#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hq4 n ALA 2 N 0.00 0.53 -1.76 3.04 0.00 -1.26 -4.93 120.51 116.13 3hq4 n ALA 2 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 3hq4 n ALA 2 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.23 3hq4 n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hq4 s VAL 3 N -0.01 2.08 -0.36 0.00 1.01 0.10 -4.82 120.40 118.39 3hq4 s VAL 3 Ca 0.71 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 3hq4 s VAL 3 Cb -0.72 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3hq4 s VAL 3 CO 0.49 0.01 0.35 -0.54 0.00 0.00 0.00 175.10 175.41 3hq4 s LYS 4 N -0.02 3.42 -0.13 2.72 1.02 -1.26 -1.11 119.74 124.38 3hq4 s LYS 4 Ca 0.66 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 3hq4 s LYS 4 Cb -0.48 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 32.95 3hq4 s LYS 4 CO 0.43 -0.58 -0.04 0.08 -0.92 0.00 0.00 175.35 174.32 3hq4 s VAL 5 N 1.95 3.85 -0.04 3.17 1.01 0.00 -0.37 120.40 129.97 3hq4 s VAL 5 Ca 0.10 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3hq4 s VAL 5 Cb -0.17 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3hq4 s VAL 5 CO 0.12 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.70 3hq4 s ALA 6 N 0.05 3.14 -0.19 5.51 0.00 -0.87 -0.79 121.76 128.61 3hq4 s ALA 6 Ca -0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 3hq4 s ALA 6 Cb -0.13 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3hq4 s ALA 6 CO 0.03 0.60 -0.03 0.42 0.00 0.00 0.00 175.76 176.78 3hq4 s ILE 7 N -0.93 3.65 -0.41 0.00 1.01 -0.42 -1.16 121.20 122.94 3hq4 s ILE 7 Ca 0.15 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 3hq4 s ILE 7 Cb -0.11 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.75 3hq4 s ILE 7 CO 0.05 0.44 0.29 0.21 0.00 0.00 0.00 174.94 175.93 3hq4 s ASN 8 N 1.02 5.99 0.00 3.58 2.47 0.14 -1.20 114.94 126.94 3hq4 s ASN 8 Ca 0.01 -1.02 0.00 0.00 0.42 0.00 0.00 52.86 52.27 3hq4 s ASN 8 Cb -0.15 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3hq4 s ASN 8 CO 0.01 -0.47 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 3hq4 n GLY 9 N 5.11 -0.40 2.43 1.21 0.00 0.50 0.28 105.19 114.32 3hq4 n GLY 9 Ca -0.11 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 0.46 1.78 -0.64 1.61 7.35 -1.21 -3.98 117.46 122.82 3hq4 n PHE 10 Ca 0.00 -2.22 0.00 0.00 -0.76 0.00 0.00 57.45 54.47 3hq4 n PHE 10 Cb 0.00 -1.60 0.00 0.00 0.35 0.00 0.00 39.48 38.23 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 1.44 1.62 0.16 7.13 0.00 -1.26 -4.48 105.19 109.80 3hq4 n GLY 11 Ca 0.54 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 0.46 0.15 1.61 2.47 -1.92 0.31 114.38 117.47 3hq4 h ARG 12 Ca 0.00 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.42 3hq4 h ARG 12 Cb 0.00 -0.10 0.03 0.00 -1.65 0.00 0.00 29.97 28.25 3hq4 h ARG 12 CO 0.00 0.35 -1.09 0.82 0.56 0.00 0.00 179.97 180.61 3hq4 h ILE 13 N 0.44 1.38 -0.93 2.04 1.08 -1.90 -2.53 117.51 117.09 3hq4 h ILE 13 Ca 0.12 -2.51 0.01 0.00 -0.39 0.00 0.00 64.86 62.09 3hq4 h ILE 13 Cb 0.01 2.96 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 3hq4 h ILE 13 CO -0.02 0.74 0.60 1.23 -0.69 0.00 0.00 178.15 180.01 3hq4 h GLY 14 N -0.02 1.32 1.12 5.37 0.00 -1.67 0.14 103.07 109.32 3hq4 h GLY 14 Ca -0.18 -0.50 -0.24 0.00 0.00 0.00 0.00 47.33 46.41 3hq4 h GLY 14 CO 0.21 0.49 -0.91 3.21 0.00 0.00 0.00 176.54 179.54 3hq4 h ARG 15 N 1.27 0.67 -0.16 4.80 3.08 -0.42 -1.91 114.38 121.71 3hq4 h ARG 15 Ca 0.34 -0.68 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 3hq4 h ARG 15 Cb -0.13 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hq4 h ARG 15 CO -0.07 1.27 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.72 3hq4 h LEU 16 N 0.33 0.31 -0.56 3.04 3.38 -1.32 -0.18 115.31 120.31 3hq4 h LEU 16 Ca -0.10 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3hq4 h LEU 16 Cb 1.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3hq4 h LEU 16 CO 0.18 0.62 -0.33 0.00 0.09 0.00 0.00 178.44 179.00 3hq4 h ALA 17 N 1.41 0.75 -0.15 1.53 0.00 -0.65 0.16 119.26 122.29 3hq4 h ALA 17 Ca 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3hq4 h ALA 17 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hq4 h ALA 17 CO 0.05 0.66 0.06 0.35 0.00 0.00 0.00 179.25 180.36 3hq4 h PHE 18 N 0.66 0.10 -0.65 0.00 3.57 -0.78 0.25 116.94 120.08 3hq4 h PHE 18 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3hq4 h PHE 18 Cb 0.88 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3hq4 h PHE 18 CO 0.05 0.05 0.37 0.00 -2.23 0.00 0.00 178.31 176.55 3hq4 h ARG 19 N 0.13 0.90 -0.41 1.11 3.08 -0.82 -2.75 114.38 115.63 3hq4 h ARG 19 Ca 0.07 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 3hq4 h ARG 19 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hq4 h ARG 19 CO -0.06 0.67 -0.33 -0.09 -1.07 0.00 0.00 179.97 179.09 3hq4 h ARG 20 N 0.89 0.95 -0.31 0.04 9.65 -0.42 -2.70 114.38 122.48 3hq4 h ARG 20 Ca 0.23 -0.47 0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3hq4 h ARG 20 Cb 0.02 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3hq4 h ARG 20 CO -0.04 1.13 0.22 0.82 2.80 0.00 0.00 179.97 184.90 3hq4 h ILE 21 N 0.78 0.93 0.00 1.20 2.04 -0.40 0.44 117.51 122.50 3hq4 h ILE 21 Ca 0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hq4 h ILE 21 Cb 0.92 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3hq4 h ILE 21 CO 0.09 0.03 0.00 1.56 0.00 0.00 0.00 178.15 179.82 3hq4 h GLN 22 N 0.16 0.00 -0.10 2.37 1.08 -1.18 -1.86 115.11 115.58 3hq4 h GLN 22 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3hq4 h GLN 22 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3hq4 h GLN 22 CO -0.02 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.25 3hq4 n GLU 23 N -2.76 2.14 -3.88 1.46 1.02 0.14 -4.86 120.64 113.91 3hq4 n GLU 23 Ca -0.01 -1.68 -0.29 0.00 -0.02 0.00 0.00 57.16 55.16 3hq4 n GLU 23 Cb 0.11 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.90 1.15 0.39 2.62 1.01 -0.70 -5.12 120.40 117.86 3hq4 s VAL 24 Ca 0.33 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 3hq4 s VAL 24 Cb 0.20 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 35.05 3hq4 s VAL 24 CO 0.31 -0.02 0.95 -1.61 0.00 0.00 0.00 175.10 174.72 3hq4 s GLU 25 N 1.59 4.37 0.00 2.72 2.02 -1.26 -3.30 118.70 124.84 3hq4 s GLU 25 Ca -0.02 1.20 0.00 0.00 0.02 0.00 0.00 54.97 56.17 3hq4 s GLU 25 Cb -0.17 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.63 3hq4 s GLU 25 CO -0.07 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3hq4 n GLY 26 N -0.15 2.24 3.18 -1.39 0.00 -1.26 -5.05 105.19 102.76 3hq4 n GLY 26 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 2.10 -0.16 0.99 1.02 -1.21 0.01 118.68 121.44 3hq4 s LEU 27 Ca 0.00 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 53.56 3hq4 s LEU 27 Cb 0.00 -1.43 0.04 0.00 0.02 0.00 0.00 46.19 44.82 3hq4 s LEU 27 CO 0.00 0.11 -0.06 -0.70 0.02 0.00 0.00 176.35 175.72 3hq4 s GLU 28 N 0.66 1.47 -0.38 1.70 2.12 -0.27 -4.86 118.70 119.15 3hq4 s GLU 28 Ca -0.11 -0.47 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 3hq4 s GLU 28 Cb -0.16 -1.93 0.01 0.00 0.26 0.00 0.00 34.13 32.31 3hq4 s GLU 28 CO 0.02 -0.40 1.33 0.08 -0.54 0.00 0.00 175.26 175.74 3hq4 s VAL 29 N 1.64 4.05 -0.08 3.70 1.01 -1.26 -0.82 120.40 128.64 3hq4 s VAL 29 Ca 0.02 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.31 3hq4 s