#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 -0.80 -0.01 -5.12 0.00 -1.26 -3.88 121.76 110.69 3hq4 s ALA 2 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 3hq4 s ALA 2 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3hq4 s ALA 2 CO 0.00 -0.51 1.83 0.08 0.00 0.00 0.00 175.76 177.17 3hq4 s VAL 3 N 2.04 3.27 -0.37 0.00 1.01 0.18 -4.87 120.40 121.66 3hq4 s VAL 3 Ca -0.04 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 3hq4 s VAL 3 Cb -0.11 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hq4 s VAL 3 CO -0.10 -0.03 1.21 -0.54 0.00 0.00 0.00 175.10 175.63 3hq4 s LYS 4 N 4.32 3.86 -0.11 2.72 1.02 -1.26 -0.73 119.74 129.55 3hq4 s LYS 4 Ca 0.82 0.96 -0.04 0.00 0.02 0.00 0.00 55.97 57.74 3hq4 s LYS 4 Cb -0.38 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 3hq4 s LYS 4 CO 0.36 -1.19 0.03 0.08 -0.92 0.00 0.00 175.35 173.71 3hq4 s VAL 5 N 4.33 4.53 -0.07 3.17 1.01 0.13 -0.53 120.40 132.97 3hq4 s VAL 5 Ca 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 3hq4 s VAL 5 Cb -0.12 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hq4 s VAL 5 CO 0.25 0.58 0.02 0.00 0.00 0.00 0.00 175.10 175.94 3hq4 s ALA 6 N -0.60 3.36 -0.21 5.51 0.00 0.31 -1.31 121.76 128.82 3hq4 s ALA 6 Ca 0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 3hq4 s ALA 6 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 3hq4 s ALA 6 CO 0.02 0.61 0.02 0.42 0.00 0.00 0.00 175.76 176.83 3hq4 s ILE 7 N -0.95 4.08 -0.30 0.00 1.01 -0.73 -0.16 121.20 124.14 3hq4 s ILE 7 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 3hq4 s ILE 7 Cb -0.11 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3hq4 s ILE 7 CO 0.04 0.40 0.14 0.21 0.00 0.00 0.00 174.94 175.74 3hq4 s ASN 8 N 1.16 5.48 0.00 3.58 2.47 -0.60 -0.21 114.94 126.81 3hq4 s ASN 8 Ca 0.03 -0.51 0.00 0.00 0.42 0.00 0.00 52.86 52.80 3hq4 s ASN 8 Cb -0.14 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 3hq4 s ASN 8 CO 0.02 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.83 3hq4 n GLY 9 N 4.97 -0.45 2.75 1.21 0.00 0.14 -0.65 105.19 113.15 3hq4 n GLY 9 Ca -0.14 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 0.67 2.62 -1.20 1.61 7.35 -1.25 -3.85 117.46 123.41 3hq4 n PHE 10 Ca 0.00 -2.31 0.00 0.00 -0.76 0.00 0.00 57.45 54.38 3hq4 n PHE 10 Cb 0.00 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 38.55 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 0.00 1.23 0.31 7.13 0.00 -1.26 -4.49 105.19 108.12 3hq4 n GLY 11 Ca 0.52 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.24 -0.30 1.61 2.47 -1.92 -0.81 114.38 115.19 3hq4 h ARG 12 Ca 0.00 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 3hq4 h ARG 12 Cb 0.00 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3hq4 h ARG 12 CO 0.00 -0.16 -0.14 0.82 0.56 0.00 0.00 179.97 181.04 3hq4 h ILE 13 N -0.25 1.29 -0.63 2.04 1.08 -1.91 -2.30 117.51 116.83 3hq4 h ILE 13 Ca 0.16 -1.24 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 3hq4 h ILE 13 Cb 0.51 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 3hq4 h ILE 13 CO -0.49 0.40 0.26 1.23 -0.69 0.00 0.00 178.15 178.86 3hq4 h GLY 14 N 0.38 1.01 1.12 5.37 0.00 -1.62 0.12 103.07 109.45 3hq4 h GLY 14 Ca 0.07 -0.54 -0.20 0.00 0.00 0.00 0.00 47.33 46.65 3hq4 h GLY 14 CO 0.04 0.51 -0.67 3.21 0.00 0.00 0.00 176.54 179.64 3hq4 h ARG 15 N 0.88 0.78 -0.01 4.80 3.08 -1.17 -1.20 114.38 121.55 3hq4 h ARG 15 Ca 0.21 -0.59 -0.13 0.00 0.07 0.00 0.00 59.98 59.54 3hq4 h ARG 15 Cb 0.19 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3hq4 h ARG 15 CO -0.02 1.21 -0.58 -0.07 -1.07 0.00 0.00 179.97 179.44 3hq4 h LEU 16 N 0.52 0.05 -0.95 3.04 3.38 -1.29 -1.91 115.31 118.15 3hq4 h LEU 16 Ca -0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hq4 h LEU 16 Cb 1.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3hq4 h LEU 16 CO 0.14 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.38 3hq4 h ALA 17 N 1.38 1.14 -0.03 1.53 0.00 -0.61 -0.74 119.26 121.92 3hq4 h ALA 17 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hq4 h ALA 17 Cb 1.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3hq4 h ALA 17 CO 0.08 0.57 -0.03 0.35 0.00 0.00 0.00 179.25 180.22 3hq4 h PHE 18 N 0.81 -0.07 -0.54 0.00 3.57 -0.78 0.51 116.94 120.43 3hq4 h PHE 18 Ca 0.17 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3hq4 h PHE 18 Cb 0.36 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 3hq4 h PHE 18 CO 0.02 -0.05 0.13 0.00 -2.23 0.00 0.00 178.31 176.18 3hq4 h ARG 19 N -0.04 0.26 -0.69 1.11 3.08 -0.89 -2.25 114.38 114.96 3hq4 h ARG 19 Ca 0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3hq4 h ARG 19 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3hq4 h ARG 19 CO -0.06 0.17 0.18 -0.09 -1.07 0.00 0.00 179.97 179.10 3hq4 h ARG 20 N 0.27 1.10 0.00 0.04 9.65 -0.79 -2.89 114.38 121.75 3hq4 h ARG 20 Ca 0.28 -0.25 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3hq4 h ARG 20 Cb 0.38 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 3hq4 h ARG 20 CO -0.34 0.96 -0.17 0.82 2.80 0.00 0.00 179.97 184.03 3hq4 h ILE 21 N 1.04 0.45 0.00 1.20 2.04 -0.33 -2.44 117.51 119.48 3hq4 h ILE 21 Ca 0.22 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3hq4 h ILE 21 Cb 0.34 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3hq4 h ILE 21 CO -0.00 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3hq4 n GLN 22 N -3.37 0.01 -0.18 2.37 1.13 -0.97 -1.99 117.38 114.38 3hq4 n GLN 22 Ca -0.00 0.48 0.06 0.00 -1.94 0.00 0.00 57.00 55.60 3hq4 n GLN 22 Cb 0.37 -1.54 0.16 0.00 0.11 0.00 0.00 30.24 29.34 3hq4 n GLN 22 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hq4 n GLU 23 N -1.57 2.85 -3.88 -1.09 1.02 -0.92 -4.95 120.64 112.10 3hq4 n GLU 23 Ca 0.00 -2.06 -0.30 0.00 -0.02 0.00 0.00 57.16 54.78 3hq4 n GLU 23 Cb 0.02 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.00 1.46 0.40 2.62 1.01 -0.84 -5.10 120.40 118.94 3hq4 s VAL 24 Ca 0.24 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 3hq4 s VAL 24 Cb 0.12 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 3hq4 s VAL 24 CO 0.16 -0.47 1.48 -1.61 0.00 0.00 0.00 175.10 174.67 3hq4 s GLU 25 N 1.35 4.00 -1.62 2.72 0.41 -1.26 -1.60 118.70 122.70 3hq4 s GLU 25 Ca 0.05 2.56 0.00 0.00 -0.41 0.00 0.00 54.97 57.17 3hq4 s GLU 25 Cb -0.18 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 3hq4 s GLU 25 CO -0.14 -0.62 0.00 0.41 -0.49 0.00 0.00 175.26 174.42 3hq4 n GLY 26 N 0.47 1.14 3.13 -1.39 0.00 -1.25 -4.94 105.19 102.35 3hq4 n GLY 26 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3hq4 n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hq4 s LEU 27 N -3.89 1.94 -0.09 0.99 2.96 -0.63 0.50 118.68 120.46 3hq4 s LEU 27 Ca 0.00 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3hq4 s LEU 27 Cb 0.00 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.47 3hq4 s LEU 27 CO 0.00 0.08 0.11 -1.61 -1.32 0.00 0.00 176.35 173.61 3hq4 s GLU 28 N 0.73 0.01 -0.20 1.98 2.02 0.09 -4.78 118.70 118.55 3hq4 s GLU 28 Ca -0.11 0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.95 3hq4 s GLU 28 Cb -0.16 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.36 3hq4 s GLU 28 CO 0.01 -0.40 1.31 0.08 0.02 0.00 0.00 175.26 176.28 3hq4 s VAL 29 N 2.22 4.18 -0.06 2.63 1.01 -1.26 0.18 120.40 129.31 3hq4 s VAL 29 Ca 0.04 1.40 0.19 0.00 0.00 0.00 0.00 61.98 63.61 3hq4 s VAL 29 Cb -0.13 -4.00 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 3hq4 s VAL 29 CO -0.06 -0.23 0.36 1.33 0.00 0.00 0.00 175.10 176.50 3hq4 n VAL 30 N 5.66 0.24 -3.78 2.92 0.24 -0.43 -4.82 118.33 118.37 3hq4 n VAL 30 Ca 0.15 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3hq4 n VAL 30 Cb 0.45 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.69 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 -3.20 -0.62 0.10 2.33 0.00 -1.23 -1.17 121.76 117.96 3hq4 s ALA 31 Ca -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.93 3hq4 s ALA 31 Cb 0.11 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 3hq4 s ALA 31 CO 0.81 -0.38 -0.14 0.08 0.00 0.00 0.00 175.76 176.14 3hq4 s VAL 32 N -2.36 1.19 -0.02 0.00 1.01 -0.22 -1.78 120.40 118.23 3hq4 s VAL 32 Ca -0.06 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.38 3hq4 s VAL 32 Cb -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3hq4 s VAL 32 CO -0.02 -0.37 -0.08 0.21 0.00 0.00 0.00 175.10 174.84 3hq4 s ASN 33 N -2.19 1.06 0.00 3.32 2.47 0.70 -0.60 114.94 119.70 3hq4 s ASN 33 Ca 0.04 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.16 3hq4 s ASN 33 Cb -0.06 -0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.49 3hq4 s ASN 33 CO 0.02 0.07 0.00 -0.67 -3.72 0.00 0.00 177.10 172.80 3hq4 n ASP 34 N 3.21 0.00 -2.07 -4.21 2.03 -0.68 0.25 116.55 115.07 3hq4 n ASP 34 Ca -0.17 -0.31 -0.26 0.00 0.52 0.00 0.00 54.79 54.57 3hq4 n ASP 34 Cb 0.55 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.98 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 5.39 -3.89 -2.67 4.77 -1.26 -3.56 117.00 115.78 3hq4 n LEU 35 Ca 0.00 -4.68 -0.08 0.00 -0.03 0.00 0.00 56.01 51.22 3hq4 n LEU 35 Cb 0.00 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3hq4 n LEU 35 CO 0.00 2.01 0.40 0.28 -1.33 0.00 0.00 177.39 178.75 3hq4 s THR 36 N -4.64 0.00 0.88 -5.08 -1.32 -1.26 -5.11 115.64 99.10 3hq4 s THR 36 Ca 0.53 -1.12 -0.13 0.00 -1.21 0.00 0.00 61.69 59.76 3hq4 s THR 36 Cb 0.43 -2.27 0.14 0.00 -1.51 0.00 0.00 72.50 69.28 3hq4 s THR 36 CO 0.03 0.00 1.24 1.51 -2.21 0.00 0.00 174.62 175.19 3hq4 s ASP 37 N -2.99 3.83 0.41 8.08 1.47 -1.26 -4.73 116.67 121.47 3hq4 s ASP 37 Ca 0.16 0.48 0.19 0.00 1.18 0.00 0.00 52.55 54.55 3hq4 s ASP 37 Cb -0.04 -0.75 0.89 0.00 -0.34 0.00 0.00 42.92 42.67 3hq4 s ASP 37 CO 0.09 -2.30 1.85 0.44 0.68 0.00 0.00 175.17 175.93 3hq4 h ASP 38 N -1.31 0.00 -0.10 2.11 3.32 -1.97 -2.60 116.42 115.87 3hq4 h ASP 38 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hq4 h ASP 38 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hq4 h ASP 38 CO 0.51 0.31 0.06 -0.78 -1.72 0.00 0.00 179.24 177.61 3hq4 h ASP 39 N 0.00 0.13 -0.46 6.45 3.58 -1.95 0.61 116.42 124.78 3hq4 h ASP 39 Ca -0.00 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3hq4 h ASP 39 Cb 0.69 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 3hq4 h ASP 39 CO 0.04 0.19 0.30 -0.03 -2.88 0.00 0.00 179.24 176.85 3hq4 h MET 40 N 0.07 0.58 -0.05 0.28 4.05 -1.90 -2.24 114.93 115.72 3hq4 h MET 40 Ca 0.04 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3hq4 h MET 40 Cb 0.09 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3hq4 h MET 40 CO -0.01 0.39 0.01 -0.07 0.23 0.00 0.00 176.91 177.46 3hq4 h LEU 41 N 0.60 0.01 -0.55 3.39 3.38 -1.15 -1.12 115.31 119.87 3hq4 h LEU 41 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hq4 h LEU 41 Cb -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hq4 h LEU 41 CO -0.05 0.02 0.32 0.00 0.09 0.00 0.00 178.44 178.82 3hq4 h ALA 42 N 1.03 0.71 -0.40 1.53 0.00 -0.86 -1.84 119.26 119.44 3hq4 h ALA 42 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hq4 h ALA 42 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hq4 h ALA 42 CO -0.03 0.21 0.24 1.25 0.00 0.00 0.00 179.25 180.92 3hq4 h HIS 43 N 0.74 0.53 0.00 0.00 -0.00 -1.07 -1.48 115.15 113.88 3hq4 h HIS 43 Ca 0.20 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 