107 Ca 0.67 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.90 3hq0 s ARG 107 Cb -0.22 -0.92 0.03 0.00 0.52 0.00 0.00 34.95 34.36 3hq0 s ARG 107 CO 0.48 0.22 0.43 0.08 0.02 0.00 0.00 175.30 176.53 3hq0 s VAL 108 N -0.95 5.10 0.04 3.52 1.01 0.13 0.08 120.40 129.32 3hq0 s VAL 108 Ca 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3hq0 s VAL 108 Cb -0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3hq0 s VAL 108 CO 0.01 -0.44 0.02 -0.60 0.00 0.00 0.00 175.10 174.09 3hq0 s ARG 109 N 2.10 2.74 0.15 2.72 3.52 -0.16 -1.44 118.95 128.59 3hq0 s ARG 109 Ca 0.11 -0.69 -0.21 0.00 -0.13 0.00 0.00 55.73 54.81 3hq0 s ARG 109 Cb -0.18 -2.65 0.06 0.00 -1.56 0.00 0.00 34.95 30.62 3hq0 s ARG 109 CO 0.13 0.59 0.53 -0.59 -0.81 0.00 0.00 175.30 175.15 3hq0 s PHE 110 N -1.22 -0.42 -0.10 5.12 -0.12 -0.69 -0.62 117.98 119.92 3hq0 s PHE 110 Ca 0.23 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.27 3hq0 s PHE 110 Cb -0.12 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 3hq0 s PHE 110 CO 0.15 -0.79 0.01 -2.00 -0.05 0.00 0.00 175.22 172.53 3hq0 s GLU 111 N -3.74 3.11 0.56 1.99 2.12 -1.26 -1.04 118.70 120.43 3hq0 s GLU 111 Ca 0.02 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 3hq0 s GLU 111 Cb 0.00 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.56 3hq0 s GLU 111 CO -0.12 0.65 0.83 -0.51 -0.54 0.00 0.00 175.26 175.56 3hq0 s LEU 112 N -0.72 3.31 0.53 2.70 1.43 -0.10 -4.95 118.68 120.89 3hq0 s LEU 112 Ca 0.11 0.43 0.35 0.00 -1.03 0.00 0.00 54.13 54.00 3hq0 s LEU 112 Cb -0.12 -3.26 1.75 0.00 0.03 0.00 0.00 46.19 44.59 3hq0 s LEU 112 CO 0.02 -1.03 2.07 -0.65 0.23 0.00 0.00 176.35 176.99 3hq0 h PRO 113 N -0.02 0.00 -0.00 1.29 0.11 -1.88 0.09 132.00 131.59 3hq0 h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hq0 h PRO 113 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hq0 h PRO 113 CO 0.58 0.00 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.11 3hq0 n SER 114 N -2.85 0.44 0.00 -2.05 3.41 -1.20 -4.64 113.62 106.73 3hq0 n SER 114 Ca -0.01 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3hq0 n SER 114 Cb 0.15 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3hq0 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hq0 n GLY 115 N 1.32 1.64 3.77 5.00 0.00 0.02 -0.94 105.19 116.01 3hq0 n GLY 115 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3hq0 n GLY 115 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hq0 s HIS 116 N -2.37 3.61 -0.22 1.61 3.76 -1.26 -4.27 115.29 116.14 3hq0 s HIS 116 Ca 0.00 1.75 -0.15 0.00 -0.15 0.00 0.00 55.06 56.51 3hq0 s HIS 116 Cb 0.00 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 3hq0 s HIS 116 CO 0.00 -0.07 0.37 -0.51 -0.85 0.00 0.00 174.74 173.68 3hq0 s LEU 117 N -2.02 4.12 -0.02 0.89 1.43 -1.26 -0.92 118.68 120.89 3hq0 s LEU 117 Ca 0.50 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 3hq0 s LEU 117 Cb -0.22 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3hq0 s LEU 117 CO 0.28 -0.09 -0.15 -0.63 0.23 0.00 0.00 176.35 175.99 3hq0 s ILE 118 N 1.47 3.00 0.17 -0.59 -1.09 -0.21 -1.48 121.20 122.48 3hq0 s ILE 118 Ca 0.17 -0.85 0.10 0.00 -2.23 0.00 0.00 60.65 57.84 3hq0 s ILE 118 Cb -0.15 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 3hq0 s ILE 118 CO 0.08 0.52 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.49 3hq0 s GLU 119 N -0.94 1.36 -0.02 2.79 2.02 -0.17 -1.71 118.70 122.02 3hq0 s GLU 119 Ca 0.13 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.72 3hq0 s GLU 119 Cb -0.11 -1.56 -0.00 0.00 0.10 0.00 0.00 34.13 32.57 3hq0 s GLU 119 CO 0.02 0.33 -0.10 -0.51 0.02 0.00 0.00 175.26 175.02 3hq0 s LEU 120 N -2.56 1.86 0.02 1.80 1.02 -0.52 0.16 118.68 120.47 3hq0 s LEU 120 Ca 0.17 -0.20 -0.14 0.00 0.02 0.00 0.00 54.13 53.98 3hq0 s LEU 120 Cb -0.07 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.57 3hq0 s LEU 120 CO 0.08 0.09 0.30 -0.72 0.02 0.00 0.00 176.35 176.11 3hq0 s TYR 121 N 0.05 -0.12 -0.05 0.29 1.13 -0.53 -0.70 117.35 117.43 3hq0 s TYR 121 Ca -0.01 0.06 0.12 0.00 -1.41 0.00 0.00 57.07 55.83 3hq0 s TYR 121 Cb -0.07 0.09 -0.19 0.00 -1.10 0.00 0.00 41.96 40.69 3hq0 s TYR 121 CO 0.00 -0.46 0.21 0.00 -2.51 0.00 0.00 175.55 172.80 3hq0 n ALA 122 N 0.84 2.25 -2.74 9.51 0.00 -1.26 0.25 120.51 129.35 3hq0 n ALA 122 Ca -0.20 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.52 3hq0 n ALA 122 Cb 0.58 -0.32 -0.16 0.00 0.00 0.00 0.00 19.45 19.56 3hq0 n ALA 122 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hq0 s GLU 123 N -2.72 1.78 -0.27 0.00 2.02 -1.26 -4.71 118.70 113.54 3hq0 s GLU 123 Ca -0.05 -0.66 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 3hq0 s GLU 123 Cb 0.07 -1.60 0.09 0.00 0.10 0.00 0.00 34.13 32.80 3hq0 s GLU 123 CO 0.53 0.31 0.64 0.21 0.02 0.00 0.00 175.26 176.97 3hq0 s LYS 124 N -0.14 0.63 0.17 1.61 2.20 -1.26 -0.65 119.74 122.29 3hq0 s LYS 124 Ca -0.00 1.26 -0.33 0.00 -0.36 0.00 0.00 55.97 56.54 3hq0 s LYS 124 Cb -0.10 0.37 -0.15 0.00 -1.51 0.00 0.00 37.83 36.43 3hq0 s LYS 124 CO 0.01 -0.17 1.23 2.41 -0.36 0.00 0.00 175.35 178.47 3hq0 n THR 125 N 4.72 0.75 -3.10 3.43 -1.04 -0.59 -4.71 114.28 113.74 3hq0 n THR 125 Ca -0.17 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 61.24 3hq0 n THR 125 Cb 0.55 -0.94 -0.06 0.00 -1.82 0.00 0.00 70.33 68.06 3hq0 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hq0 n VAL 127 N 5.05 0.00 0.00 0.00 0.24 0.49 -4.91 118.33 119.20 3hq0 n VAL 127 Ca -0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3hq0 n VAL 127 Cb 0.49 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3hq0 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hq0 n GLY 128 N 0.89 -0.81 1.15 7.63 0.00 -0.73 -4.67 105.19 108.64 3hq0 n GLY 128 Ca 0.05 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.42 3hq0 n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hq0 n ASN 129 N -1.13 3.86 0.00 1.61 2.04 -1.24 -4.42 115.26 115.98 3hq0 n ASN 129 Ca 0.00 -3.18 0.00 0.00 -0.44 0.00 0.00 54.58 50.96 3hq0 n ASN 129 Cb 0.00 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 36.65 3hq0 n ASN 129 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hq0 n GLY 130 N -0.52 0.90 3.51 4.83 0.00 -1.26 -4.64 105.19 108.01 3hq0 n GLY 130 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 3hq0 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hq0 s ILE 131 N -3.70 3.08 0.57 -0.61 1.01 -1.26 -5.03 121.20 115.26 3hq0 s ILE 131 Ca 0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 3hq0 s ILE 131 Cb 0.00 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3hq0 s ILE 131 CO 0.00 0.24 