#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hq4 s ALA 2 N 0.00 3.85 0.22 -5.12 0.00 -1.26 -4.93 121.76 114.52 3hq4 s ALA 2 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 3hq4 s ALA 2 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.36 3hq4 s ALA 2 CO 0.00 0.59 1.52 0.08 0.00 0.00 0.00 175.76 177.94 3hq4 s VAL 3 N -1.69 2.55 -0.26 0.00 1.01 -0.07 -4.86 120.40 117.08 3hq4 s VAL 3 Ca 0.33 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3hq4 s VAL 3 Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3hq4 s VAL 3 CO 0.27 0.05 0.24 -0.54 0.00 0.00 0.00 175.10 175.13 3hq4 s LYS 4 N 0.25 4.01 -0.02 2.72 1.02 -1.26 -1.04 119.74 125.42 3hq4 s LYS 4 Ca 0.64 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.48 3hq4 s LYS 4 Cb -0.44 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 3hq4 s LYS 4 CO 0.39 -0.14 -0.07 0.08 -0.92 0.00 0.00 175.35 174.68 3hq4 s VAL 5 N 1.64 3.62 0.03 3.17 1.01 0.30 -1.00 120.40 129.17 3hq4 s VAL 5 Ca 0.10 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3hq4 s VAL 5 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3hq4 s VAL 5 CO 0.09 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.44 3hq4 s ALA 6 N -0.92 2.38 -0.30 5.51 0.00 -0.66 -0.40 121.76 127.39 3hq4 s ALA 6 Ca 0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 3hq4 s ALA 6 Cb -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3hq4 s ALA 6 CO 0.05 0.55 0.10 0.42 0.00 0.00 0.00 175.76 176.88 3hq4 s ILE 7 N -0.83 4.12 -0.35 0.00 1.01 -0.65 -0.53 121.20 123.98 3hq4 s ILE 7 Ca 0.13 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 3hq4 s ILE 7 Cb -0.10 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 3hq4 s ILE 7 CO 0.03 0.08 0.44 0.21 0.00 0.00 0.00 174.94 175.70 3hq4 s ASN 8 N 1.53 6.25 0.00 3.58 2.47 0.09 -0.59 114.94 128.27 3hq4 s ASN 8 Ca 0.03 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.17 3hq4 s ASN 8 Cb -0.17 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 3hq4 s ASN 8 CO 0.03 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 3hq4 n GLY 9 N 4.87 -1.47 2.63 1.21 0.00 0.73 0.33 105.19 113.49 3hq4 n GLY 9 Ca -0.07 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 3hq4 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hq4 n PHE 10 N 0.34 2.63 -1.19 1.61 7.35 -1.24 -3.81 117.46 123.16 3hq4 n PHE 10 Ca 0.00 -2.53 0.00 0.00 -0.76 0.00 0.00 57.45 54.16 3hq4 n PHE 10 Cb 0.00 -1.39 0.00 0.00 0.35 0.00 0.00 39.48 38.44 3hq4 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hq4 n GLY 11 N 0.45 1.53 0.16 7.13 0.00 -1.26 -4.47 105.19 108.73 3hq4 n GLY 11 Ca 0.53 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3hq4 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hq4 h ARG 12 N 0.00 -0.22 -0.27 1.61 2.47 -1.92 -1.00 114.38 115.05 3hq4 h ARG 12 Ca 0.00 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 3hq4 h ARG 12 Cb 0.00 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3hq4 h ARG 12 CO 0.00 -0.15 -0.25 0.82 0.56 0.00 0.00 179.97 180.95 3hq4 h ILE 13 N -0.23 1.31 -0.02 2.04 1.08 -1.90 -1.95 117.51 117.83 3hq4 h ILE 13 Ca 0.02 -1.41 0.03 0.00 -0.39 0.00 0.00 64.86 63.11 3hq4 h ILE 13 Cb 0.24 1.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.55 3hq4 h ILE 13 CO -0.06 0.45 -0.37 1.23 -0.69 0.00 0.00 178.15 178.70 3hq4 h GLY 14 N 0.37 -0.65 1.00 5.37 0.00 -1.63 0.73 103.07 108.26 3hq4 h GLY 14 Ca 0.04 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3hq4 h GLY 14 CO 0.06 -0.24 0.36 3.21 0.00 0.00 0.00 176.54 179.93 3hq4 h ARG 15 N -0.51 0.80 -0.23 4.80 3.08 -1.20 0.10 114.38 121.21 3hq4 h ARG 15 Ca 0.06 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3hq4 h ARG 15 Cb 0.61 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3hq4 h ARG 15 CO -0.31 0.58 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.86 3hq4 h LEU 16 N 0.80 0.44 -0.36 3.04 3.38 -1.29 -0.41 115.31 120.91 3hq4 h LEU 16 Ca 0.21 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3hq4 h LEU 16 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hq4 h LEU 16 CO -0.04 0.68 -0.41 0.00 0.09 0.00 0.00 178.44 178.76 3hq4 h ALA 17 N 1.36 0.53 -0.06 1.53 0.00 -0.38 0.12 119.26 122.37 3hq4 h ALA 17 Ca 0.06 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3hq4 h ALA 17 Cb 0.64 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3hq4 h ALA 17 CO 0.05 0.66 -0.24 0.35 0.00 0.00 0.00 179.25 180.07 3hq4 h PHE 18 N 0.73 -0.63 -0.81 0.00 3.57 -0.41 0.50 116.94 119.88 3hq4 h PHE 18 Ca 0.05 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3hq4 h PHE 18 Cb 1.01 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 3hq4 h PHE 18 CO 0.07 -0.32 0.47 0.00 -2.23 0.00 0.00 178.31 176.29 3hq4 h ARG 19 N -0.34 0.78 -0.43 1.11 3.08 -0.92 -2.71 114.38 114.94 3hq4 h ARG 19 Ca 0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3hq4 h ARG 19 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hq4 h ARG 19 CO -0.25 0.51 -0.12 -0.09 -1.07 0.00 0.00 179.97 178.95 3hq4 h ARG 20 N 0.80 0.84 -0.51 0.04 9.65 -0.27 -3.04 114.38 121.90 3hq4 h ARG 20 Ca 0.39 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 3hq4 h ARG 20 Cb 0.33 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 3hq4 h ARG 20 CO -0.23 0.97 0.34 0.82 2.80 0.00 0.00 179.97 184.66 3hq4 h ILE 21 N 0.67 0.97 -0.11 1.20 2.04 -0.68 -1.28 117.51 120.32 3hq4 h ILE 21 Ca 0.11 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3hq4 h ILE 21 Cb 0.67 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3hq4 h ILE 21 CO 0.05 0.08 0.34 1.56 0.00 0.00 0.00 178.15 180.17 3hq4 h GLN 22 N 0.43 0.00 -0.07 2.37 1.08 -1.36 -1.90 115.11 115.66 3hq4 h GLN 22 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3hq4 h GLN 22 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hq4 h GLN 22 CO -0.06 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.21 3hq4 n GLU 23 N -3.15 0.85 -4.02 1.46 1.02 -0.49 -4.89 120.64 111.41 3hq4 n GLU 23 Ca 0.00 -1.26 -0.33 0.00 -0.02 0.00 0.00 57.16 55.55 3hq4 n GLU 23 Cb 0.42 -1.20 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 3hq4 n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hq4 s VAL 24 N -0.87 2.43 0.37 2.62 1.01 -0.72 -5.09 120.40 120.15 3hq4 s VAL 24 Ca 0.13 -1.45 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 3hq4 s VAL 24 Cb 0.09 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3hq4 s VAL 24 CO 0.13 0.03 1.17 -1.61 0.00 0.00 0.00 175.10 174.82 3hq4 s GLU 25 N 1.18 4.20 0.00 2.72 0.41 -1.26 -3.16 118.70 122.78 3hq4 s GLU 25 Ca -0.06 1.87 0.00 0.00 -0.41 0.00 0.00 54.97 56.38 3hq4 s GLU 25 Cb -0.19 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 3hq4 s GLU 25 CO -0.05 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 3hq4 n GLY 26 N 0.73 0.15 3.34 -1.39 0.00 -1.26 -5.07 105.19 101.69 3hq4 n GLY 26 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3hq4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq4 s LEU 27 N 0.00 2.22 -0.10 0.99 1.02 -1.19 -0.89 118.68 120.73 3hq4 s LEU 27 Ca 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 54.13 53.69 3hq4 s LEU 27 Cb 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 46.19 44.86 3hq4 s LEU 27 CO 0.00 0.31 0.22 -0.70 0.02 0.00 0.00 176.35 176.19 3hq4 s GLU 28 N -0.52 0.14 -0.36 1.70 2.12 -0.20 -4.86 118.70 116.72 3hq4 s GLU 28 Ca 0.07 0.57 -0.23 0.00 0.36 0.00 0.00 54.97 55.73 3hq4 s GLU 28 Cb -0.11 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.15 3hq4 s GLU 28 CO 0.00 -0.22 0.78 0.08 -0.54 0.00 0.00 175.26 175.36 3hq4 s VAL 29 N 1.73 4.75 -0.14 3.70 1.01 -1.26 0.11 120.40 130.30 3hq4 s VAL 29 Ca -0.04 0.91 0.21 0.00 0.00 0.00 0.00 61.98 63.05 3hq4 s VAL 29 Cb -0.11 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 31.76 3hq4 s VAL 29 CO -0.08 -0.41 0.50 1.33 0.00 0.00 0.00 175.10 176.45 3hq4 n VAL 30 N 5.75 0.00 -3.69 2.92 0.24 0.47 -4.79 118.33 119.23 3hq4 n VAL 30 Ca 0.03 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 3hq4 n VAL 30 Cb 0.48 0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.93 3hq4 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hq4 s ALA 31 N -3.37 -0.99 0.02 2.33 0.00 -1.22 -1.25 121.76 117.27 3hq4 s ALA 31 Ca -0.06 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.34 3hq4 s ALA 31 Cb 0.13 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 3hq4 s ALA 31 CO 0.86 -0.38 -0.16 0.08 0.00 0.00 0.00 175.76 176.16 3hq4 s VAL 32 N -1.99 1.24 0.01 0.00 1.01 0.10 -1.64 120.40 119.12 3hq4 s VAL 32 Ca -0.08 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3hq4 s VAL 32 Cb -0.02 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3hq4 s VAL 32 CO 0.01 0.19 -0.17 0.21 0.00 0.00 0.00 175.10 175.34 3hq4 s ASN 33 N -0.79 1.98 0.00 3.32 2.47 0.24 -2.25 114.94 119.90 3hq4 s ASN 33 Ca 0.04 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 52.96 3hq4 s ASN 33 Cb -0.07 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.54 3hq4 s ASN 33 CO 0.01 0.16 0.00 -0.67 -3.72 0.00 0.00 177.10 172.88 3hq4 n ASP 34 N 2.37 0.00 -0.79 -4.21 2.03 -1.04 -0.19 116.55 114.72 3hq4 n ASP 34 Ca -0.16 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.21 3hq4 n ASP 34 Cb 0.54 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.08 3hq4 n ASP 34 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hq4 n LEU 35 N 0.00 2.04 0.00 -2.67 4.77 -1.26 -3.34 117.00 116.54 3hq4 n LEU 35 Ca 0.00 -3.12 -0.16 0.00 -0.03 0.00 0.00 56.01 52.70 3hq4 n LEU 35 Cb 0.00 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3hq4 n LEU 35 CO 0.00 1.01 -0.07 1.07 -1.33 0.00 0.00 177.39 178.07 3hq4 n THR 36 N -0.64 0.00 -3.14 -5.08 5.66 -1.26 -5.08 114.28 104.74 3hq4 n THR 36 Ca 0.14 -2.02 -0.19 0.00 -3.05 0.00 0.00 64.05 58.94 3hq4 n THR 36 Cb 0.81 1.02 0.02 0.00 -1.55 0.00 0.00 70.33 70.63 3hq4 n THR 36 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3hq4 s ASP 37 N -2.95 5.36 0.22 1.09 1.47 -1.26 -4.71 116.67 115.89 3hq4 s ASP 37 Ca 0.33 -0.63 -0.05 0.00 1.18 0.00 0.00 52.55 53.38 3hq4 s ASP 37 Cb 0.01 -0.33 0.20 0.00 -0.34 0.00 0.00 42.92 42.47 3hq4 s ASP 37 CO 0.23 -0.92 1.70 0.44 0.68 0.00 0.00 175.17 177.30 3hq4 h ASP 38 N 0.58 0.90 -0.68 2.11 3.32 -1.98 -1.69 116.42 118.97 3hq4 h ASP 38 Ca -0.37 -0.24 0.14 0.00 0.02 0.00 0.00 57.03 56.58 3hq4 h ASP 38 Cb 1.28 -0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.49 3hq4 h ASP 38 CO 0.46 0.97 0.16 -0.78 -1.72 0.00 0.00 179.24 178.33 3hq4 h ASP 39 N 0.86 0.01 -0.11 6.45 3.58 -1.96 -0.54 116.42 124.70 3hq4 h ASP 39 Ca 0.16 0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.65 3hq4 h ASP 39 Cb 0.52 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.75 3hq4 h ASP 39 CO 0.03 -0.02 -0.30 -0.03 -2.88 0.00 0.00 179.24 176.04 3hq4 h MET 40 N 0.27 0.40 -0.41 0.28 4.05 -1.87 -2.56 114.93 115.09 3hq4 h MET 40 Ca 0.37 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3hq4 h MET 40 Cb 0.61 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 3hq4 h MET 40 CO -0.47 0.90 0.27 -0.07 0.23 0.00 0.00 176.91 177.76 3hq4 h LEU 41 N -0.03 0.46 -0.81 3.39 3.38 -0.99 -1.95 115.31 118.76 3hq4 h LEU 41 Ca -0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3hq4 h LEU 41 Cb 0.91 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3hq4 h LEU 41 CO 0.06 0.33 -0.17 0.00 0.09 0.00 0.00 178.44 178.76 3hq4 h ALA 42 N 1.16 0.99 -0.40 1.53 0.00 -1.17 -2.33 119.26 119.02 3hq4 h ALA 42 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hq4 h ALA 42 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hq4 h ALA 42 CO -0.04 0.60 0.05 1.25 0.00 0.00 0.00 179.25 181.11 3hq4 h HIS 43 N 0.63 0.72 0.00 0.00 -0.00 -1.18 -1.53 115.15 113.79 3hq4 h HIS 43 Ca 0.10 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 3hq4 