#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 4.03 0.40 0.00 -1.94 -1.26 -5.05 119.30 115.48 3hq0 s MET 3 Ca 0.00 0.26 0.05 0.00 -1.71 0.00 0.00 55.69 54.29 3hq0 s MET 3 Cb 0.00 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 3hq0 s MET 3 CO 0.00 -0.37 0.19 0.95 -0.01 0.00 0.00 175.02 175.78 3hq0 s THR 4 N 2.30 0.36 0.00 2.05 -4.23 -1.26 -4.98 115.64 109.88 3hq0 s THR 4 Ca 0.20 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3hq0 s THR 4 Cb -0.16 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3hq0 s THR 4 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3hq0 n GLY 5 N -0.87 3.99 3.63 3.99 0.00 -1.26 -4.31 105.19 110.35 3hq0 n GLY 5 Ca -0.02 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 4.67 -0.14 1.61 1.01 -1.26 -0.25 120.40 126.03 3hq0 s VAL 6 Ca 0.00 1.48 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 3hq0 s VAL 6 Cb 0.00 -4.27 -0.16 0.00 0.00 0.00 0.00 36.38 31.95 3hq0 s VAL 6 CO 0.00 -0.34 0.39 -0.07 0.00 0.00 0.00 175.10 175.08 3hq0 h LEU 7 N 9.72 0.00 -7.59 3.92 3.38 -1.34 -3.45 115.31 119.94 3hq0 h LEU 7 Ca -0.22 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.41 3hq0 h LEU 7 Cb 1.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 3hq0 h LEU 7 CO 0.95 0.94 0.63 0.00 0.09 0.00 0.00 178.44 181.05 3hq0 s ARG 8 N -2.08 0.92 0.18 1.13 3.03 -1.18 -4.76 118.95 116.19 3hq0 s ARG 8 Ca -0.16 -0.53 -0.33 0.00 2.03 0.00 0.00 55.73 56.75 3hq0 s ARG 8 Cb -0.00 0.30 -0.13 0.00 -1.03 0.00 0.00 34.95 34.09 3hq0 s ARG 8 CO 0.46 -0.42 1.69 -2.30 -1.13 0.00 0.00 175.30 173.59 3hq0 n PRO 9 N -0.54 2.55 -0.13 3.89 -0.02 -1.26 -1.29 135.00 138.19 3hq0 n PRO 9 Ca -0.06 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 3hq0 n PRO 9 Cb 0.61 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.82 -0.39 3.49 -1.23 0.00 0.25 -4.69 105.19 106.44 3hq0 n GLY 10 Ca 0.17 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.51 -0.39 -0.05 1.61 -3.43 -0.80 -4.07 115.29 105.64 3hq0 s HIS 11 Ca -0.36 0.30 -0.00 0.00 -0.80 0.00 0.00 55.06 54.19 3hq0 s HIS 11 Cb 0.11 0.53 0.03 0.00 -1.43 0.00 0.00 32.58 31.82 3hq0 s HIS 11 CO 0.55 -0.58 -0.00 0.00 -2.00 0.00 0.00 174.74 172.71 3hq0 s ALA 12 N -3.01 0.55 -0.27 -1.38 0.00 -0.15 -0.71 121.76 116.79 3hq0 s ALA 12 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3hq0 s ALA 12 Cb -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3hq0 s ALA 12 CO -0.08 -0.27 0.10 -1.14 0.00 0.00 0.00 175.76 174.37 3hq0 s GLN 13 N 1.52 3.63 0.12 0.00 0.74 -0.76 -0.96 119.66 123.95 3hq0 s GLN 13 Ca -0.02 -0.51 0.08 0.00 0.05 0.00 0.00 55.36 54.96 3hq0 s GLN 13 Cb -0.13 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 3hq0 s GLN 13 CO -0.03 -0.24 -0.12 0.08 -0.55 0.00 0.00 175.29 174.44 3hq0 s VAL 14 N 1.63 3.23 -0.14 1.34 1.01 0.11 -1.49 120.40 126.09 3hq0 s VAL 14 Ca 0.06 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 3hq0 s VAL 14 Cb -0.16 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3hq0 s VAL 14 CO 0.05 0.08 0.32 -0.13 0.00 0.00 0.00 175.10 175.43 3hq0 s ARG 15 N -2.27 4.22 0.16 2.72 0.52 0.87 -1.26 118.95 123.92 3hq0 s ARG 15 Ca 0.21 0.16 0.11 0.00 -0.52 0.00 0.00 55.73 55.69 3hq0 s ARG 15 Cb -0.11 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3hq0 s ARG 15 CO 0.13 0.27 -0.23 0.14 0.02 0.00 0.00 175.30 175.63 3hq0 s VAL 16 N 0.35 2.46 -0.01 3.52 -7.23 0.10 -3.41 120.40 116.18 3hq0 s VAL 16 Ca 0.18 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 3hq0 s VAL 16 Cb -0.13 -2.15 -0.23 0.00 0.56 0.00 0.00 36.38 34.43 3hq0 s VAL 16 CO 0.05 -0.03 1.10 -0.07 -0.31 0.00 0.00 175.10 175.85 3hq0 h LEU 17 N 3.45 0.45 -7.78 1.32 4.07 -1.86 -0.88 115.31 114.07 3hq0 h LEU 17 Ca -0.48 -0.74 -0.66 0.00 0.08 0.00 0.00 57.88 56.08 3hq0 h LEU 17 Cb 1.19 -0.14 -0.38 0.00 1.08 0.00 0.00 40.66 42.42 3hq0 h LEU 17 CO 0.45 1.13 -0.78 0.21 -1.08 0.00 0.00 178.44 178.38 3hq0 s ASN 18 N -6.60 4.43 0.27 -0.43 3.04 -1.26 -4.63 114.94 109.76 3hq0 s ASN 18 Ca -0.14 -1.55 -0.01 0.00 0.04 0.00 0.00 52.86 51.21 3hq0 s ASN 18 Cb 0.03 -1.50 0.49 0.00 -1.54 0.00 0.00 41.25 38.73 3hq0 s ASN 18 CO 0.80 -0.24 1.82 0.25 -3.04 0.00 0.00 177.10 176.69 3hq0 h LEU 19 N 7.77 0.82 -0.42 3.21 7.12 -1.94 -1.27 115.31 130.59 3hq0 h LEU 19 Ca -0.15 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.87 3hq0 h LEU 19 Cb 1.04 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.04 3hq0 h LEU 19 CO 0.47 0.45 0.12 -0.33 -0.13 0.00 0.00 178.44 179.01 3hq0 h GLU 20 N 0.91 0.67 0.00 1.25 4.39 -2.00 -1.46 114.58 118.34 3hq0 h GLU 20 Ca 0.46 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.90 3hq0 h GLU 20 Cb 0.44 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3hq0 h GLU 20 CO -0.26 0.67 -0.50 1.05 -1.16 0.00 0.00 179.01 178.81 3hq0 h GLU 21 N 0.54 0.00 -0.62 2.33 4.11 -1.93 -2.60 114.58 116.40 3hq0 h GLU 21 Ca 0.13 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.50 3hq0 h GLU 21 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hq0 h GLU 21 CO -0.00 0.50 0.12 0.78 0.07 0.00 0.00 179.01 180.47 3hq0 h GLY 22 N 2.04 1.09 0.88 1.06 0.00 -0.87 -0.39 103.07 106.88 3hq0 h GLY 22 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 3hq0 h GLY 22 CO 0.06 0.66 -0.11 -2.22 0.00 0.00 0.00 176.54 174.93 3hq0 h ILE 23 N 0.93 0.81 0.06 2.60 2.04 -1.06 -1.50 117.51 121.39 3hq0 h ILE 23 Ca 0.19 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3hq0 h ILE 23 Cb 0.40 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3hq0 h ILE 23 CO 0.01 0.06 -0.27 -0.74 0.00 0.00 0.00 178.15 177.21 3hq0 h HIS 24 N -0.44 -0.72 0.25 1.37 2.76 -1.36 0.87 115.15 117.88 3hq0 h HIS 24 Ca -0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hq0 h HIS 24 Cb 0.34 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 3hq0 h HIS 24 CO -0.02 -0.37 -0.24 0.35 -1.30 0.00 0.00 177.93 176.35 3hq0 h PHE 25 N -0.45 -0.64 0.00 5.26 3.04 -1.05 0.39 116.94 123.49 3hq0 h PHE 25 Ca 0.05 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 3hq0 h PHE 25 Cb 0.50 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 3hq0 h PHE 25 CO -0.27 -0.36 -0.32 1.88 -2.02 0.00 0.00 178.31 177.22 3hq0 h TYR 26 N -0.52 0.00 0.11 0.41 0.05 -1.20 0.43 116.97 116.24 3hq0 h TYR 26 Ca -0.01 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.47 3hq0 h TYR 26 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3hq0 h TYR 26 CO -0.16 0.32 -1.56 -0.09 -1.05 0.00 0.00 178.16 175.62 3hq0 h ARG 27 N 0.00 0.23 0.00 4.88 2.43 -0.64 0.10 114.38 121.38 3hq0 h ARG 27 Ca -0.00 -0.39 -0.30 0.00 -0.81 0.00 0.00 59.98 58.47 3hq0 h ARG 27 Cb 0.68 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 3hq0 h ARG 27 CO 0.04 1.19 -1.95 0.09 -1.51 0.00 0.00 179.97 177.83 3hq0 n ASN 28 N -3.85 0.51 -0.08 -3.80 5.03 0.13 -3.61 115.26 109.59 3hq0 n ASN 28 Ca -0.28 0.24 -0.06 0.00 0.87 0.00 0.00 54.58 55.35 3hq0 n ASN 28 Cb 0.92 0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 40.08 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 -2.90 1.44 0.09 2.41 0.31 0.14 -4.26 118.33 115.56 3hq0 n VAL 29 Ca -0.22 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 3hq0 n VAL 29 Cb 1.06 -2.37 0.16 0.00 -0.91 0.00 0.00 33.84 31.78 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 -1.00 0.24 -0.21 7.52 5.85 -1.40 -0.94 115.31 125.37 3hq0 h LEU 30 Ca -0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3hq0 h LEU 30 Cb 0.67 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hq0 h LEU 30 CO -0.01 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.44 3hq0 n GLY 31 N 0.12 1.07 3.85 3.75 0.00 -1.07 0.68 105.19 113.59 3hq0 n GLY 31 Ca -0.02 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.21 3.97 -0.36 0.99 1.02 0.32 -4.27 118.68 120.14 3hq0 s LEU 32 Ca 0.00 1.32 -0.19 0.00 0.02 0.00 0.00 54.13 55.28 3hq0 s LEU 32 Cb 0.00 -4.16 0.00 0.00 0.02 0.00 0.00 46.19 42.05 3hq0 s LEU 32 CO 0.00 -0.29 0.56 -0.69 0.02 0.00 0.00 176.35 175.95 3hq0 s VAL 33 N -2.13 4.96 0.17 -1.59 1.01 -0.03 -4.40 120.40 118.39 3hq0 s VAL 33 Ca 0.55 0.37 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 3hq0 s VAL 33 Cb -0.10 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3hq0 s VAL 33 CO 0.20 -0.29 1.40 -0.70 0.00 0.00 0.00 175.10 175.71 3hq0 s GLU 34 N 2.53 4.32 0.00 2.72 2.12 -1.26 -2.06 118.70 127.06 3hq0 s GLU 34 Ca 0.21 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.69 3hq0 s GLU 34 Cb -0.15 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3hq0 s GLU 34 CO 0.14 -0.40 0.68 0.25 -0.54 0.00 0.00 175.26 175.39 3hq0 n THR 35 N 3.26 0.44 0.00 -1.70 -2.24 0.40 -4.95 114.28 109.50 3hq0 n THR 35 Ca 0.09 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3hq0 n THR 35 Cb 0.42 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.22 2.40 2.97 3.38 0.00 -1.17 -4.93 105.19 107.62 3hq0 n GLY 36 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 0.13 0.00 1.61 0.52 -1.26 0.14 118.95 118.09 3hq0 s ARG 37 Ca 0.00 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 3hq0 s ARG 37 Cb 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.34 3hq0 s ARG 37 CO 0.00 -0.24 0.00 -0.40 0.02 0.00 0.00 175.30 174.68 3hq0 n ASP 38 N 4.89 0.00 0.18 0.23 5.68 -0.97 -4.98 116.55 121.58 3hq0 n ASP 38 Ca -0.14 -0.25 0.10 0.00 -0.50 0.00 0.00 54.79 54.00 3hq0 n ASP 38 Cb 0.51 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.59 3hq0 n ASP 38 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3hq0 h ASP 39 N 0.00 0.00 0.07 -1.12 3.04 -1.98 -3.29 116.42 113.15 3hq0 h ASP 39 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hq0 h ASP 39 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3hq0 h ASP 39 CO 0.00 0.08 -0.03 0.00 -2.04 0.00 0.00 179.24 177.26 3hq0 n GLN 40 N -3.01 1.18 -1.66 4.15 6.02 -1.26 -4.91 117.38 117.88 3hq0 n GLN 40 Ca 0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3hq0 n GLN 40 Cb 0.57 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 1.13 0.80 3.48 1.08 0.00 -1.24 -4.99 105.19 105.46 3hq0 n GLY 41 Ca 0.20 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.49 3.19 -0.13 1.61 0.52 -1.26 -4.45 118.95 114.93 3hq0 s ARG 42 Ca 0.00 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3hq0 s ARG 42 Cb 0.00 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3hq0 s ARG 42 CO 0.00 0.40 0.09 0.54 0.02 0.00 0.00 175.30 176.34 3hq0 s VAL 43 N -0.11 5.03 -0.19 3.52 0.11 -1.08 -2.28 120.40 125.40 3hq0 s VAL 43 Ca 0.00 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3hq0 s VAL 43 Cb -0.13 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3hq0 s VAL 43 CO 0.03 0.57 0.09 -0.31 -3.33 0.00 0.00 175.10 172.15 3hq0 s TYR 44 N -0.57 3.32 0.29 1.54 1.51 0.38 -2.56 117.35 121.26 3hq0 s TYR 44 Ca 0.11 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 3hq0 s TYR 44 Cb -0.12 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.56 3hq0 s TYR 44 CO 0.02 0.22 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.60 3hq0 s PHE 45 N 0.34 1.93 0.14 2.71 0.40 0.39 0.15 117.98 124.04 3hq0 s PHE 45 Ca 0.05 -0.79 -0.24 0.00 -0.60 0.00 0.00 56.93 55.36 3hq0 s PHE 45 Cb -0.12 -1.16 0.07 0.00 0.51 0.00 0.00 43.02 42.33 3hq0 s PHE 45 CO -0.01 0.18 0.61 -1.59 0.70 0.00 0.00 175.22 175.11 3hq0 s LYS 46 N -3.78 1.26 0.31 0.44 -2.85 -0.88 -0.72 119.74 113.52 3hq0 s LYS 46 Ca 0.31 -0.41 -0.27 0.00 -1.00 0.00 0.00 55.97 54.60 3hq0 s LYS 46 Cb 0.06 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 36.31 3hq0 s LYS 46 CO 0.13 -0.54 0.99 0.00 0.10 0.00 0.00 175.35 176.03 3hq0 h TRP 48 N 3.36 0.90 0.00 0.00 5.08 -1.83 -1.87 115.95 121.58 3hq0 h TRP 48 Ca -0.47 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3hq0 h TRP 48 Cb 1.20 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3hq0 h TRP 48 CO 0.60 0.25 -0.18 -3.47 -1.28 0.00 0.00 178.44 174.37 3hq0 n ASP 49 N -4.64 0.20 -4.77 0.11 2.03 -1.26 -4.35 116.55 103.87 3hq0 n ASP 49 Ca 0.21 0.25 -0.29 0.00 0.52 0.00 0.00 54.79 55.48 3hq0 n ASP 49 Cb 0.57 -0.25 0.14 0.00 -0.72 0.00 0.00 41.12 40.86 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 -3.01 1.05 -0.03 -0.67 2.02 -0.71 -4.73 118.70 112.63 3hq0 s GLU 50 Ca 0.13 0.30 0.05 0.00 0.02 0.00 0.00 54.97 55.47 3hq0 s GLU 50 Cb 0.18 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.50 3hq0 s GLU 50 CO 0.59 -2.26 0.08 0.54 0.02 0.00 0.00 175.26 174.23 3hq0 n ARG 51 N -3.81 1.49 -2.31 1.61 1.74 -1.26 -3.62 116.66 110.49 3hq0 n ARG 51 Ca 0.06 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 3hq0 n ARG 51 Cb 0.59 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 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 -3.11 6.37 0.34 0.55 1.01 -1.26 0.29 116.67 120.86 3hq0 s ASP 52 Ca -0.02 1.66 0.14 0.00 0.71 0.00 0.00 52.55 55.04 3hq0 s ASP 52 Cb 0.03 -2.52 1.05 0.00 1.01 0.00 0.00 42.92 42.49 3hq0 s ASP 52 CO 0.23 -0.76 1.68 -0.74 0.21 0.00 0.00 175.17 175.79 3hq0 h HIS 53 N 0.84 0.94 -2.68 4.23 -0.00 -0.64 -3.43 115.15 114.41 3hq0 h HIS 53 Ca -0.47 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 59.88 3hq0 h HIS 53 Cb 1.20 -0.25 -0.16 0.00 -0.00 0.00 0.00 27.41 28.19 3hq0 h HIS 53 CO 0.62 -0.13 0.07 -1.54 -0.00 0.00 0.00 177.93 176.96 3hq0 s SER 54 N -4.96 -0.48 0.00 3.26 1.04 -1.26 -4.57 113.70 106.72 3hq0 s SER 54 Ca -0.10 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3hq0 s SER 54 Cb 0.30 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3hq0 s SER 54 CO 0.79 -0.72 0.00 0.00 0.98 0.00 0.00 173.24 174.29 3hq0 s TYR 56 N -0.29 0.28 -0.05 0.00 5.04 -0.84 -0.98 117.35 120.50 3hq0 s TYR 56 Ca 0.00 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 3hq0 s TYR 56 Cb 0.00 -0.39 0.02 0.00 0.35 0.00 0.00 41.96 41.95 3hq0 s TYR 56 CO 0.00 -0.12 -0.02 0.42 -1.34 0.00 0.00 175.55 174.48 3hq0 s ILE 57 N 1.00 0.45 0.14 3.14 1.01 -0.14 -0.46 121.20 126.34 3hq0 s ILE 57 Ca -0.10 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.60 3hq0 s ILE 57 Cb -0.13 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3hq0 s ILE 57 CO -0.02 0.23 0.04 0.27 0.00 0.00 0.00 174.94 175.47 3hq0 s ILE 58 N 1.33 4.06 -0.09 2.92 -4.36 -1.06 0.05 121.20 124.05 3hq0 s ILE 58 Ca -0.05 -1.18 -0.05 0.00 -0.26 0.00 0.00 60.65 59.12 3hq0 s ILE 58 Cb -0.13 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.60 3hq0 s ILE 58 CO -0.02 -0.04 0.22 -0.60 0.24 0.00 0.00 174.94 174.74 3hq0 s ARG 59 N -2.80 0.18 -0.03 0.37 3.52 -0.39 -2.64 118.95 117.17 3hq0 s ARG 59 Ca 0.28 0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 3hq0 s ARG 59 Cb -0.10 -0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.11 3hq0 s ARG 59 CO 0.20 -0.16 1.46 -2.00 -0.81 0.00 0.00 175.30 173.99 3hq0 s GLU 60 N 1.19 4.25 0.25 5.12 2.12 -1.25 -0.72 118.70 129.65 3hq0 s GLU 60 Ca -0.09 2.01 -0.02 0.00 0.36 0.00 0.00 54.97 57.23 3hq0 s GLU 60 Cb -0.10 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3hq0 s GLU 60 CO -0.07 -0.66 0.26 0.00 -0.54 0.00 0.00 175.26 174.24 3hq0 s ALA 61 N 2.89 1.00 0.45 6.30 0.00 -0.34 -4.89 121.76 127.17 3hq0 s ALA 61 Ca 0.66 -1.60 0.17 0.00 0.00 0.00 0.00 51.96 51.18 3hq0 s ALA 61 Cb -0.31 1.32 1.11 0.00 0.00 0.00 0.00 23.12 25.24 3hq0 s ALA 61 CO 0.26 -0.67 2.02 -0.44 0.00 0.00 0.00 175.76 176.93 3hq0 h ASP 62 N 2.41 0.00 -4.81 0.00 3.45 -1.93 -3.39 116.42 112.14 3hq0 h ASP 62 Ca -0.31 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 56.93 3hq0 h ASP 62 Cb 1.25 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.83 3hq0 h ASP 62 CO 0.45 0.16 -0.71 0.42 -1.57 0.00 0.00 179.24 177.99 3hq0 s THR 63 N -4.59 0.48 0.83 0.35 -4.23 -1.26 -4.98 115.64 102.24 3hq0 s THR 63 Ca -0.04 -1.43 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 3hq0 s THR 63 Cb 0.15 -1.03 0.09 0.00 1.34 0.00 0.00 72.50 73.05 3hq0 s THR 63 CO 0.67 -0.65 1.17 0.00 -0.54 0.00 0.00 174.62 175.28 3hq0 s ALA 64 N -2.47 2.47 0.00 3.99 0.00 -1.26 -4.55 121.76 119.93 3hq0 s ALA 64 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3hq0 s ALA 64 Cb -0.03 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3hq0 s ALA 64 CO -0.03 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.34 3hq0 n GLY 65 N -3.08 0.79 3.44 0.00 0.00 -1.22 -4.88 105.19 100.24 3hq0 n GLY 65 Ca 0.08 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.09 3.24 -0.14 -0.61 2.07 -1.26 -0.09 121.20 123.31 3hq0 s ILE 66 Ca 0.00 -0.62 -0.24 0.00 -1.41 0.00 0.00 60.65 58.38 3hq0 s ILE 66 Cb 0.00 -2.34 -0.22 0.00 0.13 0.00 0.00 42.46 40.03 3hq0 s ILE 66 CO 0.00 0.54 0.62 0.44 -1.91 0.00 0.00 174.94 174.63 3hq0 h ASP 67 N 6.22 0.00 -4.95 4.50 3.32 -1.62 -3.48 116.42 120.41 3hq0 h ASP 67 Ca -0.34 -0.82 0.04 0.00 0.02 0.00 0.00 57.03 55.93 3hq0 h ASP 67 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 3hq0 h ASP 67 CO 0.55 0.97 0.29 0.72 -1.72 0.00 0.00 179.24 180.05 3hq0 s PHE 68 N -2.14 -0.40 -0.13 4.55 -0.12 -1.23 -4.33 117.98 114.18 3hq0 s PHE 68 Ca -0.17 0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 3hq0 s PHE 68 Cb -0.02 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.00 3hq0 s PHE 68 CO 0.59 -0.86 -0.02 0.12 -0.05 0.00 0.00 175.22 175.00 3hq0 s PHE 69 N -3.61 1.20 0.12 3.49 2.19 -0.91 -1.82 117.98 118.63 3hq0 s PHE 69 Ca 0.05 -0.69 0.05 0.00 0.33 0.00 0.00 56.93 56.67 3hq0 s PHE 69 Cb -0.02 -1.08 -0.04 0.00 -1.31 0.00 0.00 43.02 40.57 3hq0 s PHE 69 CO -0.07 -0.51 0.02 0.20 1.83 0.00 0.00 175.22 176.69 3hq0 s GLY 70 N 1.80 1.86 -0.03 13.12 0.00 0.11 -2.17 107.32 122.00 3hq0 s GLY 70 Ca 0.02 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.62 3hq0 s GLY 70 CO -0.07 -1.17 -0.19 -1.36 0.00 0.00 0.00 173.10 170.31 3hq0 s PHE 71 N -1.45 2.55 0.04 1.90 0.08 -0.21 0.84 117.98 121.73 3hq0 s PHE 71 Ca 0.27 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.82 3hq0 s PHE 71 Cb -0.11 -1.57 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3hq0 s PHE 71 CO 0.19 0.10 0.65 0.21 -0.10 0.00 0.00 175.22 176.27 3hq0 s LYS 72 N -0.71 4.36 0.35 0.44 2.20 -0.41 -1.92 119.74 124.05 3hq0 s LYS 72 Ca 0.11 0.86 0.08 0.00 -0.36 0.00 0.00 55.97 56.66 3hq0 s LYS 72 Cb -0.10 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3hq0 s LYS 72 CO 0.00 0.43 0.24 0.14 -0.36 0.00 0.00 175.35 175.80 3hq0 s VAL 73 N -0.47 3.15 0.09 4.02 -7.23 0.87 -1.19 120.40 119.64 3hq0 s VAL 73 Ca 0.33 -1.50 -0.35 0.00 -1.81 0.00 0.00 61.98 58.64 3hq0 s VAL 73 Cb -0.20 -3.07 -0.16 0.00 0.56 0.00 0.00 36.38 33.51 3hq0 s VAL 73 CO 0.20 -0.14 1.57 0.25 -0.31 0.00 0.00 175.10 176.66 3hq0 h LEU 74 N 1.34 -1.39 -8.40 1.32 5.85 -0.94 -3.42 115.31 109.67 3hq0 h LEU 74 Ca -0.44 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.24 3hq0 h LEU 74 Cb 1.25 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 42.66 3hq0 h LEU 74 CO 0.61 -0.62 -0.23 1.51 -0.34 0.00 0.00 178.44 179.36 3hq0 s ASP 75 N -4.47 0.29 0.15 1.25 1.47 -1.26 -5.01 116.67 109.08 3hq0 s ASP 75 Ca -0.17 -1.20 -0.17 0.00 1.18 0.00 0.00 52.55 52.18 3hq0 s ASP 75 Cb 0.05 0.57 0.07 0.00 -0.34 0.00 0.00 42.92 43.27 3hq0 s ASP 75 CO 0.61 -1.14 1.70 0.11 0.68 0.00 0.00 175.17 177.13 3hq0 h LYS 76 N 2.27 0.07 -0.82 2.11 1.57 -1.91 0.28 116.57 120.15 3hq0 h LYS 76 Ca -0.29 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3hq0 h LYS 76 Cb 1.25 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 3hq0 h LYS 76 CO 0.40 0.05 0.54 0.00 -0.57 0.00 0.00 179.45 179.86 3hq0 h ALA 77 N 1.31 2.04 -0.17 3.86 0.00 -1.99 0.25 119.26 124.56 3hq0 h ALA 77 Ca 0.17 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3hq0 h ALA 77 