3hq4 h HIS 43 Cb 0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3hq4 h HIS 43 CO -0.02 0.39 -0.23 -0.07 -0.00 0.00 0.00 177.93 178.00 3hq4 h LEU 44 N 0.52 0.00 -0.05 0.26 3.38 -1.08 -1.78 115.31 116.56 3hq4 h LEU 44 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hq4 h LEU 44 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hq4 h LEU 44 CO -0.03 0.23 -0.25 0.25 0.09 0.00 0.00 178.44 178.74 3hq4 h LEU 45 N 0.00 0.31 -0.46 1.67 5.85 -0.80 -3.35 115.31 118.53 3hq4 h LEU 45 Ca -0.00 -0.65 -0.02 0.00 0.84 0.00 0.00 57.88 58.04 3hq4 h LEU 45 Cb 0.65 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3hq4 h LEU 45 CO 0.03 0.91 0.21 0.11 -0.34 0.00 0.00 178.44 179.36 3hq4 h LYS 46 N -0.28 0.68 -5.30 1.25 1.57 -1.07 -3.37 116.57 110.05 3hq4 h LYS 46 Ca -0.02 -0.11 -0.66 0.00 -1.87 0.00 0.00 60.65 57.99 3hq4 h LYS 46 Cb 0.90 -0.12 -0.29 0.00 0.08 0.00 0.00 32.23 32.80 3hq4 h LYS 46 CO 0.05 0.59 -0.80 0.71 -0.57 0.00 0.00 179.45 179.42 3hq4 s TYR 47 N -5.65 2.74 -0.06 -1.35 2.02 -0.69 -0.33 117.35 114.02 3hq4 s TYR 47 Ca -0.13 -0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 55.71 3hq4 s TYR 47 Cb 0.11 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3hq4 s TYR 47 CO 0.76 -0.32 0.11 0.34 -1.57 0.00 0.00 175.55 174.87 3hq4 s ASP 48 N 0.44 0.96 0.15 2.29 -1.08 -1.24 -4.59 116.67 113.60 3hq4 s ASP 48 Ca -0.12 0.20 -0.22 0.00 -0.52 0.00 0.00 52.55 51.89 3hq4 s ASP 48 Cb -0.16 0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.38 3hq4 s ASP 48 CO 0.05 -0.25 1.64 0.74 0.52 0.00 0.00 175.17 177.88 3hq4 h THR 49 N 6.40 0.46 0.01 1.71 2.02 -1.96 -1.06 112.91 120.49 3hq4 h THR 49 Ca -0.12 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.71 3hq4 h THR 49 Cb 1.12 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3hq4 h THR 49 CO 0.15 0.00 -2.14 0.23 0.37 0.00 0.00 175.52 174.13 3hq4 n MET 50 N -5.35 0.67 0.00 6.66 2.81 -1.26 -4.41 117.12 116.23 3hq4 n MET 50 Ca -0.01 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 3hq4 n MET 50 Cb 0.27 -1.62 0.28 0.00 -0.71 0.00 0.00 33.22 31.43 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 -2.92 0.38 0.00 0.03 1.13 -1.19 -4.89 117.38 109.91 3hq4 n GLN 51 Ca -0.28 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.55 3hq4 n GLN 51 Cb 1.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.96 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 1.43 -1.21 3.77 1.08 0.00 -0.41 -4.96 105.19 104.90 3hq4 n GLY 52 Ca 0.08 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.20 3.97 0.31 1.61 0.52 -1.26 -3.72 118.95 118.17 3hq4 s ARG 53 Ca 0.00 2.50 -0.30 0.00 -0.52 0.00 0.00 55.73 57.41 3hq4 s ARG 53 Cb 0.00 -2.86 -0.12 0.00 0.52 0.00 0.00 34.95 32.50 3hq4 s ARG 53 CO 0.00 -0.62 1.57 0.34 0.02 0.00 0.00 175.30 176.61 3hq4 n PHE 54 N 0.24 2.88 0.98 -0.53 7.35 0.55 -4.88 117.46 124.04 3hq4 n PHE 54 Ca 0.02 0.30 0.11 0.00 -0.76 0.00 0.00 57.45 57.13 3hq4 n PHE 54 Cb 0.40 -2.58 0.55 0.00 0.35 0.00 0.00 39.48 38.20 3hq4 n PHE 54 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 3hq4 n THR 55 N 1.74 0.33 0.00 -2.13 5.66 -1.26 -4.81 114.28 113.80 3hq4 n THR 55 Ca 0.07 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3hq4 n THR 55 Cb 0.37 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 3hq4 n THR 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hq4 n GLY 56 N 0.76 4.60 3.27 1.09 0.00 -1.26 -5.16 105.19 108.49 3hq4 n GLY 56 Ca 0.09 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 4.55 3.20 -0.11 1.61 0.41 -1.26 -5.03 118.70 122.07 3hq4 s GLU 57 Ca 0.00 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 53.81 3hq4 s GLU 57 Cb 0.00 -2.54 0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3hq4 s GLU 57 CO 0.00 0.10 -0.17 0.08 -0.49 0.00 0.00 175.26 174.77 3hq4 s VAL 58 N 0.60 1.65 -0.09 2.63 1.01 -1.26 -1.94 120.40 123.01 3hq4 s VAL 58 Ca -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3hq4 s VAL 58 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3hq4 s VAL 58 CO 0.03 0.47 -0.14 -0.70 0.00 0.00 0.00 175.10 174.76 3hq4 s GLU 59 N 0.89 2.03 -0.24 2.72 2.12 0.25 -4.96 118.70 121.52 3hq4 s GLU 59 Ca -0.08 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 3hq4 s GLU 59 Cb -0.15 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.53 3hq4 s GLU 59 CO -0.01 -0.00 1.62 0.08 -0.54 0.00 0.00 175.26 176.41 3hq4 s VAL 60 N 0.79 3.69 0.37 3.70 1.01 -1.26 0.84 120.40 129.54 3hq4 s VAL 60 Ca -0.11 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.67 3hq4 s VAL 60 Cb -0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3hq4 s VAL 60 CO 0.02 -0.32 0.11 0.68 0.00 0.00 0.00 175.10 175.59 3hq4 s VAL 61 N 5.32 0.73 0.00 2.92 -7.23 -0.88 -4.93 120.40 116.32 3hq4 s VAL 61 Ca 0.71 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3hq4 s VAL 61 Cb -0.24 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3hq4 s VAL 61 CO 0.29 0.00 0.85 -0.67 -0.31 0.00 0.00 175.10 175.27 3hq4 n ASP 62 N -1.06 0.00 -0.14 4.85 2.03 -1.26 -2.52 116.55 118.45 3hq4 n ASP 62 Ca -0.04 0.85 -0.02 0.00 0.52 0.00 0.00 54.79 56.10 3hq4 n ASP 62 Cb 0.65 -0.41 0.21 0.00 -0.72 0.00 0.00 41.12 40.86 3hq4 n ASP 62 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3hq4 h GLY 63 N 0.00 0.91 0.00 0.27 0.00 -1.95 -3.48 103.07 98.81 3hq4 h GLY 63 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hq4 h GLY 63 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.60 3hq4 n GLY 64 N -0.99 -0.75 3.15 4.60 0.00 -1.05 -1.24 105.19 108.91 3hq4 n GLY 64 Ca 0.05 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 2.02 0.95 -0.25 1.61 -0.71 -0.01 -2.08 117.98 119.51 3hq4 s PHE 65 Ca 0.00 -0.64 -0.09 0.00 -1.04 0.00 0.00 56.93 55.16 3hq4 s PHE 65 Cb 0.00 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 3hq4 s PHE 65 CO 0.00 -0.04 0.13 0.50 -1.34 0.00 0.00 175.22 174.47 3hq4 s ARG 66 N -2.57 3.87 -0.15 1.99 3.52 0.25 -0.42 118.95 125.44 3hq4 s ARG 66 Ca 0.02 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 3hq4 s ARG 66 Cb -0.04 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3hq4 s ARG 66 CO -0.00 -0.10 -0.10 0.08 -0.81 0.00 0.00 175.30 174.36 3hq4 s VAL 67 N 1.47 1.33 -1.50 7.11 1.01 -0.76 0.87 120.40 129.93 3hq4 s VAL 67 Ca 0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3hq4 s VAL 67 Cb -0.15 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 34.94 3hq4 s VAL 67 CO 0.07 0.32 0.64 0.59 0.00 0.00 0.00 175.10 176.72 3hq4 n ASN 68 N 4.83 -1.97 -1.19 3.32 5.03 -0.82 -1.91 115.26 122.55 3hq4 n ASN 68 Ca -0.14 -0.95 -0.12 0.00 0.87 0.00 0.00 54.58 54.24 3hq4 n ASN 68 Cb 0.49 -3.23 -0.02 0.00 -1.02 0.00 0.00 39.78 36.00 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 -1.73 0.35 2.84 7.41 0.00 -1.26 -5.03 105.19 107.77 3hq4 n GLY 69 Ca -0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.05 0.10 -0.10 1.61 1.02 -0.80 -5.13 119.74 112.38 3hq4 s LYS 70 Ca 0.00 0.04 -0.22 0.00 0.02 0.00 0.00 55.97 55.81 3hq4 s LYS 70 Cb 0.00 -0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 3hq4 s LYS 70 CO 0.00 -0.06 0.66 -2.00 -0.92 0.00 0.00 175.35 173.04 3hq4 s GLU 71 N 0.46 4.37 -0.18 1.68 2.12 -1.26 -1.83 118.70 124.06 3hq4 s GLU 71 Ca -0.04 0.78 -0.02 0.00 0.36 0.00 0.00 54.97 56.05 3hq4 s GLU 71 Cb -0.06 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 3hq4 s GLU 71 CO -0.01 -0.00 -0.09 0.08 -0.54 0.00 0.00 175.26 174.70 3hq4 s VAL 72 N 1.06 3.13 0.13 3.70 1.01 0.44 -4.84 120.40 125.04 3hq4 s VAL 72 Ca 0.34 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3hq4 s VAL 72 Cb -0.17 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 3hq4 s VAL 72 CO 0.15 0.47 0.86 -0.54 0.00 0.00 0.00 175.10 176.05 3hq4 s LYS 73 N 1.04 4.65 0.04 2.72 -0.14 -0.32 -0.83 119.74 126.89 3hq4 s LYS 73 Ca -0.00 1.29 0.08 0.00 -1.36 0.00 0.00 55.97 55.98 3hq4 s LYS 73 Cb -0.15 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 3hq4 s LYS 73 CO -0.01 0.37 -0.21 0.45 -0.76 0.00 0.00 175.35 175.19 3hq4 s SER 74 N -0.50 3.55 0.08 2.83 0.15 -0.37 -1.06 113.70 118.37 3hq4 s SER 74 Ca 0.41 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.62 3hq4 s SER 74 Cb -0.23 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.56 3hq4 s SER 74 CO 0.28 0.26 -0.13 -0.36 1.20 0.00 0.00 173.24 174.49 3hq4 s PHE 75 N -0.86 1.16 -0.15 3.44 0.40 0.23 -4.71 117.98 117.48 3hq4 s PHE 75 Ca 0.13 -0.51 0.17 0.00 -0.60 0.00 0.00 56.93 56.12 3hq4 s PHE 75 Cb -0.10 -0.64 0.37 0.00 0.51 0.00 0.00 43.02 43.15 3hq4 s PHE 75 CO 0.04 0.04 1.23 0.45 0.70 0.00 0.00 175.22 177.69 3hq4 n SER 76 N 1.06 2.69 -4.62 1.36 2.88 -1.26 -1.68 113.62 114.05 3hq4 n SER 76 Ca -0.20 -3.16 -0.43 0.00 -1.33 0.00 0.00 58.87 53.76 3hq4 n SER 76 Cb 0.55 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 3hq4 n SER 76 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3hq4 s GLU 77 N -2.91 3.84 0.44 -1.46 -6.30 -1.23 -4.59 118.70 106.49 3hq4 s GLU 77 Ca 0.35 0.88 0.27 0.00 -2.50 0.00 0.00 54.97 53.97 3hq4 s GLU 77 Cb 0.31 -3.87 0.73 0.00 0.00 0.00 0.00 34.13 31.30 3hq4 s GLU 77 CO 0.04 -1.22 1.75 -1.00 0.02 0.00 0.00 175.26 174.85 3hq4 h PRO 78 N 9.07 0.00 -5.01 4.30 0.13 -1.96 -3.42 132.00 135.11 3hq4 h PRO 78 Ca -0.23 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.23 3hq4 h PRO 78 Cb 1.07 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.03 3hq4 h PRO 78 CO 1.08 0.00 -0.19 0.34 -0.23 0.00 0.00 178.00 179.00 3hq4 s ASP 79 N -5.80 6.22 0.36 1.44 2.15 -1.26 -4.95 116.67 114.83 3hq4 s ASP 79 Ca 0.05 -0.32 0.08 0.00 0.43 0.00 0.00 52.55 52.79 3hq4 s ASP 79 Cb 0.07 -2.23 0.80 0.00 -0.30 0.00 0.00 42.92 41.27 3hq4 s ASP 79 CO 0.61 -0.46 1.91 0.00 -0.17 0.00 0.00 175.17 177.06 3hq4 h ALA 80 N 8.56 1.80 0.00 3.66 0.00 -1.92 -1.98 119.26 129.37 3hq4 h ALA 80 Ca -0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hq4 h ALA 80 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hq4 h ALA 80 CO 0.75 0.02 -0.05 0.66 0.00 0.00 0.00 179.25 180.63 3hq4 h SER 81 N 0.70 0.00 -0.33 0.00 4.64 -1.93 -2.12 113.55 114.50 3hq4 h SER 81 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3hq4 h SER 81 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hq4 h SER 81 CO -0.15 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 3hq4 n LYS 82 N -3.63 1.78 -3.22 4.77 4.76 -0.74 -4.36 118.16 117.51 3hq4 n LYS 82 Ca -0.02 -1.20 -0.35 0.00 -2.87 0.00 0.00 58.31 53.87 3hq4 n LYS 82 Cb 0.16 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.00 4.26 -1.29 -0.35 1.43 -0.80 -4.96 118.68 115.97 3hq4 s LEU 83 Ca 0.22 1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 3hq4 s LEU 83 Cb 0.12 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.82 3hq4 s LEU 83 CO 0.15 -0.01 2.47 -0.81 0.23 0.00 0.00 176.35 178.38 3hq4 n PRO 84 N 0.41 4.37 0.03 1.29 -0.04 -1.26 -4.54 135.00 135.26 3hq4 n PRO 84 Ca -0.02 -3.26 -0.10 0.00 -0.04 0.00 0.00 63.50 60.08 3hq4 n PRO 84 Cb 0.52 -2.61 0.03 0.00 -0.04 0.00 0.00 33.50 31.40 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 4.52 0.63 0.34 0.54 -0.00 -1.86 -1.61 115.95 118.51 3hq4 h TRP 85 Ca 0.70 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.89 59.31 3hq4 h TRP 85 Cb 0.33 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 3hq4 h TRP 85 CO 1.63 1.01 -0.16 1.57 -0.00 0.00 0.00 178.44 182.49 3hq4 h LYS 86 N 0.34 -0.44 -0.90 0.49 2.10 -1.00 -0.14 116.57 117.03 3hq4 h LYS 86 Ca -0.02 0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.75 3hq4 h LYS 86 Cb 1.24 0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.61 3hq4 h LYS 86 CO 0.12 -0.20 0.58 0.22 -2.00 0.00 0.00 179.45 178.17 3hq4 h ASP 87 N -0.61 0.82 1.40 7.07 3.58 -1.84 -1.55 116.42 125.29 3hq4 h ASP 87 Ca -0.05 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3hq4 h ASP 87 Cb 0.44 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3hq4 h ASP 87 CO 0.08 0.49 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.65 3hq4 h LEU 88 N 0.91 0.00 0.08 2.28 3.38 -1.17 -3.48 115.31 117.31 3hq4 h LEU 88 Ca 0.41 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3hq4 h LEU 88 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hq4 h LEU 88 CO -0.17 0.03 -0.11 0.59 0.09 0.00 0.00 178.44 178.86 3hq4 n ASN 89 N -2.40 -2.21 -4.65 -0.43 3.02 -0.14 -4.95 115.26 103.50 3hq4 n ASN 89 Ca 0.04 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 3hq4 n ASN 89 Cb 0.46 -1.