h HIS 43 Cb 0.64 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3hq4 h HIS 43 CO 0.03 0.72 -0.42 -0.07 -0.00 0.00 0.00 177.93 178.18 3hq4 h LEU 44 N 0.52 0.00 0.09 0.26 3.38 -1.26 -1.44 115.31 116.85 3hq4 h LEU 44 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hq4 h LEU 44 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hq4 h LEU 44 CO 0.01 0.42 -0.04 0.25 0.09 0.00 0.00 178.44 179.17 3hq4 h LEU 45 N 0.00 -0.10 -0.84 1.67 5.85 -1.30 -3.33 115.31 117.26 3hq4 h LEU 45 Ca -0.00 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 3hq4 h LEU 45 Cb 1.09 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3hq4 h LEU 45 CO 0.06 0.20 0.14 0.11 -0.34 0.00 0.00 178.44 178.60 3hq4 h LYS 46 N -0.41 1.01 -6.11 1.25 1.57 -1.05 -3.37 116.57 109.45 3hq4 h LYS 46 Ca -0.01 -0.24 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 3hq4 h LYS 46 Cb 0.34 -0.14 -0.31 0.00 0.08 0.00 0.00 32.23 32.21 3hq4 h LYS 46 CO 0.02 0.90 -0.88 0.71 -0.57 0.00 0.00 179.45 179.64 3hq4 s TYR 47 N -5.23 2.26 -0.24 -1.35 2.02 -0.56 -1.23 117.35 113.01 3hq4 s TYR 47 Ca -0.11 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 3hq4 s TYR 47 Cb 0.15 -1.48 0.13 0.00 -0.40 0.00 0.00 41.96 40.36 3hq4 s TYR 47 CO 0.83 -0.14 0.45 0.34 -1.57 0.00 0.00 175.55 175.46 3hq4 s ASP 48 N -0.31 -0.27 0.15 2.29 -1.08 -1.25 -4.54 116.67 111.65 3hq4 s ASP 48 Ca 0.02 0.65 -0.24 0.00 -0.52 0.00 0.00 52.55 52.45 3hq4 s ASP 48 Cb -0.12 1.44 0.01 0.00 -1.46 0.00 0.00 42.92 42.80 3hq4 s ASP 48 CO 0.02 -0.27 1.61 0.74 0.52 0.00 0.00 175.17 177.79 3hq4 h THR 49 N 6.14 0.29 0.00 1.71 2.02 -1.95 -0.82 112.91 120.28 3hq4 h THR 49 Ca -0.19 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.67 3hq4 h THR 49 Cb 1.14 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 3hq4 h THR 49 CO 0.22 0.00 -2.18 0.23 0.37 0.00 0.00 175.52 174.16 3hq4 n MET 50 N -5.41 0.67 0.00 6.66 2.81 -1.26 -4.40 117.12 116.20 3hq4 n MET 50 Ca -0.01 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.05 3hq4 n MET 50 Cb 0.32 -1.59 0.10 0.00 -0.71 0.00 0.00 33.22 31.34 3hq4 n MET 50 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hq4 n GLN 51 N -2.79 0.17 0.00 0.03 1.13 -1.20 -4.92 117.38 109.79 3hq4 n GLN 51 Ca -0.27 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 3hq4 n GLN 51 Cb 1.09 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.94 3hq4 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hq4 n GLY 52 N 1.48 -0.41 3.77 1.08 0.00 -0.32 -4.96 105.19 105.83 3hq4 n GLY 52 Ca 0.06 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3hq4 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq4 s ARG 53 N -1.60 4.16 0.31 1.61 0.52 -1.26 -3.83 118.95 118.85 3hq4 s ARG 53 Ca 0.00 2.10 -0.30 0.00 -0.52 0.00 0.00 55.73 57.01 3hq4 s ARG 53 Cb 0.00 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.48 3hq4 s ARG 53 CO 0.00 -0.31 1.59 0.12 0.02 0.00 0.00 175.30 176.72 3hq4 s PHE 54 N -1.24 2.70 0.01 -0.53 5.36 -0.37 -4.96 117.98 118.95 3hq4 s PHE 54 Ca 0.53 0.81 -0.21 0.00 -0.96 0.00 0.00 56.93 57.10 3hq4 s PHE 54 Cb -0.37 -4.09 -0.12 0.00 -0.34 0.00 0.00 43.02 38.10 3hq4 s PHE 54 CO 0.48 -3.60 1.04 1.79 -1.46 0.00 0.00 175.22 173.46 3hq4 h THR 55 N 3.32 0.00 -0.04 0.12 1.35 -1.93 -3.46 112.91 112.26 3hq4 h THR 55 Ca -0.48 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3hq4 h THR 55 Cb 1.22 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3hq4 h THR 55 CO 0.77 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3hq4 n GLY 56 N -0.57 -2.59 3.49 5.82 0.00 -1.26 -5.03 105.19 105.04 3hq4 n GLY 56 Ca -0.10 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3hq4 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hq4 s GLU 57 N -0.13 2.30 -0.05 1.61 8.01 -1.26 -5.02 118.70 124.16 3hq4 s GLU 57 Ca 0.00 -0.84 0.03 0.00 0.01 0.00 0.00 54.97 54.16 3hq4 s GLU 57 Cb 0.00 -2.30 0.01 0.00 -4.31 0.00 0.00 34.13 27.52 3hq4 s GLU 57 CO 0.00 0.58 -0.12 0.08 0.01 0.00 0.00 175.26 175.81 3hq4 s VAL 58 N -0.88 1.04 -0.04 2.63 1.01 -1.26 -2.22 120.40 120.68 3hq4 s VAL 58 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3hq4 s VAL 58 Cb -0.11 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3hq4 s VAL 58 CO 0.04 0.32 0.08 -0.70 0.00 0.00 0.00 175.10 174.84 3hq4 s GLU 59 N 0.40 -0.01 0.26 2.72 2.12 -0.43 -4.99 118.70 118.77 3hq4 s GLU 59 Ca -0.08 0.31 -0.31 0.00 0.36 0.00 0.00 54.97 55.25 3hq4 s GLU 59 Cb -0.12 -0.29 -0.11 0.00 0.26 0.00 0.00 34.13 33.86 3hq4 s GLU 59 CO 0.02 -0.22 1.63 0.08 -0.54 0.00 0.00 175.26 176.23 3hq4 s VAL 60 N 1.46 2.11 0.37 3.70 1.01 -1.26 0.28 120.40 128.07 3hq4 s VAL 60 Ca -0.05 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3hq4 s VAL 60 Cb -0.12 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3hq4 s VAL 60 CO -0.04 0.01 0.20 1.33 0.00 0.00 0.00 175.10 176.60 3hq4 n VAL 61 N 2.82 0.00 0.07 2.92 0.24 -0.58 -4.83 118.33 118.97 3hq4 n VAL 61 Ca 0.11 -2.37 -0.12 0.00 -2.04 0.00 0.00 64.34 59.92 3hq4 n VAL 61 Cb 0.37 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.68 3hq4 n VAL 61 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3hq4 h ASP 62 N 1.78 -0.28 -0.31 -1.34 3.58 -1.99 -2.74 116.42 115.12 3hq4 h ASP 62 Ca -0.28 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.21 3hq4 h ASP 62 Cb 1.19 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.35 3hq4 h ASP 62 CO 0.43 -0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.25 3hq4 n GLY 63 N -1.22 0.60 0.00 -0.78 0.00 -1.26 -4.98 105.19 97.55 3hq4 n GLY 63 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3hq4 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hq4 n GLY 64 N 1.10 -0.29 3.34 -0.02 0.00 -1.03 -1.56 105.19 106.72 3hq4 n GLY 64 Ca 0.13 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3hq4 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hq4 s PHE 65 N 0.00 -0.34 -0.20 1.61 -0.71 -0.81 -1.53 117.98 116.00 3hq4 s PHE 65 Ca 0.00 0.53 -0.08 0.00 -1.04 0.00 0.00 56.93 56.34 3hq4 s PHE 65 Cb 0.00 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 3hq4 s PHE 65 CO 0.00 -0.48 0.08 0.50 -1.34 0.00 0.00 175.22 173.98 3hq4 s ARG 66 N -1.42 3.97 -0.21 1.99 3.52 0.14 -0.59 118.95 126.36 3hq4 s ARG 66 Ca -0.12 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 3hq4 s ARG 66 Cb -0.03 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3hq4 s ARG 66 CO 0.05 0.20 -0.15 0.08 -0.81 0.00 0.00 175.30 174.68 3hq4 s VAL 67 N 0.59 2.00 -1.26 7.11 1.01 0.83 -1.31 120.40 129.37 3hq4 s VAL 67 Ca 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 3hq4 s VAL 67 Cb -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3hq4 s VAL 67 CO 0.01 0.25 0.75 0.59 0.00 0.00 0.00 175.10 176.71 3hq4 n ASN 68 N 4.57 -2.05 0.00 3.32 5.03 -0.94 -1.49 115.26 123.69 3hq4 n ASN 68 Ca -0.17 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.47 3hq4 n ASN 68 Cb 0.46 -4.19 0.00 0.00 -1.02 0.00 0.00 39.78 35.03 3hq4 n ASN 68 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hq4 n GLY 69 N -1.51 2.15 3.81 7.41 0.00 -1.26 -4.99 105.19 110.80 3hq4 n GLY 69 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3hq4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hq4 s LYS 70 N 0.00 4.06 -0.02 1.61 1.02 -0.56 -5.05 119.74 120.80 3hq4 s LYS 70 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 3hq4 s LYS 70 Cb 0.00 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 3hq4 s LYS 70 CO 0.00 0.58 1.00 -2.00 -0.92 0.00 0.00 175.35 174.01 3hq4 s GLU 71 N -0.76 4.52 -0.16 1.68 2.12 -1.26 -0.12 118.70 124.72 3hq4 s GLU 71 Ca 0.25 1.43 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 3hq4 s GLU 71 Cb -0.17 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 3hq4 s GLU 71 CO 0.14 -0.12 -0.03 0.08 -0.54 0.00 0.00 175.26 174.78 3hq4 s VAL 72 N 1.26 3.94 0.24 3.70 1.01 0.24 -4.88 120.40 125.91 3hq4 s VAL 72 Ca 0.51 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3hq4 s VAL 72 Cb -0.21 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 3hq4 s VAL 72 CO 0.26 0.49 0.90 -0.54 0.00 0.00 0.00 175.10 176.21 3hq4 s LYS 73 N 0.34 4.71 0.18 2.72 -0.14 -0.38 -1.93 119.74 125.24 3hq4 s LYS 73 Ca -0.04 1.35 0.09 0.00 -1.36 0.00 0.00 55.97 56.02 3hq4 s LYS 73 Cb -0.14 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 3hq4 s LYS 73 CO 0.03 0.47 -0.20 -1.54 -0.76 0.00 0.00 175.35 173.35 3hq4 s SER 74 N -1.29 2.94 0.11 2.83 1.04 -0.60 -0.73 113.70 117.99 3hq4 s SER 74 Ca 0.42 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 3hq4 s SER 74 Cb -0.23 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 3hq4 s SER 74 CO 0.28 0.00 0.15 -0.36 0.98 0.00 0.00 173.24 174.30 3hq4 s PHE 75 N -2.03 0.38 -0.41 5.02 0.40 -0.95 -4.74 117.98 115.65 3hq4 s PHE 75 Ca 0.18 -0.81 0.07 0.00 -0.60 0.00 0.00 56.93 55.78 3hq4 s PHE 75 Cb -0.06 -0.18 0.24 0.00 0.51 0.00 0.00 43.02 43.53 3hq4 s PHE 75 CO 0.08 -0.55 0.55 -1.13 0.70 0.00 0.00 175.22 174.87 3hq4 n SER 76 N -0.07 -0.30 -4.07 1.36 3.41 -1.25 -2.49 113.62 110.21 3hq4 n SER 76 Ca -0.12 -2.74 -0.32 0.00 -0.26 0.00 0.00 58.87 55.43 3hq4 n SER 76 Cb 0.62 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 3hq4 n SER 76 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hq4 s GLU 77 N -0.83 2.01 0.63 4.33 2.56 -1.21 -4.87 118.70 121.31 3hq4 s GLU 77 Ca 0.34 -1.53 0.41 0.00 0.00 0.00 0.00 54.97 54.20 3hq4 s GLU 77 Cb 0.17 -3.04 2.12 0.00 2.00 0.00 0.00 34.13 35.37 3hq4 s GLU 77 CO -0.13 -0.71 2.26 -1.00 -0.56 0.00 0.00 175.26 175.12 3hq4 h PRO 78 N 7.75 0.00 -4.45 4.30 0.13 -1.98 -3.39 132.00 134.35 3hq4 h PRO 78 Ca -0.14 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.27 3hq4 h PRO 78 Cb 1.04 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.91 3hq4 h PRO 78 CO 0.49 0.00 -0.45 0.34 -0.23 0.00 0.00 178.00 178.16 3hq4 s ASP 79 N -5.35 5.78 0.38 1.44 2.15 -1.26 -4.96 116.67 114.85 3hq4 s ASP 79 Ca -0.03 -1.34 0.14 0.00 0.43 0.00 0.00 52.55 51.75 3hq4 s ASP 79 Cb 0.12 -2.04 0.97 0.00 -0.30 0.00 0.00 42.92 41.67 3hq4 s ASP 79 CO 0.45 -0.53 1.81 0.00 -0.17 0.00 0.00 175.17 176.74 3hq4 h ALA 80 N 8.50 2.04 0.00 3.66 0.00 -1.95 -1.76 119.26 129.75 3hq4 h ALA 80 Ca -0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hq4 h ALA 80 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hq4 h ALA 80 CO 0.76 -0.37 0.04 -1.13 0.00 0.00 0.00 179.25 178.55 3hq4 n SER 81 N -4.61 0.41 -0.80 0.00 3.41 -1.26 -1.90 113.62 108.87 3hq4 n SER 81 Ca 0.22 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.63 3hq4 n SER 81 Cb 0.69 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 64.07 3hq4 n SER 81 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hq4 n LYS 82 N -2.06 2.02 -2.32 4.33 4.76 -0.66 -4.48 118.16 119.75 3hq4 n LYS 82 Ca -0.01 -1.61 -0.39 0.00 -2.87 0.00 0.00 58.31 53.43 3hq4 n LYS 82 Cb 0.06 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 3hq4 n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hq4 s LEU 83 N -2.09 4.27 -0.50 -0.35 1.43 -0.80 -4.89 118.68 115.75 3hq4 s LEU 83 Ca 0.28 2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 55.67 3hq4 s LEU 83 Cb 0.20 -3.93 -0.17 0.00 0.03 0.00 0.00 46.19 42.32 3hq4 s LEU 83 CO 0.36 -0.56 3.32 -0.81 0.23 0.00 0.00 176.35 178.88 3hq4 n PRO 84 N 0.32 2.57 -0.03 1.29 -0.04 -1.26 -4.53 135.00 133.32 3hq4 n PRO 84 Ca 0.03 -1.56 -0.01 0.00 -0.04 0.00 0.00 63.50 61.92 3hq4 n PRO 84 Cb 0.46 -2.23 0.26 0.00 -0.04 0.00 0.00 33.50 31.94 3hq4 n PRO 84 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hq4 h TRP 85 N 3.54 0.62 -0.08 0.54 -0.00 -1.89 -2.44 115.95 116.24 3hq4 h TRP 85 Ca 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 59.21 3hq4 h TRP 85 Cb 1.08 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 30.06 3hq4 h TRP 85 CO 1.77 