VAL 29 Cb -0.15 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.68 3hq4 s VAL 29 CO -0.08 -0.68 0.34 1.33 0.00 0.00 0.00 175.10 176.00 3hq4 n VAL 30 N 6.70 0.45 -3.95 2.92 0.24 0.03 -4.83 118.33 119.90 3hq4 n VAL 30 Ca 0.15 -0.61 -0.10 0.00 -2.04 0.00 0.00 64.34 61.75 3hq4 n VAL 30 Cb 0.48 -0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.15 0.01 -0.02 2.33 0.00 -1.23 -1.66 121.76 118.05 3hq4 s ALA 31 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3hq4 s ALA 31 Cb 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3hq4 s ALA 31 CO 0.86 -0.16 -0.11 0.08 0.00 0.00 0.00 175.76 176.43 3hq4 s VAL 32 N -1.32 0.91 0.04 0.00 1.01 0.62 -1.30 120.40 120.35 3hq4 s VAL 32 Ca -0.14 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3hq4 s VAL 32 Cb -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3hq4 s VAL 32 CO -0.00 0.26 -0.18 0.21 0.00 0.00 0.00 175.10 175.39 3hq4 s ASN 33 N -0.12 2.16 0.00 3.32 2.47 -0.34 -0.70 114.94 121.72 3hq4 s ASN 33 Ca 0.02 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 52.82 3hq4 s ASN 33 Cb -0.06 -0.17 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 3hq4 s ASN 33 CO -0.00 0.12 0.00 -0.67 -3.72 0.00 0.00 177.10 172.83 3hq4 n ASP 34 N 1.94 0.00 -0.31 -4.21 2.03 -0.91 -0.37 116.55 114.72 3hq4 n ASP 34 Ca -0.17 -0.38 0.08 0.00 0.52 0.00 0.00 54.79 54.84 3hq4 n ASP 34 Cb 0.54 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.10 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 2.75 0.00 -2.67 4.77 -1.26 -3.21 117.00 117.38 3hq4 n LEU 35 Ca 0.00 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 3hq4 n LEU 35 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3hq4 n LEU 35 CO 0.00 0.68 0.00 1.07 -1.33 0.00 0.00 177.39 177.81 3hq4 n THR 36 N -0.99 0.00 -3.06 -5.08 5.66 -1.26 -5.05 114.28 104.49 3hq4 n THR 36 Ca 0.15 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.96 3hq4 n THR 36 Cb 0.65 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.48 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 -0.81 5.25 0.19 1.09 -4.77 -1.26 -4.72 116.67 111.64 3hq4 s ASP 37 Ca 0.00 -0.73 -0.01 0.00 -3.30 0.00 0.00 52.55 48.51 3hq4 s ASP 37 Cb 0.00 -0.00 0.11 0.00 -1.09 0.00 0.00 42.92 41.94 3hq4 s ASP 37 CO 0.00 -1.15 1.48 0.44 0.70 0.00 0.00 175.17 176.64 3hq4 h ASP 38 N 0.35 0.52 -0.75 2.11 3.32 -1.99 -2.27 116.42 117.70 3hq4 h ASP 38 Ca -0.33 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.45 3hq4 h ASP 38 Cb 1.29 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3hq4 h ASP 38 CO 0.43 1.02 0.47 -0.78 -1.72 0.00 0.00 179.24 178.65 3hq4 h ASP 39 N 0.33 0.75 -0.00 6.45 3.58 -1.96 0.03 116.42 125.60 3hq4 h ASP 39 Ca -0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 3hq4 h ASP 39 Cb 1.18 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.08 3hq4 h ASP 39 CO 0.11 0.51 -0.07 -0.03 -2.88 0.00 0.00 179.24 176.88 3hq4 h MET 40 N 0.89 0.05 -0.72 0.28 4.05 -1.94 -2.34 114.93 115.21 3hq4 h MET 40 Ca 0.31 -0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.80 3hq4 h MET 40 Cb 0.07 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 30.80 3hq4 h MET 40 CO -0.13 0.79 0.30 -0.07 0.23 0.00 0.00 176.91 178.02 3hq4 h LEU 41 N -0.66 0.30 -0.32 3.39 3.38 -1.34 -1.04 115.31 119.02 3hq4 h LEU 41 Ca -0.01 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hq4 h LEU 41 Cb 0.81 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3hq4 h LEU 41 CO 0.01 0.14 0.04 0.00 0.09 0.00 0.00 178.44 178.72 3hq4 h ALA 42 N 1.50 0.43 -1.00 1.53 0.00 -1.05 -1.95 119.26 118.72 3hq4 h ALA 42 Ca 0.38 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hq4 h ALA 42 Cb 0.54 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3hq4 h ALA 42 CO -0.36 0.14 0.66 1.25 0.00 0.00 0.00 179.25 180.94 3hq4 h HIS 43 N 0.36 1.25 0.00 0.00 -0.00 -0.97 -0.90 115.15 114.89 3hq4 h HIS 43 Ca 0.10 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.36 3hq4 h HIS 43 Cb 0.37 -0.42 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 3hq4 h HIS 43 CO 0.03 0.75 -0.65 -0.07 -0.00 0.00 0.00 177.93 177.98 3hq4 h LEU 44 N 1.31 0.00 -0.29 0.26 3.38 -1.02 -1.86 115.31 117.09 3hq4 h LEU 44 Ca 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3hq4 h LEU 44 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hq4 h LEU 44 CO -0.11 0.65 -0.13 0.25 0.09 0.00 0.00 178.44 179.20 3hq4 h LEU 45 N 0.00 0.61 -0.84 1.67 5.85 -1.09 -3.31 115.31 118.20 3hq4 h LEU 45 Ca -0.01 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3hq4 h LEU 45 Cb 1.47 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 3hq4 h LEU 45 CO 0.08 0.88 0.42 0.11 -0.34 0.00 0.00 178.44 179.60 3hq4 h LYS 46 N 0.35 1.20 -6.14 1.25 1.57 -0.91 -3.38 116.57 110.51 3hq4 h LYS 46 Ca 0.07 -0.16 -0.65 0.00 -1.87 0.00 0.00 60.65 58.03 3hq4 h LYS 46 Cb 0.64 -0.22 -0.30 0.00 0.08 0.00 0.00 32.23 32.43 3hq4 h LYS 46 CO 0.04 0.91 -0.87 0.71 -0.57 0.00 0.00 179.45 179.66 3hq4 s TYR 47 N -5.75 2.15 -0.22 -1.35 2.02 -0.72 -1.44 117.35 112.04 3hq4 s TYR 47 Ca -0.13 -0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 3hq4 s TYR 47 Cb 0.16 -1.40 0.11 0.00 -0.40 0.00 0.00 41.96 40.43 3hq4 s TYR 47 CO 0.83 -0.10 0.42 0.34 -1.57 0.00 0.00 175.55 175.47 3hq4 s ASP 48 N -0.38 -0.21 0.15 2.29 -1.08 -1.25 -4.58 116.67 111.61 3hq4 s ASP 48 Ca 0.04 0.80 -0.19 0.00 -0.52 0.00 0.00 52.55 52.69 3hq4 s ASP 48 Cb -0.11 1.36 0.04 0.00 -1.46 0.00 0.00 42.92 42.75 3hq4 s ASP 48 CO 0.01 -0.25 1.68 0.74 0.52 0.00 0.00 175.17 177.86 3hq4 h THR 49 N 6.16 0.66 0.01 1.71 2.02 -1.95 -1.49 112.91 120.03 3hq4 h THR 49 Ca -0.17 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.65 3hq4 h THR 49 Cb 1.12 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 3hq4 h THR 49 CO 0.17 0.00 -2.20 0.23 0.37 0.00 0.00 175.52 174.09 3hq4 n MET 50 N -5.27 0.68 0.00 6.66 2.81 -1.26 -4.48 117.12 116.26 3hq4 n MET 50 Ca -0.00 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.14 3hq4 n MET 50 Cb 0.19 -1.61 0.24 0.00 -0.71 0.00 0.00 33.22 31.32 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 -3.01 0.75 0.00 0.03 1.13 -1.23 -4.91 117.38 110.14 3hq4 n GLN 51 Ca -0.32 -0.51 0.00 0.00 -1.94 0.00 0.00 57.00 54.23 3hq4 n GLN 51 Cb 1.09 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.95 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 1.39 -0.97 3.74 1.08 0.00 -0.56 -4.94 105.19 104.92 3hq4 n GLY 52 Ca 0.10 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.69 4.17 0.16 1.61 0.52 -1.26 -3.78 118.95 118.67 3hq4 s ARG 53 Ca 0.00 2.49 -0.33 0.00 -0.52 0.00 0.00 55.73 57.37 3hq4 s ARG 53 Cb 0.00 -3.08 -0.13 0.00 0.52 0.00 0.00 34.95 32.26 3hq4 s ARG 53 CO 0.00 -0.62 1.65 0.34 0.02 0.00 0.00 175.30 176.69 3hq4 n PHE 54 N 3.01 2.43 -0.14 -0.53 7.35 -0.52 -4.90 117.46 124.16 3hq4 n PHE 54 Ca 0.11 0.16 -0.08 0.00 -0.76 0.00 0.00 57.45 56.88 3hq4 n PHE 54 Cb 0.38 -2.60 0.07 0.00 0.35 0.00 0.00 39.48 37.67 3hq4 n PHE 54 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3hq4 h THR 55 N 3.84 1.26 -3.24 -2.13 1.35 -1.93 -3.46 112.91 108.61 3hq4 h THR 55 Ca -0.45 -1.23 -0.41 0.00 -0.55 0.00 0.00 66.41 63.78 3hq4 h THR 55 Cb 1.24 1.00 0.21 0.00 -1.73 0.00 0.00 68.15 68.87 3hq4 h THR 55 CO 0.91 0.43 -0.01 -0.83 -0.25 0.00 0.00 175.52 175.77 3hq4 s GLY 56 N -3.72 1.49 -0.13 5.82 0.00 -1.26 -5.06 107.32 