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hq0 h ALA 77 CO -0.29 -0.27 -0.49 1.15 0.00 0.00 0.00 179.25 179.35 3hq0 h THR 78 N 0.50 1.33 -0.22 0.00 2.02 -1.30 -1.25 112.91 113.99 3hq0 h THR 78 Ca 0.41 -1.74 0.01 0.00 0.77 0.00 0.00 66.41 65.86 3hq0 h THR 78 Cb 0.85 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3hq0 h THR 78 CO -0.15 0.54 0.13 0.25 0.37 0.00 0.00 175.52 176.66 3hq0 h LEU 79 N 0.29 0.22 -0.90 2.58 5.85 0.22 0.10 115.31 123.69 3hq0 h LEU 79 Ca -0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3hq0 h LEU 79 Cb 1.10 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3hq0 h LEU 79 CO 0.10 0.16 0.31 -0.33 -0.34 0.00 0.00 178.44 178.35 3hq0 h GLU 80 N 0.28 1.12 -0.06 1.25 4.39 -0.67 -2.08 114.58 118.81 3hq0 h GLU 80 Ca 0.08 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3hq0 h GLU 80 Cb -0.02 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3hq0 h GLU 80 CO -0.03 0.90 0.02 -0.22 -1.16 0.00 0.00 179.01 178.52 3hq0 h LYS 81 N 1.09 0.09 -0.52 2.33 3.11 -0.67 -2.28 116.57 119.72 3hq0 h LYS 81 Ca 0.25 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.08 3hq0 h LYS 81 Cb 0.19 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 3hq0 h LYS 81 CO -0.02 0.24 0.32 -0.07 -2.81 0.00 0.00 179.45 177.11 3hq0 h LEU 82 N -0.08 0.61 -1.29 5.20 3.38 -0.69 -1.89 115.31 120.56 3hq0 h LEU 82 Ca 0.02 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3hq0 h LEU 82 Cb 0.18 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3hq0 h LEU 82 CO -0.00 0.47 0.54 -0.78 0.09 0.00 0.00 178.44 178.76 3hq0 h ASP 83 N 0.69 0.71 -0.21 -0.43 -0.00 -1.31 -0.05 116.42 115.83 3hq0 h ASP 83 Ca 0.19 0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.18 3hq0 h ASP 83 Cb -0.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.16 3hq0 h ASP 83 CO -0.04 0.42 -0.07 0.00 -0.00 0.00 0.00 179.24 179.56 3hq0 h ALA 84 N 1.58 0.29 -0.20 -0.78 0.00 -0.77 -2.57 119.26 116.81 3hq0 h ALA 84 Ca 0.38 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hq0 h ALA 84 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hq0 h ALA 84 CO -0.15 0.10 -0.20 -0.44 0.00 0.00 0.00 179.25 178.55 3hq0 h ASP 85 N 0.13 0.34 -0.42 0.00 3.32 -0.60 0.06 116.42 119.25 3hq0 h ASP 85 Ca 0.05 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3hq0 h ASP 85 Cb 0.54 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3hq0 h ASP 85 CO 0.02 0.56 0.08 -0.07 -1.72 0.00 0.00 179.24 178.11 3hq0 h LEU 86 N 0.32 0.65 -0.09 1.55 3.38 -0.95 0.41 115.31 120.57 3hq0 h LEU 86 Ca 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3hq0 h LEU 86 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hq0 h LEU 86 CO 0.04 0.73 -0.04 1.56 0.09 0.00 0.00 178.44 180.82 3hq0 h GLN 87 N 0.54 0.19 -0.08 1.13 4.20 -1.19 -0.88 115.11 119.02 3hq0 h GLN 87 Ca 0.13 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3hq0 h GLN 87 Cb 0.35 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hq0 h GLN 87 CO 0.01 0.54 0.09 0.00 -0.67 0.00 0.00 178.83 178.80 3hq0 h ALA 88 N 0.64 1.61 0.00 3.87 0.00 -0.91 0.20 119.26 124.68 3hq0 h ALA 88 Ca 0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3hq0 h ALA 88 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hq0 h ALA 88 CO 0.01 -0.13 -0.67 -0.92 0.00 0.00 0.00 179.25 177.54 3hq0 h TYR 89 N 0.00 0.00 0.00 0.00 3.20 -0.47 -3.47 116.97 116.23 3hq0 h TYR 89 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hq0 h TYR 89 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3hq0 h TYR 89 CO 0.00 0.67 0.00 0.41 -1.64 0.00 0.00 178.16 177.60 3hq0 n GLY 90 N 0.69 0.94 3.73 1.82 0.00 0.71 -5.09 105.19 107.99 3hq0 n GLY 90 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.43 0.12 0.99 1.43 -0.37 -4.97 118.68 120.30 3hq0 s LEU 91 Ca 0.00 1.51 -0.26 0.00 -1.03 0.00 0.00 54.13 54.35 3hq0 s LEU 91 Cb 0.00 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 3hq0 s LEU 91 CO 0.00 -0.05 0.82 0.42 0.23 0.00 0.00 176.35 177.77 3hq0 s THR 92 N 0.19 4.49 0.11 5.49 -4.23 -1.26 -3.40 115.64 117.03 3hq0 s THR 92 Ca 0.42 1.78 0.10 0.00 -1.18 0.00 0.00 61.69 62.81 3hq0 s THR 92 Cb -0.21 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 3hq0 s THR 92 CO 0.24 0.43 -0.23 0.42 -0.54 0.00 0.00 174.62 174.93 3hq0 s THR 93 N -0.55 2.47 -0.02 3.99 -4.23 -1.26 -4.56 115.64 111.48 3hq0 s THR 93 Ca 0.39 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3hq0 s THR 93 Cb -0.22 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3hq0 s THR 93 CO 0.26 0.13 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.44 3hq0 s THR 94 N -1.06 3.08 -0.41 3.99 2.01 0.82 -4.97 115.64 119.10 3hq0 s THR 94 Ca 0.15 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 3hq0 s THR 94 Cb -0.10 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.24 3hq0 s THR 94 CO 0.07 0.51 0.24 -0.60 -0.69 0.00 0.00 174.62 174.15 3hq0 s ARG 95 N -0.97 2.57 -0.19 4.92 6.06 -1.26 -0.87 118.95 129.21 3hq0 s ARG 95 Ca 0.13 -1.45 -0.23 0.00 -2.50 0.00 0.00 55.73 51.68 3hq0 s ARG 95 Cb -0.11 -3.73 -0.02 0.00 0.06 0.00 0.00 34.95 31.15 3hq0 s ARG 95 CO 0.02 -0.93 0.73 0.42 -2.50 0.00 0.00 175.30 173.05 3hq0 s ILE 96 N 1.41 4.95 0.79 4.11 1.09 -0.46 -4.96 121.20 128.13 3hq0 s ILE 96 Ca 0.03 1.41 -0.12 0.00 -1.10 0.00 0.00 60.65 60.86 3hq0 s ILE 96 Cb -0.23 -4.04 0.08 0.00 -1.06 0.00 0.00 42.46 37.21 3hq0 s ILE 96 CO 0.02 0.06 1.16 -2.16 -0.10 0.00 0.00 174.94 173.92 3hq0 s PRO 97 N 2.07 1.83 0.42 2.79 0.04 -1.26 -1.16 135.00 139.73 3hq0 s PRO 97 Ca 0.33 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 3hq0 s PRO 97 Cb -0.16 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3hq0 s PRO 97 CO 0.11 -2.02 1.34 0.00 0.04 0.00 0.00 177.00 176.46 3hq0 s ALA 98 N -2.41 3.24 0.00 8.56 0.00 -1.26 -2.72 121.76 127.17 3hq0 s ALA 98 Ca 0.69 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3hq0 s ALA 98 Cb -0.24 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3hq0 s ALA 98 CO 0.51 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3hq0 n GLY 99 N 0.64 3.22 0.42 0.00 0.00 0.14 -4.85 105.19 104.77 3hq0 n GLY 99 Ca 0.04 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 1.88 0.32 -6.11 1.61 4.22 -1.76 -3.35 114.58 111.40 3hq0 h GLU 100 Ca 0.00 -0.02 -0.68 0.00 0.08 0.00 0.00 59.36 58.74 3hq0 h GLU 100 Cb 0.00 -0.07 -0.23 0.00 0.50 0.00 0.00 28.75 28.94 3hq0 h GLU 100 CO 0.00 0.21 -0.76 -1.64 -2.18 0.00 0.00 179.01 174.64 3hq0 s MET 101 N -5.39 2.70 0.27 1.92 -1.94 -1.26 -5.08 119.30 110.52 3hq0 s MET 101 Ca -0.08 -0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 52.93 3hq0 s MET 101 Cb 0.24 -2.45 -0.14 0.00 2.01 0.00 0.00 34.83 34.49 3hq0 s MET 101 CO 0.79 0.55 1.22 -0.11 -0.01 0.00 0.00 175.02 177.47 3hq0 n LEU 102 N 2.53 2.57 -1.77 -0.03 0.00 -1.26 -1.88 117.00 117.16 3hq0 n LEU 102 Ca -0.17 1.17 -0.09 0.00 0.00 0.00 0.00 56.01 56.91 3hq0 n LEU 102 Cb 0.52 -1.37 -0.02 0.00 0.00 0.00 0.00 43.42 42.55 3hq0 n LEU 102 CO 0.27 -0.88 -0.10 -0.62 0.00 0.00 0.00 177.39 176.05 3hq0 n GLU 103 N 1.26 -1.73 -4.67 1.96 -0.58 -1.26 -4.93 120.64 110.69 3hq0 n GLU 103 Ca 0.10 0.49 -0.28 0.00 -0.42 0.00 0.00 57.16 57.05 3hq0 n GLU 103 Cb 0.32 -4.83 -0.14 0.00 -0.57 0.00 0.00 31.44 26.21 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 -2.06 1.99 0.23 2.62 2.01 -0.79 -1.17 115.64 118.47 3hq0 s THR 104 Ca 0.00 -1.42 -0.03 0.00 0.31 0.00 0.00 61.69 60.55 3hq0 s THR 104 Cb 0.00 -1.73 0.05 0.00 0.01 0.00 0.00 72.50 70.83 3hq0 s THR 104 CO 0.00 0.23 0.31 0.61 -0.69 0.00 0.00 174.62 175.08 3hq0 n GLY 105 N 1.56 -0.50 3.76 4.40 0.00 0.05 -0.68 105.19 113.79 3hq0 n GLY 105 Ca -0.17 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.50 3.54 0.17 1.61 -1.05 -1.26 -4.46 118.70 113.75 3hq0 s GLU 106 Ca 0.19 1.88 0.09 0.00 -0.15 0.00 0.00 54.97 56.98 3hq0 s GLU 106 Cb -0.01 -2.32 -0.04 0.00 -0.44 0.00 0.00 34.13 31.32 3hq0 s GLU 106 CO 0.13 -0.76 -0.19 1.03 0.95 0.00 0.00 175.26 176.42 3hq0 s ARG 107 N -2.82 1.32 -0.38 -4.83 0.52 -0.30 -4.33 118.95 108.13 3hq0 s ARG 107 Ca 0.67 -1.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.36 3hq0 s ARG 107 Cb -0.31 -1.41 0.06 0.00 0.52 0.00 0.00 34.95 33.81 3hq0 s ARG 107 CO 0.37 0.29 0.19 0.08 0.02 0.00 0.00 175.30 176.25 3hq0 s VAL 108 N -2.05 4.03 -0.07 3.52 1.01 0.18 -1.35 120.40 125.67 3hq0 s VAL 108 Ca 0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 3hq0 s VAL 108 Cb -0.06 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3hq0 s VAL 108 CO 0.07 -0.36 0.08 -0.60 0.00 0.00 0.00 175.10 174.29 3hq0 s ARG 109 N 1.41 3.17 -0.00 2.72 3.52 -0.05 -1.14 118.95 128.58 3hq0 s ARG 109 Ca 0.01 -0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 55.09 3hq0 s ARG 109 Cb -0.21 -2.95 0.04 0.00 -1.56 0.00 0.00 34.95 30.26 3hq0 s ARG 109 CO 0.02 0.71 0.41 -0.59 -0.81 0.00 0.00 175.30 175.05 3hq0 s PHE 110 N -1.04 -0.29 -0.01 5.12 -0.12 0.24 -0.13 117.98 121.75 3hq0 s PHE 110 Ca 0.17 0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 57.37 3hq0 s PHE 110 Cb -0.12 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 3hq0 s PHE 110 CO 0.07 -0.49 0.28 -2.00 -0.05 0.00 0.00 175.22 173.03 3hq0 s GLU 111 N -1.68 3.63 0.43 1.99 2.12 -1.26 -0.29 118.70 123.63 3hq0 s GLU 111 Ca -0.10 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.26 3hq0 s GLU 111 Cb -0.03 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 3hq0 s GLU 111 CO 0.03 0.67 0.64 -0.51 -0.54 0.00 0.00 175.26 175.56 3hq0 s LEU 112 N -1.50 3.73 0.53 2.70 1.43 0.35 -4.96 118.68 120.96 3hq0 s LEU 112 Ca 0.25 0.32 0.19 0.00 -1.03 0.00 0.00 54.13 53.86 3hq0 s LEU 112 Cb -0.14 -3.20 1.37 0.00 0.03 0.00 0.00 46.19 44.25 3hq0 s LEU 112 CO 0.13 -0.61 2.14 -0.65 0.23 0.00 0.00 176.35 177.60 3hq0 h PRO 113 N 0.48 0.00 0.00 1.29 