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.26 3hq4 n ASN 89 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hq4 n ILE 90 N -3.68 0.67 0.01 2.41 2.08 -0.75 -4.81 119.36 115.30 3hq4 n ILE 90 Ca -0.03 -0.22 -0.09 0.00 0.56 0.00 0.00 62.75 62.97 3hq4 n ILE 90 Cb 0.53 -2.38 -0.07 0.00 -0.75 0.00 0.00 39.64 36.97 3hq4 n ILE 90 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hq4 h ASP 91 N 11.71 -0.12 -3.43 4.38 3.32 -1.17 -2.81 116.42 128.29 3hq4 h ASP 91 Ca -0.48 -0.41 -0.46 0.00 0.02 0.00 0.00 57.03 55.70 3hq4 h ASP 91 Cb 1.24 0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.48 3hq4 h ASP 91 CO 0.95 0.51 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.49 3hq4 s VAL 92 N -2.83 0.82 -0.20 -1.35 1.01 -0.78 -1.81 120.40 115.26 3hq4 s VAL 92 Ca -0.11 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 3hq4 s VAL 92 Cb -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3hq4 s VAL 92 CO 0.43 0.29 0.59 -0.69 0.00 0.00 0.00 175.10 175.72 3hq4 s VAL 93 N 0.83 5.05 -0.46 2.92 1.01 0.02 -0.53 120.40 129.24 3hq4 s VAL 93 Ca -0.12 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.75 3hq4 s VAL 93 Cb -0.15 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hq4 s VAL 93 CO 0.02 0.13 0.72 -0.76 0.00 0.00 0.00 175.10 175.21 3hq4 s LEU 94 N 1.85 4.40 -0.65 3.92 1.43 0.77 -0.58 118.68 129.82 3hq4 s LEU 94 Ca 0.27 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 3hq4 s LEU 94 Cb -0.16 -2.82 0.11 0.00 0.03 0.00 0.00 46.19 43.36 3hq4 s LEU 94 CO 0.10 -0.88 0.78 -0.70 0.23 0.00 0.00 176.35 175.88 3hq4 s GLU 95 N 3.09 3.14 -0.13 1.70 2.56 0.11 -1.56 118.70 127.61 3hq4 s GLU 95 Ca 0.26 -1.40 0.17 0.00 0.00 0.00 0.00 54.97 54.00 3hq4 s GLU 95 Cb -0.13 -4.34 0.29 0.00 2.00 0.00 0.00 34.13 31.95 3hq4 s GLU 95 CO 0.20 -1.58 1.15 0.00 -0.56 0.00 0.00 175.26 174.47 3hq4 h THR 97 N 0.71 1.57 0.00 0.00 1.35 -1.77 -3.43 112.91 111.34 3hq4 h THR 97 Ca -0.00 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 3hq4 h THR 97 Cb 1.04 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 3hq4 h THR 97 CO 0.00 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 3hq4 n GLY 98 N 1.41 2.41 1.17 5.82 0.00 -1.26 -4.91 105.19 109.83 3hq4 n GLY 98 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.84 -2.72 1.61 0.99 -1.26 -4.44 117.46 110.47 3hq4 n PHE 99 Ca 0.00 -0.49 -0.03 0.00 -0.00 0.00 0.00 57.45 56.93 3hq4 n PHE 99 Cb 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 39.48 38.52 3hq4 n PHE 99 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3hq4 n TYR 100 N 1.37 1.47 -1.65 1.38 4.01 -1.26 -4.99 117.16 117.49 3hq4 n TYR 100 Ca 0.21 -2.16 -0.36 0.00 -0.16 0.00 0.00 57.90 55.44 3hq4 n TYR 100 Cb 0.57 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.61 4.57 -3.64 -0.72 -2.24 -1.26 -4.17 114.28 106.21 3hq4 n THR 101 Ca 0.12 -3.42 -0.08 0.00 -2.27 0.00 0.00 64.05 58.40 3hq4 n THR 101 Cb 0.82 -2.18 -0.07 0.00 -2.10 0.00 0.00 70.33 66.80 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 1.05 -0.37 0.14 3.42 2.15 -1.26 -2.43 116.67 119.37 3hq4 s ASP 102 Ca 0.61 0.70 -0.21 0.00 0.43 0.00 0.00 52.55 54.07 3hq4 s ASP 102 Cb 0.22 0.70 0.01 0.00 -0.30 0.00 0.00 42.92 43.55 3hq4 s ASP 102 CO -0.09 -0.14 1.66 0.50 -0.17 0.00 0.00 175.17 176.93 3hq4 h LYS 103 N 3.89 -0.14 -0.03 4.34 3.64 -1.16 0.24 116.57 127.35 3hq4 h LYS 103 Ca -0.27 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3hq4 h LYS 103 Cb 1.18 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3hq4 h LYS 103 CO 0.13 -0.09 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.78 3hq4 h ASP 104 N -0.14 0.05 -0.94 4.20 3.32 -1.96 -1.60 116.42 119.35 3hq4 h ASP 104 Ca 0.12 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.95 3hq4 h ASP 104 Cb 0.33 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 3hq4 h ASP 104 CO -0.30 0.36 0.58 0.11 -1.72 0.00 0.00 179.24 178.27 3hq4 h LYS 105 N -0.25 0.96 0.00 3.56 1.57 -1.83 -1.47 116.57 119.10 3hq4 h LYS 105 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hq4 h LYS 105 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hq4 h LYS 105 CO 0.00 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 3hq4 n ALA 106 N -2.36 2.18 0.02 3.86 0.00 0.80 -3.12 120.51 121.90 3hq4 n ALA 106 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3hq4 n ALA 106 Cb 0.27 -1.44 0.56 0.00 0.00 0.00 0.00 19.45 18.83 3hq4 n ALA 106 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hq4 h GLN 107 N 0.00 0.25 -1.49 0.00 5.75 -0.24 -2.55 115.11 116.83 3hq4 h GLN 107 Ca 0.00 -0.02 0.45 0.00 -0.15 0.00 0.00 58.65 58.94 3hq4 h GLN 107 Cb 0.58 -0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.98 3hq4 h GLN 107 CO 0.00 0.17 1.02 0.00 -2.65 0.00 0.00 178.83 177.37 3hq4 h ALA 108 N 1.78 3.14 -0.11 3.38 0.00 -1.68 0.24 119.26 126.01 3hq4 h ALA 108 Ca 0.19 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 3hq4 h ALA 108 Cb 0.42 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hq4 h ALA 108 CO -0.04 -1.68 -0.78 0.45 0.00 0.00 0.00 179.25 177.19 3hq4 h HIS 109 N 0.06 1.00 -0.45 0.00 3.86 -1.73 -2.33 115.15 115.56 3hq4 h HIS 109 Ca 0.80 -0.47 0.07 0.00 -1.16 0.00 0.00 60.37 59.62 3hq4 h HIS 109 Cb 2.85 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 31.11 3hq4 h HIS 109 CO -0.00 1.29 0.10 0.82 0.86 0.00 0.00 177.93 181.00 3hq4 h ILE 110 N 0.42 0.78 -0.46 2.45 1.08 -0.66 -1.80 117.51 119.31 3hq4 h ILE 110 Ca -0.07 -0.08 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3hq4 h ILE 110 Cb 1.42 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.63 3hq4 h ILE 110 CO 0.16 0.04 0.17 -0.33 -0.69 0.00 0.00 178.15 177.50 3hq4 h GLU 111 N 0.24 0.33 0.00 2.37 5.08 -1.34 -1.34 114.58 119.93 3hq4 h GLU 111 Ca 0.22 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hq4 h GLU 111 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hq4 h GLU 111 CO -0.28 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 3hq4 h ALA 112 N 1.30 1.00 0.00 3.43 0.00 -1.06 -3.45 119.26 120.48 3hq4 h ALA 112 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hq4 h ALA 112 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hq4 h ALA 112 CO -0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3hq4 n GLY 113 N -1.08 1.01 3.77 0.00 0.00 -0.51 -0.56 105.19 107.82 3hq4 n GLY 113 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.27 -0.00 4.61 0.00 -0.71 -4.18 121.76 122.75 3hq4 s ALA 114 Ca 0.00 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 3hq4 s ALA 114 Cb 0.00 -3.27 -0.27 0.00 0.00 0.00 0.00 23.12 19.57 3hq4 s ALA 114 CO 0.00 -0.07 1.03 0.87 0.00 0.00 0.00 175.76 177.59 3hq4 h LYS 115 N 3.38 0.42 -4.65 0.00 1.57 -1.51 -3.33 116.57 112.45 3hq4 h LYS 115 Ca -0.47 -0.56 -0.26 0.00 -1.87 0.00 0.00 60.65 57.50 3hq4 h LYS 115 Cb 1.21 0.18 -0.18 0.00 0.08 0.00 0.00 32.23 33.52 3hq4 h LYS 115 CO 0.65 1.21 -0.72 0.15 -0.57 0.00 0.00 179.45 180.18 3hq4 s LYS 116 N -2.90 0.69 -0.06 3.15 1.02 -0.75 -4.86 119.74 116.02 3hq4 s LYS 116 Ca -0.12 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 54.85 3hq4 s LYS 116 Cb 0.03 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.07 3hq4 s LYS 116 CO 0.85 0.03 -0.12 0.08 -0.92 0.00 0.00 175.35 175.27 3hq4 s VAL 117 N -2.40 1.08 -0.18 3.17 1.01 -0.42 -0.80 120.40 121.86 3hq4 s VAL 117 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3hq4 s VAL 117 Cb -0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3hq4 s VAL 117 CO -0.02 0.34 -0.10 -0.22 0.00 0.00 0.00 175.10 175.10 3hq4 s LEU 118 N 0.62 2.68 -0.07 3.92 2.96 0.26 -0.69 118.68 128.36 3hq4 s LEU 118 Ca -0.13 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 3hq4 s LEU 118 Cb -0.15 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3hq4 s LEU 118 CO 0.03 0.05 0.28 -0.63 -1.32 0.00 0.00 176.35 174.76 3hq4 s ILE 119 N 1.06 5.26 -0.40 6.68 1.01 0.55 0.06 121.20 135.43 3hq4 s ILE 119 Ca -0.00 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 3hq4 s ILE 119 Cb -0.15 -3.57 0.29 0.00 0.01 0.00 0.00 42.46 39.04 3hq4 s ILE 119 CO -0.02 0.58 1.98 -1.54 0.00 0.00 0.00 174.94 175.94 3hq4 n SER 120 N 2.08 6.49 -3.71 3.58 3.41 0.26 -0.66 113.62 125.08 3hq4 n SER 120 Ca -0.16 -3.23 -0.03 0.00 -0.26 0.00 0.00 58.87 55.19 3hq4 n SER 120 Cb 0.53 -1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.32 -1.81 0.64 7.33 0.00 -1.19 -4.90 121.76 119.51 3hq4 s ALA 121 Ca 0.39 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 3hq4 s ALA 121 Cb 0.31 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3hq4 s ALA 121 CO 0.00 -1.02 1.30 -2.14 0.00 0.00 0.00 175.76 173.90 3hq4 s PRO 122 N -3.06 2.62 0.05 0.00 0.02 -1.24 -4.24 135.00 129.15 3hq4 s PRO 122 Ca 0.12 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.24 3hq4 s PRO 122 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 3hq4 s PRO 122 CO 0.00 -1.55 -0.08 0.00 -0.33 0.00 0.00 177.00 175.04 3hq4 s ALA 123 N -1.38 0.65 0.34 -1.55 0.00 -1.26 -4.78 121.76 113.77 3hq4 s ALA 123 Ca 0.81 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 3hq4 s ALA 123 Cb -0.38 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3hq4 s ALA 123 CO 0.40 -0.06 0.57 0.95 0.00 0.00 0.00 175.76 177.63 3hq4 s THR 124 N -1.80 5.07 0.00 0.00 -4.23 -1.02 -4.89 115.64 108.76 3hq4 s THR 124 Ca -0.06 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 3hq4 s THR 124 Cb -0.07 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3hq4 s THR 124 CO -0.01 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3hq4 n GLY 125 N -1.57 1.67 2.92 3.99 0.00 -1.26 -0.58 105.19 110.36 3hq4 n GLY 125 Ca -0.03 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 3hq4 n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hq4 n ASP 126 N 0.00 3.26 -4.43 1.61 2.03 -1.26 -4.88 116.55 112.87 3hq4 n ASP 126 Ca 0.00 -2.51 -0.30 0.00 0.52 0.00 0.00 54.79 52.51 3hq4 n ASP 126 Cb 0.00 -1.06 -0.13 0.00 -0.72 0.00 0.00 41.12 39.22 3hq4 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hq4 s LEU 127 N 0.67 2.50 0.23 -2.67 1.43 -1.26 -5.03 118.68 114.55 3hq4 s LEU 127 Ca 0.48 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 3hq4 s LEU 127 Cb 0.12 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.83 