0.60 0.03 -0.22 -0.00 0.00 0.00 178.44 180.62 3hq4 h LYS 86 N 0.56 0.11 0.00 0.49 3.64 -1.46 -2.16 116.57 117.76 3hq4 h LYS 86 Ca 0.12 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3hq4 h LYS 86 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3hq4 h LYS 86 CO 0.01 0.26 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.70 3hq4 h ASP 87 N -0.06 0.00 0.64 4.20 3.32 -1.86 -2.45 116.42 120.21 3hq4 h ASP 87 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hq4 h ASP 87 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hq4 h ASP 87 CO -0.00 0.31 -0.08 0.18 -1.72 0.00 0.00 179.24 177.93 3hq4 n LEU 88 N -3.44 0.18 -3.57 1.55 4.77 -0.93 -4.96 117.00 110.61 3hq4 n LEU 88 Ca 0.00 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 3hq4 n LEU 88 Cb 0.49 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 3hq4 n LEU 88 CO 0.35 0.04 0.18 0.59 -1.33 0.00 0.00 177.39 177.22 3hq4 n ASN 89 N -1.28 -4.61 -4.72 -1.43 5.03 -0.93 -4.93 115.26 102.39 3hq4 n ASN 89 Ca 0.11 -0.60 -0.42 0.00 0.87 0.00 0.00 54.58 54.55 3hq4 n ASN 89 Cb 0.29 -4.94 -0.03 0.00 -1.02 0.00 0.00 39.78 34.08 3hq4 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hq4 s ILE 90 N -3.35 3.27 -0.16 2.41 -1.09 -0.86 -4.79 121.20 116.63 3hq4 s ILE 90 Ca 0.37 0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 59.52 3hq4 s ILE 90 Cb -0.17 -3.59 -0.17 0.00 -1.58 0.00 0.00 42.46 36.95 3hq4 s ILE 90 CO 0.74 0.08 0.31 0.44 -1.23 0.00 0.00 174.94 175.28 3hq4 h ASP 91 N 6.68 0.00 -3.87 3.58 3.32 -1.43 -2.96 116.42 121.74 3hq4 h ASP 91 Ca -0.42 -0.54 -0.37 0.00 0.02 0.00 0.00 57.03 55.71 3hq4 h ASP 91 Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 3hq4 h ASP 91 CO 0.86 1.11 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.03 3hq4 s VAL 92 N -2.20 0.58 -0.17 -1.35 1.01 -1.06 -1.50 120.40 115.72 3hq4 s VAL 92 Ca -0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3hq4 s VAL 92 Cb 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hq4 s VAL 92 CO 0.50 0.18 0.32 -0.69 0.00 0.00 0.00 175.10 175.41 3hq4 s VAL 93 N 0.05 5.28 -0.48 2.92 1.01 -0.29 -1.65 120.40 127.25 3hq4 s VAL 93 Ca -0.00 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 3hq4 s VAL 93 Cb -0.05 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3hq4 s VAL 93 CO -0.00 0.36 0.94 -0.76 0.00 0.00 0.00 175.10 175.64 3hq4 s LEU 94 N 0.64 4.00 -0.55 3.92 1.43 0.31 -0.19 118.68 128.24 3hq4 s LEU 94 Ca 0.17 0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 3hq4 s LEU 94 Cb -0.13 -3.15 0.09 0.00 0.03 0.00 0.00 46.19 43.03 3hq4 s LEU 94 CO 0.05 -1.09 0.62 -0.70 0.23 0.00 0.00 176.35 175.46 3hq4 s GLU 95 N 3.83 3.04 -0.10 1.70 2.56 0.76 -0.73 118.70 129.77 3hq4 s GLU 95 Ca 0.37 -1.29 0.14 0.00 0.00 0.00 0.00 54.97 54.18 3hq4 s GLU 95 Cb -0.10 -4.22 0.21 0.00 2.00 0.00 0.00 34.13 32.02 3hq4 s GLU 95 CO 0.26 -1.37 1.10 0.00 -0.56 0.00 0.00 175.26 174.68 3hq4 h THR 97 N 1.00 0.88 0.00 0.00 1.35 -1.74 -3.43 112.91 110.97 3hq4 h THR 97 Ca 0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 3hq4 h THR 97 Cb 1.00 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3hq4 h THR 97 CO 0.00 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3hq4 n GLY 98 N 1.36 0.88 0.33 5.82 0.00 -1.26 -4.89 105.19 107.42 3hq4 n GLY 98 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3hq4 n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hq4 n PHE 99 N -2.00 0.10 -2.42 1.61 3.72 -1.26 -4.57 117.46 112.64 3hq4 n PHE 99 Ca 0.00 -0.17 -0.13 0.00 -0.05 0.00 0.00 57.45 57.10 3hq4 n PHE 99 Cb 0.00 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3hq4 n PHE 99 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hq4 n TYR 100 N 0.32 2.07 -1.71 1.38 4.01 -1.26 -4.96 117.16 116.99 3hq4 n TYR 100 Ca 0.05 -2.24 -0.33 0.00 -0.16 0.00 0.00 57.90 55.23 3hq4 n TYR 100 Cb 0.24 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 3hq4 n TYR 100 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hq4 n THR 101 N -0.63 4.25 -3.61 -0.72 -2.24 -1.26 -3.90 114.28 106.17 3hq4 n THR 101 Ca 0.26 -3.58 -0.16 0.00 -2.27 0.00 0.00 64.05 58.30 3hq4 n THR 101 Cb 0.88 -1.84 -0.07 0.00 -2.10 0.00 0.00 70.33 67.19 3hq4 n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hq4 s ASP 102 N 0.43 -0.50 0.24 3.42 2.15 -1.26 -2.47 116.67 118.67 3hq4 s ASP 102 Ca 0.57 0.56 -0.05 0.00 0.43 0.00 0.00 52.55 54.06 3hq4 s ASP 102 Cb 0.28 0.53 0.35 0.00 -0.30 0.00 0.00 42.92 43.79 3hq4 s ASP 102 CO -0.15 -0.52 1.84 0.50 -0.17 0.00 0.00 175.17 176.66 3hq4 h LYS 103 N 3.50 0.87 0.09 4.34 3.64 -0.63 -1.27 116.57 127.11 3hq4 h LYS 103 Ca -0.28 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 58.79 3hq4 h LYS 103 Cb 1.15 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3hq4 h LYS 103 CO 0.37 0.58 -1.15 -0.44 -2.27 0.00 0.00 179.45 176.54 3hq4 h ASP 104 N 0.90 0.47 -0.24 4.20 3.32 -1.95 -2.62 116.42 120.49 3hq4 h ASP 104 Ca 0.38 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hq4 h ASP 104 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hq4 h ASP 104 CO -0.20 1.32 0.12 0.11 -1.72 0.00 0.00 179.24 178.87 3hq4 h LYS 105 N 0.13 0.24 0.00 3.56 1.57 -1.84 -3.05 116.57 117.18 3hq4 h LYS 105 Ca -0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3hq4 h LYS 105 Cb 1.84 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 3hq4 h LYS 105 CO 0.19 0.16 -0.17 0.00 -0.57 0.00 0.00 179.45 179.06 3hq4 h ALA 106 N 1.12 1.09 0.00 3.86 0.00 -1.19 -2.52 119.26 121.62 3hq4 h ALA 106 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hq4 h ALA 106 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hq4 h ALA 106 CO -0.07 0.21 0.21 0.37 0.00 0.00 0.00 179.25 179.97 3hq4 h GLN 107 N 0.00 0.00 -0.96 0.00 5.75 -1.35 -1.50 115.11 117.05 3hq4 h GLN 107 Ca -0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.59 3hq4 h GLN 107 Cb 0.59 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.07 3hq4 h GLN 107 CO 0.02 0.00 0.60 0.00 -2.65 0.00 0.00 178.83 176.80 3hq4 h ALA 108 N 1.55 1.39 -0.23 3.38 0.00 -1.60 -0.97 119.26 122.79 3hq4 h ALA 108 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hq4 h ALA 108 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hq4 h ALA 108 CO 0.00 0.27 0.10 0.45 0.00 0.00 0.00 179.25 180.08 3hq4 h HIS 109 N 1.01 0.30 -0.01 0.00 3.86 -1.52 -1.01 115.15 117.79 3hq4 h HIS 109 Ca 0.45 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.48 3hq4 h HIS 109 Cb 0.35 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.73 3hq4 h HIS 109 CO -0.02 0.24 -0.72 0.82 0.86 0.00 0.00 177.93 179.11 3hq4 h ILE 110 N 0.32 1.39 0.00 2.45 1.08 -1.38 -1.27 117.51 120.10 3hq4 h ILE 110 Ca 0.08 -2.11 -0.04 0.00 -0.39 0.00 0.00 64.86 62.40 3hq4 h ILE 110 Cb 0.05 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 3hq4 h ILE 110 CO -0.01 0.63 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.57 3hq4 h GLU 111 N 0.04 0.00 0.00 2.37 5.08 -1.02 -1.34 114.58 119.71 3hq4 h GLU 111 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hq4 h GLU 111 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3hq4 h GLU 111 CO 0.14 0.18 -0.10 0.00 -1.00 0.00 0.00 179.01 178.23 3hq4 h ALA 112 N 1.82 0.94 0.00 3.43 0.00 -0.87 -3.47 119.26 121.11 3hq4 h ALA 112 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hq4 h ALA 112 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hq4 h ALA 112 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3hq4 n GLY 113 N 1.27 0.04 3.78 0.00 0.00 -0.51 -1.61 105.19 108.18 3hq4 n GLY 113 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3hq4 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 s ALA 114 N -0.99 2.72 0.02 4.61 0.00 -0.55 -4.17 121.76 123.40 3hq4 s ALA 114 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 3hq4 s ALA 114 Cb 0.00 -3.30 -0.28 0.00 0.00 0.00 0.00 23.12 19.54 3hq4 s ALA 114 CO 0.00 -0.71 0.91 0.87 0.00 0.00 0.00 175.76 176.84 3hq4 h LYS 115 N 1.03 0.25 -3.70 0.00 1.57 -1.33 -3.39 116.57 110.99 3hq4 h LYS 115 Ca -0.49 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 57.77 3hq4 h LYS 115 Cb 1.24 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 33.57 3hq4 h LYS 115 CO 0.57 1.13 -0.34 0.15 -0.57 0.00 0.00 179.45 180.39 3hq4 s LYS 116 N -2.62 0.83 -0.06 3.15 1.02 -0.56 -4.83 119.74 116.67 3hq4 s LYS 116 Ca -0.08 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.08 3hq4 s LYS 116 Cb 0.07 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.73 3hq4 s LYS 116 CO 0.86 -0.27 -0.12 0.08 -0.92 0.00 0.00 175.35 174.98 3hq4 s VAL 117 N -3.55 1.11 -0.18 3.17 1.01 0.15 -1.13 120.40 120.97 3hq4 s VAL 117 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3hq4 s VAL 117 Cb 0.03 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3hq4 s VAL 117 CO -0.09 0.35 -0.18 -0.22 0.00 0.00 0.00 175.10 174.95 3hq4 s LEU 118 N 0.63 2.17 -0.17 3.92 2.96 0.73 -0.67 118.68 128.25 3hq4 s LEU 118 Ca -0.14 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.93 3hq4 s LEU 118 Cb -0.15 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3hq4 s LEU 118 CO 0.03 -0.02 0.37 -0.63 -1.32 0.00 0.00 176.35 174.79 3hq4 s ILE 119 N 1.30 5.24 0.00 6.68 1.01 0.51 -0.17 121.20 135.77 3hq4 s ILE 119 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3hq4 s ILE 119 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3hq4 s ILE 119 CO -0.12 0.31 1.19 -1.54 0.00 0.00 0.00 174.94 174.79 3hq4 n SER 120 N 4.01 3.31 -3.80 3.58 3.41 -0.22 -0.48 113.62 123.44 3hq4 n SER 120 Ca -0.09 -1.85 -0.05 0.00 -0.26 0.00 0.00 58.87 56.62 3hq4 n SER 120 Cb 0.51 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 3hq4 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hq4 s ALA 121 N 0.34 -1.49 0.58 7.33 0.00 -1.22 -4.91 121.76 122.39 3hq4 s ALA 121 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 3hq4 s ALA 121 Cb 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3hq4 s ALA 121 CO 0.00 -1.04 1.10 -2.30 0.00 0.00 0.00 175.76 173.52 3hq4 n PRO 122 N -0.47 1.12 -3.80 0.00 -0.02 -1.22 -4.03 135.00 126.59 3hq4 n PRO 122 Ca -0.05 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 3hq4 n PRO 122 Cb 0.60 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 3hq4 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hq4 s ALA 123 N -1.43 -0.57 0.42 3.55 0.00 -1.26 -4.84 121.76 117.62 3hq4 s ALA 123 Ca 0.75 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 3hq4 s ALA 123 Cb -0.42 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 3hq4 s ALA 123 CO 0.47 -0.12 0.92 0.95 0.00 0.00 0.00 175.76 177.97 3hq4 s THR 124 N -0.02 4.45 0.00 0.00 -4.23 -1.03 -4.91 115.64 109.90 3hq4 s THR 124 Ca -0.01 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 3hq4 s THR 124 Cb -0.02 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.21 3hq4 s THR 124 CO 0.01 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 3hq4 n GLY 125 N -0.67 -0.55 3.48 3.99 0.00 -1.26 0.11 105.19 110.29 3hq4 n GLY 125 Ca 0.06 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 3hq4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hq4 s ASP 126 N -4.00 6.89 0.17 1.61 3.68 -1.26 -4.90 116.67 118.85 3hq4 s ASP 126 Ca 0.00 -2.57 -0.15 0.00 2.13 0.00 0.00 52.55 51.96 3hq4 s ASP 126 Cb 0.00 -2.43 0.02 0.00 -1.45 0.00 0.00 42.92 39.06 3hq4 s ASP 126 CO 0.00 -0.94 0.44 -1.48 0.13 0.00 0.00 175.17 173.32 3hq4 s LEU 127 N 2.44 0.35 -0.05 -1.34 0.05 -1.26 -4.99 118.68 113.87 3hq4 s LEU 127 Ca 0.42 -0.50 -0.20 0.00 0.05 0.00 0.00 54.13 53.90 3hq4 s LEU 127 Cb -0.02 1.87 -0.05 0.00 -2.05 0.00 0.00 46.19 45.94 3hq4 s LEU 127 CO -0.02 -0.96 0.57 -0.54 -0.55 0.00 0.00 176.35 174.84 3hq4 s LYS 128 N -3.87 4.32 -0.31 1.48 1.02 -1.26 -4.96 119.74 116.16 3hq4 s LYS 128 Ca 0.09 0.65 