1.23 -0.24 0.00 0.00 0.00 174.94 176.17 3hq0 n SER 132 N 1.19 2.01 -0.03 3.58 2.88 -1.26 -4.91 113.62 117.08 3hq0 n SER 132 Ca -0.15 0.91 0.13 0.00 -1.33 0.00 0.00 58.87 58.43 3hq0 n SER 132 Cb 0.52 -1.51 0.36 0.00 -0.75 0.00 0.00 64.21 62.83 3hq0 n SER 132 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3hq0 n GLU 133 N -1.10 0.11 -4.66 -1.46 2.13 -1.26 -4.04 120.64 110.36 3hq0 n GLU 133 Ca 0.12 -0.05 -0.33 0.00 0.66 0.00 0.00 57.16 57.56 3hq0 n GLU 133 Cb 0.45 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.51 3hq0 n GLU 133 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hq0 s VAL 134 N -2.93 2.36 -1.22 6.31 0.11 -1.26 -4.68 120.40 119.10 3hq0 s VAL 134 Ca 0.14 -0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 58.20 3hq0 s VAL 134 Cb 0.18 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 3hq0 s VAL 134 CO 0.64 0.53 0.72 0.59 -3.33 0.00 0.00 175.10 174.25 3hq0 n ASN 135 N 4.00 -3.59 -4.74 3.54 3.02 -1.26 -4.90 115.26 111.32 3hq0 n ASN 135 Ca -0.19 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.00 3hq0 n ASN 135 Cb 0.52 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 3hq0 n ASN 135 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hq0 s PRO 136 N -5.93 4.35 0.77 3.52 0.04 -1.26 -4.92 135.00 131.57 3hq0 s PRO 136 Ca 0.28 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 3hq0 s PRO 136 Cb -0.09 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.34 3hq0 s PRO 136 CO 0.84 -0.30 1.11 0.00 0.04 0.00 0.00 177.00 178.69 3hq0 s ALA 137 N 0.05 2.54 -0.05 8.56 0.00 -1.26 -4.96 121.76 126.64 3hq0 s ALA 137 Ca 0.57 -0.34 0.31 0.00 0.00 0.00 0.00 51.96 52.50 3hq0 s ALA 137 Cb -0.38 -3.05 1.13 0.00 0.00 0.00 0.00 23.12 20.82 3hq0 s ALA 137 CO 0.40 -1.51 1.89 -1.00 0.00 0.00 0.00 175.76 175.54 3hq0 h PRO 138 N -0.93 0.00 -1.86 0.00 0.13 -2.01 -3.48 132.00 123.86 3hq0 h PRO 138 Ca -0.46 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.04 3hq0 h PRO 138 Cb 1.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 3hq0 h PRO 138 CO 0.62 0.00 0.95 1.67 -0.23 0.00 0.00 178.00 181.01 3hq0 s TRP 139 N -3.55 0.01 0.00 1.56 1.48 -1.26 -5.15 118.94 112.02 3hq0 s TRP 139 Ca 0.03 -0.07 0.00 0.00 -1.06 0.00 0.00 56.10 55.00 3hq0 s TRP 139 Cb 0.08 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.92 3hq0 s TRP 139 CO 0.56 -0.14 0.00 0.27 -4.06 0.00 0.00 176.95 173.58 3hq0 n ASN 140 N -0.90 0.00 -0.34 -2.66 0.23 -1.26 -5.04 115.26 105.28 3hq0 n ASN 140 Ca 0.02 -0.91 0.27 0.00 -0.53 0.00 0.00 54.58 53.43 3hq0 n ASN 140 Cb 0.60 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.87 3hq0 n ASN 140 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hq0 h ALA 141 N 1.51 2.46 -0.93 -2.53 0.00 -1.99 -0.60 119.26 117.18 3hq0 h ALA 141 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3hq0 h ALA 141 Cb 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3hq0 h ALA 141 CO 0.00 -0.90 0.59 1.96 0.00 0.00 0.00 179.25 180.91 3hq0 h GLN 142 N 0.28 0.76 0.00 0.00 4.20 -1.96 0.02 115.11 118.40 3hq0 h GLN 142 Ca 0.63 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.29 3hq0 h GLN 142 Cb 1.81 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.42 3hq0 h GLN 142 CO -0.27 0.50 0.00 -0.09 -0.67 0.00 0.00 178.83 178.30 3hq0 h ARG 143 N 0.78 0.00 -0.17 1.46 2.43 -1.46 -2.25 114.38 115.17 3hq0 h ARG 143 Ca 0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.61 3hq0 h ARG 143 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hq0 h ARG 143 CO -0.23 0.00 -0.05 0.39 -1.51 0.00 0.00 179.97 178.57 3hq0 n GLU 144 N -2.92 2.11 -3.43 0.20 1.02 -0.02 -4.69 120.64 112.91 3hq0 n GLU 144 Ca -0.02 -2.84 -0.44 0.00 -0.02 0.00 0.00 57.16 53.84 3hq0 n GLU 144 Cb 0.10 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 3hq0 n GLU 144 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3hq0 s HIS 145 N -2.94 3.27 0.00 -0.32 2.46 -0.85 -4.96 115.29 111.95 3hq0 s HIS 145 Ca 0.39 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.82 3hq0 s HIS 145 Cb 0.33 -3.17 0.00 0.00 -0.13 0.00 0.00 32.58 29.61 3hq0 s HIS 145 CO 0.04 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 3hq0 n GLY 146 N 5.14 -0.16 0.24 1.59 0.00 -1.26 -3.44 105.19 107.30 3hq0 n GLY 146 Ca -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 3hq0 n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hq0 h ILE 147 N 0.00 0.98 -4.97 -0.61 2.04 -0.94 -3.45 117.51 110.56 3hq0 h ILE 147 Ca 0.00 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 3hq0 h ILE 147 Cb 0.00 0.28 0.12 0.00 -0.74 0.00 0.00 36.82 36.48 3hq0 h ILE 147 CO 0.00 0.12 -0.53 0.00 0.00 0.00 0.00 178.15 177.74 3hq0 n ALA 148 N -2.34 -2.16 -0.90 1.87 0.00 0.41 -4.92 120.51 112.47 3hq0 n ALA 148 Ca 0.07 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 3hq0 n ALA 148 Cb 0.15 -3.94 0.14 0.00 0.00 0.00 0.00 19.45 15.80 3hq0 n ALA 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hq0 s PRO 149 N -3.85 1.46 -0.03 0.00 0.04 -1.26 -4.91 135.00 126.45 3hq0 s PRO 149 Ca 0.28 1.40 0.15 0.00 0.04 0.00 0.00 61.00 62.87 3hq0 s PRO 149 Cb -0.04 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.51 3hq0 s PRO 149 CO 0.60 -2.28 0.64 -0.89 0.04 0.00 0.00 177.00 175.12 3hq0 n ILE 150 N -3.98 1.43 -3.51 0.56 -0.00 0.26 -3.81 119.36 110.31 3hq0 n ILE 150 Ca 0.11 -0.77 -0.10 0.00 -0.00 0.00 0.00 62.75 62.00 3hq0 n ILE 150 Cb 0.52 -0.87 -0.03 0.00 -0.00 0.00 0.00 39.64 39.27 3hq0 n ILE 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hq0 s GLN 151 N -2.70 0.85 -0.48 0.38 -2.07 -1.25 -3.66 119.66 110.72 3hq0 s GLN 151 Ca -0.05 -0.22 -0.29 0.00 -1.82 0.00 0.00 55.36 52.99 3hq0 s GLN 151 Cb 0.08 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.41 3hq0 s GLN 151 CO 0.82 -0.35 1.26 -1.17 -1.32 0.00 0.00 175.29 174.54 3hq0 s LEU 152 N -2.23 3.57 -0.08 2.60 2.96 -1.26 -1.90 118.68 122.34 3hq0 s LEU 152 Ca 0.03 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.21 3hq0 s LEU 152 Cb -0.01 -3.45 -0.29 0.00 0.50 0.00 0.00 46.19 42.94 3hq0 s LEU 152 CO -0.07 -1.39 0.83 -0.78 -1.32 0.00 0.00 176.35 173.62 3hq0 h ASP 153 N 9.96 0.31 -0.04 3.68 3.58 -0.84 -3.43 116.42 129.63 3hq0 h ASP 153 Ca -0.25 -0.96 0.00 0.00 0.42 0.00 0.00 57.03 56.24 3hq0 h ASP 153 Cb 1.08 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.03 3hq0 h ASP 153 CO 1.13 1.28 0.00 0.00 -2.88 0.00 0.00 179.24 178.77 3hq0 n HIS 154 N -4.27 -0.04 -3.91 0.28 1.44 -1.21 -4.61 115.22 102.89 3hq0 n HIS 154 Ca -0.14 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.48 3hq0 n HIS 154 Cb 0.72 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.76 