104.46 3hq4 s GLY 56 Ca -0.10 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 3hq4 s GLY 56 CO 0.85 0.22 0.16 -0.54 0.00 0.00 0.00 173.10 173.78 3hq4 s GLU 57 N -5.01 3.60 -0.06 2.90 0.41 -1.26 -4.98 118.70 114.30 3hq4 s GLU 57 Ca 0.69 -0.11 0.01 0.00 -0.41 0.00 0.00 54.97 55.16 3hq4 s GLU 57 Cb -0.15 -3.23 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 3hq4 s GLU 57 CO 0.59 0.69 -0.08 0.08 -0.49 0.00 0.00 175.26 176.04 3hq4 s VAL 58 N -0.78 0.85 -0.09 2.63 1.01 -1.26 -1.87 120.40 120.89 3hq4 s VAL 58 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3hq4 s VAL 58 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3hq4 s VAL 58 CO 0.04 0.30 -0.07 -0.70 0.00 0.00 0.00 175.10 174.66 3hq4 s GLU 59 N 0.89 1.37 0.10 2.72 2.12 -0.07 -4.97 118.70 120.87 3hq4 s GLU 59 Ca -0.11 -0.22 -0.31 0.00 0.36 0.00 0.00 54.97 54.70 3hq4 s GLU 59 Cb -0.15 -1.42 -0.09 0.00 0.26 0.00 0.00 34.13 32.73 3hq4 s GLU 59 CO 0.01 -0.21 1.67 0.08 -0.54 0.00 0.00 175.26 176.27 3hq4 s VAL 60 N 1.53 2.81 0.29 3.70 1.01 -1.26 0.45 120.40 128.92 3hq4 s VAL 60 Ca 0.01 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3hq4 s VAL 60 Cb -0.13 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hq4 s VAL 60 CO -0.05 0.01 0.05 1.33 0.00 0.00 0.00 175.10 176.43 3hq4 n VAL 61 N 4.55 0.00 -0.10 2.92 0.24 0.06 -4.89 118.33 121.10 3hq4 n VAL 61 Ca 0.16 -1.49 -0.09 0.00 -2.04 0.00 0.00 64.34 60.87 3hq4 n VAL 61 Cb 0.39 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 33.17 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 0.89 0.40 1.28 -1.34 3.58 -1.99 -3.01 116.42 116.24 3hq4 h ASP 62 Ca -0.23 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.11 3hq4 h ASP 62 Cb 0.78 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.73 3hq4 h ASP 62 CO 0.37 0.40 0.00 1.23 -2.88 0.00 0.00 179.24 178.36 3hq4 h GLY 63 N 0.38 0.00 0.00 -0.78 0.00 -1.97 -3.49 103.07 97.21 3hq4 h GLY 63 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hq4 h GLY 63 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 3hq4 n GLY 64 N 0.63 -0.68 3.18 4.60 0.00 -1.14 -1.52 105.19 110.26 3hq4 n GLY 64 Ca 0.03 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.05 -0.17 1.61 -0.71 -0.88 -0.76 117.98 117.13 3hq4 s PHE 65 Ca 0.00 -0.27 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 3hq4 s PHE 65 Cb 0.00 -0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 3hq4 s PHE 65 CO 0.00 -0.42 -0.05 0.50 -1.34 0.00 0.00 175.22 173.91 3hq4 s ARG 66 N -2.50 3.57 -0.25 1.99 3.52 0.17 -0.69 118.95 124.76 3hq4 s ARG 66 Ca -0.06 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 3hq4 s ARG 66 Cb -0.01 -2.90 0.05 0.00 -1.56 0.00 0.00 34.95 30.53 3hq4 s ARG 66 CO -0.04 0.14 -0.11 0.08 -0.81 0.00 0.00 175.30 174.56 3hq4 s VAL 67 N 0.63 2.21 -1.42 7.11 1.01 -0.24 -0.89 120.40 128.80 3hq4 s VAL 67 Ca -0.03 -1.53 -0.09 0.00 0.00 0.00 0.00 61.98 60.32 3hq4 s VAL 67 Cb -0.15 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.04 3hq4 s VAL 67 CO 0.02 0.04 0.66 0.59 0.00 0.00 0.00 175.10 176.41 3hq4 n ASN 68 N 4.47 -4.68 0.00 3.32 5.03 -0.78 -2.05 115.26 120.57 3hq4 n ASN 68 Ca -0.15 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 54.84 3hq4 n ASN 68 Cb 0.43 -3.80 0.00 0.00 -1.02 0.00 0.00 39.78 35.39 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 -1.41 2.07 3.77 7.41 0.00 -1.26 -5.05 105.19 110.73 3hq4 n GLY 69 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3hq4 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hq4 s LYS 70 N -0.45 4.03 0.14 1.61 -2.85 -0.87 -5.07 119.74 116.29 3hq4 s LYS 70 Ca 0.00 0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.68 3hq4 s LYS 70 Cb 0.00 -3.35 -0.07 0.00 -2.06 0.00 0.00 37.83 32.35 3hq4 s LYS 70 CO 0.00 0.42 1.00 -2.00 0.10 0.00 0.00 175.35 174.88 3hq4 s GLU 71 N -0.06 4.68 -0.14 1.78 2.12 -1.26 -1.08 118.70 124.73 3hq4 s GLU 71 Ca 0.15 1.54 0.00 0.00 0.36 0.00 0.00 54.97 57.02 3hq4 s GLU 71 Cb -0.13 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 3hq4 s GLU 71 CO 0.04 0.19 -0.14 0.08 -0.54 0.00 0.00 175.26 174.89 3hq4 s VAL 72 N -0.16 2.89 0.19 3.70 1.01 0.14 -4.90 120.40 123.27 3hq4 s VAL 72 Ca 0.47 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3hq4 s VAL 72 Cb -0.25 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 3hq4 s VAL 72 CO 0.31 0.52 0.72 -0.54 0.00 0.00 0.00 175.10 176.12 3hq4 s LYS 73 N 0.56 4.34 0.05 2.72 -0.14 -0.66 -2.06 119.74 124.54 3hq4 s LYS 73 Ca -0.09 0.94 0.07 0.00 -1.36 0.00 0.00 55.97 55.53 3hq4 s LYS 73 Cb -0.16 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 3hq4 s LYS 73 CO 0.04 0.47 -0.19 -1.54 -0.76 0.00 0.00 175.35 173.36 3hq4 s SER 74 N -1.46 2.31 0.15 2.83 1.04 -0.58 -0.28 113.70 117.72 3hq4 s SER 74 Ca 0.40 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.36 3hq4 s SER 74 Cb -0.19 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 3hq4 s SER 74 CO 0.22 0.12 -0.14 -0.36 0.98 0.00 0.00 173.24 174.07 3hq4 s PHE 75 N -0.85 1.47 -0.45 5.02 0.08 0.12 -4.80 117.98 118.57 3hq4 s PHE 75 Ca 0.06 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.57 3hq4 s PHE 75 Cb -0.09 -0.74 0.42 0.00 -0.57 0.00 0.00 43.02 42.04 3hq4 s PHE 75 CO 0.02 0.19 1.10 0.45 -0.10 0.00 0.00 175.22 176.88 3hq4 n SER 76 N 0.18 4.64 -4.12 1.36 2.88 -1.26 -2.14 113.62 115.16 3hq4 n SER 76 Ca -0.13 -3.70 -0.33 0.00 -1.33 0.00 0.00 58.87 53.38 3hq4 n SER 76 Cb 0.58 -0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 63.43 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 -3.53 2.31 0.32 -1.46 2.56 -1.20 -4.83 118.70 112.87 3hq4 s GLU 77 Ca 0.48 -1.32 0.04 0.00 0.00 0.00 0.00 54.97 54.17 3hq4 s GLU 77 Cb 0.39 -3.04 0.54 0.00 2.00 0.00 0.00 34.13 34.03 3hq4 s GLU 77 CO -0.18 -0.60 1.81 -1.35 -0.56 0.00 0.00 175.26 174.37 3hq4 h PRO 78 N 7.88 0.46 -5.58 4.30 0.11 -1.97 -3.40 132.00 133.79 3hq4 h PRO 78 Ca -0.20 -0.13 -0.64 0.00 0.11 0.00 0.00 66.00 65.15 3hq4 h PRO 78 Cb 1.05 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 31.97 3hq4 h PRO 78 CO 0.50 0.59 0.35 0.34 -0.21 0.00 0.00 178.00 179.57 3hq4 s ASP 79 N -6.79 6.33 0.58 -2.05 2.15 -1.26 -4.94 116.67 110.69 3hq4 s ASP 79 Ca -0.07 -0.43 0.36 0.00 0.43 0.00 0.00 52.55 52.84 3hq4 s ASP 79 Cb 0.15 -2.38 1.70 0.00 -0.30 0.00 0.00 42.92 42.09 3hq4 s ASP 79 CO 0.77 -1.03 2.11 0.00 -0.17 0.00 0.00 175.17 176.86 3hq4 h ALA 80 N 9.11 1.04 0.00 3.66 0.00 -1.93 -1.82 119.26 129.32 3hq4 h ALA 80 Ca -0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hq4 h ALA 80 Cb 1.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hq4 h ALA 80 CO 1.01 0.03 -0.04 0.66 0.00 0.00 0.00 179.25 180.91 3hq4 h SER 81 N 0.00 0.00 -0.02 0.00 4.64 -1.93 -2.50 113.55 113.75 3hq4 h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hq4 h SER 81 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hq4 h SER 81 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3hq4 n LYS 82 N -3.17 1.29 -2.99 4.77 4.76 -0.68 -4.46 118.16 117.68 3hq4 n LYS 82 Ca 0.00 -0.43 -0.34 0.00 -2.87 0.00 0.00 58.31 54.68 3hq4 n LYS 82 Cb 0.31 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.93 4.11 -0.28 -0.35 1.43 -0.94 -4.98 118.68 115.74 3hq4 s LEU 83 Ca 0.41 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.97 3hq4 s LEU 83 Cb 0.20 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 3hq4 s LEU 83 CO 0.34 -0.19 2.96 -0.81 0.23 0.00 0.00 176.35 178.87 3hq4 n PRO 84 N -0.14 2.17 -0.01 1.29 -0.04 -1.26 -4.70 135.00 132.31 3hq4 n PRO 84 Ca 0.03 -1.76 -0.05 0.00 -0.04 0.00 0.00 63.50 61.69 3hq4 n PRO 84 Cb 0.53 -2.01 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 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 2.79 0.63 -0.11 0.54 -0.00 -1.86 -2.81 115.95 115.13 3hq4 h TRP 85 Ca 0.30 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.89 59.02 3hq4 h TRP 85 Cb 1.