0.11 -1.89 0.17 132.00 132.17 3hq0 h PRO 113 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hq0 h PRO 113 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hq0 h PRO 113 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 3hq0 n SER 114 N -4.41 0.00 0.00 -2.05 3.41 -1.14 -4.61 113.62 104.83 3hq0 n SER 114 Ca -0.01 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3hq0 n SER 114 Cb 0.16 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.76 1.27 3.80 5.00 0.00 0.61 -0.98 105.19 115.65 3hq0 n GLY 115 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.57 3.69 -0.17 1.61 3.76 -1.26 -4.23 115.29 116.13 3hq0 s HIS 116 Ca 0.00 1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 56.23 3hq0 s HIS 116 Cb 0.00 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 30.95 3hq0 s HIS 116 CO 0.00 0.33 0.52 -0.51 -0.85 0.00 0.00 174.74 174.24 3hq0 s LEU 117 N -1.88 4.20 -0.04 0.89 1.43 -1.26 -0.50 118.68 121.52 3hq0 s LEU 117 Ca 0.44 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.34 3hq0 s LEU 117 Cb -0.18 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 3hq0 s LEU 117 CO 0.22 -0.13 -0.18 -0.63 0.23 0.00 0.00 176.35 175.86 3hq0 s ILE 118 N 1.30 2.74 0.24 -0.59 -1.09 0.60 -2.14 121.20 122.25 3hq0 s ILE 118 Ca 0.26 -0.87 0.10 0.00 -2.23 0.00 0.00 60.65 57.92 3hq0 s ILE 118 Cb -0.15 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 3hq0 s ILE 118 CO 0.10 0.58 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.59 3hq0 s GLU 119 N -0.73 1.52 -0.03 2.79 2.02 -0.92 -0.59 118.70 122.76 3hq0 s GLU 119 Ca 0.11 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 53.46 3hq0 s GLU 119 Cb -0.10 -1.56 0.02 0.00 0.10 0.00 0.00 34.13 32.58 3hq0 s GLU 119 CO 0.00 0.29 -0.02 -0.51 0.02 0.00 0.00 175.26 175.05 3hq0 s LEU 120 N -3.26 1.43 0.05 1.80 1.02 -0.29 -1.05 118.68 118.39 3hq0 s LEU 120 Ca 0.25 -0.06 -0.07 0.00 0.02 0.00 0.00 54.13 54.27 3hq0 s LEU 120 Cb -0.04 -0.26 -0.01 0.00 0.02 0.00 0.00 46.19 45.90 3hq0 s LEU 120 CO 0.11 -0.05 0.14 -0.72 0.02 0.00 0.00 176.35 175.85 3hq0 s TYR 121 N 0.69 0.18 -0.02 0.29 1.13 -0.81 0.49 117.35 119.30 3hq0 s TYR 121 Ca -0.07 -0.52 0.11 0.00 -1.41 0.00 0.00 57.07 55.18 3hq0 s TYR 121 Cb -0.11 -0.11 -0.17 0.00 -1.10 0.00 0.00 41.96 40.47 3hq0 s TYR 121 CO -0.01 -0.44 0.23 0.00 -2.51 0.00 0.00 175.55 172.82 3hq0 n ALA 122 N 0.43 2.38 -3.05 9.51 0.00 -1.26 -0.09 120.51 128.42 3hq0 n ALA 122 Ca -0.17 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 3hq0 n ALA 122 Cb 0.60 -0.36 -0.16 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.74 1.80 -0.18 0.00 2.02 -1.26 -4.82 118.70 113.51 3hq0 s GLU 123 Ca -0.04 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 3hq0 s GLU 123 Cb 0.07 -1.53 0.08 0.00 0.10 0.00 0.00 34.13 32.84 3hq0 s GLU 123 CO 0.46 0.19 0.40 0.21 0.02 0.00 0.00 175.26 176.53 3hq0 s LYS 124 N 0.20 0.33 0.35 1.61 2.47 -1.26 -0.77 119.74 122.67 3hq0 s LYS 124 Ca -0.07 0.91 -0.27 0.00 -1.56 0.00 0.00 55.97 54.97 3hq0 s LYS 124 Cb -0.13 0.15 -0.12 0.00 -1.46 0.00 0.00 37.83 36.27 3hq0 s LYS 124 CO 0.03 -0.22 1.18 2.41 0.16 0.00 0.00 175.35 178.91 3hq0 n THR 125 N 4.92 2.11 -3.44 3.43 -1.04 -0.31 -4.71 114.28 115.23 3hq0 n THR 125 Ca -0.15 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 60.97 3hq0 n THR 125 Cb 0.52 -1.36 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 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 5.17 0.00 0.00 0.00 0.31 0.15 -4.91 118.33 119.04 3hq0 n VAL 127 Ca -0.10 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3hq0 n VAL 127 Cb 0.50 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 34.30 3hq0 n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hq0 n GLY 128 N 1.39 -0.72 1.86 2.92 0.00 0.08 -4.61 105.19 106.11 3hq0 n GLY 128 Ca 0.02 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.21 5.31 0.00 1.61 2.04 -1.24 -4.50 115.26 117.27 3hq0 n ASN 129 Ca 0.00 -2.95 0.00 0.00 -0.44 0.00 0.00 54.58 51.19 3hq0 n ASN 129 Cb 0.00 -0.69 0.00 0.00 -2.53 0.00 0.00 39.78 36.56 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 0.42 0.60 3.58 4.83 0.00 -1.26 -4.69 105.19 108.67 3hq0 n GLY 130 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.76 3.31 0.68 -0.61 1.01 -1.26 -5.07 121.20 116.50 3hq0 s ILE 131 Ca 0.00 -1.42 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 3hq0 s ILE 131 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3hq0 s ILE 131 CO 0.00 0.02 1.19 -0.24 0.00 0.00 0.00 174.94 175.91 3hq0 n SER 132 N 0.43 1.49 0.05 3.58 2.88 -1.26 -4.92 113.62 115.86 3hq0 n SER 132 Ca -0.12 0.76 0.12 0.00 -1.33 0.00 0.00 58.87 58.30 3hq0 n SER 132 Cb 0.54 -1.51 0.25 0.00 -0.75 0.00 0.00 64.21 62.74 3hq0 n SER 132 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hq0 n GLU 133 N -2.04 0.19 -4.88 -1.46 1.02 -1.26 -4.17 120.64 108.04 3hq0 n GLU 133 Ca 0.15 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 3hq0 n GLU 133 Cb 0.49 -1.64 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 3hq0 n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hq0 s VAL 134 N -3.11 2.38 -1.14 2.62 0.11 -1.26 -4.74 120.40 115.27 3hq0 s VAL 134 Ca 0.08 -0.89 -0.25 0.00 -2.93 0.00 0.00 61.98 58.00 3hq0 s VAL 134 Cb 0.15 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 3hq0 s VAL 134 CO 0.69 0.54 0.75 0.59 -3.33 0.00 0.00 175.10 174.34 3hq0 n ASN 135 N 3.74 -4.97 -4.77 3.54 3.02 -1.26 -4.89 115.26 109.67 3hq0 n ASN 135 Ca -0.19 -1.10 -0.37 0.00 -0.03 0.00 0.00 54.58 52.89 3hq0 n ASN 135 Cb 0.52 -2.75 -0.01 0.00 -0.61 0.00 0.00 39.78 36.93 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 -6.38 3.76 0.83 3.52 0.04 -1.26 -4.93 135.00 130.58 3hq0 s PRO 136 Ca 0.46 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3hq0 s PRO 136 Cb -0.20 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 31.99 3hq0 s PRO 136 CO 0.90 -0.56 1.11 0.00 0.04 0.00 0.00 177.00 178.49 3hq0 s ALA 137 N -1.51 2.15 0.23 8.56 0.00 -1.26 -4.95 121.76 124.98 3hq0 s ALA 137 Ca 0.63 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 3hq0 s ALA 137 Cb -0.30 -3.08 0.24 0.00 0.00 0.00 0.00 23.12 19.97 3hq0 s ALA 137 CO 0.36 -1.86 1.72 -1.00 0.00 0.00 0.00 175.76 174.99 3hq0 h PRO 138 N -1.19 0.92 -2.56 0.00 0.13 -2.03 -3.47 132.00 123.81 3hq0 h PRO 138 Ca -0.48 -0.25 0.14 0.00 -0.87 0.00 0.00 66.00 64.54 3hq0 h PRO 138 Cb 1.29 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3hq0 h PRO 138 CO 0.60 0.89 0.53 1.67 -0.23 0.00 0.00 178.00 181.47 3hq0 s TRP 139 N -5.04 0.04 0.00 1.56 1.48 -1.26 -5.18 118.94 110.55 3hq0 s TRP 139 Ca -0.10 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.47 3hq0 s TRP 139 Cb 0.14 0.71 0.00 0.00 -1.16 0.00 0.00 33.47 33.16 3hq0 s TRP 139 CO 0.83 -0.98 0.00 0.27 -4.06 0.00 0.00 176.95 173.00 3hq0 n ASN 140 N -1.12 0.25 0.12 -2.66 0.23 -1.26 -5.03 115.26 105.78 3hq0 n ASN 140 Ca -0.04 -0.76 0.09 0.00 -0.53 0.00 0.00 54.58 53.34 3hq0 n ASN 140 Cb 0.60 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.88 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 1.00 2.00 -0.95 -2.53 0.00 -2.00 -2.31 119.26 114.47 3hq0 h ALA 141 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hq0 h ALA 141 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3hq0 h ALA 141 CO 0.00 -0.04 0.61 1.96 0.00 0.00 0.00 179.25 181.78 3hq0 h GLN 142 N 0.18 0.98 0.00 0.00 4.20 -1.96 -1.69 115.11 116.83 3hq0 h GLN 142 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hq0 h GLN 142 Cb 0.19 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3hq0 h GLN 142 CO -0.02 0.65 0.14 -0.09 -0.67 0.00 0.00 178.83 178.85 3hq0 h ARG 143 N 1.01 0.00 -0.02 1.46 2.43 -1.77 -1.39 114.38 116.10 3hq0 h ARG 143 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3hq0 h ARG 143 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hq0 h ARG 143 CO -0.19 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.66 3hq0 n GLU 144 N -2.73 2.23 -3.01 0.20 1.02 -0.65 -4.73 120.64 112.98 3hq0 n GLU 144 Ca -0.02 -2.05 -0.44 0.00 -0.02 0.00 0.00 57.16 54.63 3hq0 n GLU 144 Cb 0.19 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.90 2.91 0.00 -0.32 2.46 -0.52 -4.89 115.29 113.02 3hq0 s HIS 145 Ca 0.17 -0.88 0.00 0.00 0.47 0.00 0.00 55.06 54.82 3hq0 s HIS 145 Cb 0.14 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 3hq0 s HIS 145 CO 0.02 -1.43 0.00 0.41 -2.47 0.00 0.00 174.74 171.27 3hq0 n GLY 146 N 5.28 -1.37 0.19 1.59 0.00 -1.26 -3.83 105.19 105.80 3hq0 n GLY 146 Ca -0.04 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 0.89 -5.21 -0.61 2.04 -0.90 -3.45 117.51 110.27 3hq0 h ILE 147 Ca 0.00 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 3hq0 h ILE 147 Cb 0.00 0.49 0.12 0.00 -0.74 0.00 0.00 36.82 36.69 3hq0 h ILE 147 CO 0.00 0.07 -0.52 0.00 0.00 0.00 0.00 178.15 177.69 3hq0 n ALA 148 N -2.36 -2.35 -1.09 1.87 0.00 0.21 -4.90 120.51 111.90 3hq0 n ALA 148 Ca 0.03 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 3hq0 n ALA 148 Cb 0.16 -4.02 0.13 0.00 0.00 0.00 0.00 19.45 15.71 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 -3.84 1.61 0.01 0.00 0.04 -1.26 -4.93 135.00 126.63 3hq0 s PRO 149 Ca 0.28 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.55 3hq0 s PRO 149 Cb -0.04 -1.82 -0.24 0.00 0.04 0.00 0.00 34.50 32.45 3hq0 s PRO 149 CO 0.68 -2.09 0.88 0.82 0.04 0.00 0.00 177.00 177.33 3hq0 h ILE 150 N -1.46 1.17 -2.62 0.56 5.03 -0.31 -3.37 117.51 116.51 3hq0 h ILE 150 Ca -0.46 -2.93 0.05 0.00 -0.12 0.00 0.00 64.86 61.41 3hq0 h ILE 150 Cb 1.26 2.63 -0.13 0.00 -3.03 0.00 0.00 36.82 37.54 3hq0 h ILE 150 CO 0.50 0.72 0.36 0.00 -0.68 0.00 0.00 178.15 179.05 3hq0 s GLN 151 N -2.63 1.06 -0.42 2.37 -2.07 -1.25 -3.74 119.66 112.97 3hq0 s GLN 151 Ca -0.05 -0.41 -0.29 0.00 -1.82 0.00 0.00 55.36 52.80 3hq0 s GLN 151 Cb 0.08 0.48 0.02 0.00 -1.09 0.00 0.00 33.01 32.50 3hq0 s GLN 151 CO 0.83 -0.47 1.19 -1.17 -1.32 0.00 0.00 175.29 174.35 3hq0 s LEU 152 N -2.63 3.71 -0.09 2.60 2.96 -1.26 -1.58 118.68 122.39 3hq0 s LEU 152 Ca 0.04 0.72 -0.22 0.00 -0.22 0.00 0.00 54.13 54.44 3hq0 s LEU 152 Cb -0.01 -3.55 -0.29 0.00 0.50 0.00 0.00 46.19 42.84 3hq0 s LEU 152 CO -0.10 -1.20 0.76 -0.78 -1.32 0.00 0.00 176.35 173.72 3hq0 h ASP 153 N 9.28 0.33 -0.08 3.68 3.58 -1.03 -3.44 116.42 128.74 3hq0 h ASP 153 Ca -0.24 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.30 3hq0 h ASP 153 Cb 1.07 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.01 3hq0 h ASP 153 CO 1.09 1.37 0.00 0.00 -2.88 0.00 0.00 179.24 178.82 3hq0 n HIS 154 N -4.20 -0.08 -3.58 0.28 1.44 -1.20 -4.56 115.22 103.31 3hq0 n HIS 154 Ca -0.16 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.41 3hq0 n HIS 154 Cb 0.76 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.82 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 -1.95 2.35 0.01 0.00 0.20 0.20 -1.60 118.68 117.89 3hq0 s LEU 156 Ca -0.06 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.28 3hq0 s LEU 156 Cb -0.01 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 3hq0 s LEU 156 CO -0.01 0.09 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.36 3hq0 s LEU 157 N 0.77 3.41 -0.22 -0.68 2.01 -0.08 -1.57 118.68 122.32 3hq0 s LEU 157 Ca -0.07 -0.07 -0.05 0.00 0.01 0.00 0.00 54.13 53.96 3hq0 s LEU 157 Cb -0.16 -1.97 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 3hq0 s LEU 157 CO 0.00 0.27 -0.01 -0.31 1.01 0.00 0.00 176.35 177.31 3hq0 s TYR 158 N -1.08 3.00 0.01 0.29 1.51 -0.06 -1.14 117.35 119.86 3hq0 s TYR 158 Ca 0.19 -0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 55.26 3hq0 s TYR 158 Cb -0.11 -2.11 0.11 0.00 -0.11 0.00 0.00 41.96 39.73 3hq0 s TYR 158 CO 0.10 -0.42 1.15 0.20 -1.11 0.00 0.00 175.55 175.47 3hq0 s GLY 159 N 1.33 -0.35 0.56 0.71 0.00 -1.13 -1.36 107.32 107.09 3hq0 s GLY 159 Ca 0.04 0.71 -0.08 0.00 0.00 0.00 0.00 44.72 45.38 3hq0 s GLY 159 CO -0.00 0.17 0.93 2.56 0.00 0.00 0.00 173.10 176.75 3hq0 s PRO 160 N -2.73 3.52 -0.91 2.90 0.04 -0.06 -1.48 135.00 136.27 3hq0 s PRO 160 Ca 0.12 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 3hq0 s PRO 160 Cb 0.02 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3hq0 s PRO 160 CO -0.03 -0.44 0.78 0.09 0.04 0.00 0.00 177.00 177.44 3hq0 n ASN 161 N -2.55 -4.13 -0.02 6.66 3.02 -1.26 -2.88 115.26 114.10 3hq0 n ASN 161 Ca 0.04 -0.55 -0.01 0.00 -0.03 0.00 0.00 54.58 54.03 3hq0 n ASN 161 Cb 0.55 -4.32 0.27 0.00 -0.61 0.00 0.00 39.78 35.67 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 -1.18 1.21 -0.31 2.41 1.08 -1.92 -2.03 117.51 116.76 3hq0 h ILE 162 Ca -0.49 -0.83 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 3hq0 h ILE 162 Cb 1.26 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3hq0 h ILE 162 CO 0.38 0.29 0.07 0.00 -0.69 0.00 0.00 178.15 178.19 3hq0 h ALA 163 N 1.46 0.33 -0.43 1.87 0.00 -1.92 0.30 119.26 120.87 3hq0 h ALA 163 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hq0 h ALA 163 Cb 0.36 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hq0 h ALA 163 CO 0.01 -0.34 -0.10 0.93 0.00 0.00 0.00 179.25 179.75 3hq0 h GLU 164 N 0.18 0.77 -0.58 0.00 5.08 -1.87 -2.53 114.58 115.63 3hq0 h GLU 164 Ca 0.15 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3hq0 h GLU 164 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3hq0 h GLU 164 CO -0.19 0.85 0.26 0.28 -1.00 0.00 0.00 179.01 179.21 3hq0 h VAL 165 N 0.70 1.22 0.14 3.13 2.07 -0.57 -2.67 116.25 120.26 3hq0 h VAL 165 Ca 0.12 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3hq0 h VAL 165 Cb 0.58 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3hq0 h VAL 165 CO 0.04 0.25 -0.22 -0.61 0.02 0.00 0.00 177.57 177.06 3hq0 h GLN 166 N 0.80 -0.40 -1.00 1.57 4.15 -0.16 -2.14 115.11 117.92 3hq0 h GLN 166 Ca 0.20 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.85 3hq0 h GLN 166 Cb 0.16 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 27.83 3hq0 h GLN 166 CO -0.02 -0.27 0.61 0.87 -1.93 0.00 0.00 178.83 178.09 3hq0 h LYS 167 N -0.42 0.70 0.30 1.69 1.57 -1.29 0.18 116.57 119.29 3hq0 h LYS 167 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hq0 h LYS 167 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hq0 h LYS 167 CO -0.10 0.46 -0.14 0.82 -0.57 0.00 0.00 179.45 179.92 3hq0 h ILE 168 N 0.72 0.74 -0.91 1.86 2.04 -1.10 0.23 117.51 121.08 3hq0 h ILE 168 Ca 0.59 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3hq0 h ILE 168 Cb 0.97 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3hq0 h ILE 168 CO -0.39 0.10 0.60 -0.26 0.00 0.00 0.00 178.15 178.20 3hq0 h PHE 169 N -0.66 1.14 0.19 1.37 -1.00 -0.64 0.19 116.94 117.53 3hq0 h PHE 169 Ca -0.04 0.03 -0.34 0.00 2.81 0.00 0.00 57.97 60.42 3hq0 h PHE 169 Cb 0.46 -0.39 0.01 0.00 3.61 0.00 0.00 35.95 39.65 3hq0 h PHE 169 CO 0.01 0.71 -1.68 1.79 -1.61 0.00 0.00 178.31 177.53 3hq0 h THR 170 N 1.23 1.02 0.00 -1.55 1.35 -0.70 0.20 112.91 114.46 3hq0 h THR 170 Ca 0.34 -2.59 -0.08 0.00 -0.55 0.00 0.00 66.41 63.53 3hq0 h THR 170 Cb -0.13 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3hq0 h THR 170 CO -0.08 0.85 -0.75 -0.33 -0.25 0.00 0.00 175.52 174.96 3hq0 h GLU 171 N 0.11 0.00 0.00 4.72 5.08 -0.56 -3.35 114.58 120.57 3hq0 h GLU 171 Ca -0.32 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 3hq0 h GLU 171 Cb 2.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.33 3hq0 h GLU 171 CO 0.19 0.23 -1.36 0.28 -1.00 0.00 0.00 179.01 177.35 3hq0 n VAL 172 N -2.99 0.36 0.15 3.13 0.31 0.01 -4.78 118.33 114.51 3hq0 n VAL 172 Ca -0.01 -0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.28 3hq0 n VAL 172 Cb 0.68 -1.05 0.25 0.00 -0.91 0.00 0.00 33.84 32.81 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 -2.91 3.20 -1.41 7.52 7.99 -0.91 -4.95 117.00 125.53 3hq0 n LEU 173 Ca -0.12 -1.61 -0.16 0.00 -0.01 0.00 0.00 56.01 54.12 3hq0 n LEU 173 Cb 0.61 -0.41 -0.05 0.00 -0.11 0.00 0.00 43.42 43.46 3hq0 n LEU 173 CO 0.04 0.69 -0.17 0.61 -1.51 0.00 0.00 177.39 177.06 3hq0 n GLY 174 N 1.20 0.97 3.95 -0.72 0.00 -1.02 -4.51 105.19 105.05 3hq0 n GLY 174 Ca 0.19 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.65 2.59 -0.09 1.61 0.40 0.66 -4.73 117.98 115.77 3hq0 s PHE 175 Ca 0.00 0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.41 3hq0 s PHE 175 Cb 0.00 -3.14 0.03 0.00 0.51 0.00 0.00 43.02 40.43 3hq0 s PHE 175 CO 0.00 -1.43 0.35 1.52 0.70 0.00 0.00 175.22 176.36 3hq0 s TYR 176 N -3.17 -0.32 -0.03 0.36 -0.85 -0.17 -4.10 117.35 109.07 3hq0 s TYR 176 Ca 0.61 0.73 -0.30 0.00 -0.52 0.00 0.00 57.07 57.59 3hq0 s TYR 176 Cb -0.09 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.32 3hq0 s TYR 176 CO 0.44 -0.26 1.40 -1.17 -1.52 0.00 0.00 175.55 174.43 3hq0 s LEU 177 N -0.35 4.30 -0.25 -3.49 0.20 -1.26 -1.92 118.68 115.91 3hq0 s LEU 177 Ca -0.05 2.06 -0.03 0.00 0.69 0.00 0.00 54.13 56.81 3hq0 s LEU 177 Cb -0.03 -3.56 -0.17 0.00 -0.43 0.00 0.00 46.19 42.00 3hq0 s LEU 177 CO 0.02 -0.74 -0.17 0.52 -0.29 0.00 0.00 176.35 175.69 3hq0 n VAL 178 N 4.82 1.53 -3.79 1.68 0.31 -0.53 -4.05 118.33 118.30 3hq0 n VAL 178 Ca 0.13 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 3hq0 n VAL 178 Cb 0.44 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.52 0.80 -0.00 5.55 2.02 -1.23 -0.36 118.70 122.96 3hq0 s GLU 179 Ca -0.34 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 53.87 3hq0 s GLU 179 Cb 0.10 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.69 3hq0 s GLU 179 CO 0.60 -0.25 0.30 -0.98 0.02 0.00 0.00 175.26 174.95 3hq0 s ARG 180 N -2.89 0.69 -0.27 1.61 1.70 -0.63 -1.06 118.95 118.10 3hq0 s ARG 180 Ca -0.03 -0.26 -0.05 0.00 -0.47 0.00 0.00 55.73 54.93 3hq0 s ARG 180 Cb 0.00 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 3hq0 s ARG 180 CO -0.06 -0.20 0.02 0.08 -1.08 0.00 0.00 175.30 174.07 3hq0 s VAL 181 N -1.56 3.54 0.63 4.99 1.01 -0.11 -1.14 120.40 127.76 3hq0 s VAL 181 Ca -0.12 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3hq0 s VAL 181 Cb -0.04 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3hq0 s VAL 181 CO 0.03 0.16 1.10 -0.76 0.00 0.00 0.00 175.10 175.63 3hq0 s LEU 182 N 1.44 3.44 1.00 3.92 1.43 0.35 -0.06 118.68 130.19 3hq0 s LEU 182 Ca 0.02 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 54.91 3hq0 s LEU 182 Cb -0.17 -4.55 0.22 0.00 0.03 0.00 0.00 46.19 41.72 3hq0 s LEU 182 CO -0.00 -1.47 1.32 -0.94 0.23 0.00 0.00 176.35 175.48 3hq0 s SER 183 N -2.59 2.80 0.00 2.29 1.04 0.28 -3.20 113.70 114.32 3hq0 s SER 183 Ca 0.66 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3hq0 s SER 183 Cb -0.19 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.67 3hq0 s SER 183 CO 0.39 -2.93 0.00 -2.65 0.98 0.00 0.00 173.24 169.03 3hq0 n PRO 184 N -3.89 2.05 -0.41 4.02 -0.02 -1.26 -4.35 135.00 131.14 3hq0 n PRO 184 Ca 0.16 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.35 3hq0 n PRO 184 Cb 0.59 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.35 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 0.00 -2.41 -3.21 2.55 -0.08 -1.26 -3.81 116.55 108.34 3hq0 n ASP 185 Ca 0.00 -0.35 -0.09 0.00 -1.51 0.00 0.00 54.79 52.84 3hq0 n ASP 185 Cb 0.00 -1.19 0.03 0.00 2.34 0.00 0.00 41.12 42.30 3hq0 n ASP 185 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hq0 n GLY 186 N 1.26 -1.20 3.72 0.27 0.00 -1.26 -4.85 105.19 103.13 3hq0 n GLY 186 Ca 0.04 0.52 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.36 2.35 -3.56 1.61 8.00 -1.25 -4.92 116.55 116.42 3hq0 n ASP 187 Ca -0.05 0.94 -0.03 0.00 0.71 0.00 0.00 54.79 56.36 3hq0 n ASP 187 Cb 0.56 