3hq4 s LEU 127 CO 0.06 0.21 0.90 -0.54 0.23 0.00 0.00 176.35 177.22 3hq4 s LYS 128 N -1.77 4.74 -0.19 1.70 1.02 -1.26 -4.95 119.74 119.03 3hq4 s LYS 128 Ca 0.15 1.38 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 3hq4 s LYS 128 Cb -0.10 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3hq4 s LYS 128 CO 0.06 0.49 -0.07 0.99 -0.92 0.00 0.00 175.35 175.91 3hq4 s THR 129 N -1.24 3.34 -0.07 2.17 2.01 -1.26 -1.02 115.64 119.56 3hq4 s THR 129 Ca 0.41 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.92 3hq4 s THR 129 Cb -0.24 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.79 3hq4 s THR 129 CO 0.29 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.89 3hq4 s ILE 130 N 1.05 1.40 -0.28 1.82 -1.09 -0.13 -4.48 121.20 119.50 3hq4 s ILE 130 Ca 0.00 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 3hq4 s ILE 130 Cb -0.15 -1.23 0.02 0.00 -1.58 0.00 0.00 42.46 39.52 3hq4 s ILE 130 CO -0.01 0.41 0.01 -0.69 -1.23 0.00 0.00 174.94 173.44 3hq4 s VAL 131 N 0.42 3.39 0.35 2.92 1.01 -1.26 -3.62 120.40 123.61 3hq4 s VAL 131 Ca -0.12 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 3hq4 s VAL 131 Cb -0.15 -2.77 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 3hq4 s VAL 131 CO 0.04 0.10 1.41 0.12 0.00 0.00 0.00 175.10 176.77 3hq4 s PHE 132 N 1.39 2.80 0.00 5.22 5.36 -1.26 -0.65 117.98 130.85 3hq4 s PHE 132 Ca 0.00 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 3hq4 s PHE 132 Cb -0.17 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 3hq4 s PHE 132 CO -0.01 -2.52 0.00 0.09 -1.46 0.00 0.00 175.22 171.32 3hq4 n ASN 133 N 0.73 0.00 -0.05 6.13 3.02 -1.26 -4.71 115.26 119.12 3hq4 n ASN 133 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 3hq4 n ASN 133 Cb 0.40 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 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 -2.00 0.60 0.00 3.41 -1.04 -0.72 -4.95 114.28 109.59 3hq4 n THR 134 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3hq4 n THR 134 Cb 0.00 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3hq4 n THR 134 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hq4 n ASN 135 N -3.18 2.12 0.21 8.00 5.15 0.18 -4.88 115.26 122.86 3hq4 n ASN 135 Ca -0.20 -0.28 0.09 0.00 -0.60 0.00 0.00 54.58 53.58 3hq4 n ASN 135 Cb 0.67 0.99 0.44 0.00 -0.53 0.00 0.00 39.78 41.35 3hq4 n ASN 135 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 3hq4 h HIS 136 N 0.00 0.00 0.00 1.20 2.07 -1.92 -1.80 115.15 114.70 3hq4 h HIS 136 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hq4 h HIS 136 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3hq4 h HIS 136 CO 0.00 0.26 0.00 1.96 -3.07 0.00 0.00 177.93 177.08 3hq4 h GLN 137 N 0.00 0.00 0.00 5.12 4.20 -1.94 -1.08 115.11 121.42 3hq4 h GLN 137 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3hq4 h GLN 137 Cb 0.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 3hq4 h GLN 137 CO 0.03 0.00 -0.03 0.93 -0.67 0.00 0.00 178.83 179.10 3hq4 h GLU 138 N 0.00 0.00 -7.13 1.46 5.08 -1.72 -3.43 114.58 108.85 3hq4 h GLU 138 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3hq4 h GLU 138 Cb 0.05 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.37 3hq4 h GLU 138 CO 0.00 0.03 0.41 -0.51 -1.00 0.00 0.00 179.01 177.93 3hq4 s LEU 139 N -6.29 3.63 0.00 1.33 1.43 -0.41 -4.98 118.68 113.39 3hq4 s LEU 139 Ca 0.00 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3hq4 s LEU 139 Cb 0.10 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3hq4 s LEU 139 CO 0.54 -1.30 0.00 -0.90 0.23 0.00 0.00 176.35 174.92 3hq4 n ASP 140 N -1.66 0.00 0.00 2.29 5.68 -1.26 -5.06 116.55 116.54 3hq4 n ASP 140 Ca 0.11 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3hq4 n ASP 140 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.00 3.11 0.30 6.12 0.00 -1.26 -4.92 105.19 108.54 3hq4 n GLY 141 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3hq4 n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hq4 h SER 142 N 0.03 0.00 -3.68 1.61 4.64 -1.97 -3.45 113.55 110.73 3hq4 h SER 142 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3hq4 h SER 142 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3hq4 h SER 142 CO 0.00 0.00 0.16 -1.61 -0.87 0.00 0.00 176.83 174.51 3hq4 s GLU 143 N -3.99 4.27 -0.00 4.77 8.01 -1.26 -4.96 118.70 125.54 3hq4 s GLU 143 Ca -0.04 0.93 -0.00 0.00 0.01 0.00 0.00 54.97 55.87 3hq4 s GLU 143 Cb 0.10 -2.75 -0.00 0.00 -4.31 0.00 0.00 34.13 27.17 3hq4 s GLU 143 CO 0.31 0.31 -0.00 -2.37 0.01 0.00 0.00 175.26 173.52 3hq4 n THR 144 N 0.43 0.00 -4.20 3.63 5.66 -1.26 -4.97 114.28 113.58 3hq4 n THR 144 Ca -0.00 -0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 3hq4 n THR 144 Cb 0.51 -0.70 -0.16 0.00 -1.55 0.00 0.00 70.33 68.43 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 -2.00 0.56 0.05 1.08 1.01 -1.26 -1.29 120.40 118.54 3hq4 s VAL 145 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3hq4 s VAL 145 Cb 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3hq4 s VAL 145 CO 0.00 0.22 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 3hq4 s VAL 146 N 0.74 0.82 -0.08 2.92 1.01 0.14 -4.40 120.40 121.54 3hq4 s VAL 146 Ca -0.10 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 3hq4 s VAL 146 Cb -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3hq4 s VAL 146 CO 0.00 -0.27 -0.05 -0.55 0.00 0.00 0.00 175.10 174.23 3hq4 s SER 147 N -1.58 4.80 -0.13 3.32 0.15 -0.19 -0.33 113.70 119.74 3hq4 s SER 147 Ca -0.05 0.00 0.09 0.00 0.70 0.00 0.00 55.95 56.69 3hq4 s SER 147 Cb -0.10 -1.32 0.50 0.00 -1.71 0.00 0.00 66.02 63.40 3hq4 s SER 147 CO 0.01 0.34 1.29 0.61 1.20 0.00 0.00 173.24 176.69 3hq4 n GLY 148 N 2.37 2.30 7.00 9.45 0.00 0.17 -0.96 105.19 125.51 3hq4 n GLY 148 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.44 0.00 -2.63 4.61 0.00 -1.24 -4.64 120.51 117.05 3hq4 n ALA 149 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 3hq4 n ALA 149 Cb 0.80 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.15 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 3.65 0.13 0.00 1.04 -1.26 -3.17 113.70 110.10 3hq4 s SER 150 Ca 0.00 -1.48 -0.13 0.00 0.48 0.00 0.00 55.95 54.81 3hq4 s SER 150 Cb 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3hq4 s SER 150 CO 0.00 -0.64 1.54 0.77 0.98 0.00 0.00 173.24 175.90 3hq4 h SER 151 N 1.69 0.80 -0.23 7.02 4.64 -1.92 -2.11 113.55 123.44 3hq4 h SER 151 Ca -0.43 -0.36 -0.15 0.00 -0.47 0.00 0.00 61.79 60.38 3hq4 h SER 151 Cb 1.27 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3hq4 h SER 151 CO 0.75 0.97 -0.40 0.74 -0.87 0.00 0.00 176.83 178.02 3hq4 h THR 152 N 0.62 1.28 -0.49 2.95 2.02 -1.96 -2.09 112.91 115.25 3hq4 h THR 152 Ca 0.11 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.62 3hq4 h THR 152 Cb 0.61 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3hq4 h THR 152 CO 0.04 0.52 -0.03 0.74 0.37 0.00 0.00 175.52 177.16 3hq4 h THR 153 N 0.64 1.25 -0.09 3.16 2.02 -1.86 0.18 112.91 118.20 3hq4 h THR 153 Ca 0.05 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.06 3hq4 h THR 153 Cb 0.96 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3hq4 h THR 153 CO 0.09 0.38 -0.37 0.78 0.37 0.00 0.00 175.52 176.77 3hq4 h ASN 154 N 0.77 0.20 0.41 4.18 2.35 -1.29 0.23 115.58 122.44 3hq4 h ASN 154 Ca 0.14 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 3hq4 h ASN 154 Cb 0.51 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3hq4 h ASN 154 CO 0.03 0.56 -0.75 0.77 -1.65 0.00 0.00 177.43 176.39 3hq4 h SER 155 N 0.17 0.34 0.14 5.81 4.64 -0.62 -3.38 113.55 120.64 3hq4 h SER 155 Ca 0.02 -0.23 -0.29 0.00 -0.47 0.00 0.00 61.79 60.82 3hq4 h SER 155 Cb 0.74 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3hq4 h SER 155 CO 0.06 0.97 -1.43 0.25 -0.87 0.00 0.00 176.83 175.81 3hq4 h LEU 156 N 0.18 0.47 -0.41 5.97 5.85 -0.48 -3.40 115.31 123.49 3hq4 h LEU 156 Ca -0.03 -0.89 0.07 0.00 0.84 0.00 0.00 57.88 57.87 3hq4 h LEU 156 Cb 1.32 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3hq4 h LEU 156 CO 0.12 1.64 0.07 0.00 -0.34 0.00 0.00 178.44 179.93 3hq4 h ALA 157 N 0.02 0.44 0.00 1.25 0.00 -0.71 -1.54 119.26 118.72 3hq4 h ALA 157 Ca -0.29 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3hq4 h ALA 157 Cb 1.85 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3hq4 h ALA 157 CO 0.11 -0.33 -0.28 -1.00 0.00 0.00 0.00 179.25 177.76 3hq4 h PRO 158 N 0.20 0.00 0.43 0.00 0.13 -1.79 -1.25 132.00 129.73 3hq4 h PRO 158 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 3hq4 h PRO 158 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 3hq4 h PRO 158 CO -0.27 0.28 -0.21 0.28 -0.23 0.00 0.00 178.00 177.85 3hq4 h VAL 159 N 0.00 0.55 -0.65 1.56 2.07 -1.55 -2.82 116.25 115.41 3hq4 h VAL 159 Ca -0.00 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.31 3hq4 h VAL 159 Cb 0.92 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3hq4 h VAL 159 CO 0.04 0.05 0.44 0.00 0.02 0.00 0.00 177.57 178.12 3hq4 h ALA 160 N -0.28 1.99 -0.14 1.67 0.00 -1.14 -1.51 119.26 119.84 3hq4 h ALA 160 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hq4 h ALA 160 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hq4 h ALA 160 CO 0.10 -0.13 0.08 -0.22 0.00 0.00 0.00 179.25 179.07 3hq4 h LYS 161 N 0.46 0.19 -0.22 0.00 3.64 -1.13 -1.44 116.57 118.09 3hq4 h LYS 161 Ca 0.30 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3hq4 h LYS 161 Cb 0.57 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3hq4 h LYS 161 CO -0.09 0.19 0.03 0.28 -2.27 0.00 0.00 179.45 177.59 3hq4 h VAL 162 N 0.14 1.23 -0.30 2.00 2.07 -1.17 -0.07 116.25 120.15 3hq4 h VAL 162 Ca 0.05 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.87 3hq4 h VAL 162 Cb 0.05 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3hq4 h VAL 162 CO -0.01 0.24 -0.16 -0.07 0.02 0.00 0.00 177.57 177.60 3hq4 h LEU 163 N 0.16 -0.52 -0.18 2.57 3.38 -1.25 -1.52 115.31 117.94 3hq4 h LEU 163 Ca 0.07 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hq4 h LEU 163 Cb 0.33 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3hq4 h LEU 163 CO 0.01 -0.19 -0.02 -1.13 0.09 0.00 0.00 178.44 177.19 3hq4 h ASN 164 N -0.12 0.34 -0.34 -0.43 -1.24 -1.12 -1.20 115.58 111.48 3hq4 h ASN 164 Ca 0.16 -0.34 0.01 0.00 0.71 0.00 0.00 56.30 56.84 3hq4 h ASN 164 Cb 0.35 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3hq4 h ASN 164 CO -0.37 0.60 0.19 0.44 -1.29 0.00 0.00 177.43 177.00 3hq4 h ASP 165 N 0.07 0.31 0.78 1.15 3.32 -0.77 -0.03 116.42 121.26 3hq4 h ASP 165 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hq4 h ASP 165 Cb 0.