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 30.01 3hq4 h TRP 85 CO 1.47 0.77 -0.06 1.57 -0.00 0.00 0.00 178.44 182.19 3hq4 h LYS 86 N 0.49 0.23 -1.10 0.49 2.10 -1.58 -1.49 116.57 115.71 3hq4 h LYS 86 Ca 0.07 -0.10 0.31 0.00 -2.00 0.00 0.00 60.65 58.92 3hq4 h LYS 86 Cb 0.71 -0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.93 3hq4 h LYS 86 CO 0.05 0.59 0.70 -0.44 -2.00 0.00 0.00 179.45 178.36 3hq4 h ASP 87 N -0.13 0.41 -0.61 7.07 3.32 -1.86 -1.15 116.42 123.47 3hq4 h ASP 87 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hq4 h ASP 87 Cb 0.53 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3hq4 h ASP 87 CO 0.02 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3hq4 n LEU 88 N -4.68 3.68 -3.98 1.55 4.77 -1.07 -4.99 117.00 112.28 3hq4 n LEU 88 Ca 0.28 -1.77 -0.26 0.00 -0.03 0.00 0.00 56.01 54.24 3hq4 n LEU 88 Cb 1.00 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3hq4 n LEU 88 CO 0.23 0.88 -0.25 0.59 -1.33 0.00 0.00 177.39 177.51 3hq4 n ASN 89 N 1.54 -0.22 -4.65 -1.43 4.13 -0.44 -4.86 115.26 109.34 3hq4 n ASN 89 Ca 0.22 -1.03 -0.43 0.00 1.68 0.00 0.00 54.58 55.03 3hq4 n ASN 89 Cb 0.60 -2.95 -0.03 0.00 -1.54 0.00 0.00 39.78 35.86 3hq4 n ASN 89 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hq4 s ILE 90 N -3.99 3.66 -0.02 2.41 -1.09 -0.90 -4.68 121.20 116.59 3hq4 s ILE 90 Ca 0.00 0.77 -0.22 0.00 -2.23 0.00 0.00 60.65 58.97 3hq4 s ILE 90 Cb -0.00 -3.57 -0.22 0.00 -1.58 0.00 0.00 42.46 37.09 3hq4 s ILE 90 CO 0.90 -0.14 1.09 0.44 -1.23 0.00 0.00 174.94 176.00 3hq4 h ASP 91 N 9.99 0.34 -3.62 3.58 3.32 -1.04 -1.64 116.42 127.34 3hq4 h ASP 91 Ca -0.36 -0.73 -0.26 0.00 0.02 0.00 0.00 57.03 55.69 3hq4 h ASP 91 Cb 1.17 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 3hq4 h ASP 91 CO 0.97 1.02 -0.72 -0.69 -1.72 0.00 0.00 179.24 178.10 3hq4 s VAL 92 N -3.31 -0.03 -0.13 -1.35 1.01 -0.89 -2.07 120.40 113.62 3hq4 s VAL 92 Ca -0.15 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3hq4 s VAL 92 Cb 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.30 3hq4 s VAL 92 CO 0.77 0.05 0.37 -0.69 0.00 0.00 0.00 175.10 175.60 3hq4 s VAL 93 N 0.57 5.24 -0.47 2.92 1.01 -0.18 -2.04 120.40 127.45 3hq4 s VAL 93 Ca -0.05 0.72 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 3hq4 s VAL 93 Cb -0.07 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.65 3hq4 s VAL 93 CO -0.02 0.38 0.54 -0.76 0.00 0.00 0.00 175.10 175.24 3hq4 s LEU 94 N 0.38 5.00 -0.54 3.92 1.43 -0.31 0.33 118.68 128.90 3hq4 s LEU 94 Ca 0.21 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.25 3hq4 s LEU 94 Cb -0.14 -2.41 0.08 0.00 0.03 0.00 0.00 46.19 43.75 3hq4 s LEU 94 CO 0.07 -0.76 0.66 -0.70 0.23 0.00 0.00 176.35 175.86 3hq4 s GLU 95 N 2.35 3.09 -0.13 1.70 2.56 0.41 -0.68 118.70 128.00 3hq4 s GLU 95 Ca 0.13 -1.08 0.17 0.00 0.00 0.00 0.00 54.97 54.19 3hq4 s GLU 95 Cb -0.19 -4.17 0.28 0.00 2.00 0.00 0.00 34.13 32.05 3hq4 s GLU 95 CO 0.12 -1.36 1.14 0.00 -0.56 0.00 0.00 175.26 174.60 3hq4 h THR 97 N 0.74 1.32 0.00 0.00 1.35 -1.73 -3.44 112.91 111.15 3hq4 h THR 97 Ca -0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3hq4 h THR 97 Cb 1.04 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 3hq4 h THR 97 CO 0.00 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3hq4 n GLY 98 N 1.26 0.82 0.00 5.82 0.00 -1.26 -4.90 105.19 106.93 3hq4 n GLY 98 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.13 0.00 -2.03 1.61 3.72 -1.26 -4.58 117.46 112.79 3hq4 n PHE 99 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 3hq4 n PHE 99 Cb 0.00 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.14 2.86 -1.50 1.38 4.01 -1.26 -4.93 117.16 116.57 3hq4 n TYR 100 Ca 0.00 -2.37 -0.31 0.00 -0.16 0.00 0.00 57.90 55.06 3hq4 n TYR 100 Cb 0.05 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 38.64 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 -0.70 4.11 -3.63 -0.72 -2.24 -1.26 -4.13 114.28 105.71 3hq4 n THR 101 Ca 0.45 -2.99 -0.11 0.00 -2.27 0.00 0.00 64.05 59.13 3hq4 n THR 101 Cb 0.91 -2.09 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.16 -0.75 0.21 3.42 2.15 -1.26 -1.93 116.67 119.67 3hq4 s ASP 102 Ca 0.62 1.36 -0.09 0.00 0.43 0.00 0.00 52.55 54.87 3hq4 s ASP 102 Cb 0.26 1.36 0.24 0.00 -0.30 0.00 0.00 42.92 44.47 3hq4 s ASP 102 CO -0.10 -0.23 1.83 0.50 -0.17 0.00 0.00 175.17 177.00 3hq4 h LYS 103 N 5.49 0.76 -0.08 4.34 3.64 -1.40 0.11 116.57 129.43 3hq4 h LYS 103 Ca -0.29 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.91 3hq4 h LYS 103 Cb 1.18 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3hq4 h LYS 103 CO 0.10 0.50 -0.48 -0.44 -2.27 0.00 0.00 179.45 176.86 3hq4 h ASP 104 N 0.79 0.56 0.21 4.20 3.32 -1.95 -2.28 116.42 121.26 3hq4 h ASP 104 Ca 0.31 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3hq4 h ASP 104 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3hq4 h ASP 104 CO -0.16 1.13 -0.16 0.11 -1.72 0.00 0.00 179.24 178.44 3hq4 h LYS 105 N 0.03 -0.37 -0.37 3.56 1.57 -1.88 -3.04 116.57 116.07 3hq4 h LYS 105 Ca -0.04 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3hq4 h LYS 105 Cb 1.14 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3hq4 h LYS 105 CO 0.10 -0.25 0.30 0.00 -0.57 0.00 0.00 179.45 179.03 3hq4 h ALA 106 N 0.38 2.24 -0.59 3.86 0.00 -0.94 0.25 119.26 124.45 3hq4 h ALA 106 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3hq4 h ALA 106 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hq4 h ALA 106 CO -0.01 -0.49 0.50 0.37 0.00 0.00 0.00 179.25 179.62 3hq4 h GLN 107 N 0.00 0.00 -1.00 0.00 5.75 -1.28 -1.11 115.11 117.47 3hq4 h GLN 107 Ca 0.18 0.00 0.27 0.00 -0.15 0.00 0.00 58.65 58.94 3hq4 h GLN 107 Cb 0.77 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.19 3hq4 h GLN 107 CO -0.00 0.00 0.58 0.00 -2.65 0.00 0.00 178.83 176.76 3hq4 h ALA 108 N 1.56 1.82 -0.98 3.38 0.00 -1.10 -0.28 119.26 123.66 3hq4 h ALA 108 Ca 0.28 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.37 3hq4 h ALA 108 Cb 1.28 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3hq4 h ALA 108 CO -0.00 -0.36 0.64 0.45 0.00 0.00 0.00 179.25 179.98 3hq4 h HIS 109 N 0.50 1.21 -0.09 0.00 3.86 -1.43 -2.06 115.15 117.15 3hq4 h HIS 109 Ca 0.67 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.89 3hq4 h HIS 109 Cb 1.35 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 3hq4 h HIS 109 CO -0.01 0.72 -0.03 0.82 0.86 0.00 0.00 177.93 180.28 3hq4 h ILE 110 N 1.27 1.30 -0.90 2.45 1.08 -1.24 -2.56 117.51 118.91 3hq4 h ILE 110 Ca 0.38 -0.98 0.25 0.00 -0.39 0.00 0.00 64.86 64.12 3hq4 h ILE 110 Cb -0.04 1.76 -0.15 0.00 -3.07 0.00 0.00 36.82 35.33 3hq4 h ILE 110 CO -0.11 0.28 0.26 -0.33 -0.69 0.00 0.00 178.15 177.55 3hq4 h GLU 111 N -0.15 0.19 0.00 2.37 5.08 -1.28 -0.53 114.58 120.26 3hq4 h GLU 111 