3hq0 n HIS 154 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hq0 s LEU 156 N -2.94 1.45 0.04 0.00 0.20 0.13 -1.71 118.68 115.85 3hq0 s LEU 156 Ca 0.15 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.42 3hq0 s LEU 156 Cb 0.03 -0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 44.89 3hq0 s LEU 156 CO -0.02 -0.17 0.11 -0.76 -0.29 0.00 0.00 176.35 175.22 3hq0 s LEU 157 N 1.68 3.98 -0.19 -0.68 2.01 0.20 -1.68 118.68 124.00 3hq0 s LEU 157 Ca 0.02 0.12 -0.04 0.00 0.01 0.00 0.00 54.13 54.24 3hq0 s LEU 157 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 46.19 43.51 3hq0 s LEU 157 CO -0.08 0.21 -0.04 -0.31 1.01 0.00 0.00 176.35 177.15 3hq0 s TYR 158 N -1.35 2.98 -0.08 0.29 1.51 -0.24 -0.84 117.35 119.62 3hq0 s TYR 158 Ca 0.28 -0.60 -0.32 0.00 -1.01 0.00 0.00 57.07 55.42 3hq0 s TYR 158 Cb -0.12 -2.04 0.13 0.00 -0.11 0.00 0.00 41.96 39.82 3hq0 s TYR 158 CO 0.21 -0.30 1.34 0.20 -1.11 0.00 0.00 175.55 175.88 3hq0 s GLY 159 N 0.96 -0.41 0.75 0.71 0.00 -0.98 -1.83 107.32 106.51 3hq0 s GLY 159 Ca 0.00 0.98 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 3hq0 s GLY 159 CO 0.01 0.23 1.09 2.56 0.00 0.00 0.00 173.10 176.99 3hq0 s PRO 160 N -2.27 2.20 -1.37 2.90 0.04 0.43 -1.38 135.00 135.56 3hq0 s PRO 160 Ca 0.14 0.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.11 3hq0 s PRO 160 Cb 0.05 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3hq0 s PRO 160 CO -0.05 -1.35 1.02 0.09 0.04 0.00 0.00 177.00 176.75 3hq0 n ASN 161 N -3.09 -4.25 0.30 6.66 3.02 -1.26 -3.24 115.26 113.39 3hq0 n ASN 161 Ca 0.08 -0.67 0.16 0.00 -0.03 0.00 0.00 54.58 54.12 3hq0 n ASN 161 Cb 0.60 -4.58 0.93 0.00 -0.61 0.00 0.00 39.78 36.13 3hq0 n ASN 161 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3hq0 h ILE 162 N -2.25 0.41 -0.38 2.41 1.08 -1.93 -1.45 117.51 115.39 3hq0 h ILE 162 Ca -0.58 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 3hq0 h ILE 162 Cb 1.36 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 3hq0 h ILE 162 CO 0.58 0.03 0.12 0.00 -0.69 0.00 0.00 178.15 178.19 3hq0 h ALA 163 N 1.97 0.50 0.00 1.87 0.00 -1.89 -0.43 119.26 121.28 3hq0 h ALA 163 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hq0 h ALA 163 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hq0 h ALA 163 CO 0.00 0.14 -0.52 0.93 0.00 0.00 0.00 179.25 179.80 3hq0 h GLU 164 N 0.47 0.00 -0.31 0.00 5.08 -1.66 -2.53 114.58 115.63 3hq0 h GLU 164 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 3hq0 h GLU 164 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hq0 h GLU 164 CO -0.00 0.52 -0.42 0.28 -1.00 0.00 0.00 179.01 178.39 3hq0 h VAL 165 N 0.00 1.29 -0.23 3.13 2.07 -1.10 -2.52 116.25 118.88 3hq0 h VAL 165 Ca -0.01 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 3hq0 h VAL 165 Cb 0.94 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3hq0 h VAL 165 CO 0.07 0.52 0.14 -0.61 0.02 0.00 0.00 177.57 177.71 3hq0 h GLN 166 N 0.63 0.31 -0.42 1.57 4.15 -0.80 -1.74 115.11 118.81 3hq0 h GLN 166 Ca 0.05 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.49 3hq0 h GLN 166 Cb 0.98 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.56 3hq0 h GLN 166 CO 0.09 0.26 0.14 0.87 -1.93 0.00 0.00 178.83 178.26 3hq0 h LYS 167 N 0.28 0.29 -0.17 1.69 1.79 -1.38 -0.60 116.57 118.48 3hq0 h LYS 167 Ca 0.08 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 3hq0 h LYS 167 Cb 0.03 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3hq0 h LYS 167 CO -0.02 0.19 0.03 0.82 -1.08 0.00 0.00 179.45 179.40 3hq0 h ILE 168 N 0.30 0.93 -0.50 1.86 2.04 -1.17 0.25 117.51 121.22 3hq0 h ILE 168 Ca 0.20 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 3hq0 h ILE 168 Cb 0.19 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3hq0 h ILE 168 CO -0.21 0.02 -0.10 -0.26 0.00 0.00 0.00 178.15 177.60 3hq0 h PHE 169 N 0.10 1.06 0.12 1.37 -1.00 -0.99 -1.67 116.94 115.94 3hq0 h PHE 169 Ca 0.07 -0.22 -0.29 0.00 2.81 0.00 0.00 57.97 60.34 3hq0 h PHE 169 Cb 0.07 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 3hq0 h PHE 169 CO -0.13 1.01 -1.39 1.79 -1.61 0.00 0.00 178.31 177.97 3hq0 h THR 170 N 0.81 1.32 0.00 -1.55 1.35 -1.03 -1.43 112.91 112.37 3hq0 h THR 170 Ca 0.13 -2.92 -0.07 0.00 -0.55 0.00 0.00 66.41 63.00 3hq0 h THR 170 Cb 0.65 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.91 3hq0 h THR 170 CO 0.04 0.85 -0.93 -0.33 -0.25 0.00 0.00 175.52 174.91 3hq0 h GLU 171 N 0.07 0.00 0.00 4.72 5.08 -0.58 -3.37 114.58 120.50 3hq0 h GLU 171 Ca -0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3hq0 h GLU 171 Cb 2.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 3hq0 h GLU 171 CO 0.18 0.17 -1.30 0.28 -1.00 0.00 0.00 179.01 177.34 3hq0 n VAL 172 N -2.89 0.30 1.76 3.13 0.31 -0.65 -4.79 118.33 115.50 3hq0 n VAL 172 Ca -0.02 -0.09 0.15 0.00 -0.01 0.00 0.00 64.34 64.37 3hq0 n VAL 172 Cb 0.67 -1.32 0.76 0.00 -0.91 0.00 0.00 33.84 33.04 3hq0 n VAL 172 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hq0 n LEU 173 N -3.07 0.63 -0.52 7.52 4.32 -1.06 -4.95 117.00 119.87 3hq0 n LEU 173 Ca -0.10 -0.20 -0.06 0.00 -0.02 0.00 0.00 56.01 55.63 3hq0 n LEU 173 Cb 0.58 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 3hq0 n LEU 173 CO 0.02 0.11 -0.06 0.61 -1.22 0.00 0.00 177.39 176.84 3hq0 n GLY 174 N 1.09 0.54 4.00 -0.72 0.00 -1.02 -4.37 105.19 104.69 3hq0 n GLY 174 Ca 0.21 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 3hq0 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hq0 s PHE 175 N -2.24 2.47 0.01 1.61 0.40 -0.57 -4.73 117.98 114.93 3hq0 s PHE 175 Ca 0.00 -0.27 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 3hq0 s PHE 175 Cb 0.00 -2.60 0.01 0.00 0.51 0.00 0.00 43.02 40.94 3hq0 s PHE 175 CO 0.00 -0.89 0.19 1.52 0.70 0.00 0.00 175.22 176.74 3hq0 s TYR 176 N -2.68 0.00 -0.06 0.36 -0.85 0.02 -4.18 117.35 109.96 3hq0 s TYR 176 Ca 0.58 -0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.74 3hq0 s TYR 176 Cb -0.09 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 3hq0 s TYR 176 CO 0.38 -0.35 1.26 -0.51 -1.52 0.00 0.00 175.55 174.81 3hq0 s LEU 177 N -1.57 4.27 -0.26 -3.49 1.43 -1.26 -1.87 118.68 115.93 3hq0 s LEU 177 Ca -0.12 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 3hq0 s LEU 177 Cb -0.05 -3.55 -0.15 0.00 0.03 0.00 0.00 46.19 42.46 3hq0 s LEU 177 CO 0.01 -0.65 -0.24 0.52 0.23 0.00 0.00 176.35 176.21 3hq0 n VAL 178 N 4.79 1.53 -4.03 -1.59 0.31 -0.25 -4.10 118.33 114.99 3hq0 n VAL 178 Ca 0.12 -0.46 -0.08 0.00 -0.01 0.00 0.00 64.34 63.92 3hq0 n VAL 178 Cb 0.45 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.59 