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hq4 h ASP 165 CO 0.01 0.23 -0.93 0.47 -1.72 0.00 0.00 179.24 177.31 3hq4 n ASP 166 N -4.90 0.71 0.00 6.45 9.92 -0.59 -4.54 116.55 123.60 3hq4 n ASP 166 Ca -0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3hq4 n ASP 166 Cb 0.05 0.50 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 -2.31 0.00 -1.71 1.24 3.72 -0.46 -4.96 117.46 112.98 3hq4 n PHE 167 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 3hq4 n PHE 167 Cb 0.49 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.76 -3.63 3.65 1.37 0.00 -0.03 -1.68 105.19 105.63 3hq4 n GLY 168 Ca 0.00 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.18 4.09 -0.10 0.99 2.96 -1.26 -1.23 118.68 123.95 3hq4 s LEU 169 Ca -0.06 1.77 -0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3hq4 s LEU 169 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 3hq4 s LEU 169 CO 0.17 -1.01 -0.07 0.58 -1.32 0.00 0.00 176.35 174.71 3hq4 h VAL 170 N 5.78 0.00 -2.55 1.68 2.07 -1.64 -3.47 116.25 118.12 3hq4 h VAL 170 Ca -0.32 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.40 3hq4 h VAL 170 Cb 1.14 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.78 3hq4 h VAL 170 CO 0.98 0.00 0.39 -1.83 0.02 0.00 0.00 177.57 177.13 3hq4 s GLU 171 N -1.74 1.02 0.05 1.57 -1.05 -1.18 -4.87 118.70 112.50 3hq4 s GLU 171 Ca -0.06 -0.40 -0.27 0.00 -0.15 0.00 0.00 54.97 54.10 3hq4 s GLU 171 Cb 0.01 0.46 0.07 0.00 -0.44 0.00 0.00 34.13 34.23 3hq4 s GLU 171 CO 0.08 -0.45 0.66 0.20 0.95 0.00 0.00 175.26 176.70 3hq4 s GLY 172 N -2.61 -0.59 0.10 -3.83 0.00 -0.14 -0.56 107.32 99.69 3hq4 s GLY 172 Ca 0.04 0.93 0.10 0.00 0.00 0.00 0.00 44.72 45.79 3hq4 s GLY 172 CO -0.09 0.55 -0.26 1.08 0.00 0.00 0.00 173.10 174.38 3hq4 s LEU 173 N -1.99 2.29 -0.00 0.66 1.43 0.12 -2.09 118.68 119.09 3hq4 s LEU 173 Ca -0.04 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 3hq4 s LEU 173 Cb -0.01 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 3hq4 s LEU 173 CO -0.02 0.21 -0.20 -0.32 0.23 0.00 0.00 176.35 176.25 3hq4 s MET 174 N -1.80 1.56 -0.10 1.70 -2.45 0.49 0.03 119.30 118.73 3hq4 s MET 174 Ca 0.13 -0.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 3hq4 s MET 174 Cb -0.10 -1.54 0.02 0.00 1.25 0.00 0.00 34.83 34.46 3hq4 s MET 174 CO 0.05 0.42 -0.13 0.99 1.05 0.00 0.00 175.02 177.40 3hq4 s THR 175 N -0.53 1.31 -0.27 10.11 2.01 0.32 -1.37 115.64 127.21 3hq4 s THR 175 Ca 0.08 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 3hq4 s THR 175 Cb -0.08 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 3hq4 s THR 175 CO -0.00 0.40 0.41 0.28 -0.69 0.00 0.00 174.62 175.02 3hq4 s THR 176 N 1.07 5.15 -0.70 -0.82 -1.32 -0.68 -0.05 115.64 118.28 3hq4 s THR 176 Ca -0.06 0.63 -0.25 0.00 -1.21 0.00 0.00 61.69 60.80 3hq4 s THR 176 Cb -0.15 -3.73 0.04 0.00 -1.51 0.00 0.00 72.50 67.16 3hq4 s THR 176 CO -0.02 0.13 1.15 -0.63 -2.21 0.00 0.00 174.62 173.05 3hq4 s ILE 177 N 2.13 3.97 -0.06 5.08 1.09 0.14 -0.46 121.20 133.08 3hq4 s ILE 177 Ca 0.16 0.17 0.05 0.00 -1.10 0.00 0.00 60.65 59.93 3hq4 s ILE 177 Cb -0.16 -4.81 -0.02 0.00 -1.06 0.00 0.00 42.46 36.41 3hq4 s ILE 177 CO 0.10 -1.66 -0.21 -2.28 -0.10 0.00 0.00 174.94 170.79 3hq4 s HIS 178 N 5.06 2.54 0.65 3.97 2.46 0.35 0.13 115.29 130.44 3hq4 s HIS 178 Ca 0.31 -0.53 -0.18 0.00 0.47 0.00 0.00 55.06 55.13 3hq4 s HIS 178 Cb -0.11 -1.63 -0.02 0.00 -0.13 0.00 0.00 32.58 30.70 3hq4 s HIS 178 CO 0.14 -0.09 1.22 0.00 -2.47 0.00 0.00 174.74 173.54 3hq4 n ALA 179 N 2.80 0.90 -1.71 1.58 0.00 -1.25 -1.22 120.51 121.62 3hq4 n ALA 179 Ca -0.17 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 3hq4 n ALA 179 Cb 0.52 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.43 2.95 0.40 0.00 -0.85 -0.94 -4.77 117.35 112.70 3hq4 s TYR 180 Ca 0.81 1.53 0.04 0.00 -0.52 0.00 0.00 57.07 58.94 3hq4 s TYR 180 Cb -0.38 -3.05 -0.05 0.00 0.38 0.00 0.00 41.96 38.85 3hq4 s TYR 180 CO 0.42 -1.09 0.04 0.95 -1.52 0.00 0.00 175.55 174.35 3hq4 s THR 181 N -2.25 1.34 0.36 -3.49 -4.23 -1.26 -4.66 115.64 101.44 3hq4 s THR 181 Ca 0.66 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.52 3hq4 s THR 181 Cb -0.17 -2.68 0.39 0.00 1.34 0.00 0.00 72.50 71.38 3hq4 s THR 181 CO 0.31 0.00 2.13 1.23 -0.54 0.00 0.00 174.62 177.75 3hq4 h GLY 182 N 1.82 0.00 0.79 3.99 0.00 -1.96 -1.43 103.07 106.28 3hq4 h GLY 182 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hq4 h GLY 182 CO 0.72 0.00 -0.00 2.09 0.00 0.00 0.00 176.54 179.35 3hq4 n ASP 183 N -3.21 0.22 -4.90 0.19 5.68 -1.26 -4.73 116.55 108.54 3hq4 n ASP 183 Ca -0.01 -1.06 -0.29 0.00 -0.50 0.00 0.00 54.79 52.93 3hq4 n ASP 183 Cb 0.22 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 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 -2.01 3.64 0.38 0.11 -0.21 -0.54 -4.96 119.66 116.07 3hq4 s GLN 184 Ca 0.46 0.01 -0.16 0.00 0.02 0.00 0.00 55.36 55.69 3hq4 s GLN 184 Cb 0.22 -2.65 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 3hq4 s GLN 184 CO 0.37 0.23 0.82 -0.80 -2.12 0.00 0.00 175.29 173.79 3hq4 s ASN 185 N -3.11 6.77 0.05 5.90 0.01 -1.11 -4.91 114.94 118.55 3hq4 s ASN 185 Ca 0.44 1.40 -0.19 0.00 -0.71 0.00 0.00 52.86 53.80 3hq4 s ASN 185 Cb -0.11 -2.43 -0.13 0.00 0.41 0.00 0.00 41.25 38.99 3hq4 s ASN 185 CO 0.29 -0.31 1.36 0.74 -1.51 0.00 0.00 177.10 177.68 3hq4 h THR 186 N 1.73 1.34 -2.55 1.60 2.02 -1.91 0.41 112.91 115.54 3hq4 h THR 186 Ca -0.48 -1.31 -0.59 0.00 0.77 0.00 0.00 66.41 64.81 3hq4 h THR 186 Cb 1.18 1.81 -0.15 0.00 -1.74 0.00 0.00 68.15 69.24 3hq4 h THR 186 CO 0.64 0.39 -0.77 -1.10 0.37 0.00 0.00 175.52 175.05 3hq4 s GLN 187 N -4.34 1.57 0.01 6.66 -1.52 -1.26 -4.03 119.66 116.75 3hq4 s GLN 187 Ca -0.14 -1.68 -0.36 0.00 -1.95 0.00 0.00 55.36 51.24 3hq4 s GLN 187 Cb 0.06 -1.65 -0.14 0.00 -0.22 0.00 0.00 33.01 31.06 3hq4 s GLN 187 CO 0.76 0.31 1.64 -0.25 -0.25 0.00 0.00 175.29 177.50 3hq4 n ASP 188 N -0.37 2.77 -3.56 5.90 8.00 -1.26 -4.27 116.55 123.77 3hq4 n ASP 188 Ca -0.07 1.06 -0.10 0.00 0.71 0.00 0.00 54.79 56.39 3hq4 n ASP 188 Cb 0.59 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.33 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 2.09 -1.91 0.17 2.24 0.00 0.03 -4.93 121.76 119.46 3hq4 s ALA 189 Ca 0.87 1.41 -0.32 0.00 0.00 0.00 0.00 51.96 53.92 3hq4 s ALA 189 Cb -0.80 -0.33 -0.16 0.00 0.00 0.00 0.00 23.12 21.83 3hq4 s ALA 189 CO 0.48 -0.44 0.96 -2.30 0.00 0.00 0.00 175.76 174.46 3hq4 n PRO 190 N 0.39 0.72 -3.81 0.00 -0.02 -1.26 -4.57 135.00 126.45 3hq4 n PRO 190 Ca -0.09 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 3hq4 n PRO 190 Cb 0.59 -1.61 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.51 3.38 0.40 6.00 2.46 -1.26 -4.96 115.29 120.80 3hq4 s HIS 191 Ca 0.71 0.28 0.13 0.00 0.47 0.00 0.00 55.06 56.65 3hq4 s HIS 191 Cb -0.91 -2.12 0.95 0.00 -0.13 0.00 0.00 32.58 30.37 3hq4 s HIS 191 CO 0.55 0.29 1.90 0.07 -2.47 0.00 0.00 174.74 175.08 3hq4 h ARG 192 N 6.55 0.52 -0.00 2.88 -0.00 -1.94 -0.38 114.38 122.00 3hq4 h ARG 192 Ca -0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 3hq4 h ARG 192 Cb 1.16 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 3hq4 h ARG 192 CO 0.73 0.35 -0.02 1.63 -0.00 0.00 0.00 179.97 182.66 3hq4 n LYS 193 N -4.51 0.86 -1.02 0.08 4.01 -1.26 -4.94 118.16 111.37 3hq4 n LYS 193 Ca 0.16 -0.11 -0.01 0.00 -0.51 0.00 0.00 58.31 57.84 3hq4 n LYS 193 Cb 0.50 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.52 3hq4 n LYS 193 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hq4 n GLY 194 N 1.13 0.47 3.58 0.72 0.00 -0.15 -5.00 105.19 105.94 3hq4 n GLY 194 Ca 0.20 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.21 6.43 0.15 1.61 -1.08 -1.26 -4.94 116.67 115.35 3hq4 s ASP 195 Ca 0.00 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 3hq4 s ASP 195 Cb 0.00 -2.32 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 3hq4 s ASP 195 CO 0.00 -0.53 1.78 0.29 0.52 0.00 0.00 175.17 177.23 3hq4 n LYS 196 N 5.93 0.16 -0.04 4.34 5.02 -1.26 -2.43 118.16 129.89 3hq4 n LYS 196 Ca -0.02 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 3hq4 n LYS 196 Cb 0.49 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3hq4 n LYS 196 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hq4 n ARG 197 N -2.00 0.69 0.00 1.97 1.74 -1.26 -4.06 116.66 113.74 3hq4 n ARG 197 Ca 0.05 0.38 0.07 0.00 -0.77 0.00 0.00 57.85 57.58 3hq4 n ARG 197 Cb 0.35 -1.72 0.30 0.00 -1.02 0.00 0.00 32.46 30.37 3hq4 n ARG 197 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hq4 n ARG 198 N -3.85 0.06 0.11 5.56 1.74 -1.15 -1.99 116.66 117.13 3hq4 n ARG 198 Ca -0.32 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.12 3hq4 n ARG 198 Cb 0.91 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 31.28 3hq4 n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hq4 n ALA 199 N -1.44 2.12 -2.42 7.54 0.00 -1.02 -2.75 120.51 122.55 3hq4 n ALA 199 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 3hq4 n ALA 199 Cb 0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 3hq4 n ALA 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hq4 s ARG 200 N -3.15 3.77 -0.45 0.00 1.81 -0.84 -0.79 118.95 119.29 3hq4 s ARG 200 Ca 0.09 0.24 -0.43 0.00 -1.72 0.00 0.00 55.73 53.90 3hq4 s ARG 200 Cb 0.12 -2.63 -0.18 0.00 -0.45 0.00 0.00 34.95 31.80 3hq4 s ARG 200 CO 0.54 0.28 1.91 0.00 -0.68 0.00 0.00 175.30 177.35 3hq4 n ALA 201 N -0.32 -0.27 -0.17 2.13 0.00 -1.26 -4.15 120.51 116.48 3hq4 n ALA 201 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 3hq4 n ALA 201 Cb 0.53 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 7.79 0.62 -0.48 0.00 0.00 -1.04 -3.19 119.26 122.96 3hq4 h ALA 202 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hq4 h ALA 202 Cb 1.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hq4 h ALA 202 CO 1.03 0.18 0.00 0.00 0.00 0.00 0.00 179.25 180.46 3hq4 n ALA 203 N -2.30 2.43 -0.21 0.00 0.00 -1.26 -3.88 120.51 115.29 3hq4 n ALA 203 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3hq4 n ALA 203 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.01 1.81 -3.84 0.00 -0.58 -1.20 -4.73 120.64 113.10 3hq4 n GLU 204 Ca 0.18 -1.13 -0.11 0.00 -0.42 0.00 0.00 57.16 55.67 3hq4 n GLU 204 Cb 0.45 -0.90 -0.09 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.65 -0.02 -0.22 1.62 -0.87 -1.25 -5.06 114.94 108.49 3hq4 s ASN 205 Ca 0.00 -0.18 -0.26 0.00 -1.57 0.00 0.00 52.86 50.85 3hq4 s ASN 205 Cb 0.00 0.25 -0.00 0.00 -0.02 0.00 0.00 41.25 41.47 3hq4 s ASN 205 CO 0.00 -0.43 0.89 -0.63 -2.57 0.00 0.00 177.10 174.36 3hq4 s ILE 206 N -1.64 4.80 -0.26 0.60 1.01 -1.26 -4.07 121.20 120.38 3hq4 s ILE 206 Ca -0.12 1.72 0.01 0.00 0.00 0.00 0.00 60.65 62.26 3hq4 s ILE 206 Cb -0.06 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.31 3hq4 s ILE 206 CO 0.01 -0.08 -0.03 -0.63 0.00 0.00 0.00 174.94 174.20 3hq4 s ILE 207 N 2.81 1.66 0.30 2.92 1.01 0.47 -4.94 121.20 125.43 3hq4 s ILE 207 Ca 0.38 -1.