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hq4 h GLU 111 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hq4 h GLU 111 CO 0.01 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 3hq4 n ALA 112 N -2.69 2.27 0.00 3.43 0.00 -0.78 -4.90 120.51 117.84 3hq4 n ALA 112 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hq4 n ALA 112 Cb 0.72 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3hq4 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hq4 n GLY 113 N 1.02 1.01 3.78 0.00 0.00 -0.21 -2.25 105.19 108.55 3hq4 n GLY 113 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.88 3.10 0.09 4.61 0.00 -0.99 -4.00 121.76 122.68 3hq4 s ALA 114 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 3hq4 s ALA 114 Cb 0.00 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 3hq4 s ALA 114 CO 0.00 -0.13 1.30 0.87 0.00 0.00 0.00 175.76 177.80 3hq4 h LYS 115 N 2.54 0.74 -4.23 0.00 1.57 -1.36 -3.38 116.57 112.44 3hq4 h LYS 115 Ca -0.48 -0.58 -0.15 0.00 -1.87 0.00 0.00 60.65 57.57 3hq4 h LYS 115 Cb 1.21 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 3hq4 h LYS 115 CO 0.63 1.19 -0.56 0.15 -0.57 0.00 0.00 179.45 180.29 3hq4 s LYS 116 N -3.79 0.92 -0.06 3.15 1.02 -0.88 -4.83 119.74 115.27 3hq4 s LYS 116 Ca -0.11 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.59 3hq4 s LYS 116 Cb 0.08 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.68 3hq4 s LYS 116 CO 0.88 -0.27 -0.10 0.08 -0.92 0.00 0.00 175.35 175.03 3hq4 s VAL 117 N -3.99 0.92 -0.25 3.17 1.01 0.18 -1.01 120.40 120.43 3hq4 s VAL 117 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3hq4 s VAL 117 Cb 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.60 3hq4 s VAL 117 CO -0.02 0.31 -0.06 -0.22 0.00 0.00 0.00 175.10 175.12 3hq4 s LEU 118 N 0.72 3.23 -0.18 3.92 2.96 0.15 -1.59 118.68 127.89 3hq4 s LEU 118 Ca -0.13 -0.89 -0.20 0.00 -0.22 0.00 0.00 54.13 52.69 3hq4 s LEU 118 Cb -0.15 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3hq4 s LEU 118 CO 0.03 -0.13 0.57 -0.63 -1.32 0.00 0.00 176.35 174.87 3hq4 s ILE 119 N 1.32 5.07 0.00 6.68 1.01 0.04 -0.44 121.20 134.89 3hq4 s ILE 119 Ca -0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3hq4 s ILE 119 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3hq4 s ILE 119 CO -0.04 0.17 1.08 -1.54 0.00 0.00 0.00 174.94 174.60 3hq4 n SER 120 N 4.74 2.96 -3.47 3.58 3.41 0.15 -0.38 113.62 124.61 3hq4 n SER 120 Ca -0.03 -1.71 -0.04 0.00 -0.26 0.00 0.00 58.87 56.83 3hq4 n SER 120 Cb 0.50 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.59 -1.53 0.50 7.33 0.00 -1.23 -4.93 121.76 122.50 3hq4 s ALA 121 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 3hq4 s ALA 121 Cb 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 3hq4 s ALA 121 CO 0.00 -1.05 1.27 -2.14 0.00 0.00 0.00 175.76 173.84 3hq4 s PRO 122 N -2.63 3.45 0.02 0.00 0.02 -1.23 -3.82 135.00 130.80 3hq4 s PRO 122 Ca 0.17 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.22 3hq4 s PRO 122 Cb -0.02 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 3hq4 s PRO 122 CO 0.05 -0.88 -0.05 0.00 -0.33 0.00 0.00 177.00 175.79 3hq4 s ALA 123 N -1.42 0.33 0.81 -1.55 0.00 -1.26 -4.84 121.76 113.84 3hq4 s ALA 123 Ca 0.68 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.08 3hq4 s ALA 123 Cb -0.35 0.02 0.10 0.00 0.00 0.00 0.00 23.12 22.89 3hq4 s ALA 123 CO 0.42 -0.01 1.17 0.95 0.00 0.00 0.00 175.76 178.28 3hq4 s THR 124 N -0.82 2.06 0.00 0.00 -4.23 -0.81 -4.89 115.64 106.95 3hq4 s THR 124 Ca -0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 3hq4 s THR 124 Cb -0.06 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3hq4 s THR 124 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3hq4 n GLY 125 N -3.31 -2.84 2.88 3.99 0.00 -1.26 -1.08 105.19 103.57 3hq4 n GLY 125 Ca 0.09 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.17 5.16 -4.10 1.61 4.64 -1.26 -4.91 116.55 117.52 3hq4 n ASP 126 Ca 0.00 -3.13 -0.14 0.00 -1.38 0.00 0.00 54.79 50.15 3hq4 n ASP 126 Cb 0.00 -1.47 -0.10 0.00 -1.04 0.00 0.00 41.12 38.52 3hq4 n ASP 126 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3hq4 s LEU 127 N -0.27 1.29 0.11 -2.67 0.05 -1.26 -5.07 118.68 110.87 3hq4 s LEU 127 Ca 0.39 -1.44 -0.07 0.00 0.05 0.00 0.00 54.13 53.06 3hq4 s LEU 127 Cb 0.09 0.36 -0.06 0.00 -2.05 0.00 0.00 46.19 44.53 3hq4 s LEU 127 CO 0.01 -0.86 0.39 -0.54 -0.55 0.00 0.00 176.35 174.80 3hq4 s LYS 128 N -4.05 3.68 -0.26 1.48 1.02 -1.26 -4.95 119.74 115.40 3hq4 s LYS 128 Ca 0.39 0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 3hq4 s LYS 128 Cb 0.06 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3hq4 s LYS 128 CO 0.14 0.50 0.00 0.99 -0.92 0.00 0.00 175.35 176.07 3hq4 s THR 129 N -1.55 3.50 -0.18 2.17 2.01 -1.26 -1.34 115.64 118.99 3hq4 s THR 129 Ca 0.38 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3hq4 s THR 129 Cb -0.13 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3hq4 s THR 129 CO 0.21 0.23 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 3hq4 s ILE 130 N 1.45 3.17 -0.29 1.82 -1.09 -0.72 -4.49 121.20 121.05 3hq4 s ILE 130 Ca 0.03 -0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 57.81 3hq4 s ILE 130 Cb -0.16 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.34 3hq4 s ILE 130 CO -0.01 0.48 0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 3hq4 s VAL 131 N 0.95 3.79 0.24 2.92 1.01 -1.26 -3.68 120.40 124.36 3hq4 s VAL 131 Ca -0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 3hq4 s VAL 131 Cb -0.15 -2.95 -0.14 0.00 0.00 0.00 0.00 36.38 33.15 3hq4 s VAL 131 CO -0.00 0.10 1.34 0.33 0.00 0.00 0.00 175.10 176.87 3hq4 n PHE 132 N 4.83 1.99 -0.98 5.22 -0.00 -1.26 -1.22 117.46 126.04 3hq4 n PHE 132 Ca -0.15 0.50 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 3hq4 n PHE 132 Cb 0.48 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.54 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 1.97 -4.24 -0.01 -2.13 3.02 -1.26 -4.82 115.26 107.78 3hq4 n ASN 133 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.62 3hq4 n ASN 133 Cb 0.31 -1.97 -0.01 0.00 -0.61 0.00 0.00 39.78 37.49 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 -2.46 0.52 -2.22 3.41 -1.04 -0.36 -4.94 114.28 107.18 3hq4 n THR 134 Ca 0.00 0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.08 3hq4 n THR 134 Cb 0.24 -1.61 0.05 0.00 -1.82 0.00 0.00 70.33 67.19 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 -3.33 0.97 0.25 8.00 6.94 -0.89 -4.88 115.26 122.31 3hq4 n ASN 135 Ca -0.08 -2.31 0.12 0.00 -0.02 0.00 0.00 54.58 52.30 3hq4 n ASN 135 Cb 0.45 -0.32 0.64 0.00 -2.36 0.00 0.00 39.78 38.19 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 0.77 0.00 0.00 -2.53 2.07 -1.92 -1.90 115.15 111.63 3hq4 h HIS 136 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 3hq4 h HIS 136 Cb 1.