3hq0 n VAL 178 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3hq0 s GLU 179 N -2.51 0.59 0.10 5.55 2.02 -1.18 -0.88 118.70 122.41 3hq0 s GLU 179 Ca -0.36 -1.06 -0.10 0.00 0.02 0.00 0.00 54.97 53.48 3hq0 s GLU 179 Cb 0.12 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.56 3hq0 s GLU 179 CO 0.55 -0.12 0.23 -0.98 0.02 0.00 0.00 175.26 174.96 3hq0 s ARG 180 N -3.44 0.92 -0.18 1.61 1.70 -0.57 -1.43 118.95 117.55 3hq0 s ARG 180 Ca 0.02 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3hq0 s ARG 180 Cb 0.04 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 3hq0 s ARG 180 CO -0.08 -0.31 -0.18 0.08 -1.08 0.00 0.00 175.30 173.73 3hq0 s VAL 181 N -3.87 2.27 0.57 4.99 1.01 -0.66 -0.89 120.40 123.82 3hq0 s VAL 181 Ca 0.06 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 3hq0 s VAL 181 Cb 0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3hq0 s VAL 181 CO -0.10 0.52 1.03 -0.76 0.00 0.00 0.00 175.10 175.80 3hq0 s LEU 182 N 1.27 3.52 0.70 3.92 2.01 0.63 0.05 118.68 130.77 3hq0 s LEU 182 Ca 0.04 1.70 -0.11 0.00 0.01 0.00 0.00 54.13 55.77 3hq0 s LEU 182 Cb -0.13 -4.52 0.01 0.00 0.01 0.00 0.00 46.19 41.55 3hq0 s LEU 182 CO -0.11 -0.95 1.06 -0.94 1.01 0.00 0.00 176.35 176.42 3hq0 s SER 183 N -2.99 5.39 0.28 2.29 1.04 -1.14 -2.89 113.70 115.67 3hq0 s SER 183 Ca 0.61 1.57 0.01 0.00 0.48 0.00 0.00 55.95 58.63 3hq0 s SER 183 Cb -0.13 -2.45 0.68 0.00 0.10 0.00 0.00 66.02 64.21 3hq0 s SER 183 CO 0.36 -1.43 1.41 -2.65 0.98 0.00 0.00 173.24 171.91 3hq0 n PRO 184 N -3.12 -0.07 0.00 4.02 -0.02 -1.26 -4.51 135.00 130.04 3hq0 n PRO 184 Ca 0.07 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.91 3hq0 n PRO 184 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hq0 n PRO 184 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hq0 n ASP 185 N -5.33 0.00 -1.84 2.55 4.64 -1.26 -4.88 116.55 110.43 3hq0 n ASP 185 Ca 0.21 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.59 3hq0 n ASP 185 Cb 0.68 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.73 3hq0 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hq0 n GLY 186 N -0.18 1.94 0.00 0.27 0.00 -1.26 -4.86 105.19 101.11 3hq0 n GLY 186 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hq0 n GLY 186 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hq0 n ASP 187 N 2.00 0.00 0.00 1.61 9.92 -1.26 -4.91 116.55 123.90 3hq0 n ASP 187 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 3hq0 n ASP 187 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 3hq0 n ASP 187 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hq0 n SER 188 N 0.00 0.00 -3.98 -2.24 3.41 -1.26 -4.94 113.62 104.61 3hq0 n SER 188 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 3hq0 n SER 188 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3hq0 n SER 188 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hq0 s ASP 189 N 2.00 1.95 0.03 4.04 1.01 -1.26 -2.90 116.67 121.53 3hq0 s ASP 189 Ca 0.00 -0.30 0.24 0.00 0.71 0.00 0.00 52.55 53.19 3hq0 s ASP 189 Cb 0.00 -0.84 0.23 0.00 1.01 0.00 0.00 42.92 43.32 3hq0 s ASP 189 CO 0.00 -0.03 1.20 0.23 0.21 0.00 0.00 175.17 176.78 3hq0 n MET 190 N 4.28 0.12 -3.63 8.23 2.81 0.11 -4.85 117.12 124.18 3hq0 n MET 190 Ca -0.19 0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.55 3hq0 n MET 190 Cb 0.51 -1.55 -0.07 0.00 -0.71 0.00 0.00 33.22 31.40 3hq0 n MET 190 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3hq0 s GLY 191 N -3.27 -0.39 -0.04 3.03 0.00 -1.17 -0.99 107.32 104.50 3hq0 s GLY 191 Ca 0.08 0.88 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 3hq0 s GLY 191 CO 0.76 0.59 0.14 -0.26 0.00 0.00 0.00 173.10 174.33 3hq0 s ILE 192 N -1.22 0.03 -0.23 0.90 -4.36 -0.03 -1.66 121.20 114.64 3hq0 s ILE 192 Ca -0.12 -0.22 0.02 0.00 -0.26 0.00 0.00 60.65 60.07 3hq0 s ILE 192 Cb -0.02 -0.28 0.05 0.00 1.25 0.00 0.00 42.46 43.46 3hq0 s ILE 192 CO 0.07 -0.12 -0.11 0.26 0.24 0.00 0.00 174.94 175.28 3hq0 s TRP 193 N -0.37 2.85 0.06 1.37 0.51 -0.51 -1.09 118.94 121.76 3hq0 s TRP 193 Ca -0.05 -1.95 0.03 0.00 -2.12 0.00 0.00 56.10 52.01 3hq0 s TRP 193 Cb -0.03 -1.80 -0.04 0.00 -0.81 0.00 0.00 33.47 30.79 3hq0 s TRP 193 CO 0.01 -0.82 0.04 -0.51 -0.51 0.00 0.00 176.95 175.15 3hq0 s LEU 194 N 1.25 3.64 0.04 2.99 1.43 0.18 -1.09 118.68 127.12 3hq0 s LEU 194 Ca -0.04 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3hq0 s LEU 194 Cb -0.18 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hq0 s LEU 194 CO -0.07 0.21 -0.10 -0.55 0.23 0.00 0.00 176.35 176.07 3hq0 s SER 195 N -2.11 1.13 -0.12 2.29 0.15 -0.78 0.88 113.70 115.14 3hq0 s SER 195 Ca 0.25 -0.51 0.15 0.00 0.70 0.00 0.00 55.95 56.54 3hq0 s SER 195 Cb -0.12 -0.01 0.33 0.00 -1.71 0.00 0.00 66.02 64.51 3hq0 s SER 195 CO 0.17 -0.12 1.16 0.00 1.20 0.00 0.00 173.24 175.66 3hq0 n SER 197 N -0.74 1.15 -1.10 0.00 3.41 -1.26 -4.76 113.62 110.31 3hq0 n SER 197 Ca 0.13 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 3hq0 n SER 197 Cb 0.77 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.93 3hq0 n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hq0 n HIS 198 N 0.00 1.11 -3.32 7.33 1.44 -1.26 -4.65 115.22 115.87 3hq0 n HIS 198 Ca 0.00 -1.36 -0.27 0.00 -2.01 0.00 0.00 57.72 54.08 3hq0 n HIS 198 Cb 0.00 -0.45 -0.03 0.00 0.12 0.00 0.00 29.99 29.64 3hq0 n HIS 198 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hq0 s LYS 199 N -3.10 3.59 0.25 -1.40 1.02 -1.26 -3.48 119.74 115.35 3hq0 s LYS 199 Ca 0.44 -0.08 -0.04 0.00 0.02 0.00 0.00 55.97 56.32 3hq0 s LYS 199 Cb 0.39 -2.64 0.42 0.00 -0.52 0.00 0.00 37.83 35.47 3hq0 s LYS 199 CO 0.03 0.18 1.80 0.28 -0.92 0.00 0.00 175.35 176.72 3hq0 h VAL 200 N 1.16 0.86 -1.71 3.17 2.07 -1.92 -3.43 116.25 116.45 3hq0 h VAL 200 Ca -0.48 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3hq0 h VAL 200 Cb 1.20 0.06 -0.23 0.00 -1.52 0.00 0.00 31.29 30.80 3hq0 h VAL 200 CO 0.65 0.13 0.39 -1.38 0.02 0.00 0.00 177.57 177.38 3hq0 s HIS 201 N -6.02 -0.52 -0.03 1.57 0.00 -1.26 -4.54 115.29 104.49 3hq0 s HIS 201 Ca -0.12 1.13 0.19 0.00 -3.00 0.00 0.00 55.06 53.26 3hq0 s HIS 201 Cb 0.20 0.38 -0.29 0.00 -4.00 0.00 0.00 32.58 28.86 3hq0 s HIS 201 CO 0.78 -0.34 0.41 -0.25 -1.00 0.00 0.00 174.74 174.35 3hq0 n ASP 202 N 1.70 0.68 -3.55 7.38 8.00 0.25 -4.70 116.55 126.31 3hq0 n ASP 202 Ca -0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 3hq0 n ASP 202 Cb 0.56 1.86 -0.06 0.00 -0.02 0.00 0.00 41.12 43.47 3hq0 n ASP 202 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hq0 s ILE 203 N -3.31 0.00 0.03 0.53 2.07 -1.00 -4.09 121.20 115.43 3hq0 s