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 3hq4 s ILE 207 Cb -0.15 -1.98 -0.12 0.00 0.01 0.00 0.00 42.46 40.22 3hq4 s ILE 207 CO 0.08 -0.22 1.47 -2.65 0.00 0.00 0.00 174.94 173.62 3hq4 n PRO 208 N 4.59 2.39 -3.67 2.79 -0.02 -1.26 -0.83 135.00 139.00 3hq4 n PRO 208 Ca -0.09 0.85 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3hq4 n PRO 208 Cb 0.43 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 3hq4 n PRO 208 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hq4 s ASN 209 N 0.20 -0.34 0.57 2.55 3.84 -0.21 -4.83 114.94 116.72 3hq4 s ASN 209 Ca 0.62 0.23 -0.19 0.00 0.21 0.00 0.00 52.86 53.73 3hq4 s ASN 209 Cb -0.55 0.40 -0.05 0.00 -0.55 0.00 0.00 41.25 40.50 3hq4 s ASN 209 CO 0.53 -0.55 1.14 -0.94 -2.79 0.00 0.00 177.10 174.49 3hq4 s SER 210 N -1.49 5.57 -0.03 -4.21 1.04 -1.26 -0.10 113.70 113.22 3hq4 s SER 210 Ca -0.11 2.18 -0.09 0.00 0.48 0.00 0.00 55.95 58.42 3hq4 s SER 210 Cb -0.03 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.53 3hq4 s SER 210 CO 0.04 -1.33 0.20 0.28 0.98 0.00 0.00 173.24 173.41 3hq4 s THR 211 N -1.83 0.04 -0.60 2.02 -1.32 -1.26 -4.67 115.64 108.03 3hq4 s THR 211 Ca 0.72 -0.37 0.24 0.00 -1.21 0.00 0.00 61.69 61.07 3hq4 s THR 211 Cb -0.24 -0.41 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 3hq4 s THR 211 CO 0.30 -0.20 1.24 1.23 -2.21 0.00 0.00 174.62 174.98 3hq4 h GLY 212 N 4.85 0.00 -0.98 6.08 0.00 -1.98 -3.43 103.07 107.61 3hq4 h GLY 212 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.15 3hq4 h GLY 212 CO 0.39 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 176.39 3hq4 h ALA 213 N 2.47 -0.37 0.07 3.60 0.00 -1.94 0.12 119.26 123.20 3hq4 h ALA 213 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 3hq4 h ALA 213 Cb 0.77 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3hq4 h ALA 213 CO 0.00 -0.88 -1.10 0.00 0.00 0.00 0.00 179.25 177.27 3hq4 h ALA 214 N 0.71 0.24 0.00 0.00 0.00 -1.87 -2.93 119.26 115.41 3hq4 h ALA 214 Ca 0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3hq4 h ALA 214 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hq4 h ALA 214 CO -0.94 0.93 -0.25 -0.22 0.00 0.00 0.00 179.25 178.77 3hq4 h LYS 215 N 0.12 0.00 -0.54 0.00 3.64 -1.42 -2.97 116.57 115.40 3hq4 h LYS 215 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3hq4 h LYS 215 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3hq4 h LYS 215 CO 0.18 0.25 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 3hq4 n ALA 216 N -2.45 3.13 0.25 5.00 0.00 0.36 -4.52 120.51 122.28 3hq4 n ALA 216 Ca -0.02 -1.74 0.14 0.00 0.00 0.00 0.00 53.44 51.82 3hq4 n ALA 216 Cb 0.31 -0.92 0.56 0.00 0.00 0.00 0.00 19.45 19.40 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 3.48 0.21 -0.89 0.00 6.09 -1.34 -1.92 117.51 123.14 3hq4 h ILE 217 Ca 0.00 -0.78 0.20 0.00 -1.37 0.00 0.00 64.86 62.91 3hq4 h ILE 217 Cb 1.48 1.65 -0.06 0.00 0.47 0.00 0.00 36.82 40.35 3hq4 h ILE 217 CO 0.26 0.08 0.59 1.23 -3.07 0.00 0.00 178.15 177.23 3hq4 h GLY 218 N 2.22 0.86 1.07 8.18 0.00 -1.79 0.23 103.07 113.84 3hq4 h GLY 218 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.19 3hq4 h GLY 218 CO 0.01 0.00 0.50 0.50 0.00 0.00 0.00 176.54 177.56 3hq4 h LYS 219 N 0.42 0.86 0.00 4.80 1.79 -1.71 -1.63 116.57 121.09 3hq4 h LYS 219 Ca 0.46 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.80 3hq4 h LYS 219 Cb 1.12 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3hq4 h LYS 219 CO -0.17 0.57 -1.96 1.33 -1.08 0.00 0.00 179.45 178.14 3hq4 n VAL 220 N -4.47 0.28 -3.62 0.50 0.24 -0.82 -4.61 118.33 105.84 3hq4 n VAL 220 Ca 0.10 -0.51 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 3hq4 n VAL 220 Cb 0.16 -0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.33 3hq4 n VAL 220 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3hq4 s ILE 221 N -3.13 0.81 0.39 1.34 2.07 0.75 -4.81 121.20 118.62 3hq4 s ILE 221 Ca -0.07 -1.99 0.16 0.00 -1.41 0.00 0.00 60.65 57.34 3hq4 s ILE 221 Cb 0.11 -1.58 0.37 0.00 0.13 0.00 0.00 42.46 41.49 3hq4 s ILE 221 CO 0.78 -0.89 1.78 -0.65 -1.91 0.00 0.00 174.94 174.06 3hq4 h PRO 222 N 7.12 0.44 0.00 3.50 0.11 -1.53 -3.03 132.00 138.61 3hq4 h PRO 222 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hq4 h PRO 222 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3hq4 h PRO 222 CO 0.40 0.29 0.00 0.93 -0.21 0.00 0.00 178.00 179.41 3hq4 h GLU 223 N 0.45 0.00 0.00 1.05 3.07 -1.95 -2.21 114.58 115.00 3hq4 h GLU 223 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 3hq4 h GLU 223 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3hq4 h GLU 223 CO -0.30 0.00 -0.00 0.44 -1.40 0.00 0.00 179.01 177.75 3hq4 n ILE 224 N -2.74 1.50 -1.56 3.13 -5.35 -1.15 -5.04 119.36 108.15 3hq4 n ILE 224 Ca -0.02 -1.73 -0.49 0.00 -0.27 0.00 0.00 62.75 60.24 3hq4 n ILE 224 Cb 0.10 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.02 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 -1.04 1.13 -0.06 7.28 2.03 -0.83 -1.09 116.55 123.97 3hq4 n ASP 225 Ca 0.09 1.14 -0.01 0.00 0.52 0.00 0.00 54.79 56.54 3hq4 n ASP 225 Cb 0.48 -1.18 -0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 1.99 0.28 0.01 0.27 0.00 -1.26 -4.87 105.19 101.60 3hq4 n GLY 226 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.79 0.10 -4.59 1.61 5.02 -0.25 -4.97 118.16 114.28 3hq4 n LYS 227 Ca -0.01 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 3hq4 n LYS 227 Cb 0.30 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.27 2.16 0.30 -0.35 1.43 -1.26 -0.96 118.68 116.73 3hq4 s LEU 228 Ca 0.07 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3hq4 s LEU 228 Cb 0.16 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 3hq4 s LEU 228 CO 0.82 0.14 0.46 -0.62 0.23 0.00 0.00 176.35 177.38 3hq4 s ASP 229 N -1.10 0.53 0.00 2.29 -1.08 -0.89 -3.31 116.67 113.10 3hq4 s ASP 229 Ca 0.06 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 3hq4 s ASP 229 Cb -0.08 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 3hq4 s ASP 229 CO 0.01 -1.23 0.00 0.61 0.52 0.00 0.00 175.17 175.09 3hq4 n GLY 230 N -0.48 -2.06 1.55 2.66 0.00 -1.26 -0.38 105.19 105.22 3hq4 n GLY 230 Ca -0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.46 3.52 3.50 -0.02 0.00 -0.47 -4.44 105.19 106.82 3hq4 n GLY 231 Ca 0.00 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.63 2.79 -0.20 4.61 0.00 0.86 -1.69 121.76 125.50 3hq4 s ALA 232 Ca 0.18 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.48 3hq4 s ALA 232 Cb 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3hq4 s ALA 232 CO 0.13 0.38 -0.16 -0.65 0.00 0.00 0.00 175.76 175.45 3hq4 s GLN 233 N -3.08 2.57 -0.22 0.00 -1.52 0.39 -1.05 119.66 116.75 3hq4 s GLN 233 Ca 0.26 -0.91 -0.21 0.00 -1.95 0.00 0.00 55.36 52.55 3hq4 s GLN 233 Cb -0.07 -2.55 -0.02 0.00 -0.22 0.00 0.00 33.01 30.15 3hq4 s GLN 233 CO 0.14 -0.33 0.63 1.03 -0.25 0.00 0.00 175.29 176.51 3hq4 s ARG 234 N 1.29 4.17 0.36 2.91 1.81 -0.01 -0.50 118.95 128.99 3hq4 s ARG 234 Ca 0.01 0.60 0.06 0.00 -1.72 0.00 0.00 55.73 54.68 3hq4 s ARG 234 Cb -0.15 -3.60 -0.07 0.00 -0.45 0.00 0.00 34.95 30.67 3hq4 s ARG 234 CO -0.10 -0.31 -0.00 0.14 -0.68 0.00 0.00 175.30 174.35 3hq4 s VAL 235 N 2.14 1.77 -1.39 3.52 -7.23 -0.35 -0.39 120.40 118.47 3hq4 s VAL 235 Ca 0.28 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 3hq4 s VAL 235 Cb -0.16 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 3hq4 s VAL 235 CO 0.10 -0.07 3.00 -2.65 -0.31 0.00 0.00 175.10 175.16 3hq4 n PRO 236 N -0.81 3.56 -4.72 4.82 -0.02 -1.26 -2.94 135.00 133.63 3hq4 n PRO 236 Ca -0.04 -2.16 -0.33 0.00 -2.02 0.00 0.00 63.50 58.94 3hq4 n PRO 236 Cb 0.66 -2.68 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.68 3.40 0.16 -1.45 -7.23 -1.26 -5.02 120.40 110.68 3hq4 s VAL 237 Ca 0.68 -0.63 0.21 0.00 -1.81 0.00 0.00 61.98 60.42 3hq4 s VAL 237 Cb 0.20 -2.38 0.18 0.00 0.56 0.00 0.00 36.38 34.94 3hq4 s VAL 237 CO -0.06 0.57 1.78 0.00 -0.31 0.00 0.00 175.10 177.08 3hq4 h ALA 238 N 5.19 1.02 -2.95 1.32 0.00 -1.87 -2.49 119.26 119.48 3hq4 h ALA 238 Ca -0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3hq4 h ALA 238 Cb 1.16 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 3hq4 h ALA 238 CO 0.51 0.39 0.15 -0.08 0.00 0.00 0.00 179.25 180.22 3hq4 s THR 239 N -3.65 0.01 0.00 0.00 -1.32 -1.26 -4.58 115.64 104.84 3hq4 s THR 239 Ca 0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3hq4 s THR 239 Cb 0.11 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 3hq4 s THR 239 CO 0.67 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 3hq4 n GLY 240 N -0.35 1.48 3.32 6.08 0.00 -1.26 -4.82 105.19 109.63 3hq4 n GLY 240 Ca -0.16 -1.18 -0.17 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 1.21 -0.04 1.61 0.01 0.44 -3.75 113.70 113.18 3hq4 s SER 241 Ca 0.00 -1.42 -0.01 0.00 1.31 0.00 0.00 55.95 55.83 3hq4 s SER 241 Cb 0.00 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3hq4 s SER 241 CO 0.00 -0.77 0.08 -0.22 0.41 0.00 0.00 173.24 172.74 3hq4 s LEU 242 N -3.32 0.83 -0.20 2.44 2.96 0.12 -1.40 118.68 120.11 3hq4 s LEU 242 Ca 0.37 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 3hq4 s LEU 242 Cb 0.07 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.81 3hq4 s LEU 242 CO 0.14 -0.15 0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 3hq4 s THR 243 N 1.25 4.73 -0.16 3.68 2.01 -0.10 0.23 115.64 127.27 3hq4 s THR 243 Ca -0.08 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3hq4 s THR 243 Cb -0.12 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3hq4 s THR 243 CO -0.04 0.43 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.60 3hq4 s GLU 244 N 0.65 3.37 -0.09 4.92 2.02 0.92 -1.71 118.70 128.78 3hq4 s GLU 244 Ca 0.04 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3hq4 s GLU 244 Cb -0.13 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.37 3hq4 s GLU 244 CO 0.02 0.08 -0.19 -1.17 0.02 0.00 0.00 175.26 174.02 3hq4 s LEU 245 N 0.70 1.91 -0.14 1.80 2.96 0.75 -0.52 118.68 126.14 3hq4 s LEU 245 Ca -0.05 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3hq4 s LEU 245 Cb -0.15 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 3hq4 s LEU 245 CO 0.02 0.10 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.09 3hq4 s THR 246 N 0.54 2.60 0.10 3.68 2.01 0.10 -0.80 115.64 123.88 3hq4 s THR 246 Ca -0.16 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.07 3hq4 s THR 246 Cb -0.17 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3hq4 s THR 246 CO 0.06 0.53 -0.08 0.68 -0.69 0.00 0.00 174.62 175.11 3hq4 s VAL 247 N 0.66 0.85 -0.10 3.82 -7.23 0.32 0.13 120.40 118.86 3hq4 s VAL 247 Ca -0.08 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3hq4 s VAL 247 Cb -0.16 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 3hq4 s VAL 247 CO 0.02 -0.73 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.37 3hq4 s VAL 248 N -3.09 4.10 0.21 1.32 1.01 0.27 -1.35 120.40 122.86 3hq4 s VAL 248 Ca 0.10 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.86 3hq4 s VAL 248 Cb 0.01 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3hq4 s VAL 248 CO -0.02 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 3hq4 s LEU 249 N -0.52 2.50 0.01 3.92 1.43 -1.26 -1.67 118.68 123.09 3hq4 s LEU 249 Ca 0.09 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 52.09 3hq4 s LEU 249 Cb -0.12 -0.91 -0.35 0.00 0.03 0.00 0.00 46.19 44.84 3hq4 s LEU 249 CO 0.02 -0.03 0.94 -0.33 0.23 0.00 0.00 176.35 177.19 3hq4 h GLU 250 N 2.85 0.52 -6.69 1.70 5.08 -0.88 -3.45 114.58 113.71 3hq4 h GLU 250 Ca -0.41 -0.88 -0.53 0.00 -1.00 0.00 0.00 59.36 56.54 3hq4 h GLU 250 Cb 1.22 0.33 0.05 0.00 0.50 0.00 0.00 28.75 30.85 3hq4 h GLU 250 CO 0.55 1.42 0.79 0.21 -1.00 0.00 0.00 179.01 180.99 3hq4 s LYS 251 N -2.59 4.25 0.45 2.33 2.36 -0.67 -5.01 119.74 120.86 3hq4 s LYS 251 Ca -0.10 2.31 -0.03 0.00 -2.55 0.00 0.00 55.97 55.59 3hq4 s LYS 251 Cb 0.04 -3.13 -0.02 0.00 -1.05 0.00 0.00 37.83 33.67 3hq4 s LYS 251 CO 0.93 -0.48 0.72 -0.65 1.55 0.00 0.00 175.35 177.42 3hq4 s GLN 252 N 0.18 3.35 -1.46 4.03 -1.52 -1.26 -4.54 119.66 118.45 3hq4 s GLN 252 Ca 0.63 -0.10 -0.07 0.00 -1.95 0.00 0.00 55.36 53.87 3hq4 s GLN 252 Cb -0.42 -2.