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 3hq4 s LYS 128 Cb 0.01 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3hq4 s LYS 128 CO -0.05 0.26 0.19 0.99 -0.92 0.00 0.00 175.35 175.83 3hq4 s THR 129 N 0.20 5.04 -0.09 2.17 2.01 -1.26 -0.95 115.64 122.76 3hq4 s THR 129 Ca 0.30 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3hq4 s THR 129 Cb -0.17 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.82 3hq4 s THR 129 CO 0.15 0.09 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.40 3hq4 s ILE 130 N 1.69 1.35 -0.25 1.82 -1.09 -0.14 -4.50 121.20 120.07 3hq4 s ILE 130 Ca 0.06 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 3hq4 s ILE 130 Cb -0.17 -1.24 0.01 0.00 -1.58 0.00 0.00 42.46 39.49 3hq4 s ILE 130 CO 0.09 0.41 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.50 3hq4 s VAL 131 N 0.93 3.27 0.34 2.92 1.01 -1.26 -3.92 120.40 123.69 3hq4 s VAL 131 Ca -0.09 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3hq4 s VAL 131 Cb -0.15 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.49 3hq4 s VAL 131 CO -0.00 0.22 1.53 0.33 0.00 0.00 0.00 175.10 177.18 3hq4 n PHE 132 N 4.75 2.92 -0.84 5.22 -0.00 -1.26 -1.77 117.46 126.48 3hq4 n PHE 132 Ca -0.16 0.37 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 3hq4 n PHE 132 Cb 0.48 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 3hq4 n PHE 132 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3hq4 n ASN 133 N 1.17 -1.78 -0.08 -2.13 3.02 -1.26 -4.77 115.26 109.43 3hq4 n ASN 133 Ca 0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.44 3hq4 n ASN 133 Cb 0.38 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 37.88 3hq4 n ASN 133 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hq4 n THR 134 N -2.19 0.88 -2.09 3.41 -1.04 -0.73 -4.95 114.28 107.58 3hq4 n THR 134 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3hq4 n THR 134 Cb 0.10 -1.51 -0.00 0.00 -1.82 0.00 0.00 70.33 67.10 3hq4 n THR 134 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hq4 n ASN 135 N -3.49 0.09 0.26 8.00 6.94 -0.83 -4.88 115.26 121.34 3hq4 n ASN 135 Ca -0.30 -1.75 0.13 0.00 -0.02 0.00 0.00 54.58 52.63 3hq4 n ASN 135 Cb 0.74 -0.12 0.67 0.00 -2.36 0.00 0.00 39.78 38.71 3hq4 n ASN 135 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3hq4 h HIS 136 N 0.18 0.00 0.00 -2.53 2.07 -1.92 -1.23 115.15 111.73 3hq4 h HIS 136 Ca -0.10 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 3hq4 h HIS 136 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 3hq4 h HIS 136 CO -0.01 0.14 0.39 0.37 -3.07 0.00 0.00 177.93 175.75 3hq4 h GLN 137 N 0.00 0.00 -0.00 5.12 5.75 -1.93 0.18 115.11 124.23 3hq4 h GLN 137 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hq4 h GLN 137 Cb 0.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3hq4 h GLN 137 CO 0.02 0.00 -0.04 0.39 -2.65 0.00 0.00 178.83 176.54 3hq4 n GLU 138 N -2.37 0.30 -2.87 1.69 1.02 -0.46 -4.72 120.64 113.23 3hq4 n GLU 138 Ca -0.01 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.69 3hq4 n GLU 138 Cb 0.41 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 3hq4 n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hq4 s LEU 139 N -2.72 4.55 0.00 -4.62 1.43 0.05 -4.95 118.68 112.42 3hq4 s LEU 139 Ca 0.23 1.70 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 3hq4 s LEU 139 Cb 0.20 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 43.05 3hq4 s LEU 139 CO 0.50 0.08 0.95 -0.90 0.23 0.00 0.00 176.35 177.21 3hq4 n ASP 140 N 2.17 1.97 0.00 2.29 5.68 -1.26 -4.99 116.55 122.40 3hq4 n ASP 140 Ca -0.02 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3hq4 n ASP 140 Cb 0.49 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3hq4 n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hq4 n GLY 141 N -0.22 2.91 0.00 6.12 0.00 -1.26 -4.89 105.19 107.85 3hq4 n GLY 141 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3hq4 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hq4 n SER 142 N 0.27 0.00 -4.78 1.61 3.41 -1.26 -4.88 113.62 107.99 3hq4 n SER 142 Ca 0.00 -0.33 -0.37 0.00 -0.26 0.00 0.00 58.87 57.91 3hq4 n SER 142 Cb 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 3hq4 n SER 142 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hq4 s GLU 143 N -2.34 4.29 -0.17 4.33 8.01 -1.26 -4.96 118.70 126.61 3hq4 s GLU 143 Ca 0.28 1.50 0.09 0.00 0.01 0.00 0.00 54.97 56.84 3hq4 s GLU 143 Cb 0.16 -2.65 -0.16 0.00 -4.31 0.00 0.00 34.13 27.17 3hq4 s GLU 143 CO 0.32 -0.02 -0.04 -2.37 0.01 0.00 0.00 175.26 173.16 3hq4 n THR 144 N 0.17 1.07 -3.93 3.63 5.66 -1.26 -4.86 114.28 114.75 3hq4 n THR 144 Ca 0.04 -0.56 -0.20 0.00 -3.05 0.00 0.00 64.05 60.28 3hq4 n THR 144 Cb 0.49 -0.83 -0.17 0.00 -1.55 0.00 0.00 70.33 68.28 3hq4 n THR 144 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3hq4 s VAL 145 N -2.38 0.34 0.07 1.08 1.01 -1.26 0.32 120.40 119.58 3hq4 s VAL 145 Ca -0.15 0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3hq4 s VAL 145 Cb 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3hq4 s VAL 145 CO 0.55 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 175.06 3hq4 s VAL 146 N 1.38 0.94 -0.14 2.92 1.01 0.15 -4.39 120.40 122.28 3hq4 s VAL 146 Ca -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 3hq4 s VAL 146 Cb -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3hq4 s VAL 146 CO -0.02 -0.30 -0.03 -0.55 0.00 0.00 0.00 175.10 174.20 3hq4 s SER 147 N -1.77 4.92 -0.05 3.32 0.15 -0.12 -0.36 113.70 119.79 3hq4 s SER 147 Ca -0.03 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.62 3hq4 s SER 147 Cb -0.09 -1.71 0.29 0.00 -1.71 0.00 0.00 66.02 62.80 3hq4 s SER 147 CO 0.02 0.21 1.08 0.61 1.20 0.00 0.00 173.24 176.36 3hq4 n GLY 148 N 3.24 1.35 7.00 9.45 0.00 0.36 -0.97 105.19 125.63 3hq4 n GLY 148 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3hq4 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 n ALA 149 N 0.29 0.00 -2.55 4.61 0.00 -1.25 -4.70 120.51 116.90 3hq4 n ALA 149 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 3hq4 n ALA 149 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 3hq4 n ALA 149 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hq4 s SER 150 N -4.00 4.26 0.14 0.00 1.04 -1.26 -3.43 113.70 110.45 3hq4 s SER 150 Ca 0.00 -1.31 -0.14 0.00 0.48 0.00 0.00 55.95 54.98 3hq4 s SER 150 Cb 0.00 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3hq4 s SER 150 CO 0.00 -0.67 1.66 0.77 0.98 0.00 0.00 173.24 175.98 3hq4 h SER 151 N 1.40 0.70 -0.02 7.02 4.64 -1.92 -2.26 113.55 123.12 3hq4 h SER 151 Ca -0.43 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 60.56 3hq4 h SER 151 Cb 1.27 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3hq4 h SER 151 CO 0.72 0.74 -0.34 0.74 -0.87 0.00 0.00 176.83 177.82 3hq4 h THR 152 N 0.63 1.29 -0.34 2.95 2.02 -1.96 -0.86 112.91 116.65 3hq4 h THR 152 Ca 0.15 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.78 3hq4 h THR 152 Cb 0.30 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3hq4 h THR 152 CO -0.00 0.45 -0.23 0.74 0.37 0.00 0.00 175.52 176.85 3hq4 h THR 153 N 0.42 1.29 -0.51 3.16 2.02 -1.84 -1.67 112.91 115.77 3hq4 h THR 153 Ca 0.05 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 3hq4 h THR 153 Cb 0.79 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3hq4 h THR 153 CO 0.06 0.45 0.22 0.78 0.37 0.00 0.00 175.52 177.40 3hq4 h ASN 154 N 0.53 0.66 0.50 4.18 2.35 -1.06 0.24 115.58 122.99 3hq4 h ASN 154 Ca 0.07 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3hq4 h ASN 154 Cb 0.79 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3hq4 h ASN 154 CO 0.06 0.59 -0.37 0.77 -1.65 0.00 0.00 177.43 176.83 3hq4 h SER 155 N 0.73 0.00 0.13 5.81 4.64 -0.91 -3.37 113.55 120.58 3hq4 h SER 155 Ca 0.18 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.14 3hq4 h SER 155 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 3hq4 h SER 155 CO -0.02 0.37 -2.16 -0.11 -0.87 0.00 0.00 176.83 174.04 3hq4 n LEU 156 N -3.89 1.97 -0.13 5.97 7.94 -0.48 -4.52 117.00 123.85 3hq4 n LEU 156 Ca -0.01 0.11 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 3hq4 n LEU 156 Cb 0.43 -0.54 -0.01 0.00 0.53 0.00 0.00 43.42 43.83 3hq4 n LEU 156 CO 0.38 0.73 0.87 0.00 -1.11 0.00 0.00 177.39 178.26 3hq4 h ALA 157 N 0.38 0.50 -0.30 1.96 0.00 -1.16 -0.70 119.26 119.94 3hq4 h ALA 157 Ca -0.47 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 3hq4 h ALA 157 Cb 2.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3hq4 h ALA 157 CO 0.02 0.16 -0.07 -1.00 0.00 0.00 0.00 179.25 178.37 3hq4 h PRO 158 N 0.47 0.49 0.26 0.00 0.13 -1.80 0.19 132.00 131.74 3hq4 h PRO 158 Ca 0.12 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3hq4 h PRO 158 Cb 0.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.36 3hq4 h PRO 158 CO -0.00 0.57 -0.13 0.28 -0.23 0.00 0.00 178.00 178.49 3hq4 h VAL 159 N 0.46 0.78 -0.69 1.56 2.07 -1.68 -2.70 116.25 116.05 3hq4 h VAL 159 Ca 0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3hq4 h VAL 159 Cb 0.41 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3hq4 h VAL 159 CO 0.02 0.06 0.34 0.00 0.02 0.00 0.00 177.57 178.01 3hq4 h ALA 160 N 0.20 0.89 -0.97 1.67 0.00 -0.91 -1.94 119.26 118.21 3hq4 h ALA 160 Ca -0.04 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hq4 h ALA 160 Cb 0.37 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3hq4 h ALA 160 CO 0.06 0.45 0.62 -0.22 0.00 0.00 0.00 179.25 180.16 3hq4 h LYS 161 N 0.96 1.07 -0.11 0.00 3.64 -1.00 -1.54 116.57 119.59 3hq4 h LYS 161 Ca 0.24 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3hq4 h LYS 161 Cb 0.11 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3hq4 h LYS 161 CO -0.03 0.71 -0.02 0.28 -2.27 0.00 0.00 179.45 178.12 3hq4 h VAL 162 N 1.10 1.28 -0.68 2.00 2.07 -1.11 -0.51 116.25 120.40 3hq4 h VAL 162 Ca 0.43 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 67.14 3hq4 h VAL 162 Cb 0.21 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3hq4 h VAL 162 CO -0.19 0.26 0.29 -0.07 0.02 0.00 0.00 177.57 177.89 3hq4 h LEU 163 N -0.10 0.32 -0.02 2.57 3.38 -1.21 0.58 115.31 120.83 3hq4 h LEU 163 Ca 0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hq4 h LEU 163 Cb 0.42 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hq4 h LEU 163 CO 0.01 0.17 -0.04 -1.13 0.09 0.00 0.00 178.44 177.54 3hq4 h ASN 164 N 0.49 0.06 -0.52 -0.43 -1.24 -1.24 -1.64 115.58 111.06 3hq4 h ASN 164 Ca 0.35 -0.61 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3hq4 h ASN 164 Cb 0.44 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 3hq4 h ASN 164 CO -0.32 0.66 0.30 0.44 -1.29 0.00 0.00 177.43 177.22 3hq4 h ASP 165 N -0.53 0.64 0.75 1.15 3.32 -0.88 -0.93 116.42 119.94 3hq4 h ASP 165 Ca -0.00 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3hq4 h ASP 165 Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hq4 h ASP 165 CO 0.01 0.53 -1.29 0.47 -1.72 0.00 0.00 179.24 177.24 3hq4 n ASP 166 N -4.65 0.71 0.00 6.45 9.92 0.18 -4.60 116.55 124.55 3hq4 n ASP 166 Ca 0.03 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 3hq4 n ASP 166 Cb 0.07 0.60 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 3hq4 n ASP 166 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hq4 n PHE 167 N -2.68 0.00 -1.15 1.24 3.72 -0.66 -4.99 117.46 112.94 3hq4 n PHE 167 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3hq4 n PHE 167 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 3hq4 n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hq4 n GLY 168 N 0.61 -2.32 3.70 1.37 0.00 -0.35 -1.17 105.19 107.02 3hq4 n GLY 168 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3hq4 n GLY 168 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hq4 s LEU 169 N 0.00 4.29 -0.19 0.99 2.96 -1.26 0.06 118.68 125.53 3hq4 s