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3hq0 n ASP 187 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hq0 s SER 188 N -1.01 -0.08 -0.21 -2.24 1.04 -1.26 -4.98 113.70 104.95 3hq0 s SER 188 Ca 0.74 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 3hq0 s SER 188 Cb -0.42 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 3hq0 s SER 188 CO 0.48 -0.88 0.13 -1.81 0.98 0.00 0.00 173.24 172.13 3hq0 s ASP 189 N -3.17 6.01 0.18 7.02 1.01 -1.26 -0.56 116.67 125.89 3hq0 s ASP 189 Ca 0.17 0.13 0.22 0.00 0.71 0.00 0.00 52.55 53.78 3hq0 s ASP 189 Cb -0.01 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 3hq0 s ASP 189 CO 0.03 0.12 0.99 0.80 0.21 0.00 0.00 175.17 177.33 3hq0 n MET 190 N 3.89 0.61 -3.75 8.23 0.00 0.91 -4.81 117.12 122.20 3hq0 n MET 190 Ca -0.16 0.12 -0.13 0.00 -0.00 0.00 0.00 57.70 57.53 3hq0 n MET 190 Cb 0.52 -1.81 -0.10 0.00 0.00 0.00 0.00 33.22 31.83 3hq0 n MET 190 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hq0 s GLY 191 N -4.42 -0.25 -0.00 -5.12 0.00 -0.85 -1.33 107.32 95.34 3hq0 s GLY 191 Ca -0.01 0.91 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3hq0 s GLY 191 CO 0.80 0.75 -0.03 -0.42 0.00 0.00 0.00 173.10 174.20 3hq0 s ILE 192 N -0.08 0.24 -0.23 0.90 1.01 -0.47 -0.93 121.20 121.64 3hq0 s ILE 192 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3hq0 s ILE 192 Cb -0.03 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.26 3hq0 s ILE 192 CO 0.01 0.05 -0.12 0.26 0.00 0.00 0.00 174.94 175.14 3hq0 s TRP 193 N -0.12 3.01 -0.05 3.97 0.51 -0.22 -1.36 118.94 124.67 3hq0 s TRP 193 Ca 0.01 -1.75 -0.01 0.00 -2.12 0.00 0.00 56.10 52.23 3hq0 s TRP 193 Cb -0.01 -1.98 -0.04 0.00 -0.81 0.00 0.00 33.47 30.63 3hq0 s TRP 193 CO -0.00 -0.79 0.02 -0.51 -0.51 0.00 0.00 176.95 175.17 3hq0 s LEU 194 N 1.27 3.67 0.01 2.99 1.43 0.71 -1.45 118.68 127.31 3hq0 s LEU 194 Ca -0.00 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3hq0 s LEU 194 Cb -0.16 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3hq0 s LEU 194 CO -0.07 0.34 -0.19 -0.55 0.23 0.00 0.00 176.35 176.11 3hq0 s SER 195 N -1.21 2.20 -0.16 2.29 0.15 -0.81 0.70 113.70 116.86 3hq0 s SER 195 Ca 0.17 -0.39 0.14 0.00 0.70 0.00 0.00 55.95 56.56 3hq0 s SER 195 Cb -0.12 -0.22 0.36 0.00 -1.71 0.00 0.00 66.02 64.34 3hq0 s SER 195 CO 0.06 0.19 1.19 0.00 1.20 0.00 0.00 173.24 175.88 3hq0 n SER 197 N -1.09 3.23 -0.70 0.00 3.41 -1.26 -4.76 113.62 112.45 3hq0 n SER 197 Ca 0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.81 3hq0 n SER 197 Cb 0.70 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.22 -3.69 7.33 1.44 -1.26 -4.62 115.22 114.65 3hq0 n HIS 198 Ca 0.00 -1.51 -0.28 0.00 -2.01 0.00 0.00 57.72 53.92 3hq0 n HIS 198 Cb 0.00 -0.30 -0.03 0.00 0.12 0.00 0.00 29.99 29.78 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 -3.23 3.53 0.33 -1.40 1.02 -1.26 -3.89 119.74 114.83 3hq0 s LYS 199 Ca 0.39 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.10 3hq0 s LYS 199 Cb 0.38 -2.84 0.64 0.00 -0.52 0.00 0.00 37.83 35.49 3hq0 s LYS 199 CO -0.05 0.41 1.92 0.28 -0.92 0.00 0.00 175.35 176.98 3hq0 h VAL 200 N 1.58 1.02 -1.57 3.17 2.07 -1.91 -3.44 116.25 117.17 3hq0 h VAL 200 Ca -0.48 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 66.81 3hq0 h VAL 200 Cb 1.19 0.05 -0.27 0.00 -1.52 0.00 0.00 31.29 30.74 3hq0 h VAL 200 CO 0.68 0.16 0.47 -1.38 0.02 0.00 0.00 177.57 177.53 3hq0 s HIS 201 N -5.80 -0.46 -0.42 1.57 0.00 -1.26 -4.54 115.29 104.37 3hq0 s HIS 201 Ca -0.11 1.11 0.22 0.00 -3.00 0.00 0.00 55.06 53.28 3hq0 s HIS 201 Cb 0.20 0.37 -0.27 0.00 -4.00 0.00 0.00 32.58 28.88 3hq0 s HIS 201 CO 0.79 -0.22 0.68 -0.25 -1.00 0.00 0.00 174.74 174.74 3hq0 n ASP 202 N 2.28 0.42 -3.56 7.38 8.00 0.22 -4.70 116.55 126.58 3hq0 n ASP 202 Ca -0.13 -0.37 -0.10 0.00 0.71 0.00 0.00 54.79 54.90 3hq0 n ASP 202 Cb 0.56 1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 43.14 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 -1.01 -4.00 121.20 115.52 3hq0 s ILE 203 Ca -0.01 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 3hq0 s ILE 203 Cb 0.15 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 3hq0 s ILE 203 CO 0.89 0.00 0.05 0.00 -1.91 0.00 0.00 174.94 173.96 3hq0 s ALA 204 N -1.58 0.07 -0.00 1.50 0.00 -0.63 -0.20 121.76 120.91 3hq0 s ALA 204 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3hq0 s ALA 204 Cb -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3hq0 s ALA 204 CO -0.01 -0.29 -0.09 -0.06 0.00 0.00 0.00 175.76 175.32 3hq0 s PHE 205 N -2.53 0.79 -0.07 0.00 0.40 -0.47 -0.91 117.98 115.20 3hq0 s PHE 205 Ca -0.06 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 3hq0 s PHE 205 Cb -0.02 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 43.01 3hq0 s PHE 205 CO -0.04 -0.01 -0.20 0.08 0.70 0.00 0.00 175.22 175.75 3hq0 s VAL 206 N -0.30 1.68 -0.06 -0.44 1.01 -0.30 -1.37 120.40 120.62 3hq0 s VAL 206 Ca 0.03 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 3hq0 s VAL 206 Cb -0.04 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 3hq0 s VAL 206 CO -0.00 0.48 1.97 -0.70 0.00 0.00 0.00 175.10 176.84 3hq0 s GLU 207 N 0.23 3.84 -0.03 2.72 2.56 -0.44 -2.82 118.70 124.77 3hq0 s GLU 207 Ca -0.11 2.32 -0.02 0.00 0.00 0.00 0.00 54.97 57.17 3hq0 s GLU 207 Cb -0.15 -4.19 0.02 0.00 2.00 0.00 0.00 34.13 31.81 3hq0 s GLU 207 CO 0.05 -1.28 0.07 -0.47 -0.56 0.00 0.00 175.26 173.06 3hq0 s TYR 208 N 5.51 -0.06 0.27 5.30 5.04 -0.55 -4.87 117.35 128.00 3hq0 s TYR 208 Ca 0.89 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 3hq0 s TYR 208 Cb -0.37 -0.04 0.47 0.00 0.35 0.00 0.00 41.96 42.36 3hq0 s TYR 208 CO 0.38 -0.06 1.86 -1.35 -1.34 0.00 0.00 175.55 175.03 3hq0 h PRO 209 N 6.46 1.05 -6.60 4.97 0.11 -1.94 -0.14 132.00 135.92 3hq0 h PRO 209 Ca -0.31 -0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.22 3hq0 h PRO 209 Cb 1.18 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3hq0 h PRO 209 CO 0.47 0.69 0.16 -2.00 -0.21 0.00 0.00 178.00 177.11 3hq0 s GLU 210 N -6.00 4.38 0.29 1.05 2.56 -1.26 -4.57 118.70 115.14 3hq0 s GLU 210 Ca -0.12 1.01 0.07 0.00 0.00 0.00 0.00 54.97 55.93 3hq0 s GLU 210 Cb 0.21 -2.97 -0.03 0.00 2.00 0.00 0.00 34.13 33.35 3hq0 s GLU 210 CO 0.81 0.42 0.30 -1.59 -0.56 0.00 0.00 175.26 174.65 3hq0 s LYS 211 N -1.77 3.00 -0.32 4.30 -2.85 -1.26 -3.82 119.74 117.02 3hq0 s LYS 211 Ca 0.42 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 3hq0 s LYS 211 Cb -0.19 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 3hq0 s LYS 211 CO 0.23 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.34 3hq0 n GLY 212 N -1.36 0.55 3.81 0.59 0.00 -0.15 -4.94 105.19 103.68 3hq0 n GLY 212 Ca -0.05 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.50 4.33 -0.23 1.61 -0.14 -0.46 -4.68 119.74 118.67 3hq0 s LYS 213 Ca 0.00 1.12 -0.02 0.00 -1.36 0.00 0.00 55.97 55.71 3hq0 s LYS 213 Cb 0.00 -2.49 0.02 0.00 -1.68 0.00 0.00 37.83 33.68 3hq0 s LYS 213 CO 0.00 0.14 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.48 3hq0 s LEU 214 N -2.65 2.97 -0.11 3.17 1.98 -1.26 -0.88 118.68 121.90 3hq0 s LEU 214 Ca 0.55 -0.72 -0.25 0.00 -2.89 0.00 0.00 54.13 50.82 3hq0 s LEU 214 Cb -0.13 -1.66 -0.28 0.00 0.66 0.00 0.00 46.19 44.78 3hq0 s LEU 214 CO 0.18 -0.08 0.78 -0.74 -1.89 0.00 0.00 176.35 174.60 3hq0 h HIS 215 N 8.03 0.23 -1.31 5.38 -0.00 -1.62 -3.46 115.15 122.40 3hq0 h HIS 215 Ca -0.37 -0.17 0.25 0.00 -0.00 0.00 0.00 60.37 60.08 3hq0 h HIS 215 Cb 1.13 -0.01 -0.22 0.00 -0.00 0.00 0.00 27.41 28.31 3hq0 h HIS 215 CO 0.56 1.17 0.85 -3.38 -0.00 0.00 0.00 177.93 177.14 3hq0 s HIS 216 N -2.32 -0.11 0.04 5.26 -3.43 -1.12 -4.27 115.29 109.35 3hq0 s HIS 216 Ca -0.17 0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.22 3hq0 s HIS 216 Cb -0.01 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 3hq0 s HIS 216 CO 0.74 -0.14 0.06 0.00 -2.00 0.00 0.00 174.74 173.40 3hq0 s SER 218 N -2.07 2.58 -0.05 0.00 0.15 0.16 -1.15 113.70 113.31 3hq0 s SER 218 Ca 0.26 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.52 3hq0 s SER 218 Cb -0.12 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.92 3hq0 s SER 218 CO 0.18 0.23 -0.25 -0.36 1.20 0.00 0.00 173.24 174.24 3hq0 s PHE 219 N -0.62 2.41 0.05 3.44 0.40 0.12 -0.35 117.98 123.42 3hq0 s PHE 219 Ca 0.08 -0.70 -0.22 0.00 -0.60 0.00 0.00 56.93 55.49 3hq0 s PHE 219 Cb -0.09 -1.58 -0.06 0.00 0.51 0.00 0.00 43.02 41.80 3hq0 s PHE 219 CO 0.00 -0.20 0.67 -1.17 0.70 0.00 0.00 175.22 175.22 3hq0 s LEU 220 N -0.20 4.47 0.30 -0.37 2.96 -0.62 -1.88 118.68 123.34 3hq0 s LEU 220 Ca -0.02 1.34 0.09 0.00 -0.22 0.00 0.00 54.13 55.32 3hq0 s LEU 220 Cb -0.13 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3hq0 s LEU 220 CO 0.03 0.12 0.03 -0.76 -1.32 0.00 0.00 176.35 174.45 3hq0 s LEU 221 N -0.44 3.17 0.06 -0.68 1.02 0.27 0.50 118.68 122.57 3hq0 s LEU 221 Ca 0.34 -0.74 -0.15 0.00 0.02 0.00 0.00 54.13 53.60 3hq0 s LEU 221 Cb -0.20 -1.65 -0.24 0.00 0.02 0.00 0.00 46.19 44.12 3hq0 s LEU 221 CO 0.21 -0.11 1.17 -0.33 0.02 0.00 0.00 176.35 177.31 3hq0 h GLU 222 N 1.80 0.65 -3.87 1.70 4.39 -1.94 -3.41 114.58 113.91 3hq0 h GLU 222 Ca -0.44 -0.72 -0.17 0.00 0.34 0.00 0.00 59.36 58.37 3hq0 h GLU 222 Cb 1.25 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 30.03 3hq0 h GLU 222 CO 0.62 1.30 -0.14 -1.54 -1.16 0.00 0.00 179.01 178.09 3hq0 s SER 223 N -7.22 0.44 0.20 1.42 1.04 -1.26 -4.94 113.70 103.38 3hq0 s SER 223 Ca -0.10 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 54.99 3hq0 s SER 223 Cb 0.06 0.64 0.12 0.00 0.10 0.00 0.00 66.02 66.95 3hq0 s SER 223 CO 0.91 -1.26 1.73 -0.25 0.98 0.00 0.00 173.24 175.34 3hq0 h TRP 224 N 2.17 1.20 -0.25 5.02 -0.00 -1.94 -1.79 115.95 120.36 3hq0 h TRP 224 Ca -0.28 