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.90 3hq4 s GLN 252 CO 0.39 -0.19 0.91 -0.25 -0.25 0.00 0.00 175.29 175.90 3hq4 n ASP 253 N -2.14 -6.29 -4.78 5.90 10.43 -1.26 -4.94 116.55 113.47 3hq4 n ASP 253 Ca -0.00 -0.42 -0.37 0.00 2.57 0.00 0.00 54.79 56.57 3hq4 n ASP 253 Cb 0.56 -5.00 -0.06 0.00 1.84 0.00 0.00 41.12 38.46 3hq4 n ASP 253 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hq4 s VAL 254 N -3.26 4.05 0.29 2.53 0.11 -1.26 -5.07 120.40 117.79 3hq4 s VAL 254 Ca 0.45 1.66 0.11 0.00 -2.93 0.00 0.00 61.98 61.27 3hq4 s VAL 254 Cb -0.20 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 3hq4 s VAL 254 CO 0.56 0.10 -0.11 0.42 -3.33 0.00 0.00 175.10 172.74 3hq4 s THR 255 N -1.63 2.79 0.27 5.04 -4.23 -1.26 -5.02 115.64 111.60 3hq4 s THR 255 Ca 0.52 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3hq4 s THR 255 Cb -0.20 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.35 3hq4 s THR 255 CO 0.25 -0.36 1.77 0.58 -0.54 0.00 0.00 174.62 176.32 3hq4 h VAL 256 N 2.09 0.73 -0.11 2.29 2.07 -1.93 -2.53 116.25 118.86 3hq4 h VAL 256 Ca -0.42 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 3hq4 h VAL 256 Cb 1.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hq4 h VAL 256 CO 0.61 0.12 -0.62 -0.08 0.02 0.00 0.00 177.57 177.62 3hq4 h GLU 257 N 0.65 0.39 -0.63 1.57 4.57 -1.98 -1.81 114.58 117.34 3hq4 h GLU 257 Ca 0.48 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3hq4 h GLU 257 Cb 0.68 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 3hq4 h GLU 257 CO -0.36 0.89 0.30 1.96 -1.18 0.00 0.00 179.01 180.61 3hq4 h GLN 258 N 0.28 0.91 -0.14 1.92 4.20 -1.91 -1.67 115.11 118.70 3hq4 h GLN 258 Ca -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3hq4 h GLN 258 Cb 1.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3hq4 h GLN 258 CO 0.11 0.73 0.07 0.28 -0.67 0.00 0.00 178.83 179.34 3hq4 h VAL 259 N 0.86 1.12 -0.48 -0.54 2.07 -1.19 -2.40 116.25 115.70 3hq4 h VAL 259 Ca 0.21 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3hq4 h VAL 259 Cb 0.13 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3hq4 h VAL 259 CO -0.03 0.11 -0.08 0.78 0.02 0.00 0.00 177.57 178.38 3hq4 h ASN 260 N 0.10 0.84 -0.36 0.57 2.35 -1.22 -2.27 115.58 115.59 3hq4 h ASN 260 Ca 0.05 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 3hq4 h ASN 260 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3hq4 h ASN 260 CO -0.01 0.95 -0.33 -0.33 -1.65 0.00 0.00 177.43 176.07 3hq4 h GLU 261 N 0.78 0.86 0.00 0.81 4.39 -1.30 -1.27 114.58 118.85 3hq4 h GLU 261 Ca 0.13 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 3hq4 h GLU 261 Cb 0.58 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3hq4 h GLU 261 CO 0.04 1.08 -0.21 0.00 -1.16 0.00 0.00 179.01 178.76 3hq4 h ALA 262 N 0.76 1.58 0.07 3.43 0.00 -1.31 -1.58 119.26 122.21 3hq4 h ALA 262 Ca 0.06 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3hq4 h ALA 262 Cb 0.91 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hq4 h ALA 262 CO 0.08 0.26 -1.16 0.52 0.00 0.00 0.00 179.25 178.95 3hq4 h MET 263 N 0.00 0.62 -0.74 0.00 2.86 -1.23 -3.22 114.93 113.23 3hq4 h MET 263 Ca -0.00 -0.77 -0.06 0.00 -2.06 0.00 0.00 59.70 56.82 3hq4 h MET 263 Cb 0.39 0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3hq4 h MET 263 CO 0.03 1.34 0.24 -0.22 1.06 0.00 0.00 176.91 179.35 3hq4 h LYS 264 N 0.30 1.14 0.00 1.72 3.64 -1.06 -2.38 116.57 119.93 3hq4 h LYS 264 Ca -0.16 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 3hq4 h LYS 264 Cb 1.82 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3hq4 h LYS 264 CO 0.22 0.96 -0.06 -0.91 -2.27 0.00 0.00 179.45 177.39 3hq4 h ASN 265 N 1.10 0.00 -0.35 4.20 -0.26 -1.38 -2.34 115.58 116.54 3hq4 h ASN 265 Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hq4 h ASN 265 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3hq4 h ASN 265 CO -0.01 0.06 0.00 0.00 -1.06 0.00 0.00 177.43 176.42 3hq4 n ALA 266 N -2.15 2.46 -1.78 -0.83 0.00 -0.90 -4.96 120.51 112.34 3hq4 n ALA 266 Ca -0.01 -0.78 -0.36 0.00 0.00 0.00 0.00 53.44 52.29 3hq4 n ALA 266 Cb 0.27 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.33 6.53 0.00 0.00 1.04 -0.88 -4.85 113.70 114.20 3hq4 s SER 267 Ca 0.34 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.88 3hq4 s SER 267 Cb 0.19 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3hq4 s SER 267 CO 0.26 -0.66 0.00 -0.46 0.98 0.00 0.00 173.24 173.37 3hq4 n ASN 268 N -0.30 0.00 0.29 7.02 0.23 -0.56 -4.95 115.26 116.99 3hq4 n ASN 268 Ca 0.06 -0.45 0.14 0.00 -0.53 0.00 0.00 54.58 53.80 3hq4 n ASN 268 Cb 0.49 0.00 0.87 0.00 -2.08 0.00 0.00 39.78 39.07 3hq4 n ASN 268 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hq4 h GLU 269 N 0.00 0.00 0.00 -3.83 4.81 -1.99 -2.58 114.58 110.99 3hq4 h GLU 269 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3hq4 h GLU 269 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3hq4 h GLU 269 CO 0.00 0.00 -1.75 0.43 -0.73 0.00 0.00 179.01 176.96 3hq4 n SER 270 N -3.95 0.40 -3.83 1.04 7.64 -1.26 -4.37 113.62 109.29 3hq4 n SER 270 Ca -0.03 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 3hq4 n SER 270 Cb 0.10 0.97 -0.15 0.00 -1.01 0.00 0.00 64.21 64.13 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 -3.09 2.44 0.67 1.43 5.36 -0.97 -0.71 117.98 123.12 3hq4 s PHE 271 Ca -0.06 -2.32 -0.08 0.00 -0.96 0.00 0.00 56.93 53.52 3hq4 s PHE 271 Cb 0.10 -2.16 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 3hq4 s PHE 271 CO 0.84 -0.87 1.00 0.20 -1.46 0.00 0.00 175.22 174.93 3hq4 s GLY 272 N 1.07 1.64 -0.02 13.12 0.00 0.13 -1.50 107.32 121.75 3hq4 s GLY 272 Ca 0.12 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3hq4 s GLY 272 CO -0.14 -0.34 -0.04 -0.47 0.00 0.00 0.00 173.10 172.10 3hq4 s TYR 273 N -3.20 0.57 0.02 1.90 5.04 -1.26 -1.09 117.35 119.32 3hq4 s TYR 273 Ca 0.58 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 3hq4 s TYR 273 Cb -0.11 -0.47 -0.01 0.00 0.35 0.00 0.00 41.96 41.72 3hq4 s TYR 273 CO 0.47 -0.10 -0.02 -0.08 -1.34 0.00 0.00 175.55 174.47 3hq4 s THR 274 N 0.46 0.10 -0.34 4.34 -1.32 -0.65 -4.95 115.64 113.29 3hq4 s THR 274 Ca -0.05 -0.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.81 3hq4 s THR 274 Cb -0.09 -0.21 0.14 0.00 -1.51 0.00 0.00 72.50 70.83 3hq4 s THR 274 CO -0.00 -0.36 1.11 -0.62 -2.21 0.00 0.00 174.62 172.54 3hq4 n GLU 275 N 2.00 2.87 -2.57 7.08 1.02 -1.26 -1.69 120.64 128.08 3hq4 n GLU 275 Ca -0.21 -1.79 -0.32 0.00 -0.02 0.00 0.00 57.16 54.82 3hq4 n GLU 275 Cb 0.56 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.12 6.73 -1.37 1.62 1.01 -1.26 -4.80 116.67 117.47 3hq4 s ASP 276 Ca 0.11 1.58 -0.08 0.00 0.71 0.00 0.00 52.55 54.87 3hq4 s ASP 276 Cb 0.07 -2.51 0.09 0.00 1.01 0.00 0.00 42.92 41.58 3hq4 s ASP 276 CO 0.06 -0.50 2.31 -0.62 0.21 0.00 0.00 175.17 176.63 3hq4 n GLU 277 N -1.23 4.01 -1.64 8.23 1.02 -1.26 -4.89 120.64 124.88 3hq4 n GLU 277 Ca 0.06 -3.21 -0.29 0.00 -0.02 0.00 0.00 57.16 53.71 3hq4 n GLU 277 Cb 0.54 -2.80 0.14 0.00 -0.02 0.00 0.00 31.44 29.30 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 0.22 1.97 0.30 -3.67 -4.36 -1.26 -5.11 121.20 109.29 3hq4 s ILE 278 Ca 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.93 3hq4 s ILE 278 Cb 0.15 -2.82 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 3hq4 s ILE 278 CO -0.06 0.00 0.08 0.68 0.24 0.00 0.00 174.94 175.88 3hq4 s VAL 279 N -3.42 0.86 0.25 8.37 -7.23 -1.26 -5.05 120.40 112.92 3hq4 s VAL 279 Ca 0.66 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3hq4 s VAL 279 Cb -0.12 -2.69 0.23 0.00 0.56 0.00 0.00 36.38 34.36 3hq4 s VAL 279 CO 0.53 0.00 1.71 0.77 -0.31 0.00 0.00 175.10 177.80 3hq4 h SER 280 N 2.21 0.21 0.24 4.85 4.64 -1.95 -1.07 113.55 122.68 3hq4 h SER 280 Ca -0.39 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hq4 h SER 280 Cb 1.25 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hq4 h SER 280 CO 0.65 0.06 0.00 0.77 -0.87 0.00 0.00 176.83 177.43 3hq4 h SER 281 N 0.39 0.00 1.16 4.97 4.64 -1.93 -1.71 113.55 121.07 3hq4 h SER 281 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3hq4 h SER 281 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hq4 h SER 281 CO -0.44 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 175.96 3hq4 h ASP 282 N 0.00 0.00 -0.02 4.97 3.32 -1.60 -3.16 116.42 119.93 3hq4 h ASP 282 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hq4 h ASP 282 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hq4 h ASP 282 CO 0.00 0.00 -0.07 1.33 -1.72 0.00 0.00 179.24 178.78 3hq4 n VAL 283 N -2.63 0.00 -1.68 -1.35 0.24 -0.64 -4.89 118.33 107.38 3hq4 n VAL 283 Ca 0.03 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3hq4 n VAL 283 Cb 0.34 1.34 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 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 0.77 0.45 -0.29 3.34 0.31 -1.20 -1.69 118.33 120.02 3hq4 n VAL 284 Ca 0.10 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3hq4 n VAL 284 Cb 0.43 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 4.25 1.44 3.81 2.92 0.00 -1.26 -5.04 105.19 111.32 3hq4 n GLY 285 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.35 3.36 0.00 1.61 0.00 -0.68 -4.93 119.30 118.30 3hq4 s MET 286 Ca 0.00 1.12 0.11 0.00 0.00 0.00 0.00 55.69 56.92 3hq4 s MET 286 Cb 0.00 -2.04 0.09 0.00 0.00 0.00 0.00 34.83 32.87 3hq4 s MET 286 CO 0.00 -0.77 0.85 0.25 0.00 0.00 0.00 175.02 175.35 3hq4 n THR 287 N -2.14 0.00 -2.30 3.16 -2.24 -1.26 -3.08 114.28 106.42 3hq4 n THR 287 Ca 0.08 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 3hq4 n THR 287 Cb 0.53 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.94 3.10 0.38 4.78 1.51 -1.26 -4.70 117.35 120.23 3hq4 s TYR 288 Ca 0.13 1.55 0.16 0.00 -1.01 0.00 0.00 57.07 57.90 3hq4 s TYR 288 Cb 0.09 -3.41 0.91 0.00 -0.11 0.00 0.00 41.96 39.45 3hq4 s TYR 288 CO 0.14 -1.30 1.90 0.78 -1.11 0.00 0.00 175.55 175.96 3hq4 h GLY 289 N 2.78 0.00 -5.00 0.71 0.00 -1.10 -3.40 103.07 97.07 3hq4 h GLY 289 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3hq4 h GLY 289 CO 0.63 0.00 0.07 -0.45 0.00 0.00 0.00 176.54 176.79 3hq4 s SER 290 N -6.78 -0.86 -0.31 0.19 0.15 -0.90 -3.70 113.70 101.49 3hq4 s SER 290 Ca -0.03 1.49 0.03 0.00 0.70 0.00 0.00 55.95 58.14 3hq4 s SER 290 Cb 0.14 1.42 0.08 0.00 -1.71 0.00 0.00 66.02 65.96 3hq4 s SER 290 CO 0.69 -0.24 -0.01 -0.22 1.20 0.00 0.00 173.24 174.65 3hq4 s LEU 291 N 1.10 4.23 0.17 3.45 2.96 -0.44 0.18 118.68 130.33 3hq4 s LEU 291 Ca -0.06 -1.84 -0.31 0.00 -0.22 0.00 0.00 54.13 51.71 3hq4 s LEU 291 Cb -0.05 -1.60 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 3hq4 s LEU 291 CO -0.11 -0.30 1.49 0.12 -1.32 0.00 0.00 176.35 176.22 3hq4 s PHE 292 N 0.99 3.11 -0.44 5.38 5.36 -0.25 -0.85 117.98 131.28 3hq4 s PHE 292 Ca 0.03 0.81 -0.07 0.00 -0.96 0.00 0.00 56.93 56.74 3hq4 s PHE 292 Cb -0.19 -3.83 0.11 0.00 -0.34 0.00 0.00 43.02 38.77 3hq4 s PHE 292 CO -0.07 -2.94 0.28 0.34 -1.46 0.00 0.00 175.22 171.38 3hq4 s ASP 293 N 0.95 5.52 0.57 6.13 -1.08 -0.49 -1.63 116.67 126.65 3hq4 s ASP 293 Ca 0.66 -1.90 0.32 0.00 -0.52 0.00 0.00 52.55 51.11 3hq4 s ASP 293 Cb -0.41 -1.94 1.73 0.00 -1.46 0.00 0.00 42.92 40.84 3hq4 s ASP 293 CO 0.34 -0.62 2.17 0.00 0.52 0.00 0.00 175.17 177.58 3hq4 h ALA 294 N 8.30 1.25 0.00 3.66 0.00 -1.61 -2.25 119.26 128.61 3hq4 h ALA 294 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hq4 h ALA 294 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hq4 h ALA 294 CO 0.79 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.36 3hq4 n THR 295 N -3.52 0.62 0.16 0.00 -2.24 -1.26 -2.95 114.28 105.08 3hq4 n THR 295 Ca -0.02 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 3hq4 n THR 295 Cb 0.17 -0.83 0.10 0.00 -2.10 0.00 0.00 70.33 67.68 3hq4 n THR 295 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hq4 n GLN 296 N -1.45 1.73 -2.47 -0.78 6.02 -0.85 -4.97 117.38 114.61 3hq4 n GLN 296 Ca 0.06 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.00 54.99 3hq4 n GLN 296 Cb 0.21 -1.