ILE 203 Ca -0.07 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 3hq0 s ILE 203 Cb 0.12 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 3hq0 s ILE 203 CO 0.79 0.00 -0.03 0.00 -1.91 0.00 0.00 174.94 173.78 3hq0 s ALA 204 N -1.14 0.30 0.01 1.50 0.00 -0.69 -0.65 121.76 121.08 3hq0 s ALA 204 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3hq0 s ALA 204 Cb -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3hq0 s ALA 204 CO 0.05 -0.23 -0.06 -0.06 0.00 0.00 0.00 175.76 175.46 3hq0 s PHE 205 N -2.40 0.54 -0.07 0.00 0.40 -0.25 -0.63 117.98 115.56 3hq0 s PHE 205 Ca -0.07 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.13 3hq0 s PHE 205 Cb -0.03 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.16 3hq0 s PHE 205 CO -0.04 -0.02 -0.19 0.08 0.70 0.00 0.00 175.22 175.75 3hq0 s VAL 206 N -0.37 1.62 0.04 -0.44 1.01 -0.02 -0.85 120.40 121.39 3hq0 s VAL 206 Ca -0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3hq0 s VAL 206 Cb -0.04 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3hq0 s VAL 206 CO -0.00 0.46 1.91 -0.70 0.00 0.00 0.00 175.10 176.77 3hq0 s GLU 207 N 0.37 4.15 -0.12 2.72 2.56 -0.16 -2.31 118.70 125.91 3hq0 s GLU 207 Ca -0.14 2.56 -0.10 0.00 0.00 0.00 0.00 54.97 57.29 3hq0 s GLU 207 Cb -0.16 -4.06 0.03 0.00 2.00 0.00 0.00 34.13 31.94 3hq0 s GLU 207 CO 0.06 -0.93 0.31 -0.47 -0.56 0.00 0.00 175.26 173.67 3hq0 s TYR 208 N 4.16 -0.34 0.16 5.30 5.04 -0.48 -4.81 117.35 126.37 3hq0 s TYR 208 Ca 0.86 0.83 -0.16 0.00 -2.44 0.00 0.00 57.07 56.16 3hq0 s TYR 208 Cb -0.42 0.12 0.09 0.00 0.35 0.00 0.00 41.96 42.10 3hq0 s TYR 208 CO 0.39 -0.17 1.74 -1.35 -1.34 0.00 0.00 175.55 174.82 3hq0 h PRO 209 N 5.76 0.23 -6.52 4.97 0.11 -1.93 0.12 132.00 134.74 3hq0 h PRO 209 Ca -0.27 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.29 3hq0 h PRO 209 Cb 1.19 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hq0 h PRO 209 CO 0.32 0.15 0.65 -2.00 -0.21 0.00 0.00 178.00 176.91 3hq0 s GLU 210 N -6.16 4.37 0.45 1.05 2.12 -1.26 -4.44 118.70 114.83 3hq0 s GLU 210 Ca -0.13 1.94 -0.16 0.00 0.36 0.00 0.00 54.97 56.98 3hq0 s GLU 210 Cb 0.13 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 3hq0 s GLU 210 CO 0.71 -0.35 0.90 0.15 -0.54 0.00 0.00 175.26 176.13 3hq0 s LYS 211 N 1.07 3.97 -0.02 4.30 1.02 -1.26 -3.96 119.74 124.85 3hq0 s LYS 211 Ca 0.62 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.45 3hq0 s LYS 211 Cb -0.34 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3hq0 s LYS 211 CO 0.30 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 3hq0 n GLY 212 N -1.19 0.23 3.76 -3.33 0.00 -0.11 -4.94 105.19 99.61 3hq0 n GLY 212 Ca 0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hq0 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hq0 s LYS 213 N -1.18 4.40 -0.29 1.61 -0.14 -0.76 -4.69 119.74 118.69 3hq0 s LYS 213 Ca 0.00 2.12 -0.06 0.00 -1.36 0.00 0.00 55.97 56.67 3hq0 s LYS 213 Cb 0.00 -3.12 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 3hq0 s LYS 213 CO 0.00 -0.15 0.06 -1.17 -0.76 0.00 0.00 175.35 173.33 3hq0 s LEU 214 N -1.27 3.81 -0.09 3.17 1.98 -1.26 -1.08 118.68 123.94 3hq0 s LEU 214 Ca 0.51 -0.77 -0.08 0.00 -2.89 0.00 0.00 54.13 50.90 3hq0 s LEU 214 Cb -0.38 -1.85 -0.06 0.00 0.66 0.00 0.00 46.19 44.56 3hq0 s LEU 214 CO 0.47 -0.20 0.26 -0.74 -1.89 0.00 0.00 176.35 174.25 3hq0 h HIS 215 N 8.20 -0.09 -2.22 5.38 -0.00 -1.66 -3.46 115.15 121.30 3hq0 h HIS 215 Ca -0.31 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.14 3hq0 h HIS 215 Cb 1.12 0.03 -0.16 0.00 -0.00 0.00 0.00 27.41 28.40 3hq0 h HIS 215 CO 0.61 0.09 0.45 -3.38 -0.00 0.00 0.00 177.93 175.70 3hq0 s HIS 216 N -2.05 -0.39 0.01 5.26 -3.43 -1.13 -4.20 115.29 109.36 3hq0 s HIS 216 Ca -0.05 0.35 0.01 0.00 -0.80 0.00 0.00 55.06 54.58 3hq0 s HIS 216 Cb -0.00 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 3hq0 s HIS 216 CO 0.16 -0.55 0.06 0.00 -2.00 0.00 0.00 174.74 172.41 3hq0 s SER 218 N -1.81 3.13 -0.09 0.00 0.15 0.19 -0.50 113.70 114.77 3hq0 s SER 218 Ca 0.23 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.33 3hq0 s SER 218 Cb -0.12 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 3hq0 s SER 218 CO 0.14 0.26 -0.18 -0.36 1.20 0.00 0.00 173.24 174.30 3hq0 s PHE 219 N -0.80 2.06 0.14 3.44 0.40 0.22 -0.08 117.98 123.36 3hq0 s PHE 219 Ca 0.12 -0.84 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 3hq0 s PHE 219 Cb -0.10 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.93 3hq0 s PHE 219 CO 0.02 -0.37 0.88 -1.17 0.70 0.00 0.00 175.22 175.28 3hq0 s LEU 220 N 0.55 4.55 0.25 -0.37 2.96 -0.80 -1.80 118.68 124.03 3hq0 s LEU 220 Ca -0.16 1.74 0.10 0.00 -0.22 0.00 0.00 54.13 55.59 3hq0 s LEU 220 Cb -0.17 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3hq0 s LEU 220 CO 0.06 0.07 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.36 3hq0 s LEU 221 N -0.56 3.11 0.22 -0.68 1.02 0.29 -0.58 118.68 121.50 3hq0 s LEU 221 Ca 0.41 -0.67 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 3hq0 s LEU 221 Cb -0.23 -1.66 0.21 0.00 0.02 0.00 0.00 46.19 44.53 3hq0 s LEU 221 CO 0.28 0.02 1.59 -0.33 0.02 0.00 0.00 176.35 177.93 3hq0 h GLU 222 N 2.08 0.57 -3.61 1.70 5.08 -1.93 -3.41 114.58 115.06 3hq0 h GLU 222 Ca -0.44 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 57.48 3hq0 h GLU 222 Cb 1.24 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 3hq0 h GLU 222 CO 0.59 0.88 0.01 -1.54 -1.00 0.00 0.00 179.01 177.95 3hq0 s SER 223 N -6.85 0.44 0.20 1.42 1.04 -1.26 -5.00 113.70 103.68 3hq0 s SER 223 Ca -0.07 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.00 3hq0 s SER 223 Cb 0.12 0.73 0.12 0.00 0.10 0.00 0.00 66.02 67.10 3hq0 s SER 223 CO 0.82 -1.44 1.65 -0.25 0.98 0.00 0.00 173.24 175.00 3hq0 h TRP 224 N 2.07 1.09 0.00 5.02 -0.00 -1.93 -2.57 115.95 119.64 3hq0 h TRP 224 Ca -0.29 -0.20 -0.06 0.00 -0.00 0.00 0.00 58.89 58.35 3hq0 h TRP 224 Cb 1.24 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.11 3hq0 h TRP 224 CO 1.32 0.99 -0.27 0.93 -0.00 0.00 0.00 178.44 181.42 3hq0 h GLU 225 N 0.91 0.00 -0.07 2.65 5.08 -1.99 -1.22 114.58 119.93 3hq0 h GLU 225 Ca 0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3hq0 h GLU 225 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hq0 h GLU 225 CO 0.03 0.27 -0.37 1.96 -1.00 0.00 0.00 179.01 179.91 3hq0 h GLN 226 N 0.00 0.15 -0.29 2.33 1.08 -1.86 0.54 115.11 117.05 3hq0 h GLN 226 Ca -0.00 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3hq0 h GLN 226 Cb 0.49 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 3hq0 h GLN 226 CO 0.03 0.50 -0.03 0.28 -0.95 0.00 0.00 178.83 178.66 3hq0 h VAL 227 N 0.13 1.27 -0.70 -0.54 2.07 -1.06 0.12 116.25 117.54 3hq0 h VAL 227 Ca 0.01 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3hq0 h VAL 227 Cb 0.71 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3hq0 h VAL 227 CO 0.05 0.32 0.43 0.25 0.02 0.00 0.00 177.57 178.65 3hq0 h LEU 228 N 0.32 0.70 -0.32 2.57 5.85 -0.95 -1.16 115.31 122.32 3hq0 h LEU 228 Ca 0.08 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hq0 h LEU 228 Cb 0.49 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3hq0 h LEU 228 CO 0.02 0.48 0.19 -0.09 -0.34 0.00 0.00 178.44 178.70 3hq0 h ARG 229 N 0.84 0.38 -0.81 1.25 2.43 -0.57 -1.80 114.38 116.10 3hq0 h ARG 229 Ca 0.29 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.53 3hq0 h ARG 229 Cb 0.05 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3hq0 h ARG 229 CO -0.12 0.25 0.53 0.00 -1.51 0.00 0.00 179.97 179.12 3hq0 h ALA 230 N 1.14 1.75 -0.76 2.80 0.00 -0.04 0.52 119.26 124.66 3hq0 h ALA 230 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hq0 h ALA 230 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hq0 h ALA 230 CO -0.05 0.08 0.31 0.78 0.00 0.00 0.00 179.25 180.37 3hq0 h GLY 231 N 0.75 1.20 1.03 0.00 0.00 -0.40 -1.12 103.07 104.53 3hq0 h GLY 231 Ca 0.38 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 3hq0 h GLY 231 CO -0.15 0.60 -0.28 -0.55 0.00 0.00 0.00 176.54 176.16 3hq0 h ASP 232 N 1.10 0.86 -0.43 0.19 3.32 -0.41 -2.15 116.42 118.91 3hq0 h ASP 232 Ca 0.26 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3hq0 h ASP 232 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3hq0 h ASP 232 CO -0.02 1.13 0.03 0.40 -1.72 0.00 0.00 179.24 179.05 3hq0 h ILE 233 N 0.60 1.24 0.14 0.35 2.04 -0.83 -0.76 117.51 120.29 3hq0 h ILE 233 Ca 0.07 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3hq0 h ILE 233 Cb 0.85 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3hq0 h ILE 233 CO 0.07 0.34 -0.07 0.24 0.00 0.00 0.00 178.15 178.74 3hq0 h MET 234 N 0.76 -0.18 -0.82 2.37 2.86 -1.11 -1.92 114.93 116.89 3hq0 h MET 234 Ca 0.15 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.92 3hq0 h MET 234 Cb 0.42 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 3hq0 h MET 234 CO 0.01 0.07 0.44 1.03 1.06 0.00 0.00 176.91 179.53 3hq0 h SER 235 N -0.42 0.60 -0.05 1.22 0.87 -1.19 -0.99 113.55 113.59 3hq0 h SER 235 Ca -0.02 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3hq0 h SER 235 Cb 0.34 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3hq0 h SER 235 CO 0.03 0.32 -0.09 -0.03 -0.53 0.00 0.00 176.83 176.52 3hq0 h MET 236 N 0.71 0.31 -0.64 2.24 -1.53 -0.96 -2.68 114.93 112.37 3hq0 h MET 236 Ca 0.41 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.60 3hq0 h MET 236 Cb 0.46 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 3hq0 h MET 236 CO -0.29 0.42 0.00 0.09 0.14 0.00 0.00 176.91 177.27 3hq0 n ASN 237 N -4.28 4.48 -1.88 1.39 4.13 -0.55 -4.91 115.26 113.63 3hq0 n ASN 237 Ca -0.00 -2.48 -0.19 0.00 1.68 0.00 0.00 54.58 53.59 3hq0 n ASN 237 Cb 0.26 -0.57 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 3hq0 n ASN 237 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hq0 n GLU 238 N 0.92 -1.56 -1.83 3.52 -0.58 -0.84 -4.93 120.64 115.34 3hq0 n GLU 238 Ca 0.23 1.07 -0.41 0.00 -0.42 0.00 0.00 57.16 57.63 3hq0 n GLU 238 Cb 0.86 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 3hq0 n GLU 238 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hq0 s VAL 239 N -2.76 2.10 -0.47 2.62 1.01 -0.49 -4.92 120.40 117.49 3hq0 s VAL 239 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3hq0 s VAL 239 Cb 0.00 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3hq0 s VAL 239 CO 0.00 0.02 1.23 0.20 0.00 0.00 0.00 175.10 176.55 3hq0 s ASN 240 N -0.26 6.52 -0.12 3.32 -0.87 -1.26 -4.73 114.94 117.54 3hq0 s ASN 240 Ca 0.54 0.53 -0.16 0.00 -1.57 0.00 0.00 52.86 52.20 3hq0 s ASN 240 Cb -0.45 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.18 3hq0 s ASN 240 CO 0.61 -1.34 0.39 -0.69 -2.57 0.00 0.00 177.10 173.50 3hq0 s VAL 241 N 4.82 5.22 -0.01 1.60 1.01 -1.26 -0.90 120.40 130.89 3hq0 s VAL 241 Ca 0.51 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 3hq0 s VAL 241 Cb -0.09 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hq0 s VAL 241 CO 0.32 0.38 0.15 -0.78 0.00 0.00 0.00 175.10 175.17 3hq0 h ASP 242 N 6.47 -0.01 -3.25 3.32 1.82 -0.63 -3.46 116.42 120.68 3hq0 h ASP 242 Ca -0.42 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.72 3hq0 h ASP 242 Cb 1.18 0.00 -0.38 0.00 0.68 0.00 0.00 39.33 40.81 3hq0 h ASP 242 CO 0.74 0.02 -0.78 -0.51 -1.61 0.00 0.00 179.24 177.10 3hq0 s ILE 243 N -1.37 0.75 1.15 2.25 1.10 -1.00 -5.00 121.20 119.09 3hq0 s ILE 243 Ca -0.00 -0.24 -0.17 0.00 -0.51 0.00 0.00 60.65 59.74 3hq0 s ILE 243 Cb 0.00 -0.90 0.24 0.00 0.15 0.00 0.00 42.46 41.94 3hq0 s ILE 243 CO 0.01 0.21 0.51 0.61 -2.11 0.00 0.00 174.94 174.17 3hq0 n GLY 244 N 5.02 -2.88 3.64 1.50 0.00 -1.26 -2.16 105.19 109.04 3hq0 n GLY 244 Ca -0.10 -1.09 -0.49 0.00 0.00 0.00 0.00 46.02 44.34 3hq0 n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hq0 n PRO 245 N -3.07 1.74 -3.50 1.61 -0.04 -1.26 -4.61 135.00 125.88 3hq0 n PRO 245 Ca 0.08 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 64.05 3hq0 n PRO 245 Cb 0.43 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 3hq0 n PRO 245 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3hq0 s THR 246 N 1.10 0.00 -0.11 0.52 -1.32 -0.69 -4.98 115.64 110.16 3hq0 s THR 246 Ca 0.83 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 61.01 3hq0 s THR 246 Cb -0.80 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 3hq0 s THR 246 CO 0.43 0.00 1.11 -0.60 -2.21 0.00 0.00 174.62 173.35 3hq0 s ARG 247 N -2.38 4.36 0.00 7.08 6.06 -1.26 -1.58 118.95 131.23 3hq0 s ARG 247 Ca -0.01 1.53 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 3hq0 s ARG 247 Cb -0.01 -3.58 0.00 0.00 0.06 0.00 0.00 34.95 31.42 3hq0 s ARG 247 CO -0.03 -0.44 0.00 0.72 -2.50 0.00 0.00 175.30 173.05 3hq0 n HIS 248 N 5.38 0.00 0.00 5.12 8.25 0.64 -4.98 115.22 129.63 3hq0 n HIS 248 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3hq0 n HIS 248 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3hq0 n HIS 248 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hq0 n GLY 249 N 1.77 -0.03 1.82 -1.41 0.00 -1.26 -4.86 105.19 101.22 3hq0 n GLY 249 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 3hq0 n GLY 249 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hq0 n VAL 250 N 0.00 1.82 0.00 1.61 0.24 -1.26 -2.63 