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.63 3hq4 h HIS 136 CO 0.24 0.15 0.00 1.04 -3.07 0.00 0.00 177.93 176.29 3hq4 n GLN 137 N -3.48 0.02 0.05 5.12 6.02 -1.26 -1.41 117.38 122.43 3hq4 n GLN 137 Ca -0.01 0.44 0.11 0.00 -0.01 0.00 0.00 57.00 57.52 3hq4 n GLN 137 Cb 0.31 -1.54 0.43 0.00 1.02 0.00 0.00 30.24 30.46 3hq4 n GLN 137 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hq4 n GLU 138 N -1.58 0.08 -2.52 -1.09 1.02 -0.72 -4.71 120.64 111.13 3hq4 n GLU 138 Ca 0.01 0.24 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 3hq4 n GLU 138 Cb 0.06 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 -3.58 4.05 0.00 -4.62 1.43 -0.50 -4.90 118.68 110.56 3hq4 s LEU 139 Ca 0.08 1.39 0.18 0.00 -1.03 0.00 0.00 54.13 54.76 3hq4 s LEU 139 Cb 0.12 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3hq4 s LEU 139 CO 0.40 -0.83 0.92 -0.90 0.23 0.00 0.00 176.35 176.17 3hq4 n ASP 140 N 6.80 1.69 0.00 2.29 5.68 -1.26 -4.99 116.55 126.76 3hq4 n ASP 140 Ca 0.13 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 3hq4 n ASP 140 Cb 0.46 0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 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 1.26 2.46 0.00 6.12 0.00 -1.26 -4.93 105.19 108.84 3hq4 n GLY 141 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 -4.78 1.61 3.41 -1.26 -4.85 113.62 107.75 3hq4 n SER 142 Ca 0.00 0.37 -0.37 0.00 -0.26 0.00 0.00 58.87 58.61 3hq4 n SER 142 Cb 0.00 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.89 4.41 0.00 4.33 8.01 -1.26 -4.95 118.70 126.35 3hq4 s GLU 143 Ca 0.11 1.50 0.00 0.00 0.01 0.00 0.00 54.97 56.59 3hq4 s GLU 143 Cb 0.12 -2.76 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 3hq4 s GLU 143 CO 0.33 0.09 0.00 2.41 0.01 0.00 0.00 175.26 178.10 3hq4 n THR 144 N 0.41 0.00 -4.59 3.63 -1.04 -1.26 -4.94 114.28 106.49 3hq4 n THR 144 Ca 0.03 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.78 3hq4 n THR 144 Cb 0.49 -0.74 -0.17 0.00 -1.82 0.00 0.00 70.33 68.09 3hq4 n THR 144 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hq4 s VAL 145 N -1.89 1.27 0.03 12.58 1.01 -1.26 -0.64 120.40 131.50 3hq4 s VAL 145 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3hq4 s VAL 145 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3hq4 s VAL 145 CO 0.00 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 3hq4 s VAL 146 N 0.75 0.37 -0.13 2.92 1.01 -0.62 -4.38 120.40 120.32 3hq4 s VAL 146 Ca -0.13 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 3hq4 s VAL 146 Cb -0.16 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3hq4 s VAL 146 CO 0.03 -0.38 0.10 -0.55 0.00 0.00 0.00 175.10 174.29 3hq4 s SER 147 N -1.41 6.01 -0.05 3.32 0.15 -0.45 -0.78 113.70 120.49 3hq4 s SER 147 Ca -0.11 0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.95 3hq4 s SER 147 Cb -0.09 -1.92 0.34 0.00 -1.71 0.00 0.00 66.02 62.64 3hq4 s SER 147 CO -0.00 0.35 1.19 0.61 1.20 0.00 0.00 173.24 176.59 3hq4 n GLY 148 N 2.35 1.30 7.00 9.45 0.00 0.49 -1.75 105.19 124.03 3hq4 n GLY 148 Ca -0.19 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.43 0.00 -2.57 4.61 0.00 -1.24 -4.70 120.51 117.04 3hq4 n ALA 149 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 3hq4 n ALA 149 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 4.27 0.09 0.00 1.04 -1.26 -3.49 113.70 110.34 3hq4 s SER 150 Ca 0.00 -1.36 -0.18 0.00 0.48 0.00 0.00 55.95 54.89 3hq4 s SER 150 Cb 0.00 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 3hq4 s SER 150 CO 0.00 -0.74 1.53 0.77 0.98 0.00 0.00 173.24 175.78 3hq4 h SER 151 N 1.33 0.46 -0.65 7.02 4.64 -1.91 -2.07 113.55 122.36 3hq4 h SER 151 Ca -0.42 -0.30 0.02 0.00 -0.47 0.00 0.00 61.79 60.62 3hq4 h SER 151 Cb 1.28 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 3hq4 h SER 151 CO 0.71 0.65 0.41 0.74 -0.87 0.00 0.00 176.83 178.47 3hq4 h THR 152 N 0.26 1.12 -0.31 2.95 2.02 -1.96 -1.20 112.91 115.78 3hq4 h THR 152 Ca 0.08 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3hq4 h THR 152 Cb 0.41 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3hq4 h THR 152 CO 0.01 0.15 0.18 0.74 0.37 0.00 0.00 175.52 176.97 3hq4 h THR 153 N 0.83 1.03 -0.58 3.16 2.02 -1.86 -0.25 112.91 117.26 3hq4 h THR 153 Ca 0.25 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.35 3hq4 h THR 153 Cb -0.03 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3hq4 h THR 153 CO -0.08 0.07 0.38 0.78 0.37 0.00 0.00 175.52 177.04 3hq4 h ASN 154 N 0.37 0.55 0.26 4.18 2.35 -1.10 0.31 115.58 122.50 3hq4 h ASN 154 Ca 0.12 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 3hq4 h ASN 154 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3hq4 h ASN 154 CO -0.06 0.38 -0.57 0.77 -1.65 0.00 0.00 177.43 176.30 3hq4 h SER 155 N 0.64 0.36 0.13 5.81 4.64 -0.58 -3.38 113.55 121.17 3hq4 h SER 155 Ca 0.24 -0.19 -0.34 0.00 -0.47 0.00 0.00 61.79 61.02 3hq4 h SER 155 Cb 0.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3hq4 h SER 155 CO -0.07 0.85 -1.83 0.25 -0.87 0.00 0.00 176.83 175.17 3hq4 h LEU 156 N 0.24 0.43 -0.37 5.97 5.85 -0.03 -3.40 115.31 124.00 3hq4 h LEU 156 Ca 0.00 -0.91 0.08 0.00 0.84 0.00 0.00 57.88 57.89 3hq4 h LEU 156 Cb 1.07 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.87 3hq4 h LEU 156 CO 0.09 1.79 -0.32 0.00 -0.34 0.00 0.00 178.44 179.67 3hq4 h ALA 157 N 0.02 -0.18 -0.11 1.25 0.00 -1.15 -0.72 119.26 118.36 3hq4 h ALA 157 Ca -0.39 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3hq4 h ALA 157 Cb 1.96 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 3hq4 h ALA 157 CO 0.08 -0.72 -0.14 -1.00 0.00 0.00 0.00 179.25 177.47 3hq4 h PRO 158 N -0.26 0.18 0.04 0.00 0.13 -1.81 0.26 132.00 130.55 3hq4 h PRO 158 Ca 0.16 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hq4 h PRO 158 Cb 0.53 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3hq4 h PRO 158 CO -0.51 0.33 -0.02 0.28 -0.23 0.00 0.00 178.00 177.85 3hq4 h VAL 159 N 0.17 1.23 -0.69 1.56 2.07 -1.52 -2.86 116.25 116.21 3hq4 h VAL 159 Ca 0.03 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3hq4 h VAL 159 Cb 0.36 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3hq4 h VAL 159 CO 0.02 0.23 0.24 0.00 0.02 0.00 0.00 177.57 178.09 3hq4 h ALA 160 N 0.45 1.13 -0.22 1.67 0.00 -0.99 -1.99 119.26 119.31 3hq4 h ALA 160 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3hq4 h ALA 160 Cb 0.43 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3hq4 h ALA 160 CO 0.01 0.61 -0.16 -0.22 0.00 0.00 0.00 179.25 179.49 3hq4 h LYS 161 N 1.01 -0.15 -0.57 0.00 1.63 -1.00 -0.25 116.57 117.23 3hq4 h LYS 161 Ca 0.23 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 3hq4 h LYS 161 Cb 0.24 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 3hq4 h LYS 161 CO -0.01 -0.10 0.03 0.28 -3.45 0.00 0.00 179.45 176.19 3hq4 h VAL 162 N -0.16 1.26 -0.57 2.00 2.07 -1.24 0.43 116.25 120.04 3hq4 h VAL 162 Ca 0.13 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3hq4 h VAL 162 Cb 0.35 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hq4 h VAL 162 CO -0.32 0.39 0.24 -0.07 0.02 0.00 0.00 177.57 177.84 3hq4 h LEU 163 N 0.89 0.77 -0.10 2.57 3.38 -1.20 -0.98 115.31 120.64 3hq4 h LEU 163 Ca 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hq4 h LEU 163 Cb 0.51 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hq4 h LEU 163 CO 0.02 0.72 -0.05 -1.13 0.09 0.00 0.00 178.44 178.09 3hq4 h ASN 164 N 0.78 0.21 -0.78 -0.43 -1.24 -0.71 -1.60 115.58 111.81 3hq4 h ASN 164 Ca 0.19 -0.42 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 3hq4 h ASN 164 Cb 0.17 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 3hq4 h ASN 164 CO -0.02 0.58 0.32 0.44 -1.29 0.00 0.00 177.43 177.46 3hq4 h ASP 165 N -0.15 1.07 0.49 1.15 3.32 -0.80 -0.62 116.42 120.87 3hq4 h ASP 165 Ca 0.02 -0.16 -0.29 0.00 0.02 0.00 0.00 57.03 56.62 3hq4 h ASP 165 Cb 0.50 