LEU 169 Ca 0.00 1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 55.13 3hq4 s LEU 169 Cb 0.00 -3.33 -0.07 0.00 0.50 0.00 0.00 46.19 43.28 3hq4 s LEU 169 CO 0.00 -0.28 -0.27 0.52 -1.32 0.00 0.00 176.35 175.01 3hq4 n VAL 170 N 4.17 1.49 -3.83 1.68 0.31 -0.70 -4.87 118.33 116.57 3hq4 n VAL 170 Ca 0.04 0.06 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 3hq4 n VAL 170 Cb 0.50 -2.26 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 3hq4 n VAL 170 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hq4 s GLU 171 N -2.64 1.65 -0.06 5.55 -1.05 -1.18 -4.87 118.70 116.10 3hq4 s GLU 171 Ca -0.27 -0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.33 3hq4 s GLU 171 Cb 0.05 0.56 0.11 0.00 -0.44 0.00 0.00 34.13 34.41 3hq4 s GLU 171 CO 0.40 -0.75 1.00 0.20 0.95 0.00 0.00 175.26 177.06 3hq4 s GLY 172 N -2.93 -0.40 0.04 -3.83 0.00 -0.19 -1.18 107.32 98.82 3hq4 s GLY 172 Ca 0.12 1.18 0.06 0.00 0.00 0.00 0.00 44.72 46.07 3hq4 s GLY 172 CO 0.06 0.39 -0.17 1.08 0.00 0.00 0.00 173.10 174.46 3hq4 s LEU 173 N -2.40 2.16 0.02 0.66 1.43 0.32 -2.71 118.68 118.16 3hq4 s LEU 173 Ca 0.07 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3hq4 s LEU 173 Cb -0.01 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3hq4 s LEU 173 CO -0.07 0.10 -0.26 -0.32 0.23 0.00 0.00 176.35 176.03 3hq4 s MET 174 N -1.07 1.91 -0.08 1.70 -2.45 -0.12 -0.65 119.30 118.55 3hq4 s MET 174 Ca 0.04 -1.05 0.01 0.00 -1.25 0.00 0.00 55.69 53.45 3hq4 s MET 174 Cb -0.08 -2.01 0.02 0.00 1.25 0.00 0.00 34.83 34.01 3hq4 s MET 174 CO 0.01 0.53 -0.10 0.99 1.05 0.00 0.00 175.02 177.50 3hq4 s THR 175 N -0.75 1.04 -0.23 10.11 2.01 0.21 -1.70 115.64 126.33 3hq4 s THR 175 Ca 0.11 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 3hq4 s THR 175 Cb -0.10 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3hq4 s THR 175 CO 0.01 0.35 0.09 0.28 -0.69 0.00 0.00 174.62 174.65 3hq4 s THR 176 N 0.97 4.61 -0.48 -0.82 -1.32 -0.36 -1.15 115.64 117.09 3hq4 s THR 176 Ca -0.09 -0.08 -0.22 0.00 -1.21 0.00 0.00 61.69 60.10 3hq4 s THR 176 Cb -0.15 -3.14 0.03 0.00 -1.51 0.00 0.00 72.50 67.74 3hq4 s THR 176 CO 0.00 0.36 0.73 -0.63 -2.21 0.00 0.00 174.62 172.87 3hq4 s ILE 177 N 1.25 4.72 -0.06 5.08 1.09 0.19 -0.56 121.20 132.90 3hq4 s ILE 177 Ca 0.05 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.74 3hq4 s ILE 177 Cb -0.14 -4.31 -0.00 0.00 -1.06 0.00 0.00 42.46 36.94 3hq4 s ILE 177 CO 0.04 -0.76 -0.20 -2.28 -0.10 0.00 0.00 174.94 171.64 3hq4 s HIS 178 N 3.09 2.04 0.67 3.97 2.46 -0.13 -0.55 115.29 126.84 3hq4 s HIS 178 Ca 0.24 -0.67 -0.17 0.00 0.47 0.00 0.00 55.06 54.94 3hq4 s HIS 178 Cb -0.14 -1.37 -0.02 0.00 -0.13 0.00 0.00 32.58 30.92 3hq4 s HIS 178 CO 0.18 -0.24 0.98 0.00 -2.47 0.00 0.00 174.74 173.19 3hq4 n ALA 179 N 3.24 0.02 -1.78 1.58 0.00 -1.20 -1.49 120.51 120.90 3hq4 n ALA 179 Ca -0.19 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3hq4 n ALA 179 Cb 0.53 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 3hq4 n ALA 179 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3hq4 s TYR 180 N -1.65 2.74 0.40 0.00 -0.85 -0.97 -4.73 117.35 112.27 3hq4 s TYR 180 Ca 0.75 1.55 0.05 0.00 -0.52 0.00 0.00 57.07 58.90 3hq4 s TYR 180 Cb -0.38 -3.26 -0.06 0.00 0.38 0.00 0.00 41.96 38.65 3hq4 s TYR 180 CO 0.48 -1.44 0.04 0.95 -1.52 0.00 0.00 175.55 174.06 3hq4 s THR 181 N -1.79 1.42 0.54 -3.49 -4.23 -1.26 -4.72 115.64 102.10 3hq4 s THR 181 Ca 0.71 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.57 3hq4 s THR 181 Cb -0.23 -2.72 0.35 0.00 1.34 0.00 0.00 72.50 71.24 3hq4 s THR 181 CO 0.26 0.00 2.07 1.23 -0.54 0.00 0.00 174.62 177.64 3hq4 h GLY 182 N 1.83 0.00 -0.77 3.99 0.00 -1.97 -1.59 103.07 104.55 3hq4 h GLY 182 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hq4 h GLY 182 CO 0.73 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.36 3hq4 n ASP 183 N -2.86 1.68 -4.94 0.19 5.68 -1.26 -4.78 116.55 110.26 3hq4 n ASP 183 Ca -0.02 -1.66 -0.24 0.00 -0.50 0.00 0.00 54.79 52.37 3hq4 n ASP 183 Cb 0.19 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 3hq4 n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3hq4 s GLN 184 N -1.84 3.43 0.23 0.11 -0.21 -0.60 -4.95 119.66 115.82 3hq4 s GLN 184 Ca 0.34 -0.34 -0.15 0.00 0.02 0.00 0.00 55.36 55.23 3hq4 s GLN 184 Cb 0.19 -2.64 -0.08 0.00 1.00 0.00 0.00 33.01 31.48 3hq4 s GLN 184 CO 0.28 0.08 0.64 -0.80 -2.12 0.00 0.00 175.29 173.38 3hq4 s ASN 185 N -4.06 6.84 0.16 5.90 0.01 -1.12 -4.94 114.94 117.73 3hq4 s ASN 185 Ca 0.41 1.19 -0.10 0.00 -0.71 0.00 0.00 52.86 53.65 3hq4 s ASN 185 Cb -0.10 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.24 3hq4 s ASN 185 CO 0.37 -0.03 1.56 0.74 -1.51 0.00 0.00 177.10 178.23 3hq4 h THR 186 N 2.43 1.27 -3.69 1.60 2.02 -1.91 -0.99 112.91 113.64 3hq4 h THR 186 Ca -0.48 -1.32 -0.43 0.00 0.77 0.00 0.00 66.41 64.95 3hq4 h THR 186 Cb 1.18 1.08 -0.19 0.00 -1.74 0.00 0.00 68.15 68.48 3hq4 h THR 186 CO 0.66 0.46 -0.77 -1.10 0.37 0.00 0.00 175.52 175.14 3hq4 s GLN 187 N -4.75 0.99 -0.36 6.66 -1.52 -1.26 -3.99 119.66 115.44 3hq4 s GLN 187 Ca -0.12 -1.17 -0.33 0.00 -1.95 0.00 0.00 55.36 51.79 3hq4 s GLN 187 Cb 0.12 -0.95 -0.14 0.00 -0.22 0.00 0.00 33.01 31.82 3hq4 s GLN 187 CO 0.86 0.19 1.20 -0.25 -0.25 0.00 0.00 175.29 177.05 3hq4 n ASP 188 N 0.76 0.82 -3.63 5.90 8.00 -1.25 -4.33 116.55 122.81 3hq4 n ASP 188 Ca -0.17 0.80 -0.05 0.00 0.71 0.00 0.00 54.79 56.08 3hq4 n ASP 188 Cb 0.56 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3hq4 n ASP 188 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hq4 s ALA 189 N 2.44 -1.79 0.25 2.24 0.00 -0.43 -4.95 121.76 119.53 3hq4 s ALA 189 Ca 0.77 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 3hq4 s ALA 189 Cb -1.07 0.49 -0.13 0.00 0.00 0.00 0.00 23.12 22.41 3hq4 s ALA 189 CO 0.57 -0.88 1.46 -2.30 0.00 0.00 0.00 175.76 174.61 3hq4 n PRO 190 N -0.36 2.20 -3.86 0.00 -0.02 -1.26 -4.56 135.00 127.15 3hq4 n PRO 190 Ca -0.07 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 3hq4 n PRO 190 Cb 0.61 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3hq4 n PRO 190 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hq4 s HIS 191 N -0.03 3.49 0.47 6.00 2.46 -1.26 -4.96 115.29 121.45 3hq4 s HIS 191 Ca 0.67 0.41 0.20 0.00 0.47 0.00 0.00 55.06 56.82 3hq4 s HIS 191 Cb -0.61 -2.02 1.20 0.00 -0.13 0.00 0.00 32.58 31.02 3hq4 s HIS 191 CO 0.49 0.53 1.94 -0.09 -2.47 0.00 0.00 174.74 175.13 3hq4 h ARG 192 N 5.71 0.24 -0.51 2.88 2.43 -1.93 -1.59 114.38 121.61 3hq4 h ARG 192 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3hq4 h ARG 192 Cb 1.20 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hq4 h ARG 192 CO 0.65 0.16 0.00 1.63 -1.51 0.00 0.00 179.97 180.90 3hq4 n LYS 193 N -4.43 3.71 -1.38 0.20 5.02 -1.26 -4.95 118.16 115.07 3hq4 n LYS 193 Ca 0.14 -2.85 -0.13 0.00 -2.02 0.00 0.00 58.31 53.45 3hq4 n LYS 193 Cb 0.61 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 3hq4 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hq4 n GLY 194 N 0.55 1.36 3.54 0.72 0.00 -0.60 -4.97 105.19 105.79 3hq4 n GLY 194 Ca 0.24 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3hq4 n GLY 194 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hq4 s ASP 195 N -2.72 6.40 0.58 1.61 -1.08 -1.26 -4.94 116.67 115.26 3hq4 s ASP 195 Ca 0.00 -0.09 0.37 0.00 -0.52 0.00 0.00 52.55 52.31 3hq4 s ASP 195 Cb 0.00 -2.36 1.74 0.00 -1.46 0.00 0.00 42.92 40.83 3hq4 s ASP 195 CO 0.00 -0.82 2.11 0.11 0.52 0.00 0.00 175.17 177.09 3hq4 h LYS 196 N 8.84 0.00 0.05 4.34 1.57 -1.95 -2.12 116.57 127.30 3hq4 h LYS 196 Ca -0.25 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.21 3hq4 h LYS 196 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 3hq4 h LYS 196 CO 0.92 0.00 -1.74 0.54 -0.57 0.00 0.00 179.45 178.60 3hq4 n ARG 197 N -3.04 0.66 0.31 3.15 1.74 -1.26 -4.05 116.66 114.16 3hq4 n ARG 197 Ca -0.01 0.40 0.18 0.00 -0.77 0.00 0.00 57.85 57.65 3hq4 n ARG 197 Cb 0.21 -1.70 0.97 0.00 -1.02 0.00 0.00 32.46 30.93 3hq4 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hq4 h ARG 198 N -0.48 0.00 0.00 5.56 3.08 -1.86 -1.96 114.38 118.71 3hq4 h ARG 198 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 3hq4 h ARG 198 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.72 3hq4 h ARG 198 CO -0.09 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.72 3hq4 h ALA 199 N 1.75 1.45 -2.39 0.04 0.00 -1.52 -2.95 119.26 115.64 3hq4 h ALA 199 Ca 0.00 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 54.35 3hq4 h ALA 199 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hq4 h ALA 199 CO 0.00 0.11 0.24 1.03 0.00 0.00 0.00 179.25 180.63 3hq4 s ARG 200 N -4.43 4.34 -0.65 0.00 1.81 -0.74 -1.31 118.95 117.96 3hq4 s ARG 200 Ca -0.04 1.06 -0.36 0.00 -1.72 0.00 0.00 55.73 54.67 3hq4 s ARG 200 Cb 0.14 -2.67 -0.19 0.00 -0.45 0.00 0.00 34.95 31.79 3hq4 s ARG 200 CO 0.59 0.24 2.19 0.00 -0.68 0.00 0.00 175.30 177.65 3hq4 n ALA 201 N 0.27 0.23 -0.14 2.13 0.00 -1.26 -4.14 120.51 117.60 3hq4 n ALA 201 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 3hq4 n ALA 201 Cb 0.51 -1.99 0.23 0.00 0.00 0.00 0.00 19.45 18.20 3hq4 n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hq4 h ALA 202 N 9.46 1.34 -0.50 0.00 0.00 -1.30 -3.12 119.26 125.13 3hq4 h ALA 202 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hq4 h ALA 202 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hq4 h ALA 202 CO 1.12 0.50 0.00 0.00 0.00 0.00 0.00 179.25 180.87 3hq4 n ALA 203 N -2.45 2.66 -0.45 0.00 0.00 -1.26 -4.06 120.51 114.94 3hq4 n ALA 203 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3hq4 n ALA 203 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hq4 n ALA 203 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hq4 n GLU 204 N 0.91 0.94 -3.91 0.00 -0.58 -1.18 -4.74 120.64 112.08 3hq4 n GLU 204 Ca 0.18 -0.80 -0.10 0.00 -0.42 0.00 0.00 57.16 56.02 3hq4 n GLU 204 Cb 0.55 -0.77 -0.10 0.00 -0.57 0.00 0.00 31.44 30.55 3hq4 n GLU 204 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3hq4 s ASN 205 N -0.37 0.13 -0.17 1.62 -0.87 -1.23 -5.06 114.94 108.98 3hq4 s ASN 205 Ca 0.00 -0.41 -0.23 0.00 -1.57 0.00 0.00 52.86 50.65 3hq4 s ASN 205 Cb 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 41.41 3hq4 s ASN 205 CO 0.00 -0.43 0.73 -0.63 -2.57 0.00 0.00 177.10 174.20 3hq4 s ILE 206 N -2.00 4.96 -0.22 0.60 1.01 -1.26 -4.12 121.20 120.16 3hq4 s ILE 206 Ca -0.10 1.