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.89 58.45 3hq0 h TRP 224 Cb 1.24 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 30.05 3hq0 h TRP 224 CO 1.05 0.96 0.06 0.93 -0.00 0.00 0.00 178.44 181.43 3hq0 h GLU 225 N 1.09 0.36 -0.29 2.65 5.08 -2.00 -0.98 114.58 120.48 3hq0 h GLU 225 Ca 0.23 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3hq0 h GLU 225 Cb 0.35 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hq0 h GLU 225 CO -0.00 0.34 -0.15 1.96 -1.00 0.00 0.00 179.01 180.16 3hq0 h GLN 226 N 0.36 0.51 -0.76 2.33 1.08 -1.73 -0.04 115.11 116.85 3hq0 h GLN 226 Ca 0.09 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3hq0 h GLN 226 Cb 0.14 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3hq0 h GLN 226 CO -0.00 0.65 0.27 0.28 -0.95 0.00 0.00 178.83 179.07 3hq0 h VAL 227 N 0.46 1.26 -0.40 -0.54 2.07 -0.77 0.14 116.25 118.48 3hq0 h VAL 227 Ca 0.08 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 3hq0 h VAL 227 Cb 0.53 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hq0 h VAL 227 CO 0.03 0.35 -0.29 0.25 0.02 0.00 0.00 177.57 177.93 3hq0 h LEU 228 N 1.11 0.89 -0.77 2.57 5.85 -0.89 -1.91 115.31 122.17 3hq0 h LEU 228 Ca 0.25 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3hq0 h LEU 228 Cb 0.27 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3hq0 h LEU 228 CO -0.01 1.12 0.37 -0.09 -0.34 0.00 0.00 178.44 179.49 3hq0 h ARG 229 N 0.73 1.10 -0.88 1.25 2.43 -0.48 -1.36 114.38 117.17 3hq0 h ARG 229 Ca 0.08 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hq0 h ARG 229 Cb 0.85 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3hq0 h ARG 229 CO 0.07 0.85 0.54 0.00 -1.51 0.00 0.00 179.97 179.92 3hq0 h ALA 230 N 1.19 1.13 -0.16 2.80 0.00 -0.50 -0.90 119.26 122.83 3hq0 h ALA 230 Ca 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hq0 h ALA 230 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hq0 h ALA 230 CO -0.03 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.65 3hq0 h GLY 231 N 1.21 0.20 0.88 0.00 0.00 -0.64 -0.87 103.07 103.86 3hq0 h GLY 231 Ca 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.61 3hq0 h GLY 231 CO -0.06 0.04 0.01 -0.55 0.00 0.00 0.00 176.54 175.98 3hq0 h ASP 232 N 0.15 -0.01 -0.99 0.19 3.32 -0.80 -1.78 116.42 116.51 3hq0 h ASP 232 Ca 0.06 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.22 3hq0 h ASP 232 Cb 0.02 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 3hq0 h ASP 232 CO -0.05 0.01 0.63 0.40 -1.72 0.00 0.00 179.24 178.51 3hq0 h ILE 233 N 0.05 1.00 -0.33 0.35 2.04 -0.96 0.10 117.51 119.76 3hq0 h ILE 233 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3hq0 h ILE 233 Cb 0.04 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 3hq0 h ILE 233 CO -0.06 0.19 0.15 0.24 0.00 0.00 0.00 178.15 178.67 3hq0 h MET 234 N 1.06 0.48 -0.18 2.37 2.86 -0.72 -2.22 114.93 118.59 3hq0 h MET 234 Ca 0.45 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 3hq0 h MET 234 Cb 0.33 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3hq0 h MET 234 CO -0.21 0.45 0.09 1.03 1.06 0.00 0.00 176.91 179.33 3hq0 h SER 235 N 0.40 0.23 -0.83 1.22 0.87 -0.37 0.22 113.55 115.28 3hq0 h SER 235 Ca 0.11 -0.11 0.18 0.00 -1.23 0.00 0.00 61.79 60.75 3hq0 h SER 235 Cb 0.13 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 3hq0 h SER 235 CO -0.01 0.27 0.55 0.24 -0.53 0.00 0.00 176.83 177.35 3hq0 h MET 236 N 0.17 0.38 -0.64 2.24 2.07 -0.72 0.13 114.93 118.54 3hq0 h MET 236 Ca 0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3hq0 h MET 236 Cb 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 3hq0 h MET 236 CO -0.01 0.25 0.00 0.09 1.07 0.00 0.00 176.91 178.31 3hq0 n ASN 237 N -4.48 4.64 -3.95 1.22 4.13 -0.85 -4.95 115.26 111.02 3hq0 n ASN 237 Ca 0.17 -2.41 -0.28 0.00 1.68 0.00 0.00 54.58 53.75 3hq0 n ASN 237 Cb 0.63 -0.56 -0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 1.13 -4.04 -3.06 3.52 1.02 0.44 -4.94 120.64 114.70 3hq0 n GLU 238 Ca 0.25 0.48 -0.39 0.00 -0.02 0.00 0.00 57.16 57.48 3hq0 n GLU 238 Cb 0.86 -4.96 -0.05 0.00 -0.02 0.00 0.00 31.44 27.26 3hq0 n GLU 238 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hq0 s VAL 239 N -3.64 4.77 -0.18 2.62 1.01 0.64 -5.00 120.40 120.61 3hq0 s VAL 239 Ca 0.28 1.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 3hq0 s VAL 239 Cb -0.14 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3hq0 s VAL 239 CO 0.87 0.40 1.49 0.20 0.00 0.00 0.00 175.10 178.05 3hq0 s ASN 240 N -0.19 6.63 -0.15 3.32 0.02 -1.26 -4.65 114.94 118.66 3hq0 s ASN 240 Ca 0.36 1.72 -0.11 0.00 -1.02 0.00 0.00 52.86 53.81 3hq0 s ASN 240 Cb -0.20 -2.53 -0.05 0.00 0.02 0.00 0.00 41.25 38.49 3hq0 s ASN 240 CO 0.21 -1.03 0.21 -0.69 0.02 0.00 0.00 177.10 175.82 3hq0 s VAL 241 N 4.38 5.37 0.00 1.60 1.01 -1.26 -0.51 120.40 130.99 3hq0 s VAL 241 Ca 0.65 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3hq0 s VAL 241 Cb -0.25 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3hq0 s VAL 241 CO 0.25 0.48 0.05 -0.67 0.00 0.00 0.00 175.10 175.20 3hq0 n ASP 242 N 3.00 0.00 -4.12 3.32 -0.08 0.27 -4.82 116.55 114.12 3hq0 n ASP 242 Ca -0.16 0.20 -0.33 0.00 -1.51 0.00 0.00 54.79 53.00 3hq0 n ASP 242 Cb 0.53 -0.17 -0.15 0.00 2.34 0.00 0.00 41.12 43.67 3hq0 n ASP 242 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3hq0 s ILE 243 N -0.43 2.37 0.86 5.18 1.10 -1.17 -4.98 121.20 124.13 3hq0 s ILE 243 Ca 0.00 -1.33 -0.12 0.00 -0.51 0.00 0.00 60.65 58.69 3hq0 s ILE 243 Cb 0.00 -2.27 0.07 0.00 0.15 0.00 0.00 42.46 40.41 3hq0 s ILE 243 CO 0.00 0.14 -0.03 0.61 -2.11 0.00 0.00 174.94 173.54 3hq0 n GLY 244 N 4.54 -2.10 3.66 1.50 0.00 -1.26 -2.70 105.19 108.82 3hq0 n GLY 244 Ca -0.16 -0.48 -0.47 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.12 2.05 -2.81 1.61 -0.04 -1.26 -4.57 135.00 129.86 3hq0 n PRO 245 Ca 0.03 0.74 -0.03 0.00 -0.04 0.00 0.00 63.50 64.20 3hq0 n PRO 245 Cb 0.31 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.29 3hq0 n PRO 245 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hq0 n THR 246 N 3.35 0.00 -4.58 0.52 5.66 -0.09 -4.99 114.28 114.14 3hq0 n THR 246 Ca 0.17 -0.43 -0.34 0.00 -3.05 0.00 0.00 64.05 60.40 3hq0 n THR 246 Cb 0.28 0.51 -0.11 0.00 -1.55 0.00 0.00 70.33 69.46 3hq0 n THR 246 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hq0 s ARG 247 N -2.04 2.72 0.00 1.09 6.06 -1.26 -0.22 118.95 125.30 3hq0 s ARG 247 Ca 0.12 -0.58 0.00 0.00 -2.50 0.00 0.00 55.73 52.77 3hq0 s ARG 247 Cb -0.02 -2.58 0.00 0.00 0.06 0.00 0.00 34.95 32.41 3hq0 s ARG 247 CO 0.05 0.65 0.01 0.72 -2.50 0.00 0.00 175.30 174.23 3hq0 n HIS 248 N 2.07 0.00 0.00 5.12 8.25 -0.27 -0.06 115.22 130.34 3hq0 n HIS 248 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3hq0 n HIS 248 Cb 0.53 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 2.04 3.15 3.54 -1.41 0.00 -1.23 -1.80 105.19 109.48 3hq0 n GLY 249 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3hq0 n GLY 249 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hq0 s VAL 250 N 0.00 3.87 0.00 1.61 1.01 -0.50 -2.76 120.40 123.63 3hq0 s VAL 250 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3hq0 s VAL 250 Cb 0.00 -4.92 0.00 0.00 0.00 0.00 0.00 36.38 31.46 3hq0 s VAL 250 CO 0.00 -1.82 0.00 0.41 0.00 0.00 0.00 175.10 173.69 3hq0 n THR 251 N 6.41 0.00 -0.77 3.92 -1.04 -1.26 -4.49 114.28 117.04 3hq0 n THR 251 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3hq0 n THR 251 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 3hq0 n THR 251 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hq0 n ARG 252 N -1.58 -0.06 -1.81 -2.82 1.74 -1.11 -4.14 116.66 106.88 3hq0 n ARG 252 Ca 0.00 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3hq0 n ARG 252 Cb 0.00 -3.50 -0.03 0.00 -1.02 0.00 0.00 32.46 27.91 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 -2.00 1.42 -0.25 -0.13 0.00 -1.26 -4.47 107.32 100.62 3hq0 s GLY 253 Ca 0.00 1.39 -0.20 0.00 0.00 0.00 0.00 44.72 45.90 3hq0 s GLY 253 CO 0.00 2.96 0.64 0.00 0.00 0.00 0.00 173.10 176.69 3hq0 s THR 255 N 2.52 0.00 -0.08 0.00 -1.32 0.69 -2.00 115.64 115.46 3hq0 s THR 255 Ca 0.26 -1.62 -0.07 0.00 -1.21 0.00 0.00 61.69 59.05 3hq0 s THR 255 Cb -0.15 -2.61 0.02 0.00 -1.51 0.00 0.00 72.50 68.24 3hq0 s THR 255 CO 0.08 0.00 0.20 -0.63 -2.21 0.00 0.00 174.62 172.07 3hq0 s ILE 256 N -3.14 -0.00 -0.07 5.08 1.01 -1.09 -0.92 121.20 122.08 3hq0 s ILE 256 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 60.65 61.00 3hq0 s ILE 256 Cb -0.00 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 3hq0 s ILE 256 CO 0.20 0.00 -0.16 -0.31 0.00 0.00 0.00 174.94 174.67 3hq0 s TYR 257 N 0.14 2.68 0.25 3.97 2.02 -1.10 -2.44 117.35 122.87 3hq0 s TYR 257 Ca -0.00 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 3hq0 s TYR 257 Cb -0.02 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3hq0 s TYR 257 CO 0.00 0.03 0.30 0.00 -1.57 0.00 0.00 175.55 174.31 3hq0 s ALA 258 N -0.39 0.80 0.02 3.71 0.00 -0.99 0.94 121.76 125.86 3hq0 s ALA 258 Ca 0.04 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.58 3hq0 s ALA 258 Cb -0.12 1.27 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 3hq0 s ALA 258 CO 0.02 -0.71 -0.20 -1.58 0.00 0.00 0.00 175.76 173.30 3hq0 s TRP 259 N -3.84 2.51 0.92 0.00 0.51 0.33 -1.14 118.94 118.24 3hq0 s TRP 259 Ca 0.33 -0.29 -0.14 0.00 -2.12 0.00 0.00 56.10 53.88 3hq0 s TRP 259 Cb 0.03 -1.47 0.18 0.00 -0.81 0.00 0.00 33.47 31.40 3hq0 s TRP 259 CO 0.15 0.19 1.27 0.16 -0.51 0.00 0.00 176.95 178.21 3hq0 s ASP 260 N -1.23 3.34 0.66 2.95 1.47 -0.31 -4.33 116.67 119.22 3hq0 s ASP 260 Ca 0.13 0.21 0.38 0.00 1.18 0.00 0.00 52.55 54.45 3hq0 s ASP 260 Cb -0.10 -0.32 2.08 0.00 -0.34 0.00 0.00 42.92 44.24 3hq0 s ASP 260 CO 0.03 -2.58 2.19 -0.65 0.68 0.00 0.00 175.17 