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3hq4 h ASP 165 CO 0.01 0.94 -1.68 0.44 -1.72 0.00 0.00 179.24 177.23 3hq4 h ASP 166 N 1.13 0.05 0.00 6.45 5.19 -1.24 -3.40 116.42 124.60 3hq4 h ASP 166 Ca 0.26 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3hq4 h ASP 166 Cb 0.20 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3hq4 h ASP 166 CO -0.02 1.10 -0.26 0.49 -3.12 0.00 0.00 179.24 177.43 3hq4 n PHE 167 N -3.12 0.00 -1.38 4.55 3.72 -0.63 -4.98 117.46 115.62 3hq4 n PHE 167 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3hq4 n PHE 167 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 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 1.21 -2.78 3.67 1.37 0.00 -0.24 -1.72 105.19 106.69 3hq4 n GLY 168 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 4.13 -0.11 0.99 2.96 -1.26 -0.76 118.68 124.64 3hq4 s LEU 169 Ca 0.00 1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 55.29 3hq4 s LEU 169 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3hq4 s LEU 169 CO 0.00 -0.62 -0.09 0.58 -1.32 0.00 0.00 176.35 174.90 3hq4 h VAL 170 N 5.37 0.00 -2.97 1.68 2.07 -1.56 -3.47 116.25 117.37 3hq4 h VAL 170 Ca -0.22 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3hq4 h VAL 170 Cb 1.08 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 3hq4 h VAL 170 CO 0.95 0.00 0.23 -1.83 0.02 0.00 0.00 177.57 176.94 3hq4 s GLU 171 N -1.84 1.49 0.12 1.57 -1.05 -1.18 -4.85 118.70 112.96 3hq4 s GLU 171 Ca -0.07 -0.70 -0.25 0.00 -0.15 0.00 0.00 54.97 53.80 3hq4 s GLU 171 Cb 0.01 0.59 0.07 0.00 -0.44 0.00 0.00 34.13 34.36 3hq4 s GLU 171 CO 0.11 -0.67 0.76 0.20 0.95 0.00 0.00 175.26 176.61 3hq4 s GLY 172 N -2.82 -0.45 0.07 -3.83 0.00 0.46 -0.84 107.32 99.91 3hq4 s GLY 172 Ca 0.06 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.36 3hq4 s GLY 172 CO -0.04 0.17 -0.15 1.08 0.00 0.00 0.00 173.10 174.17 3hq4 s LEU 173 N -2.70 2.27 0.02 0.66 1.43 0.39 -2.40 118.68 118.35 3hq4 s LEU 173 Ca 0.05 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3hq4 s LEU 173 Cb -0.02 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 3hq4 s LEU 173 CO -0.07 -0.05 -0.17 -0.32 0.23 0.00 0.00 176.35 175.97 3hq4 s MET 174 N -1.71 1.20 -0.08 1.70 -2.45 0.18 0.30 119.30 118.44 3hq4 s MET 174 Ca -0.01 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.70 3hq4 s MET 174 Cb -0.10 -1.22 0.02 0.00 1.25 0.00 0.00 34.83 34.78 3hq4 s MET 174 CO 0.02 0.32 -0.09 0.99 1.05 0.00 0.00 175.02 177.31 3hq4 s THR 175 N -0.66 1.02 -0.25 10.11 2.01 -0.17 -1.64 115.64 126.05 3hq4 s THR 175 Ca 0.05 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 3hq4 s THR 175 Cb -0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3hq4 s THR 175 CO 0.01 0.35 0.13 0.28 -0.69 0.00 0.00 174.62 174.69 3hq4 s THR 176 N 1.11 4.90 -0.50 -0.82 -1.32 -0.60 -0.94 115.64 117.47 3hq4 s THR 176 Ca -0.06 0.03 -0.23 0.00 -1.21 0.00 0.00 61.69 60.21 3hq4 s THR 176 Cb -0.14 -3.30 0.04 0.00 -1.51 0.00 0.00 72.50 67.58 3hq4 s THR 176 CO -0.01 0.31 0.84 -0.63 -2.21 0.00 0.00 174.62 172.92 3hq4 s ILE 177 N 1.49 4.56 -0.04 5.08 1.09 0.68 -0.41 121.20 133.65 3hq4 s ILE 177 Ca 0.06 0.27 0.07 0.00 -1.10 0.00 0.00 60.65 59.95 3hq4 s ILE 177 Cb -0.15 -4.42 -0.02 0.00 -1.06 0.00 0.00 42.46 36.82 3hq4 s ILE 177 CO 0.07 -0.90 -0.24 -2.28 -0.10 0.00 0.00 174.94 171.48 3hq4 s HIS 178 N 3.51 2.41 0.58 3.97 2.46 -0.39 -0.48 115.29 127.35 3hq4 s HIS 178 Ca 0.29 -0.52 -0.20 0.00 0.47 0.00 0.00 55.06 55.09 3hq4 s HIS 178 Cb -0.13 -1.55 -0.04 0.00 -0.13 0.00 0.00 32.58 30.72 3hq4 s HIS 178 CO 0.20 -0.09 1.15 0.00 -2.47 0.00 0.00 174.74 173.53 3hq4 n ALA 179 N 2.63 0.79 -1.78 1.58 0.00 -1.22 -1.36 120.51 121.15 3hq4 n ALA 179 Ca -0.17 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 3hq4 n ALA 179 Cb 0.51 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.40 2.74 0.44 0.00 -0.85 -1.09 -4.75 117.35 112.44 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 -0.42 -3.29 -0.06 0.00 0.38 0.00 0.00 41.96 38.58 3hq4 s TYR 180 CO 0.47 -1.49 0.02 0.95 -1.52 0.00 0.00 175.55 173.98 3hq4 s THR 181 N -1.74 1.76 -0.55 -3.49 -4.23 -1.26 -4.69 115.64 101.44 3hq4 s THR 181 Ca 0.70 -1.98 0.18 0.00 -1.18 0.00 0.00 61.69 59.42 3hq4 s THR 181 Cb -0.24 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.04 3hq4 s THR 181 CO 0.28 0.00 1.55 0.61 -0.54 0.00 0.00 174.62 176.52 3hq4 n GLY 182 N -1.08 -0.98 0.32 3.99 0.00 -1.26 -2.16 105.19 104.00 3hq4 n GLY 182 Ca -0.09 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hq4 n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hq4 n ASP 183 N -2.02 1.21 -4.85 1.61 3.85 -1.26 -4.81 116.55 110.29 3hq4 n ASP 183 Ca 0.01 -1.06 -0.32 0.00 -0.71 0.00 0.00 54.79 52.71 3hq4 n ASP 183 Cb 0.12 0.14 -0.05 0.00 -1.35 0.00 0.00 41.12 39.98 3hq4 n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3hq4 s GLN 184 N -2.41 3.99 0.35 0.11 -0.21 -0.92 -4.93 119.66 115.63 3hq4 s GLN 184 Ca 0.26 0.74 -0.20 0.00 0.02 0.00 0.00 55.36 56.18 3hq4 s GLN 184 Cb 0.19 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.77 3hq4 s GLN 184 CO 0.49 0.02 0.86 -0.80 -2.12 0.00 0.00 175.29 173.74 3hq4 s ASN 185 N -2.57 7.01 0.10 5.90 0.01 -0.97 -4.89 114.94 119.53 3hq4 s ASN 185 Ca 0.56 1.58 -0.16 0.00 -0.71 0.00 0.00 52.86 54.12 3hq4 s ASN 185 Cb -0.10 -2.49 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 3hq4 s ASN 185 CO 0.22 -0.19 1.47 0.74 -1.51 0.00 0.00 177.10 177.83 3hq4 h THR 186 N 2.22 1.29 -2.37 1.60 2.02 -1.91 -1.57 112.91 114.19 3hq4 h THR 186 Ca -0.48 -1.22 -0.61 0.00 0.77 0.00 0.00 66.41 64.87 3hq4 h THR 186 Cb 1.18 1.44 -0.15 0.00 -1.74 0.00 0.00 68.15 68.89 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 -4.64 1.64 -0.03 6.66 -1.52 -1.26 -4.01 119.66 116.50 3hq4 s GLN 187 Ca -0.13 -1.73 -0.36 0.00 -1.95 0.00 0.00 55.36 51.20 3hq4 s GLN 187 Cb 0.08 -1.75 -0.14 0.00 -0.22 0.00 0.00 33.01 30.99 3hq4 s GLN 187 CO 0.80 0.33 1.69 -0.25 -0.25 0.00 0.00 175.29 177.61 3hq4 n ASP 188 N -0.49 2.88 -3.49 5.90 8.00 -1.26 -4.25 116.55 123.84 3hq4 n ASP 188 Ca -0.06 1.04 -0.09 0.00 0.71 0.00 0.00 54.79 56.39 3hq4 n ASP 188 Cb 0.59 -1.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.36 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 2.59 -1.78 0.50 2.24 0.00 -0.66 -4.92 121.76 119.71 3hq4 s ALA 189 Ca 0.89 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 53.56 3hq4 s ALA 189 Cb -0.80 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 3hq4 s ALA 189 CO 0.50 -0.69 0.99 -2.30 0.00 0.00 0.00 175.76 174.26 3hq4 n PRO 190 N -0.24 1.20 -4.63 0.00 -0.02 -1.26 -4.64 135.00 125.41 3hq4 n PRO 190 Ca -0.10 0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 3hq4 n PRO 190 Cb 0.62 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.38 2.92 0.34 6.00 2.46 -1.26 -4.96 115.29 119.40 3hq4 s HIS 191 Ca 0.68 -0.15 0.15 0.00 0.47 0.00 0.00 55.06 56.20 3hq4 s HIS 191 Cb -0.49 -1.77 1.10 0.00 -0.13 0.00 0.00 32.58 31.29 3hq4 s HIS 191 CO 0.53 0.17 1.64 0.00 -2.47 0.00 0.00 174.74 174.61 3hq4 h ARG 192 N 5.77 0.24 -0.51 2.88 3.08 -1.93 -1.47 114.38 122.43 3hq4 h ARG 192 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3hq4 h ARG 192 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3hq4 h ARG 192 CO 0.55 0.16 0.00 1.63 -1.07 0.00 0.00 179.97 181.24 3hq4 n LYS 193 N -5.12 3.14 -1.10 