118.33 118.11 3hq0 n VAL 250 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3hq0 n VAL 250 Cb 0.00 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 30.79 3hq0 n VAL 250 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3hq0 n THR 251 N 2.02 0.00 -1.42 3.34 5.66 -1.26 -4.92 114.28 117.71 3hq0 n THR 251 Ca 0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 3hq0 n THR 251 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 3hq0 n THR 251 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hq0 n ARG 252 N 0.00 -1.26 -3.04 1.09 1.74 -1.08 -3.89 116.66 110.21 3hq0 n ARG 252 Ca 0.00 0.99 -0.35 0.00 -0.77 0.00 0.00 57.85 57.72 3hq0 n ARG 252 Cb 0.00 -5.21 -0.06 0.00 -1.02 0.00 0.00 32.46 26.16 3hq0 n ARG 252 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hq0 s GLY 253 N -2.68 2.57 -0.32 -0.13 0.00 -1.26 -3.92 107.32 101.57 3hq0 s GLY 253 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.85 3hq0 s GLY 253 CO 0.00 0.54 0.12 0.00 0.00 0.00 0.00 173.10 173.76 3hq0 s THR 255 N 1.49 0.00 -0.03 0.00 -1.32 -0.61 -2.37 115.64 112.79 3hq0 s THR 255 Ca 0.01 -1.82 0.01 0.00 -1.21 0.00 0.00 61.69 58.68 3hq0 s THR 255 Cb -0.18 -2.49 0.03 0.00 -1.51 0.00 0.00 72.50 68.35 3hq0 s THR 255 CO 0.04 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.81 3hq0 s ILE 256 N -3.70 0.25 -0.20 5.08 1.01 -0.98 -1.70 121.20 120.96 3hq0 s ILE 256 Ca 0.35 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 3hq0 s ILE 256 Cb 0.03 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 3hq0 s ILE 256 CO 0.18 0.16 0.08 -0.31 0.00 0.00 0.00 174.94 175.05 3hq0 s TYR 257 N 0.98 3.26 0.19 3.97 2.02 -0.92 -2.40 117.35 124.45 3hq0 s TYR 257 Ca -0.10 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3hq0 s TYR 257 Cb -0.14 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3hq0 s TYR 257 CO -0.01 0.11 0.15 0.00 -1.57 0.00 0.00 175.55 174.23 3hq0 s ALA 258 N 0.58 1.01 0.13 3.71 0.00 -0.75 0.13 121.76 126.58 3hq0 s ALA 258 Ca 0.04 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.47 3hq0 s ALA 258 Cb -0.13 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 3hq0 s ALA 258 CO 0.01 -0.60 -0.06 -1.58 0.00 0.00 0.00 175.76 173.53 3hq0 s TRP 259 N -4.13 2.79 0.78 0.00 0.51 -0.08 -0.47 118.94 118.33 3hq0 s TRP 259 Ca 0.36 -0.14 -0.11 0.00 -2.12 0.00 0.00 56.10 54.08 3hq0 s TRP 259 Cb 0.06 -1.41 0.06 0.00 -0.81 0.00 0.00 33.47 31.37 3hq0 s TRP 259 CO 0.10 0.47 1.09 0.34 -0.51 0.00 0.00 176.95 178.45 3hq0 s ASP 260 N -2.52 4.66 0.52 2.95 3.68 0.17 -4.41 116.67 121.72 3hq0 s ASP 260 Ca 0.24 1.36 0.30 0.00 2.13 0.00 0.00 52.55 56.57 3hq0 s ASP 260 Cb -0.10 -2.12 1.34 0.00 -1.45 0.00 0.00 42.92 40.59 3hq0 s ASP 260 CO 0.16 -1.87 1.99 -0.65 0.13 0.00 0.00 175.17 174.93 3hq0 h PRO 261 N -1.02 0.00 -0.00 4.34 0.11 -1.92 -1.33 132.00 132.18 3hq0 h PRO 261 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hq0 h PRO 261 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hq0 h PRO 261 CO 0.59 0.11 -0.20 0.43 -0.21 0.00 0.00 178.00 178.71 3hq0 n SER 262 N -3.35 0.23 0.00 -2.05 7.64 -1.26 -4.91 113.62 109.91 3hq0 n SER 262 Ca -0.01 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3hq0 n SER 262 Cb 0.31 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3hq0 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hq0 n GLY 263 N 1.49 0.95 3.65 0.23 0.00 -0.50 -4.78 105.19 106.22 3hq0 n GLY 263 Ca 0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3hq0 n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hq0 s ASN 264 N -2.06 6.71 0.11 1.61 0.02 -1.26 -4.72 114.94 115.35 3hq0 s ASN 264 Ca 0.00 0.87 -0.28 0.00 -1.02 0.00 0.00 52.86 52.43 3hq0 s ASN 264 Cb 0.00 -2.37 -0.06 0.00 0.02 0.00 0.00 41.25 38.84 3hq0 s ASN 264 CO 0.00 -0.34 0.88 -0.60 0.02 0.00 0.00 177.10 177.05 3hq0 s ARG 265 N 2.21 4.64 0.21 -0.60 3.52 -1.26 0.42 118.95 128.08 3hq0 s ARG 265 Ca 0.30 1.30 0.04 0.00 -0.13 0.00 0.00 55.73 57.24 3hq0 s ARG 265 Cb -0.16 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3hq0 s ARG 265 CO 0.10 0.30 -0.04 -0.59 -0.81 0.00 0.00 175.30 174.26 3hq0 s PHE 266 N -0.24 1.50 0.01 5.12 -0.12 0.38 -2.68 117.98 121.95 3hq0 s PHE 266 Ca 0.43 -0.86 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 3hq0 s PHE 266 Cb -0.23 -0.84 -0.02 0.00 -0.63 0.00 0.00 43.02 41.31 3hq0 s PHE 266 CO 0.27 0.01 -0.18 -2.00 -0.05 0.00 0.00 175.22 173.28 3hq0 s GLU 267 N -3.82 1.36 -0.23 1.99 2.12 0.34 -1.80 118.70 118.66 3hq0 s GLU 267 Ca 0.25 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.85 3hq0 s GLU 267 Cb 0.05 -1.36 0.06 0.00 0.26 0.00 0.00 34.13 33.13 3hq0 s GLU 267 CO 0.07 0.36 -0.06 0.95 -0.54 0.00 0.00 175.26 176.04 3hq0 s THR 268 N -0.58 1.55 0.33 -1.70 -4.23 -1.01 0.72 115.64 110.72 3hq0 s THR 268 Ca 0.06 -1.17 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 3hq0 s THR 268 Cb -0.08 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 3hq0 s THR 268 CO 0.00 -0.04 0.30 2.22 -0.54 0.00 0.00 174.62 176.56 3hq0 n PHE 269 N 4.68 -0.85 -3.53 3.99 -1.74 -0.75 -2.32 117.46 116.95 3hq0 n PHE 269 Ca -0.13 -2.71 -0.15 0.00 -0.56 0.00 0.00 57.45 53.91 3hq0 n PHE 269 Cb 0.45 0.31 -0.05 0.00 1.52 0.00 0.00 39.48 41.71 3hq0 n PHE 269 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hq0 s MET 270 N -3.28 0.93 0.00 3.97 0.23 -1.00 0.10 119.30 120.25 3hq0 s MET 270 Ca 0.38 0.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.16 3hq0 s MET 270 Cb 0.02 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 3hq0 s MET 270 CO 0.27 -0.31 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 3hq0 n GLY 271 N 0.66 2.12 0.00 3.16 0.00 -1.26 -1.95 105.19 107.92 3hq0 n GLY 271 Ca -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3hq0 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hq0 n GLY 272 N -0.02 3.63 0.00 -0.02 0.00 -1.25 -4.68 105.19 102.86 3hq0 n GLY 272 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3hq0 n GLY 272 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hq0 n TYR 273 N -1.29 -2.99 -3.79 1.61 0.18 -1.26 -5.05 117.16 104.56 3hq0 n TYR 273 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 3hq0 n TYR 273 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 3hq0 n TYR 273 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3hq0 s HIS 274 N 0.15 2.99 0.64 -3.48 3.76 -1.26 -4.35 115.29 113.74 3hq0 s HIS 274 Ca 0.00 -3.10 -0.13 0.00 -0.15 0.00 0.00 55.06 51.68 3hq0 s HIS 274 Cb 0.00 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 3hq0 s HIS 274 CO 0.00 -0.62 1.06 -1.25 -0.85 0.00 0.00 174.74 173.08 3hq0 s PRO 