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 3hq4 s ILE 206 Cb -0.05 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.44 3hq4 s ILE 206 CO -0.02 0.08 -0.01 -0.63 0.00 0.00 0.00 174.94 174.37 3hq4 s ILE 207 N 1.92 1.09 0.36 2.92 1.01 -0.04 -4.94 121.20 123.53 3hq4 s ILE 207 Ca 0.34 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 3hq4 s ILE 207 Cb -0.16 -1.49 -0.11 0.00 0.01 0.00 0.00 42.46 40.71 3hq4 s ILE 207 CO 0.12 -0.19 1.44 -2.84 0.00 0.00 0.00 174.94 173.47 3hq4 s PRO 208 N 1.59 4.17 0.13 2.79 0.02 -1.26 -0.37 135.00 142.07 3hq4 s PRO 208 Ca -0.03 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 3hq4 s PRO 208 Cb -0.18 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.36 3hq4 s PRO 208 CO -0.08 -0.45 0.33 1.21 -0.33 0.00 0.00 177.00 177.68 3hq4 s ASN 209 N -0.22 -0.07 0.42 2.53 2.47 0.31 -4.82 114.94 115.56 3hq4 s ASN 209 Ca 0.52 -0.54 -0.08 0.00 0.42 0.00 0.00 52.86 53.18 3hq4 s ASN 209 Cb -0.45 0.44 -0.05 0.00 -1.45 0.00 0.00 41.25 39.74 3hq4 s ASN 209 CO 0.60 -0.84 0.75 -0.94 -3.72 0.00 0.00 177.10 172.95 3hq4 s SER 210 N -2.86 6.40 0.08 -4.21 1.04 -1.26 -0.85 113.70 112.05 3hq4 s SER 210 Ca 0.07 1.00 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 3hq4 s SER 210 Cb 0.03 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.94 3hq4 s SER 210 CO -0.08 -0.45 0.56 0.28 0.98 0.00 0.00 173.24 174.52 3hq4 s THR 211 N -2.50 0.02 -2.08 2.02 -1.32 -1.26 -4.74 115.64 105.78 3hq4 s THR 211 Ca 0.49 -0.16 0.17 0.00 -1.21 0.00 0.00 61.69 60.99 3hq4 s THR 211 Cb -0.10 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 69.99 3hq4 s THR 211 CO 0.37 -0.09 1.03 0.61 -2.21 0.00 0.00 174.62 174.33 3hq4 n GLY 212 N 0.13 0.27 0.23 6.08 0.00 -1.26 -4.67 105.19 105.97 3hq4 n GLY 212 Ca -0.18 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3hq4 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 h ALA 213 N 3.36 0.68 0.09 4.61 0.00 -1.95 0.55 119.26 126.61 3hq4 h ALA 213 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3hq4 h ALA 213 Cb 0.70 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hq4 h ALA 213 CO 0.00 -0.35 -0.67 0.00 0.00 0.00 0.00 179.25 178.23 3hq4 h ALA 214 N 1.52 -0.05 -0.25 0.00 0.00 -1.88 -3.01 119.26 115.59 3hq4 h ALA 214 Ca 0.32 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3hq4 h ALA 214 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hq4 h ALA 214 CO -0.46 0.32 -0.39 -0.22 0.00 0.00 0.00 179.25 178.50 3hq4 h LYS 215 N -0.38 0.57 -0.58 0.00 3.64 -1.40 -2.10 116.57 116.32 3hq4 h LYS 215 Ca -0.11 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3hq4 h LYS 215 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3hq4 h LYS 215 CO 0.13 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.18 3hq4 n ALA 216 N -2.50 2.79 -0.14 5.00 0.00 0.19 -4.54 120.51 121.31 3hq4 n ALA 216 Ca -0.02 -1.03 0.13 0.00 0.00 0.00 0.00 53.44 52.53 3hq4 n ALA 216 Cb 0.51 -1.01 0.49 0.00 0.00 0.00 0.00 19.45 19.44 3hq4 n ALA 216 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hq4 h ILE 217 N 2.85 0.85 -1.06 0.00 6.09 -1.23 -1.05 117.51 123.95 3hq4 h ILE 217 Ca 0.00 -0.15 0.31 0.00 -1.37 0.00 0.00 64.86 63.65 3hq4 h ILE 217 Cb 0.97 0.37 -0.04 0.00 0.47 0.00 0.00 36.82 38.59 3hq4 h ILE 217 CO 0.12 0.08 0.95 1.23 -3.07 0.00 0.00 178.15 177.46 3hq4 h GLY 218 N 0.44 0.00 2.00 8.18 0.00 -1.80 0.67 103.07 112.56 3hq4 h GLY 218 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3hq4 h GLY 218 CO -0.10 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 176.83 3hq4 h LYS 219 N 0.00 0.00 0.00 4.80 1.57 -1.56 -2.89 116.57 118.50 3hq4 h LYS 219 Ca 0.51 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.94 3hq4 h LYS 219 Cb 2.41 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.66 3hq4 h LYS 219 CO -0.01 0.10 -2.28 0.28 -0.57 0.00 0.00 179.45 176.98 3hq4 n VAL 220 N -3.32 1.28 -3.83 0.50 0.31 0.21 -4.62 118.33 108.87 3hq4 n VAL 220 Ca -0.00 -0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 63.56 3hq4 n VAL 220 Cb 0.31 -1.36 -0.14 0.00 -0.91 0.00 0.00 33.84 31.75 3hq4 n VAL 220 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hq4 s ILE 221 N -2.44 1.87 0.28 2.52 1.01 -0.04 -4.77 121.20 119.62 3hq4 s ILE 221 Ca -0.30 -2.72 0.01 0.00 0.00 0.00 0.00 60.65 57.63 3hq4 s ILE 221 Cb 0.08 -2.32 0.26 0.00 0.01 0.00 0.00 42.46 40.50 3hq4 s ILE 221 CO 0.50 -0.82 1.78 1.55 0.00 0.00 0.00 174.94 177.95 3hq4 h PRO 222 N 6.83 0.70 0.00 2.79 0.13 -1.77 -2.97 132.00 137.71 3hq4 h PRO 222 Ca -0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3hq4 h PRO 222 Cb 0.93 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hq4 h PRO 222 CO 0.56 0.47 0.00 -0.85 -0.23 0.00 0.00 178.00 177.95 3hq4 n GLU 223 N -4.80 0.17 -0.10 0.86 0.00 -1.26 -1.33 120.64 114.18 3hq4 n GLU 223 Ca 0.19 0.14 0.03 0.00 0.00 0.00 0.00 57.16 57.51 3hq4 n GLU 223 Cb 0.45 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.43 3hq4 n GLU 223 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hq4 n ILE 224 N -1.19 0.87 -1.64 3.84 -5.35 -1.12 -5.05 119.36 109.72 3hq4 n ILE 224 Ca 0.05 -0.98 -0.50 0.00 -0.27 0.00 0.00 62.75 61.05 3hq4 n ILE 224 Cb 0.06 0.40 -0.05 0.00 -1.74 0.00 0.00 39.64 38.30 3hq4 n ILE 224 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3hq4 n ASP 225 N -0.57 2.44 0.00 7.28 2.03 -0.45 -1.10 116.55 126.18 3hq4 n ASP 225 Ca 0.04 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3hq4 n ASP 225 Cb 0.48 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 3hq4 n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hq4 n GLY 226 N 3.27 1.58 0.06 0.27 0.00 -1.26 -4.92 105.19 104.18 3hq4 n GLY 226 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3hq4 n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hq4 n LYS 227 N -2.00 0.28 -4.36 1.61 5.02 -0.26 -4.92 118.16 113.54 3hq4 n LYS 227 Ca 0.00 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 3hq4 n LYS 227 Cb 0.00 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.21 3hq4 n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hq4 s LEU 228 N -4.17 2.32 0.00 -0.35 1.43 -1.26 -1.02 118.68 115.63 3hq4 s LEU 228 Ca 0.06 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 3hq4 s LEU 228 Cb 0.14 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 45.27 3hq4 s LEU 228 CO 0.72 0.14 0.68 -0.67 0.23 0.00 0.00 176.35 177.46 3hq4 n ASP 229 N 0.94 -1.95 0.00 2.29 2.03 -1.10 -3.43 116.55 115.33 3hq4 n ASP 229 Ca -0.18 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.51 3hq4 n ASP 229 Cb 0.53 3.33 0.00 0.00 -0.72 0.00 0.00 41.12 44.27 3hq4 n ASP 229 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hq4 n GLY 230 N -0.53 0.83 1.10 0.27 0.00 -1.26 -0.95 105.19 104.65 3hq4 n GLY 230 Ca -0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 3hq4 n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hq4 n GLY 231 N 0.00 2.87 3.18 -0.02 0.00 -0.69 -4.44 105.19 106.09 3hq4 n GLY 231 Ca 0.00 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 3hq4 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 s ALA 232 N -2.00 1.22 -0.17 4.61 0.00 -0.03 -1.22 121.76 124.16 3hq4 s ALA 232 Ca 0.10 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3hq4 s ALA 232 Cb -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3hq4 s ALA 232 CO 0.07 0.18 -0.14 -0.65 0.00 0.00 0.00 175.76 175.22 3hq4 s GLN 233 N -1.74 2.34 -0.07 0.00 -1.52 0.28 -0.53 119.66 118.42 3hq4 s GLN 233 Ca -0.01 -0.73 -0.22 0.00 -1.95 0.00 0.00 55.36 52.45 3hq4 s GLN 233 Cb -0.10 -2.32 -0.04 0.00 -0.22 0.00 0.00 33.01 30.33 3hq4 s GLN 233 CO 0.02 -0.30 0.65 1.03 -0.25 0.00 0.00 175.29 176.44 3hq4 s ARG 234 N 1.41 4.41 0.28 2.91 1.81 0.50 -0.95 118.95 129.31 3hq4 s ARG 234 Ca 0.02 0.79 0.03 0.00 -1.72 0.00 0.00 55.73 54.86 3hq4 s ARG 234 Cb -0.14 -3.44 -0.06 0.00 -0.45 0.00 0.00 34.95 30.86 3hq4 s ARG 234 CO -0.10 0.11 0.04 0.14 -0.68 0.00 0.00 175.30 174.80 3hq4 s VAL 235 N 0.68 1.05 -1.58 3.52 -7.23 -0.55 -0.86 120.40 115.43 3hq4 s VAL 235 Ca 0.35 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3hq4 s VAL 235 Cb -0.17 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 3hq4 s VAL 235 CO 0.17 -0.13 2.79 -2.65 -0.31 0.00 0.00 175.10 174.97 3hq4 n PRO 236 N -0.55 3.59 -4.40 4.82 -0.02 -1.26 -3.03 135.00 134.15 3hq4 n PRO 236 Ca -0.03 -2.34 -0.28 0.00 -2.02 0.00 0.00 63.50 58.82 3hq4 n PRO 236 Cb 0.65 -2.89 -0.13 0.00 -0.02 0.00 0.00 33.50 31.12 3hq4 n PRO 236 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hq4 s VAL 237 N 2.20 2.18 -0.24 -1.45 -7.23 -1.26 -5.04 120.40 109.56 3hq4 s VAL 237 Ca 0.65 -1.71 0.18 0.00 -1.81 0.00 0.00 61.98 59.28 3hq4 s VAL 237 Cb 0.17 -1.93 0.11 0.00 0.56 0.00 0.00 36.38 35.30 3hq4 s VAL 237 CO -0.07 0.08 1.39 0.00 -0.31 0.00 0.00 175.10 176.19 3hq4 h ALA 238 N 3.95 0.75 -2.45 1.32 0.00 -1.86 -2.59 119.26 118.37 3hq4 h ALA 238 Ca -0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3hq4 h ALA 238 Cb 1.17 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3hq4 h ALA 238 CO 0.39 0.44 0.27 -0.08 0.00 0.00 0.00 179.25 180.27 3hq4 s THR 239 N -3.06 0.00 0.00 0.00 -1.32 -1.26 -4.63 115.64 105.37 3hq4 s THR 239 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3hq4 s THR 239 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 3hq4 s THR 239 CO 0.74 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 3hq4 n GLY 240 N 0.17 2.69 3.35 6.08 0.00 -1.26 -4.81 105.19 111.41 3hq4 n GLY 240 Ca -0.16 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3hq4 n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hq4 s SER 241 N 0.00 0.06 -0.06 1.61 0.01 0.18 -3.21 113.70 112.28 3hq4 s SER 241 Ca 0.00 -1.17 -0.03 0.00 1.31 0.00 0.00 55.95 56.07 3hq4 s SER 241 Cb 0.00 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.73 3hq4 s SER 241 CO 0.00 -0.95 0.13 -0.22 0.41 0.00 0.00 173.24 172.61 3hq4 s LEU 242 N -3.09 0.41 -0.28 2.44 2.96 0.29 -1.03 118.68 120.38 3hq4 s LEU 242 Ca 0.30 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 3hq4 s LEU 242 Cb 0.04 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 3hq4 s LEU 242 CO 0.09 -0.19 0.16 -0.89 -1.32 0.00 0.00 176.35 174.20 3hq4 s THR 243 N 1.68 5.03 -0.15 3.68 2.01 -0.08 -0.64 115.64 127.17 3hq4 s THR 243 Ca -0.03 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 3hq4 s THR 243 Cb -0.12 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3hq4 s THR 243 CO -0.05 0.26 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.50 3hq4 s GLU 244 N 1.72 3.59 -0.05 4.92 2.02 -0.30 -0.69 118.70 129.90 3hq4 s GLU 244 Ca 0.07 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.58 3hq4 s GLU 244 Cb -0.16 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.17 3hq4 s GLU 244 CO 0.09 0.33 -0.04 -1.17 0.02 0.00 0.00 175.26 174.48 3hq4 s LEU 245 N 0.14 1.24 -0.20 1.80 2.96 -0.54 -0.62 118.68 123.46 3hq4 s LEU 245 Ca -0.00 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3hq4 s LEU 245 Cb -0.13 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.08 3hq4 s LEU 245 CO 0.02 -0.07 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.98 3hq4 s THR 246 N 1.08 2.80 0.20 3.68 2.01 0.18 -1.56 115.64 124.03 3hq4 s THR 246 Ca -0.08 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.30 3hq4 s THR 246 Cb -0.14 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3hq4 s THR 246 CO -0.01 0.47 -0.15 0.68 -0.69 0.00 0.00 174.62 174.91 3hq4 s VAL 247 N 1.39 1.79 -0.10 3.82 -7.23 0.52 -0.52 120.40 120.08 3hq4 s VAL 247 Ca 0.05 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.05 3hq4 s VAL 247 Cb -0.14 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 3hq4 s VAL 247 CO -0.07 -0.53 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.46 3hq4 s VAL 248 N -2.76 3.96 0.28 1.32 1.01 -0.33 -1.55 120.40 122.33 3hq4 s VAL 248 Ca 0.21 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3hq4 s VAL 248 Cb -0.02 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3hq4 s VAL 248 CO 0.07 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.89 3hq4 s LEU 249 N -0.54 2.55 -0.04 3.92 1.43 -1.26 -1.72 118.68 123.03 3hq4 s LEU 249 Ca 0.08 -1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 51.81 3hq4 s LEU 249 Cb -0.12 -0.77 -0.22 0.00 0.03 0.00 0.00 46.19 45.12 3hq4 s LEU 249 CO 0.02 -0.23 1.09 -0.33 0.23 0.00 0.00 176.35 177.13 3hq4 h GLU 250 N 2.29 0.18 -6.78 1.70 5.08 0.16 -3.45 114.58 113.77 3hq4 h GLU 250 Ca -0.40 -0.17 -0.57 0.00 -1.00 0.00 0.00 59.36 57.22 3hq4 h GLU 250 Cb 1.24 0.04 0.13 0.00 0.50 0.00 0.00 28.75 30.66 3hq4 h GLU 250 CO 0.66 0.86 0.34 1.63 -1.00 0.00 0.00 179.01 181.49 3hq4 n LYS 251 N -4.54 1.58 -4.38 2.33 5.02 -0.32 -5.03 118.16 112.82 3hq4 n LYS 251 Ca -0.09 0.57 -0.24 0.00 -2.02 0.00 0.00 58.31 56.52 3hq4 n LYS 251 Cb 0.46 -2.25 -0.09 0.00 -0.02 0.00 0.00 35.03 33.14 3hq4 n LYS 251 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hq4 s GLN 252 N -2.25 2.00 -1.62 1.97 -1.52 -1.26 -4.68 119.66 112.31 3hq4 s GLN 252 Ca 0.64 -1.70 -0.15 0.00 -1.95 0.00 0.00 55.36 52.20 3hq4 s GLN 252 Cb -0.51 -1.92 0.12 0.00 -0.22 