174.84 3hq0 h PRO 261 N -1.47 0.00 -0.62 2.11 0.11 -1.91 -2.17 132.00 128.05 3hq0 h PRO 261 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hq0 h PRO 261 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hq0 h PRO 261 CO 0.40 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.62 3hq0 n SER 262 N -3.06 3.73 0.00 -2.05 7.64 -1.26 -4.95 113.62 113.67 3hq0 n SER 262 Ca -0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.87 3hq0 n SER 262 Cb 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.48 0.75 3.67 0.23 0.00 -0.82 -4.65 105.19 105.86 3hq0 n GLY 263 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.68 7.08 0.19 1.61 0.02 -1.26 -4.79 114.94 115.10 3hq0 s ASN 264 Ca 0.00 1.55 -0.30 0.00 -1.02 0.00 0.00 52.86 53.09 3hq0 s ASN 264 Cb 0.00 -2.55 -0.08 0.00 0.02 0.00 0.00 41.25 38.65 3hq0 s ASN 264 CO 0.00 -0.64 1.01 -0.60 0.02 0.00 0.00 177.10 176.89 3hq0 s ARG 265 N 2.91 4.71 0.25 -0.60 3.52 -1.26 -1.16 118.95 127.31 3hq0 s ARG 265 Ca 0.49 1.58 0.04 0.00 -0.13 0.00 0.00 55.73 57.70 3hq0 s ARG 265 Cb -0.19 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3hq0 s ARG 265 CO 0.13 0.27 0.00 -0.59 -0.81 0.00 0.00 175.30 174.30 3hq0 s PHE 266 N -0.56 1.64 0.02 5.12 -0.12 -0.29 -2.91 117.98 120.87 3hq0 s PHE 266 Ca 0.45 -0.91 0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3hq0 s PHE 266 Cb -0.27 -0.96 -0.02 0.00 -0.63 0.00 0.00 43.02 41.14 3hq0 s PHE 266 CO 0.33 -0.01 -0.06 -2.00 -0.05 0.00 0.00 175.22 173.43 3hq0 s GLU 267 N -3.86 0.43 -0.20 1.99 2.12 -0.30 -2.35 118.70 116.53 3hq0 s GLU 267 Ca 0.30 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 3hq0 s GLU 267 Cb 0.06 -0.25 0.06 0.00 0.26 0.00 0.00 34.13 34.25 3hq0 s GLU 267 CO 0.10 0.05 -0.01 0.95 -0.54 0.00 0.00 175.26 175.81 3hq0 s THR 268 N -0.92 0.99 0.28 -1.70 -4.23 -1.02 0.12 115.64 109.15 3hq0 s THR 268 Ca -0.07 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 3hq0 s THR 268 Cb -0.07 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 3hq0 s THR 268 CO 0.00 -0.11 0.30 2.22 -0.54 0.00 0.00 174.62 176.49 3hq0 n PHE 269 N 4.88 -0.90 -3.51 3.99 -1.74 -0.79 -2.66 117.46 116.74 3hq0 n PHE 269 Ca -0.10 -2.13 -0.09 0.00 -0.56 0.00 0.00 57.45 54.56 3hq0 n PHE 269 Cb 0.46 0.32 -0.02 0.00 1.52 0.00 0.00 39.48 41.77 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 -2.92 1.02 0.00 3.97 0.23 -0.85 0.93 119.30 121.70 3hq0 s MET 270 Ca 0.29 -0.41 0.00 0.00 -1.03 0.00 0.00 55.69 54.54 3hq0 s MET 270 Cb 0.01 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 3hq0 s MET 270 CO 0.21 -0.45 0.00 0.41 -2.03 0.00 0.00 175.02 173.15 3hq0 n GLY 271 N -0.31 1.48 0.00 3.16 0.00 -1.26 -1.59 105.19 106.67 3hq0 n GLY 271 Ca -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.72 3.99 0.00 -0.02 0.00 -1.26 -4.46 105.19 105.16 3hq0 n GLY 272 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.77 -0.86 -3.46 1.61 0.18 -1.26 -5.04 117.16 106.56 3hq0 n TYR 273 Ca 0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 3hq0 n TYR 273 Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 3hq0 n TYR 273 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 3hq0 n HIS 274 N -0.40 1.30 -1.87 -3.48 8.25 -1.26 -4.48 115.22 113.28 3hq0 n HIS 274 Ca 0.00 -3.81 -0.34 0.00 -0.26 0.00 0.00 57.72 53.31 3hq0 n HIS 274 Cb 0.00 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 30.84 3hq0 n HIS 274 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hq0 s PRO 275 N -1.25 2.91 0.11 -0.41 0.04 -1.25 -5.00 135.00 130.15 3hq0 s PRO 275 Ca 0.33 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.86 3hq0 s PRO 275 Cb 0.08 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3hq0 s PRO 275 CO -0.12 -1.17 -0.09 0.71 0.04 0.00 0.00 177.00 176.37 3hq0 s TYR 276 N -2.19 1.05 0.64 0.56 2.02 -1.26 -4.18 117.35 113.99 3hq0 s TYR 276 Ca 0.69 -0.77 0.27 0.00 -0.37 0.00 0.00 57.07 56.89 3hq0 s TYR 276 Cb -0.22 -0.57 1.46 0.00 -0.40 0.00 0.00 41.96 42.24 3hq0 s TYR 276 CO 0.38 -0.03 1.84 -1.35 -1.57 0.00 0.00 175.55 174.82 3hq0 h PRO 277 N 3.16 0.00 -0.00 -1.71 0.11 -1.98 0.01 132.00 131.59 3hq0 h PRO 277 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hq0 h PRO 277 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hq0 h PRO 277 CO 0.60 0.00 -0.03 -0.40 -0.21 0.00 0.00 178.00 177.95 3hq0 n ASP 278 N -3.09 0.47 -4.83 -2.05 5.75 -1.26 -4.88 116.55 106.66 3hq0 n ASP 278 Ca 0.01 -0.92 -0.35 0.00 -0.01 0.00 0.00 54.79 53.52 3hq0 n ASP 278 Cb 0.52 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.51 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 -2.18 3.60 0.20 2.11 4.12 -0.01 -5.08 117.35 120.11 3hq0 s TYR 279 Ca 0.39 1.21 -0.20 0.00 0.02 0.00 0.00 57.07 58.49 3hq0 s TYR 279 Cb 0.21 -2.49 -0.08 0.00 -1.52 0.00 0.00 41.96 38.08 3hq0 s TYR 279 CO 0.40 0.35 0.70 -1.21 0.02 0.00 0.00 175.55 175.82 3hq0 s GLU 280 N -2.10 4.25 0.85 -0.62 0.41 -1.26 -4.96 118.70 115.27 3hq0 s GLU 280 Ca 0.42 0.85 -0.11 0.00 -0.41 0.00 0.00 54.97 55.72 3hq0 s GLU 280 Cb -0.15 -2.94 0.11 0.00 -1.78 0.00 0.00 34.13 29.37 3hq0 s GLU 280 CO 0.20 0.43 1.15 -1.25 -0.49 0.00 0.00 175.26 175.30 3hq0 s PRO 281 N -1.85 1.51 -0.01 0.39 0.04 -1.26 -5.00 135.00 128.83 3hq0 s PRO 281 Ca 0.41 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 3hq0 s PRO 281 Cb -0.17 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3hq0 s PRO 281 CO 0.21 -2.26 0.17 -0.51 0.04 0.00 0.00 177.00 174.65 3hq0 s LEU 282 N -6.17 4.30 0.04 -3.56 1.43 0.52 -4.95 118.68 110.29 3hq0 s LEU 282 Ca 0.67 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 3hq0 s LEU 282 Cb -0.23 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 3hq0 s LEU 282 CO 0.55 0.26 -0.25 -0.44 0.23 0.00 0.00 176.35 176.70 3hq0 s SER 283 N -1.93 2.98 -0.04 2.29 0.01 -1.26 -1.60 113.70 114.15 3hq0 s SER 283 Ca 0.27 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 57.04 3hq0 s SER 283 Cb -0.13 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 3hq0 s SER 283 CO 0.18 0.24 -0.24 0.26 0.41 0.00 0.00 173.24 174.10 3hq0 s TRP 284 N -0.77 2.27 0.25 2.43 0.52 -0.29 -4.98 118.94 118.38 3hq0 s TRP 284 Ca 0.11 -0.56 -0.22 0.00 0.02 0.00 0.00 56.10 55.44 3hq0 s TRP 284 Cb -0.10 -1.48 -0.09 0.00 -1.15 0.00 0.00 33.47 30.66 3hq0 s TRP 284 CO 0.02 -0.13 0.80 0.95 0.02 0.00 0.00 176.95 178.61 3hq0 s THR 285 N -0.34 4.44 0.21 2.01 -4.23 -1.26 -0.50 115.64 115.97 3hq0 s THR 285 Ca 0.03 1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 61.93 3hq0 s THR 285 Cb -0.12 -3.92 0.15 0.00 1.34 0.00 0.00 72.50 69.95 3hq0 s THR 285 CO 0.01 0.20 1.77 0.22 -0.54 0.00 0.00 174.62 176.28 3hq0 h TYR 286 N 3.37 0.55 -0.42 3.99 3.20 -1.74 -1.27 116.97 124.64 3hq0 h TYR 286 Ca -0.47 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.45 3hq0 h TYR 286 Cb 1.19 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3hq0 h TYR 286 CO 0.63 0.21 0.28 0.38 -1.64 0.00 0.00 178.16 178.02 3hq0 h ASP 287 N 0.54 0.41 -0.53 -2.11 3.04 -1.91 -0.56 116.42 115.31 3hq0 h ASP 287 Ca 0.31 -0.01 -0.08 0.00 -3.24 0.00 0.00 57.03 54.02 3hq0 h ASP 287 Cb 0.31 -0.10 -0.05 0.00 -1.04 0.00 0.00 39.33 38.46 3hq0 h ASP 287 CO -0.25 0.29 0.10 -3.20 -2.04 0.00 0.00 179.24 174.14 3hq0 n ASN 288 N -4.48 4.61 -0.19 4.15 5.15 -0.52 -4.56 115.26 119.42 3hq0 n ASN 288 Ca 0.04 -2.85 -0.02 0.00 -0.60 0.00 0.00 54.58 51.15 3hq0 n ASN 288 Cb 0.13 -0.67 0.08 0.00 -0.53 0.00 0.00 39.78 38.79 3hq0 n ASN 288 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3hq0 h PHE 289 N 2.79 0.49 -0.32 1.20 3.57 -0.61 -3.01 116.94 121.04 3hq0 h PHE 289 Ca 0.09 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3hq0 h PHE 289 Cb 1.85 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 40.38 3hq0 h PHE 289 CO 0.96 0.20 -0.48 0.00 -2.23 0.00 0.00 178.31 176.76 3hq0 h ALA 290 N 1.35 -0.63 -0.24 2.41 0.00 -1.82 0.43 119.26 120.76 3hq0 h ALA 290 Ca 0.27 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3hq0 h ALA 290 Cb 0.24 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hq0 h ALA 290 CO -0.22 -0.96 0.17 0.37 0.00 0.00 0.00 179.25 178.60 3hq0 h GLN 291 N -0.42 0.04 -0.09 0.00 4.15 -1.68 0.14 115.11 117.25 3hq0 h GLN 291 Ca 0.09 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 3hq0 h GLN 291 Cb 0.61 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3hq0 h GLN 291 CO -0.53 0.03 -0.46 0.78 -1.93 0.00 0.00 178.83 176.72 3hq0 h GLY 292 N 0.04 0.23 1.00 2.39 0.00 -0.83 -2.78 103.07 103.13 3hq0 h GLY 292 Ca 0.11 -0.23 -0.33 0.00 0.00 0.00 0.00 47.33 46.88 3hq0 h GLY 292 CO -0.01 0.21 -1.71 -2.00 0.00 0.00 0.00 176.54 173.04 3hq0 h LEU 293 N 0.17 0.46 -6.89 3.11 7.12 -0.09 -1.31 115.31 117.88 3hq0 h LEU 293 Ca 0.01 -0.72 -0.52 0.00 0.13 0.00 0.00 57.88 56.77 3hq0 h LEU 293 Cb 0.88 -0.15 -0.40 0.00 -0.53 0.00 0.00 40.66 40.45 3hq0 h LEU 293 CO 0.07 1.62 -0.77 -0.62 -0.13 0.00 0.00 178.44 178.60 3hq0 s ASP 294 N -7.05 3.36 0.03 1.25 -1.08 0.33 -4.41 116.67 109.10 3hq0 s ASP 294 Ca -0.14 -1.19 -0.26 0.00 -0.52 0.00 0.00 52.55 50.44 3hq0 s ASP 294 Cb 0.06 -0.39 -0.15 0.00 -1.46 0.00 0.00 42.92 40.99 3hq0 s ASP 294 CO 0.84 -0.42 1.25 0.22 0.52 0.00 0.00 175.17 177.58 3hq0 h TYR 295 N 8.37 -0.88 -1.15 -5.34 3.20 0.34 -3.22 116.97 118.29 3hq0 h TYR 295 Ca -0.18 -0.02 0.33 0.00 3.14 0.00 0.00 58.73 61.99 3hq0 h TYR 295 Cb 1.04 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 39.51 3hq0 h TYR 295 CO 0.27 -0.55 0.76 -1.00 -1.64 0.00 0.00 178.16 176.01 3hq0 h PRO 296 N -1.07 0.23 -0.01 1.82 0.13 -1.88 -3.46 132.00 127.76 3hq0 h PRO 296 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3hq0 h PRO 296 Cb 0.73 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3hq0 h PRO 296 CO 0.16 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.12