275 N -1.05 3.10 0.11 8.40 0.04 -1.23 -5.00 135.00 139.38 3hq0 s PRO 275 Ca 0.26 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3hq0 s PRO 275 Cb -0.04 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3hq0 s PRO 275 CO -0.16 -0.98 -0.09 0.71 0.04 0.00 0.00 177.00 176.52 3hq0 s TYR 276 N -2.71 1.06 0.42 0.56 2.02 -1.26 -4.23 117.35 113.20 3hq0 s TYR 276 Ca 0.61 -0.76 0.25 0.00 -0.37 0.00 0.00 57.07 56.80 3hq0 s TYR 276 Cb -0.15 -0.57 1.30 0.00 -0.40 0.00 0.00 41.96 42.13 3hq0 s TYR 276 CO 0.45 -0.02 1.68 -1.35 -1.57 0.00 0.00 175.55 174.74 3hq0 h PRO 277 N 3.17 0.19 0.00 -1.71 0.11 -1.98 -0.37 132.00 131.41 3hq0 h PRO 277 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hq0 h PRO 277 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hq0 h PRO 277 CO 0.59 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3hq0 n ASP 278 N -4.70 0.00 -4.83 -2.05 5.75 -1.26 -4.85 116.55 104.61 3hq0 n ASP 278 Ca 0.33 -0.13 -0.33 0.00 -0.01 0.00 0.00 54.79 54.65 3hq0 n ASP 278 Cb 1.22 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.99 3hq0 n ASP 278 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3hq0 s TYR 279 N -2.50 3.39 0.26 2.11 4.12 -0.15 -5.07 117.35 119.51 3hq0 s TYR 279 Ca 0.23 1.39 -0.12 0.00 0.02 0.00 0.00 57.07 58.59 3hq0 s TYR 279 Cb 0.16 -2.66 -0.08 0.00 -1.52 0.00 0.00 41.96 37.85 3hq0 s TYR 279 CO 0.34 0.05 0.63 -1.21 0.02 0.00 0.00 175.55 175.38 3hq0 s GLU 280 N -2.92 3.90 0.70 -0.62 0.41 -1.26 -4.96 118.70 113.95 3hq0 s GLU 280 Ca 0.56 0.46 -0.13 0.00 -0.41 0.00 0.00 54.97 55.44 3hq0 s GLU 280 Cb -0.11 -2.59 0.02 0.00 -1.78 0.00 0.00 34.13 29.68 3hq0 s GLU 280 CO 0.17 0.27 1.10 -1.25 -0.49 0.00 0.00 175.26 175.06 3hq0 s PRO 281 N -2.80 2.60 0.26 0.39 0.04 -1.26 -4.98 135.00 129.25 3hq0 s PRO 281 Ca 0.49 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3hq0 s PRO 281 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3hq0 s PRO 281 CO 0.20 -1.40 0.49 -0.51 0.04 0.00 0.00 177.00 175.81 3hq0 s LEU 282 N -5.25 4.12 0.06 -3.56 1.43 -0.06 -4.96 118.68 110.47 3hq0 s LEU 282 Ca 0.65 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.36 3hq0 s LEU 282 Cb -0.19 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3hq0 s LEU 282 CO 0.47 -0.15 -0.18 -0.44 0.23 0.00 0.00 176.35 176.28 3hq0 s SER 283 N -3.31 2.11 -0.04 2.29 0.01 -1.26 -1.52 113.70 111.99 3hq0 s SER 283 Ca 0.41 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.15 3hq0 s SER 283 Cb -0.11 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 3hq0 s SER 283 CO 0.30 0.05 -0.17 0.26 0.41 0.00 0.00 173.24 174.10 3hq0 s TRP 284 N -0.99 1.66 0.57 2.43 0.52 -0.07 -4.95 118.94 118.11 3hq0 s TRP 284 Ca 0.04 -0.48 -0.17 0.00 0.02 0.00 0.00 56.10 55.51 3hq0 s TRP 284 Cb -0.09 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 3hq0 s TRP 284 CO 0.02 -0.16 1.08 0.95 0.02 0.00 0.00 176.95 178.86 3hq0 s THR 285 N 0.06 3.55 0.20 2.01 -4.23 -1.26 -0.27 115.64 115.70 3hq0 s THR 285 Ca -0.04 0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 61.19 3hq0 s THR 285 Cb -0.11 -3.32 0.13 0.00 1.34 0.00 0.00 72.50 70.53 3hq0 s THR 285 CO 0.02 -0.34 1.79 0.22 -0.54 0.00 0.00 174.62 175.77 3hq0 h TYR 286 N 0.76 0.57 -0.06 3.99 3.20 -1.77 -1.03 116.97 122.63 3hq0 h TYR 286 Ca -0.48 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.43 3hq0 h TYR 286 Cb 1.23 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 3hq0 h TYR 286 CO 0.56 0.26 0.07 0.38 -1.64 0.00 0.00 178.16 177.78 3hq0 h ASP 287 N 0.58 0.00 0.06 -2.11 3.04 -1.92 0.30 116.42 116.38 3hq0 h ASP 287 Ca 0.28 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.98 3hq0 h ASP 287 Cb 0.21 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.51 3hq0 h ASP 287 CO -0.20 0.00 -0.41 -1.13 -2.04 0.00 0.00 179.24 175.47 3hq0 h ASN 288 N 0.00 0.25 -0.85 4.15 -0.73 -1.60 -3.29 115.58 113.51 3hq0 h ASN 288 Ca 0.03 -0.95 0.07 0.00 1.87 0.00 0.00 56.30 57.32 3hq0 h ASN 288 Cb 0.16 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.62 3hq0 h ASN 288 CO -0.00 1.18 0.55 0.15 -0.37 0.00 0.00 177.43 178.94 3hq0 h PHE 289 N -0.64 0.94 -0.00 0.67 3.57 -0.17 -1.06 116.94 120.25 3hq0 h PHE 289 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3hq0 h PHE 289 Cb 1.30 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hq0 h PHE 289 CO 0.23 0.49 0.05 0.00 -2.23 0.00 0.00 178.31 176.85 3hq0 h ALA 290 N 1.55 1.08 -0.01 2.41 0.00 -0.53 0.66 119.26 124.41 3hq0 h ALA 290 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hq0 h ALA 290 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hq0 h ALA 290 CO -0.14 -0.05 -0.54 1.04 0.00 0.00 0.00 179.25 179.57 3hq0 n GLN 291 N -3.10 1.23 -2.06 0.00 6.02 -0.42 -4.90 117.38 114.16 3hq0 n GLN 291 Ca -0.03 -0.72 -0.29 0.00 -0.01 0.00 0.00 57.00 55.96 3hq0 n GLN 291 Cb 0.12 -1.40 0.18 0.00 1.02 0.00 0.00 30.24 30.15 3hq0 n GLN 291 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hq0 s GLY 292 N -2.40 1.78 0.38 1.08 0.00 0.22 -5.00 107.32 103.40 3hq0 s GLY 292 Ca 0.14 -1.33 0.26 0.00 0.00 0.00 0.00 44.72 43.80 3hq0 s GLY 292 CO 0.58 -0.58 1.75 1.41 0.00 0.00 0.00 173.10 176.26 3hq0 h LEU 293 N -1.46 0.00 -2.32 0.66 4.07 -1.94 -3.25 115.31 111.06 3hq0 h LEU 293 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3hq0 h LEU 293 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3hq0 h LEU 293 CO 0.37 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.20 3hq0 n ASP 294 N -2.77 3.42 -4.70 -0.43 8.00 -1.26 -4.95 116.55 113.86 3hq0 n ASP 294 Ca 0.03 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 3hq0 n ASP 294 Cb 0.41 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3hq0 n ASP 294 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3hq0 s TYR 295 N -1.30 2.98 0.31 1.24 5.04 -1.23 -4.91 117.35 119.48 3hq0 s TYR 295 Ca 0.42 0.83 0.07 0.00 -2.44 0.00 0.00 57.07 55.94 3hq0 s TYR 295 Cb 0.23 -3.70 0.88 0.00 0.35 0.00 0.00 41.96 39.72 3hq0 s TYR 295 CO 0.31 -2.56 1.62 -1.35 -1.34 0.00 0.00 175.55 172.23 3hq0 h PRO 296 N 7.43 0.15 -6.65 4.97 0.11 -1.93 -3.32 132.00 132.75 3hq0 h PRO 296 Ca -0.40 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.19 3hq0 h PRO 296 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hq0 h PRO 296 CO 0.89 0.10 0.11 -1.14 -0.21 0.00 0.00 178.00 177.75 3hq0 s GLN 297 N -5.84 4.14 0.00 1.05 0.74 -1.26 -5.26 119.66 113.23 3hq0 s GLN 297 Ca -0.11 0.79 0.00 0.00 0.05 0.00 0.00 55.36 56.08 3hq0 s GLN 297 Cb 0.29 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.74 3hq0 s GLN 297 CO 0.78 0.27 0.00 -2.13 -0.55 0.00 0.00 175.29 173.66