0.00 0.00 33.01 30.48 3hq4 s GLN 252 CO 0.56 0.23 0.84 -0.25 -0.25 0.00 0.00 175.29 176.42 3hq4 n ASP 253 N -0.84 -3.68 -4.77 5.90 8.00 -1.26 -4.94 116.55 114.96 3hq4 n ASP 253 Ca -0.05 -0.92 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 3hq4 n ASP 253 Cb 0.61 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.45 3hq4 n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hq4 s VAL 254 N -3.34 3.33 0.25 2.53 1.01 -1.26 -5.06 120.40 117.85 3hq4 s VAL 254 Ca 0.66 1.19 0.12 0.00 0.00 0.00 0.00 61.98 63.94 3hq4 s VAL 254 Cb -0.35 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3hq4 s VAL 254 CO 0.89 0.18 -0.20 0.42 0.00 0.00 0.00 175.10 176.38 3hq4 s THR 255 N -1.34 2.50 0.26 3.92 -4.23 -1.26 -4.99 115.64 110.50 3hq4 s THR 255 Ca 0.52 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3hq4 s THR 255 Cb -0.30 -2.27 0.26 0.00 1.34 0.00 0.00 72.50 71.53 3hq4 s THR 255 CO 0.39 -0.29 1.68 0.58 -0.54 0.00 0.00 174.62 176.44 3hq4 h VAL 256 N 2.59 0.46 -0.26 2.29 2.07 -1.93 -2.38 116.25 119.08 3hq4 h VAL 256 Ca -0.43 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3hq4 h VAL 256 Cb 1.24 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hq4 h VAL 256 CO 0.56 0.05 0.14 -0.33 0.02 0.00 0.00 177.57 178.00 3hq4 h GLU 257 N 0.28 0.37 -0.80 1.57 3.07 -1.98 -0.33 114.58 116.76 3hq4 h GLU 257 Ca 0.47 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 3hq4 h GLU 257 Cb 0.85 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.66 3hq4 h GLU 257 CO -0.55 0.35 0.45 1.96 -1.40 0.00 0.00 179.01 179.82 3hq4 h GLN 258 N 0.30 1.11 -0.11 2.33 4.20 -1.90 -2.37 115.11 118.68 3hq4 h GLN 258 Ca 0.09 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3hq4 h GLN 258 Cb 0.09 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3hq4 h GLN 258 CO -0.01 0.80 -0.04 0.28 -0.67 0.00 0.00 178.83 179.18 3hq4 h VAL 259 N 1.12 1.31 -0.68 -0.54 2.07 -0.90 -2.03 116.25 116.60 3hq4 h VAL 259 Ca 0.28 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3hq4 h VAL 259 Cb 0.00 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3hq4 h VAL 259 CO -0.05 0.30 0.37 0.78 0.02 0.00 0.00 177.57 178.99 3hq4 h ASN 260 N -0.13 0.54 -0.52 0.57 2.35 -1.04 -2.46 115.58 114.89 3hq4 h ASN 260 Ca 0.02 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 3hq4 h ASN 260 Cb 0.49 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 3hq4 h ASN 260 CO 0.01 0.35 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.69 3hq4 h GLU 261 N 0.68 1.02 -0.78 0.81 4.39 -1.44 0.11 114.58 119.36 3hq4 h GLU 261 Ca 0.31 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3hq4 h GLU 261 Cb 0.21 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3hq4 h GLU 261 CO -0.19 1.06 0.50 0.00 -1.16 0.00 0.00 179.01 179.22 3hq4 h ALA 262 N 0.95 1.01 -0.06 3.43 0.00 -1.10 -0.99 119.26 122.49 3hq4 h ALA 262 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hq4 h ALA 262 Cb 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hq4 h ALA 262 CO 0.05 0.33 -0.01 0.52 0.00 0.00 0.00 179.25 180.14 3hq4 h MET 263 N 0.99 0.12 -0.64 0.00 2.86 -0.97 -2.89 114.93 114.39 3hq4 h MET 263 Ca 0.30 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.97 3hq4 h MET 263 Cb -0.03 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 3hq4 h MET 263 CO -0.10 0.44 0.33 -0.22 1.06 0.00 0.00 176.91 178.43 3hq4 h LYS 264 N -0.22 0.59 0.00 1.72 3.64 -0.64 -2.41 116.57 119.25 3hq4 h LYS 264 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hq4 h LYS 264 Cb 0.40 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3hq4 h LYS 264 CO 0.01 0.39 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.65 3hq4 h ASN 265 N 0.61 0.00 -0.00 4.20 2.35 -1.11 -0.43 115.58 121.19 3hq4 h ASN 265 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3hq4 h ASN 265 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3hq4 h ASN 265 CO -0.21 0.02 -0.01 0.00 -1.65 0.00 0.00 177.43 175.58 3hq4 n ALA 266 N -2.37 2.60 -1.74 -0.83 0.00 -0.92 -4.98 120.51 112.26 3hq4 n ALA 266 Ca -0.03 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 3hq4 n ALA 266 Cb 0.10 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.41 3hq4 n ALA 266 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hq4 s SER 267 N -2.02 4.91 0.00 0.00 1.04 -0.17 -4.85 113.70 112.61 3hq4 s SER 267 Ca 0.38 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.33 3hq4 s SER 267 Cb 0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3hq4 s SER 267 CO 0.34 -1.79 0.00 -0.46 0.98 0.00 0.00 173.24 172.31 3hq4 n ASN 268 N -1.71 0.00 0.12 7.02 0.23 -0.09 -4.95 115.26 115.87 3hq4 n ASN 268 Ca 0.15 -0.63 0.12 0.00 -0.53 0.00 0.00 54.58 53.68 3hq4 n ASN 268 Cb 0.49 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.66 3hq4 n ASN 268 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3hq4 n GLU 269 N 0.00 0.18 -0.07 -3.83 0.00 -1.26 -2.48 120.64 113.18 3hq4 n GLU 269 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 57.16 57.48 3hq4 n GLU 269 Cb 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 31.44 29.45 3hq4 n GLU 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3hq4 n SER 270 N -2.17 0.08 -4.09 -1.84 7.64 -1.26 -4.12 113.62 107.86 3hq4 n SER 270 Ca 0.03 0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 3hq4 n SER 270 Cb 0.25 1.08 -0.14 0.00 -1.01 0.00 0.00 64.21 64.39 3hq4 n SER 270 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3hq4 s PHE 271 N -2.69 3.45 0.47 1.43 5.36 -1.03 -0.47 117.98 124.49 3hq4 s PHE 271 Ca -0.09 -2.39 0.00 0.00 -0.96 0.00 0.00 56.93 53.49 3hq4 s PHE 271 Cb 0.08 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 3hq4 s PHE 271 CO 0.84 -0.89 0.69 0.20 -1.46 0.00 0.00 175.22 174.61 3hq4 s GLY 272 N 1.20 1.62 -0.03 13.12 0.00 0.11 -0.91 107.32 122.43 3hq4 s GLY 272 Ca -0.00 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3hq4 s GLY 272 CO -0.05 -0.92 -0.03 -0.47 0.00 0.00 0.00 173.10 171.64 3hq4 s TYR 273 N -2.60 0.49 0.00 1.90 5.04 -1.26 -0.97 117.35 119.96 3hq4 s TYR 273 Ca 0.50 -0.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.00 3hq4 s TYR 273 Cb -0.10 -0.47 -0.01 0.00 0.35 0.00 0.00 41.96 41.74 3hq4 s TYR 273 CO 0.38 -0.12 0.06 -0.08 -1.34 0.00 0.00 175.55 174.45 3hq4 s THR 274 N 0.70 0.08 -0.22 4.34 -1.32 -0.69 -4.93 115.64 113.60 3hq4 s THR 274 Ca -0.08 -0.65 0.11 0.00 -1.21 0.00 0.00 61.69 59.86 3hq4 s THR 274 Cb -0.11 -0.31 0.24 0.00 -1.51 0.00 0.00 72.50 70.81 3hq4 s THR 274 CO -0.01 -0.36 1.17 -0.62 -2.21 0.00 0.00 174.62 172.59 3hq4 n GLU 275 N 1.80 2.37 -3.29 7.08 1.02 -1.26 -1.33 120.64 127.02 3hq4 n GLU 275 Ca -0.21 -2.20 -0.35 0.00 -0.02 0.00 0.00 57.16 54.38 3hq4 n GLU 275 Cb 0.56 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 3hq4 n GLU 275 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hq4 s ASP 276 N -1.82 6.85 -1.36 1.62 1.11 -1.26 -4.80 116.67 117.00 3hq4 s ASP 276 Ca 0.22 1.15 -0.09 0.00 0.18 0.00 0.00 52.55 54.01 3hq4 s ASP 276 Cb 0.18 -2.32 0.10 0.00 1.07 0.00 0.00 42.92 41.95 3hq4 s ASP 276 CO 0.05 0.05 2.20 -0.62 1.18 0.00 0.00 175.17 178.03 3hq4 n GLU 277 N 0.61 3.75 -1.77 8.23 1.02 -1.26 -4.89 120.64 126.32 3hq4 n GLU 277 Ca -0.03 -3.19 -0.29 0.00 -0.02 0.00 0.00 57.16 53.63 3hq4 n GLU 277 Cb 0.52 -2.90 0.11 0.00 -0.02 0.00 0.00 31.44 29.15 3hq4 n GLU 277 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3hq4 s ILE 278 N 0.69 1.99 0.40 -3.67 -4.36 -1.26 -5.13 121.20 109.87 3hq4 s ILE 278 Ca 0.48 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.92 3hq4 s ILE 278 Cb 0.14 -2.91 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 3hq4 s ILE 278 CO -0.04 0.00 0.18 1.33 0.24 0.00 0.00 174.94 176.64 3hq4 n VAL 279 N -3.52 0.00 -0.22 8.37 0.24 -1.26 -5.05 118.33 116.90 3hq4 n VAL 279 Ca 0.08 -2.44 -0.05 0.00 -2.04 0.00 0.00 64.34 59.89 3hq4 n VAL 279 Cb 0.60 0.94 0.05 0.00 -1.47 0.00 0.00 33.84 33.97 3hq4 n VAL 279 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3hq4 h SER 280 N 1.75 0.66 -0.02 -1.34 4.64 -1.96 -1.68 113.55 115.60 3hq4 h SER 280 Ca -0.31 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3hq4 h SER 280 Cb 1.24 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hq4 h SER 280 CO 0.48 0.46 0.10 0.77 -0.87 0.00 0.00 176.83 177.77 3hq4 h SER 281 N 0.78 0.00 0.83 4.97 4.64 -1.96 -0.31 113.55 122.50 3hq4 h SER 281 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hq4 h SER 281 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3hq4 h SER 281 CO -0.08 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.32 3hq4 h ASP 282 N 0.00 0.00 -0.02 4.97 3.32 -1.71 -2.97 116.42 120.01 3hq4 h ASP 282 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hq4 h ASP 282 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hq4 h ASP 282 CO -0.00 0.00 -0.09 1.33 -1.72 0.00 0.00 179.24 178.76 3hq4 n VAL 283 N -2.35 0.00 -1.65 -1.35 0.24 -0.13 -4.92 118.33 108.17 3hq4 n VAL 283 Ca 0.02 -0.46 -0.46 0.00 -2.04 0.00 0.00 64.34 61.40 3hq4 n VAL 283 Cb 0.26 1.30 -0.04 0.00 -1.47 0.00 0.00 33.84 33.89 3hq4 n VAL 283 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hq4 n VAL 284 N 0.65 0.60 -0.33 3.34 0.31 -1.13 -1.93 118.33 119.84 3hq4 n VAL 284 Ca 0.09 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3hq4 n VAL 284 Cb 0.39 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3hq4 n VAL 284 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hq4 n GLY 285 N 4.71 0.72 3.81 2.92 0.00 -1.26 -5.05 105.19 111.03 3hq4 n GLY 285 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3hq4 n GLY 285 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hq4 s MET 286 N -0.64 3.13 0.00 1.61 0.00 -0.81 -4.92 119.30 117.67 3hq4 s MET 286 Ca 0.00 1.13 0.08 0.00 0.00 0.00 0.00 55.69 56.90 3hq4 s MET 286 Cb 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 34.83 32.95 3hq4 s MET 286 CO 0.00 -0.95 0.93 0.25 0.00 0.00 0.00 175.02 175.25 3hq4 n THR 287 N -2.47 0.41 -2.13 3.16 -2.24 -1.26 -2.83 114.28 106.92 3hq4 n THR 287 Ca 0.08 -0.70 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 3hq4 n THR 287 Cb 0.53 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 3hq4 n THR 287 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hq4 s TYR 288 N -0.81 2.96 0.22 4.78 4.12 -1.26 -4.70 117.35 122.67 3hq4 s TYR 288 Ca 0.13 1.45 0.12 0.00 0.02 0.00 0.00 57.07 58.79 3hq4 s TYR 288 Cb 0.08 -3.60 0.39 0.00 -1.52 0.00 0.00 41.96 37.30 3hq4 s TYR 288 CO 0.11 -1.81 1.61 0.78 0.02 0.00 0.00 175.55 176.26 3hq4 h GLY 289 N 2.92 0.00 -5.13 0.71 0.00 -0.97 -3.39 103.07 97.21 3hq4 h GLY 289 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3hq4 h GLY 289 CO 0.64 0.00 -0.02 -0.45 0.00 0.00 0.00 176.54 176.70 3hq4 s SER 290 N -6.72 -0.75 -0.31 0.19 0.15 -0.74 -3.59 113.70 101.93 3hq4 s SER 290 Ca -0.01 1.31 0.02 0.00 0.70 0.00 0.00 55.95 57.98 3hq4 s SER 290 Cb 0.12 1.25 0.09 0.00 -1.71 0.00 0.00 66.02 65.78 3hq4 s SER 290 CO 0.75 -0.22 0.04 -0.22 1.20 0.00 0.00 173.24 174.78 3hq4 s LEU 291 N 1.00 3.75 0.08 3.45 2.96 0.03 0.05 118.68 130.01 3hq4 s LEU 291 Ca -0.05 -1.86 -0.30 0.00 -0.22 0.00 0.00 54.13 51.69 3hq4 s LEU 291 Cb -0.05 -1.37 -0.06 0.00 0.50 0.00 0.00 46.19 45.22 3hq4 s LEU 291 CO -0.09 -0.36 1.10 0.12 -1.32 0.00 0.00 176.35 175.79 3hq4 s PHE 292 N 1.16 3.57 -0.38 5.38 5.36 -0.14 0.04 117.98 132.98 3hq4 s PHE 292 Ca 0.08 1.53 -0.06 0.00 -0.96 0.00 0.00 56.93 57.51 3hq4 s PHE 292 Cb -0.19 -3.27 0.07 0.00 -0.34 0.00 0.00 43.02 39.29 3hq4 s PHE 292 CO -0.12 -0.64 0.17 0.34 -1.46 0.00 0.00 175.22 173.50 3hq4 s ASP 293 N 0.61 5.39 0.51 6.13 -1.08 -0.50 -1.71 116.67 126.03 3hq4 s ASP 293 Ca 0.53 -1.44 0.30 0.00 -0.52 0.00 0.00 52.55 51.43 3hq4 s ASP 293 Cb -0.27 -1.89 1.14 0.00 -1.46 0.00 0.00 42.92 40.44 3hq4 s ASP 293 