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.99 4.19 0.03 5.09 2.01 -1.15 -4.48 115.64 120.33 3hq4 s THR 297 Ca 0.19 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.79 3hq4 s THR 297 Cb 0.11 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3hq4 s THR 297 CO 0.16 0.10 -0.10 -0.60 -0.69 0.00 0.00 174.62 173.49 3hq4 s ARG 298 N 1.27 0.68 -0.05 4.92 3.52 0.29 -4.98 118.95 124.60 3hq4 s ARG 298 Ca 0.57 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 3hq4 s ARG 298 Cb -0.27 -0.61 0.02 0.00 -1.56 0.00 0.00 34.95 32.53 3hq4 s ARG 298 CO 0.28 0.15 -0.04 0.08 -0.81 0.00 0.00 175.30 174.95 3hq4 s VAL 299 N -0.84 0.54 -0.18 7.11 1.01 -1.26 -1.13 120.40 125.66 3hq4 s VAL 299 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3hq4 s VAL 299 Cb -0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3hq4 s VAL 299 CO 0.01 0.24 -0.09 -0.32 0.00 0.00 0.00 175.10 174.93 3hq4 s MET 300 N 1.10 3.37 -0.04 2.72 1.75 -0.12 -5.00 119.30 123.08 3hq4 s MET 300 Ca -0.08 -0.66 0.04 0.00 -1.25 0.00 0.00 55.69 53.74 3hq4 s MET 300 Cb -0.14 -2.82 -0.00 0.00 2.84 0.00 0.00 34.83 34.71 3hq4 s MET 300 CO -0.01 -0.01 -0.16 -1.12 -0.65 0.00 0.00 175.02 173.07 3hq4 s SER 301 N 0.95 2.01 -0.08 1.11 0.01 -1.26 -0.60 113.70 115.84 3hq4 s SER 301 Ca -0.01 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 3hq4 s SER 301 Cb -0.15 -0.58 0.05 0.00 0.21 0.00 0.00 66.02 65.55 3hq4 s SER 301 CO -0.00 0.13 0.14 -0.69 0.41 0.00 0.00 173.24 173.23 3hq4 s VAL 302 N 0.10 -0.22 0.00 3.43 1.01 -0.32 -5.00 120.40 119.40 3hq4 s VAL 302 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3hq4 s VAL 302 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3hq4 s VAL 302 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3hq4 n GLY 303 N 5.32 2.73 1.23 4.51 0.00 -1.26 -0.92 105.19 116.80 3hq4 n GLY 303 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hq4 n GLY 303 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hq4 n ASP 304 N 1.75 3.17 -4.36 1.61 3.85 -1.26 -4.90 116.55 116.42 3hq4 n ASP 304 Ca 0.00 -2.49 -0.33 0.00 -0.71 0.00 0.00 54.79 51.26 3hq4 n ASP 304 Cb 0.00 -0.60 -0.14 0.00 -1.35 0.00 0.00 41.12 39.02 3hq4 n ASP 304 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hq4 s ARG 305 N -1.70 3.37 0.03 0.11 1.81 -0.10 -4.97 118.95 117.50 3hq4 s ARG 305 Ca 0.25 -0.69 0.04 0.00 -1.72 0.00 0.00 55.73 53.61 3hq4 s ARG 305 Cb 0.19 -2.66 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 3hq4 s ARG 305 CO 0.07 0.17 -0.13 -1.14 -0.68 0.00 0.00 175.30 173.58 3hq4 s GLN 306 N 0.48 0.87 -0.12 3.54 0.74 -1.26 -1.17 119.66 122.73 3hq4 s GLN 306 Ca -0.09 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.62 3hq4 s GLN 306 Cb -0.16 -0.85 0.02 0.00 1.10 0.00 0.00 33.01 33.12 3hq4 s GLN 306 CO 0.04 0.21 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.69 3hq4 s LEU 307 N -1.08 1.62 -0.15 3.68 2.96 0.23 -4.56 118.68 121.38 3hq4 s LEU 307 Ca 0.01 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3hq4 s LEU 307 Cb -0.08 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3hq4 s LEU 307 CO 0.01 -0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.21 3hq4 s VAL 308 N 1.21 3.06 -0.04 1.68 1.01 -0.46 -0.95 120.40 125.91 3hq4 s VAL 308 Ca -0.02 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3hq4 s VAL 308 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3hq4 s VAL 308 CO -0.05 0.51 -0.18 -0.75 0.00 0.00 0.00 175.10 174.62 3hq4 s LYS 309 N 0.63 1.85 0.18 2.72 2.20 -0.28 -0.52 119.74 126.52 3hq4 s LYS 309 Ca -0.07 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3hq4 s LYS 309 Cb -0.15 -1.62 -0.04 0.00 -1.51 0.00 0.00 37.83 34.50 3hq4 s LYS 309 CO 0.03 0.28 0.04 0.14 -0.36 0.00 0.00 175.35 175.48 3hq4 s VAL 310 N -0.05 0.45 -0.05 4.02 -7.23 0.02 -0.55 120.40 117.02 3hq4 s VAL 310 Ca -0.02 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 3hq4 s VAL 310 Cb -0.11 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.62 3hq4 s VAL 310 CO 0.02 -0.35 0.24 0.00 -0.31 0.00 0.00 175.10 174.71 3hq4 s ALA 311 N -3.82 -0.61 -0.04 1.32 0.00 -1.26 -0.18 121.76 117.18 3hq4 s ALA 311 Ca 0.28 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3hq4 s ALA 311 Cb 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3hq4 s ALA 311 CO 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 175.76 175.62 3hq4 s ALA 312 N -0.63 0.49 0.53 0.00 0.00 -0.70 -1.39 121.76 120.06 3hq4 s ALA 312 Ca -0.07 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 3hq4 s ALA 312 Cb -0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 3hq4 s ALA 312 CO 0.02 -0.06 1.01 -1.58 0.00 0.00 0.00 175.76 175.15 3hq4 s TRP 313 N 1.00 3.21 -0.21 0.00 0.52 -0.03 -0.93 118.94 122.50 3hq4 s TRP 313 Ca -0.10 1.51 -0.15 0.00 0.02 0.00 0.00 56.10 57.38 3hq4 s TRP 313 Cb -0.14 -2.91 0.06 0.00 -1.15 0.00 0.00 33.47 29.33 3hq4 s TRP 313 CO -0.01 -0.66 0.54 1.52 0.02 0.00 0.00 176.95 178.36 3hq4 s TYR 314 N -2.42 -0.72 -0.79 -1.98 1.13 -0.50 -1.33 117.35 110.74 3hq4 s TYR 314 Ca 0.62 1.59 -0.26 0.00 -1.41 0.00 0.00 57.07 57.61 3hq4 s TYR 314 Cb -0.13 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 3hq4 s TYR 314 CO 0.29 -0.37 1.62 0.34 -2.51 0.00 0.00 175.55 174.93 3hq4 s ASP 315 N 0.99 5.75 0.65 -0.18 -1.08 -1.26 -0.42 116.67 121.13 3hq4 s ASP 315 Ca -0.06 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.76 3hq4 s ASP 315 Cb -0.06 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.20 3hq4 s ASP 315 CO -0.09 -2.12 1.76 -0.55 0.52 0.00 0.00 175.17 174.69 3hq4 h ASN 316 N 11.71 0.00 0.00 -0.34 7.08 -1.91 0.46 115.58 132.58 3hq4 h ASN 316 Ca -0.10 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 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 1.28 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 176.01 3hq4 n GLU 317 N -2.94 0.00 0.08 4.14 1.02 -1.26 -4.23 120.64 117.45 3hq4 n GLU 317 Ca 0.00 0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 57.31 3hq4 n GLU 317 Cb 0.54 -0.72 0.03 0.00 -0.02 0.00 0.00 31.44 31.26 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 0.22 -0.50 3.49 4.05 -1.66 -0.41 114.93 120.12 3hq4 h MET 318 Ca 0.00 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 3hq4 h MET 318 Cb 0.00 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3hq4 h MET 318 CO 0.00 0.91 0.11 0.77 0.23 0.00 0.00 176.91 178.93 3hq4 h SER 319 N 0.14 0.78 -0.36 1.39 0.02 -0.03 0.67 113.55 116.16 3hq4 h SER 319 Ca -0.03 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 3hq4 h SER 319 Cb 1.39 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3hq4 h SER 319 CO 0.12 0.82 0.02 0.22 -1.14 0.00 0.00 176.83 176.87 3hq4 h TYR 320 N 0.70 0.67 -0.50 3.45 3.20 -1.50 -2.41 116.97 120.57 3hq4 h TYR 320 Ca 0.16 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hq4 h TYR 320 Cb 0.36 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3hq4 h TYR 320 CO 0.02 0.71 0.31 1.15 -1.64 0.00 0.00 178.16 178.71 3hq4 h THR 321 N 0.44 1.15 -0.65 1.81 2.02 -0.82 0.27 112.91 117.14 3hq4 h THR 321 Ca 0.10 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3hq4 h THR 321 Cb 0.42 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3hq4 h THR 321 CO 0.01 0.15 0.08 0.00 0.37 0.00 0.00 175.52 176.13 3hq4 h ALA 322 N 1.16 0.92 -0.69 6.16 0.00 -0.86 -0.10 119.26 125.84 3hq4 h ALA 322 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hq4 h ALA 322 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hq4 h ALA 322 CO -0.04 0.66 0.20 1.96 0.00 0.00 0.00 179.25 182.04 3hq4 h GLN 323 N 1.00 1.09 -0.68 0.00 1.08 -0.91 -1.33 115.11 115.38 3hq4 h GLN 323 Ca 0.19 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3hq4 h GLN 323 Cb 0.47 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 3hq4 h GLN 323 CO 0.02 0.95 0.37 1.25 -0.95 0.00 0.00 178.83 180.47 3hq4 h LEU 324 N 1.03 0.83 0.00 1.46 5.85 0.01 -1.77 115.31 122.72 3hq4 h LEU 324 Ca 0.22 -0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 3hq4 h LEU 324 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3hq4 h LEU 324 CO -0.00 0.67 -1.08 0.58 -0.34 0.00 0.00 178.44 178.27 3hq4 h VAL 325 N 0.94 1.09 -0.32 1.05 2.07 -0.76 -0.97 116.25 119.36 3hq4 h VAL 325 Ca 0.24 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 3hq4 h VAL 325 Cb 0.02 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3hq4 h VAL 325 CO -0.04 0.62 0.15 0.03 0.02 0.00 0.00 177.57 178.35 3hq4 h ARG 326 N 0.00 0.46 -0.67 1.57 3.08 -1.00 -2.27 114.38 115.55 3hq4 h ARG 326 Ca -0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3hq4 h ARG 326 Cb 1.68 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.62 3hq4 h ARG 326 CO 0.09 0.44 0.26 1.15 -1.07 0.00 0.00 179.97 180.84 3hq4 h THR 327 N 0.38 1.24 -0.19 2.04 2.02 -1.27 -2.28 112.91 114.84 3hq4 h THR 327 Ca 0.11 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.57 3hq4 h THR 327 Cb 0.14 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 3hq4 h THR 327 CO -0.01 0.31 -0.21 0.25 0.37 0.00 0.00 175.52 176.23 3hq4 h LEU 328 N 0.96 -0.66 -0.29 2.58 5.85 -1.10 0.40 115.31 123.05 3hq4 h LEU 328 Ca 0.22 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3hq4 h LEU 328 Cb 0.22 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3hq4 h LEU 328 CO -0.02 -0.25 0.13 0.00 -0.34 0.00 0.00 178.44 177.96 3hq4 h ALA 329 N 0.82 0.38 -0.39 1.25 0.00 -1.12 0.15 119.26 120.36 3hq4 h ALA 329 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hq4 h ALA 329 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hq4 h ALA 329 CO -0.33 -0.05 0.24 -0.92 0.00 0.00 0.00 179.25 178.19 3hq4 h TYR 330 N 0.33 0.45 -0.35 0.00 3.20 -1.30 -2.30 116.97 116.99 3hq4 h TYR 330 Ca 0.10 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hq4 h TYR 330 Cb 0.15 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3hq4 h TYR 330 CO -0.01 0.27 0.08 1.25 -1.64 0.00 0.00 178.16 178.11 3hq4 h LEU 331 N 0.48 0.04 -1.37 2.82 5.85 0.16 -3.01 115.31 120.28 3hq4 h LEU 331 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hq4 h LEU 331 Cb -0.02 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hq4 h LEU 331 CO -0.06 0.06 0.17 0.00 -0.34 0.00 0.00 178.44 178.27 3hq4 h ALA 332 N 1.25 1.51 0.00 1.25 0.00 -0.52 -2.65 119.26 120.10 3hq4 h ALA 332 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hq4 h ALA 332 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hq4 h ALA 332 CO -0.20 0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.82 3hq4 n GLU 333 N -4.37 0.07 0.00 0.00 1.02 -0.88 -5.09 120.64 111.37 3hq4 n GLU 333 Ca 0.03 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3hq4 n GLU 333 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3hq4 n GLU 333 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59