CO 0.31 -0.44 1.90 0.00 0.52 0.00 0.00 175.17 177.46 3hq4 h ALA 294 N 8.24 1.00 0.00 3.66 0.00 -1.51 -2.31 119.26 128.35 3hq4 h ALA 294 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hq4 h ALA 294 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hq4 h ALA 294 CO 0.67 0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.77 3hq4 h THR 295 N 0.00 0.00 -0.08 0.00 1.35 -1.87 -2.97 112.91 109.34 3hq4 h THR 295 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3hq4 h THR 295 Cb 0.63 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3hq4 h THR 295 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3hq4 n GLN 296 N -2.71 1.86 -2.06 4.72 6.02 -0.87 -4.97 117.38 119.38 3hq4 n GLN 296 Ca 0.00 -1.76 -0.42 0.00 -0.01 0.00 0.00 57.00 54.81 3hq4 n GLN 296 Cb 0.21 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 3hq4 n GLN 296 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hq4 s THR 297 N -1.61 3.10 -0.01 5.09 2.01 -1.13 -4.50 115.64 118.60 3hq4 s THR 297 Ca 0.25 0.72 0.04 0.00 0.31 0.00 0.00 61.69 63.00 3hq4 s THR 297 Cb 0.17 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3hq4 s THR 297 CO 0.25 0.04 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.97 3hq4 s ARG 298 N 1.61 0.99 -0.16 4.92 1.81 -0.49 -4.98 118.95 122.65 3hq4 s ARG 298 Ca 0.68 -0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 54.25 3hq4 s ARG 298 Cb -0.39 -0.96 -0.00 0.00 -0.45 0.00 0.00 34.95 33.16 3hq4 s ARG 298 CO 0.30 0.26 -0.15 0.08 -0.68 0.00 0.00 175.30 175.12 3hq4 s VAL 299 N -0.30 2.70 -0.24 3.52 1.01 -1.26 -0.89 120.40 124.94 3hq4 s VAL 299 Ca 0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 3hq4 s VAL 299 Cb -0.05 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3hq4 s VAL 299 CO -0.00 0.51 0.11 -0.32 0.00 0.00 0.00 175.10 175.39 3hq4 s MET 300 N 0.86 3.84 -0.14 2.72 1.75 -0.08 -4.98 119.30 123.27 3hq4 s MET 300 Ca -0.04 -0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3hq4 s MET 300 Cb -0.15 -3.41 -0.00 0.00 2.84 0.00 0.00 34.83 34.10 3hq4 s MET 300 CO -0.01 -0.06 -0.16 -1.12 -0.65 0.00 0.00 175.02 173.02 3hq4 s SER 301 N 1.33 3.64 -0.19 1.11 0.01 -1.26 -1.37 113.70 116.97 3hq4 s SER 301 Ca 0.06 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 3hq4 s SER 301 Cb -0.15 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.59 3hq4 s SER 301 CO 0.05 0.12 -0.00 -0.69 0.41 0.00 0.00 173.24 173.13 3hq4 s VAL 302 N 0.61 0.86 0.00 3.43 1.01 -0.24 -4.99 120.40 121.07 3hq4 s VAL 302 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3hq4 s VAL 302 Cb -0.16 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3hq4 s VAL 302 CO 0.03 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3hq4 n GLY 303 N 4.93 3.21 0.01 4.51 0.00 -1.26 -0.87 105.19 115.72 3hq4 n GLY 303 Ca -0.10 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.03 3hq4 n GLY 303 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hq4 n ASP 304 N 3.49 0.05 -4.45 1.61 8.00 -1.26 -4.88 116.55 119.11 3hq4 n ASP 304 Ca 0.00 -0.99 -0.35 0.00 0.71 0.00 0.00 54.79 54.17 3hq4 n ASP 304 Cb 0.00 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 3hq4 n ASP 304 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hq4 s ARG 305 N -2.02 3.62 0.12 -1.24 0.52 -0.05 -4.82 118.95 115.08 3hq4 s ARG 305 Ca 0.47 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 3hq4 s ARG 305 Cb 0.22 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3hq4 s ARG 305 CO 0.37 0.01 -0.19 -0.65 0.02 0.00 0.00 175.30 174.86 3hq4 s GLN 306 N 1.01 1.14 -0.03 3.54 -0.21 -1.26 -1.08 119.66 122.77 3hq4 s GLN 306 Ca 0.02 -1.22 0.06 0.00 0.02 0.00 0.00 55.36 54.25 3hq4 s GLN 306 Cb -0.14 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 3hq4 s GLN 306 CO 0.02 0.29 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.74 3hq4 s LEU 307 N -2.12 2.03 -0.14 2.90 1.02 -0.47 -4.66 118.68 117.24 3hq4 s LEU 307 Ca 0.08 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.81 3hq4 s LEU 307 Cb -0.09 -1.21 0.02 0.00 0.02 0.00 0.00 46.19 44.94 3hq4 s LEU 307 CO 0.05 0.25 -0.15 -0.69 0.02 0.00 0.00 176.35 175.83 3hq4 s VAL 308 N -0.35 1.62 -0.05 -1.59 1.01 -0.60 -0.91 120.40 119.53 3hq4 s VAL 308 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3hq4 s VAL 308 Cb -0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3hq4 s VAL 308 CO 0.01 0.47 -0.14 -0.75 0.00 0.00 0.00 175.10 174.68 3hq4 s LYS 309 N 1.29 2.55 0.21 2.72 2.20 -0.07 -0.35 119.74 128.28 3hq4 s LYS 309 Ca 0.01 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3hq4 s LYS 309 Cb -0.14 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3hq4 s LYS 309 CO -0.08 0.60 0.20 0.14 -0.36 0.00 0.00 175.35 175.85 3hq4 s VAL 310 N -0.67 0.00 -0.13 4.02 -7.23 -0.60 -1.40 120.40 114.39 3hq4 s VAL 310 Ca 0.10 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 3hq4 s VAL 310 Cb -0.11 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.43 3hq4 s VAL 310 CO 0.01 0.00 0.47 0.00 -0.31 0.00 0.00 175.10 175.26 3hq4 s ALA 311 N -4.13 -1.16 -0.02 1.32 0.00 -1.26 -1.47 121.76 115.04 3hq4 s ALA 311 Ca 0.36 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3hq4 s ALA 311 Cb 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3hq4 s ALA 311 CO 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 175.76 175.64 3hq4 s ALA 312 N -0.22 0.17 0.47 0.00 0.00 0.13 -1.41 121.76 120.90 3hq4 s ALA 312 Ca -0.04 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 3hq4 s ALA 312 Cb -0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3hq4 s ALA 312 CO 0.02 -0.07 0.77 -1.58 0.00 0.00 0.00 175.76 174.90 3hq4 s TRP 313 N 0.84 3.55 -0.18 0.00 0.52 0.11 -0.90 118.94 122.88 3hq4 s TRP 313 Ca -0.08 0.79 -0.23 0.00 0.02 0.00 0.00 56.10 56.60 3hq4 s TRP 313 Cb -0.11 -2.28 0.06 0.00 -1.15 0.00 0.00 33.47 30.00 3hq4 s TRP 313 CO -0.02 -0.24 0.62 1.52 0.02 0.00 0.00 176.95 178.85 3hq4 s TYR 314 N -2.69 -0.65 -0.60 -1.98 1.13 -0.20 -0.79 117.35 111.58 3hq4 s TYR 314 Ca 0.47 1.48 -0.25 0.00 -1.41 0.00 0.00 57.07 57.35 3hq4 s TYR 314 Cb -0.10 0.26 0.04 0.00 -1.10 0.00 0.00 41.96 41.06 3hq4 s TYR 314 CO 0.43 -0.39 1.06 0.34 -2.51 0.00 0.00 175.55 174.48 3hq4 s ASP 315 N -0.08 6.31 0.62 -0.18 -1.08 -1.26 0.47 116.67 121.47 3hq4 s ASP 315 Ca -0.03 -0.35 0.29 0.00 -0.52 0.00 0.00 52.55 51.94 3hq4 s ASP 315 Cb -0.04 -2.48 1.54 0.00 -1.46 0.00 0.00 42.92 40.49 3hq4 s ASP 315 CO 0.03 -1.41 1.92 -0.55 0.52 0.00 0.00 175.17 175.68 3hq4 h ASN 316 N 9.51 0.00 0.00 -0.34 7.08 -1.92 0.66 115.58 130.58 3hq4 h ASN 316 Ca -0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.95 3hq4 h ASN 316 Cb 1.07 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 3hq4 h ASN 316 CO 1.15 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 175.88 3hq4 n GLU 317 N -3.42 0.00 -0.00 4.14 1.02 -1.26 -4.14 120.64 116.98 3hq4 n GLU 317 Ca 0.04 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 3hq4 n GLU 317 Cb 0.53 -0.75 0.04 0.00 -0.02 0.00 0.00 31.44 31.24 3hq4 n GLU 317 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3hq4 h MET 318 N 0.00 0.58 -0.32 3.49 4.05 -1.79 -0.88 114.93 120.06 3hq4 h MET 318 Ca 0.00 -0.38 0.04 0.00 -0.28 0.00 0.00 59.70 59.08 3hq4 h MET 318 Cb 0.00 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 3hq4 h MET 318 CO 0.00 0.99 0.10 0.77 0.23 0.00 0.00 176.91 179.01 3hq4 h SER 319 N 0.44 0.10 -0.64 1.39 0.02 -0.71 -0.76 113.55 113.39 3hq4 h SER 319 Ca 0.00 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3hq4 h SER 319 Cb 1.13 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3hq4 h SER 319 CO 0.11 0.09 0.09 0.22 -1.14 0.00 0.00 176.83 176.20 3hq4 h TYR 320 N 0.24 1.16 -0.44 3.45 3.20 -1.54 -1.77 116.97 121.26 3hq4 h TYR 320 Ca 0.15 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 3hq4 h TYR 320 Cb 0.13 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3hq4 h TYR 320 CO -0.15 0.98 -0.17 1.15 -1.64 0.00 0.00 178.16 178.33 3hq4 h THR 321 N 1.01 1.27 -0.75 1.81 2.02 -0.87 0.40 112.91 117.81 3hq4 h THR 321 Ca 0.20 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 3hq4 h THR 321 Cb 0.46 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3hq4 h THR 321 CO 0.02 0.45 0.25 0.00 0.37 0.00 0.00 175.52 176.60 3hq4 h ALA 322 N 0.85 1.02 -0.30 6.16 0.00 -1.01 -1.47 119.26 124.50 3hq4 h ALA 322 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hq4 h ALA 322 Cb 0.73 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hq4 h ALA 322 CO 0.06 0.66 0.17 1.96 0.00 0.00 0.00 179.25 182.11 3hq4 h GLN 323 N 1.11 0.35 -0.38 0.00 1.08 -0.87 -2.32 115.11 114.07 3hq4 h GLN 323 Ca 0.24 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.50 3hq4 h GLN 323 Cb 0.29 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.55 3hq4 h GLN 323 CO -0.01 0.23 -0.21 1.25 -0.95 0.00 0.00 178.83 179.14 3hq4 h LEU 324 N 0.36 -0.69 -0.81 1.46 5.85 -0.71 -1.93 115.31 118.84 3hq4 h LEU 324 Ca 0.12 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 3hq4 h LEU 324 Cb -0.00 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hq4 h LEU 324 CO -0.05 -0.24 -0.31 0.58 -0.34 0.00 0.00 178.44 178.08 3hq4 h VAL 325 N -0.14 1.28 -0.60 1.05 2.07 -1.26 0.17 116.25 118.82 3hq4 h VAL 325 Ca 0.19 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3hq4 h VAL 325 Cb 0.43 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3hq4 h VAL 325 CO -0.47 0.45 0.32 0.03 0.02 0.00 0.00 177.57 177.91 3hq4 h ARG 326 N 0.46 0.84 -0.50 1.57 3.08 -1.23 -1.09 114.38 117.52 3hq4 h ARG 326 Ca 0.06 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 3hq4 h ARG 326 Cb 0.77 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3hq4 h ARG 326 CO 0.06 0.65 -0.18 1.15 -1.07 0.00 0.00 179.97 180.58 3hq4 h THR 327 N 0.81 1.27 -0.31 2.04 2.02 -1.03 -1.89 112.91 115.82 3hq4 h THR 327 Ca 0.21 -1.34 0.07 0.00 0.77 0.00 0.00 66.41 66.12 3hq4 h THR 327 Cb 0.06 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 3hq4 h THR 327 CO -0.03 0.47 -0.18 0.25 0.37 0.00 0.00 175.52 176.39 3hq4 h LEU 328 N 0.86 -0.60 -0.57 2.58 5.85 -0.52 0.19 115.31 123.10 3hq4 h LEU 328 Ca 0.12 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3hq4 h LEU 328 Cb 0.75 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3hq4 h LEU 328 CO 0.06 -0.22 0.12 0.00 -0.34 0.00 0.00 178.44 178.06 3hq4 h ALA 329 N 1.06 0.76 -0.03 1.25 0.00 -0.98 -0.70 119.26 120.61 3hq4 h ALA 329 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hq4 h ALA 329 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hq4 h ALA 329 CO -0.40 0.48 0.01 -0.92 0.00 0.00 0.00 179.25 178.42 3hq4 h TYR 330 N 0.83 0.05 -0.53 0.00 3.20 -1.18 -1.07 116.97 118.27 3hq4 h TYR 330 Ca 0.18 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3hq4 h TYR 330 Cb 0.38 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 3hq4 h TYR 330 CO 0.03 0.22 0.20 1.25 -1.64 0.00 0.00 178.16 178.23 3hq4 h LEU 331 N -0.13 0.22 -0.76 2.82 5.85 -0.38 -2.84 115.31 120.08 3hq4 h LEU 331 Ca 0.01 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3hq4 h LEU 331 Cb 0.20 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hq4 h LEU 331 CO -0.00 0.15 -0.08 0.00 -0.34 0.00 0.00 178.44 178.17 3hq4 h ALA 332 N 1.35 0.95 0.00 1.25 0.00 -0.95 -3.03 119.26 118.84 3hq4 h ALA 332 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hq4 h ALA 332 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hq4 h ALA 332 CO -0.25 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3hq4 n GLU 333 N -4.17 0.96 0.00 0.00 1.02 -0.42 -5.10 120.64 112.92 3hq4 n GLU 333 Ca 0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 3hq4 n GLU 333 Cb 0.36 -1.14 0.10 0.00 -0.02 0.00 0.00 31.44 30.74 3hq4 n GLU 333 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59