0.04 4.01 -1.26 -4.96 118.16 112.91 3hq4 n LYS 193 Ca 0.32 -2.56 -0.03 0.00 -0.51 0.00 0.00 58.31 55.53 3hq4 n LYS 193 Cb 1.01 -1.61 -0.01 0.00 -0.51 0.00 0.00 35.03 33.91 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 0.81 0.65 3.52 0.72 0.00 -0.55 -4.99 105.19 105.34 3hq4 n GLY 194 Ca 0.20 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.80 6.34 0.09 1.61 -1.08 -1.26 -4.89 116.67 114.69 3hq4 s ASP 195 Ca 0.00 -0.36 0.13 0.00 -0.52 0.00 0.00 52.55 51.80 3hq4 s ASP 195 Cb 0.00 -2.38 0.58 0.00 -1.46 0.00 0.00 42.92 39.65 3hq4 s ASP 195 CO 0.00 -1.01 1.40 0.29 0.52 0.00 0.00 175.17 176.36 3hq4 n LYS 196 N 6.85 0.05 -0.13 4.34 5.02 -1.26 -1.38 118.16 131.66 3hq4 n LYS 196 Ca 0.00 0.41 -0.20 0.00 -2.02 0.00 0.00 58.31 56.50 3hq4 n LYS 196 Cb 0.47 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.74 0.62 0.00 1.97 1.74 -1.26 -4.11 116.66 113.87 3hq4 n ARG 197 Ca 0.02 0.17 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3hq4 n ARG 197 Cb 0.11 -1.49 0.58 0.00 -1.02 0.00 0.00 32.46 30.64 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 -3.48 0.40 0.26 5.56 1.74 -1.06 -2.16 116.66 117.92 3hq4 n ARG 198 Ca -0.47 0.06 0.13 0.00 -0.77 0.00 0.00 57.85 56.81 3hq4 n ARG 198 Cb 0.95 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 31.57 3hq4 n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hq4 h ALA 199 N 3.12 1.15 -2.51 7.54 0.00 -1.38 -2.57 119.26 124.61 3hq4 h ALA 199 Ca 0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 3hq4 h ALA 199 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hq4 h ALA 199 CO 0.00 0.16 -0.34 1.03 0.00 0.00 0.00 179.25 180.10 3hq4 s ARG 200 N -3.97 3.52 -0.44 0.00 1.81 -0.92 -1.66 118.95 117.29 3hq4 s ARG 200 Ca -0.02 -0.36 -0.41 0.00 -1.72 0.00 0.00 55.73 53.23 3hq4 s ARG 200 Cb 0.12 -2.84 -0.16 0.00 -0.45 0.00 0.00 34.95 31.62 3hq4 s ARG 200 CO 0.58 0.40 2.14 0.00 -0.68 0.00 0.00 175.30 177.74 3hq4 n ALA 201 N -0.70 0.51 -0.24 2.13 0.00 -1.26 -4.23 120.51 116.72 3hq4 n ALA 201 Ca -0.05 0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3hq4 n ALA 201 Cb 0.54 -2.26 0.26 0.00 0.00 0.00 0.00 19.45 18.00 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 10.17 1.53 -0.70 0.00 0.00 -1.42 -3.01 119.26 125.83 3hq4 h ALA 202 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hq4 h ALA 202 Cb 1.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hq4 h ALA 202 CO 1.06 0.39 0.00 0.00 0.00 0.00 0.00 179.25 180.69 3hq4 n ALA 203 N -2.42 2.59 -0.06 0.00 0.00 -1.26 -4.08 120.51 115.28 3hq4 n ALA 203 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.20 3hq4 n ALA 203 Cb 0.13 -0.97 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 1.48 1.14 -3.83 0.00 -0.58 -1.14 -4.72 120.64 113.00 3hq4 n GLU 204 Ca 0.25 -1.01 -0.12 0.00 -0.42 0.00 0.00 57.16 55.86 3hq4 n GLU 204 Cb 0.69 -0.97 -0.10 0.00 -0.57 0.00 0.00 31.44 30.49 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 -0.52 -0.06 -0.29 1.62 -0.87 -1.24 -5.06 114.94 108.51 3hq4 s ASN 205 Ca 0.00 -0.06 -0.23 0.00 -1.57 0.00 0.00 52.86 51.00 3hq4 s ASN 205 Cb 0.00 0.26 -0.00 0.00 -0.02 0.00 0.00 41.25 41.49 3hq4 s ASN 205 CO 0.00 -0.37 0.77 -0.63 -2.57 0.00 0.00 177.10 174.30 3hq4 s ILE 206 N -1.24 4.83 -0.28 0.60 1.01 -1.26 -4.08 121.20 120.78 3hq4 s ILE 206 Ca -0.13 1.23 0.03 0.00 0.00 0.00 0.00 60.65 61.78 3hq4 s ILE 206 Cb -0.06 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.36 3hq4 s ILE 206 CO 0.02 -0.18 -0.07 -0.63 0.00 0.00 0.00 174.94 174.08 3hq4 s ILE 207 N 2.87 2.14 0.44 2.92 1.01 0.92 -4.94 121.20 126.56 3hq4 s ILE 207 Ca 0.32 -1.76 -0.25 0.00 0.00 0.00 0.00 60.65 58.96 3hq4 s ILE 207 Cb -0.14 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 3hq4 s ILE 207 CO 0.11 -0.16 1.28 -2.65 0.00 0.00 0.00 174.94 173.52 3hq4 n PRO 208 N 4.41 1.91 -3.59 2.79 -0.02 -1.26 -0.92 135.00 138.32 3hq4 n PRO 208 Ca -0.10 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 61.95 3hq4 n PRO 208 Cb 0.42 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 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 -0.57 -0.32 0.07 2.55 3.04 0.42 -4.87 114.94 115.27 3hq4 s ASN 209 Ca 0.62 -0.18 -0.16 0.00 0.04 0.00 0.00 52.86 53.18 3hq4 s ASN 209 Cb -0.49 0.49 -0.06 0.00 -1.54 0.00 0.00 41.25 39.64 3hq4 s ASN 209 CO 0.57 -0.84 0.50 -0.94 -3.04 0.00 0.00 177.10 173.35 3hq4 s SER 210 N -2.63 6.88 0.05 -4.21 1.04 -1.26 -0.64 113.70 112.93 3hq4 s SER 210 Ca 0.01 1.07 0.04 0.00 0.48 0.00 0.00 55.95 57.55 3hq4 s SER 210 Cb 0.01 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 3hq4 s SER 210 CO -0.10 0.24 -0.12 0.28 0.98 0.00 0.00 173.24 174.52 3hq4 s THR 211 N -1.22 0.93 -2.83 2.02 -1.32 -1.26 -4.83 115.64 107.13 3hq4 s THR 211 Ca 0.30 -1.07 0.24 0.00 -1.21 0.00 0.00 61.69 59.95 3hq4 s THR 211 Cb -0.17 -0.89 0.28 0.00 -1.51 0.00 0.00 72.50 70.21 3hq4 s THR 211 CO 0.17 -0.16 1.34 0.61 -2.21 0.00 0.00 174.62 174.37 3hq4 n GLY 212 N 1.66 1.06 0.29 6.08 0.00 -1.26 -4.63 105.19 108.39 3hq4 n GLY 212 Ca -0.20 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 4.63 -0.55 -0.25 4.61 0.00 -1.96 0.24 119.26 125.99 3hq4 h ALA 213 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hq4 h ALA 213 Cb 0.95 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hq4 h ALA 213 CO 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 179.25 178.48 3hq4 h ALA 214 N 0.07 0.33 -0.47 0.00 0.00 -1.89 -2.27 119.26 115.03 3hq4 h ALA 214 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3hq4 h ALA 214 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hq4 h ALA 214 CO -0.03 -0.03 -0.01 -0.22 0.00 0.00 0.00 179.25 178.96 3hq4 h LYS 215 N 0.23 0.78 -0.35 0.00 3.64 -1.57 -2.60 116.57 116.69 3hq4 h LYS 215 Ca 0.08 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hq4 h LYS 215 Cb 0.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3hq4 h LYS 215 CO -0.00 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 177.97 3hq4 n ALA 216 N -2.48 2.46 -0.31 5.00 0.00 0.83 -4.43 120.51 121.59 3hq4 n ALA 216 Ca 0.02 -0.78 0.35 0.00 0.00 0.00 0.00 53.44 53.03 3hq4 n ALA 216 Cb 0.30 -0.98 0.75 0.00 0.00 0.00 0.00 19.45 19.52 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 3.06 0.42 0.00 0.00 6.09 -0.99 0.47 117.51 126.56 3hq4 h ILE 217 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3hq4 h ILE 217 Cb 0.68 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.39 3hq4 h ILE 217 CO 0.00 0.00 0.00 1.23 -3.07 0.00 0.00 178.15 176.31 3hq4 h GLY 218 N 0.00 0.00 2.00 8.18 0.00 -1.77 0.44 103.07 111.91 3hq4 h GLY 218 Ca 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 3hq4 h GLY 218 CO -0.01 0.00 -0.22 0.50 0.00 0.00 0.00 176.54 176.81 3hq4 h LYS 219 N 0.00 0.00 0.03 4.80 1.57 -1.26 -3.14 116.57 118.56 3hq4 h LYS 219 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3hq4 h LYS 219 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3hq4 h LYS 219 CO 0.00 0.22 -2.38 0.28 -0.57 0.00 0.00 179.45 177.00 3hq4 n VAL 220 N -3.24 1.55 -3.83 0.50 0.31 -0.01 -4.58 118.33 109.02 3hq4 n VAL 220 Ca 0.02 -0.60 -0.30 0.00 -0.01 0.00 0.00 64.34 63.45 3hq4 n VAL 220 Cb 0.53 -1.46 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.53 1.49 0.34 2.52 1.01 -0.30 -4.67 121.20 119.07 3hq4 s ILE 221 Ca -0.32 -1.96 0.09 0.00 0.00 0.00 0.00 60.65 58.45 3hq4 s ILE 221 Cb 0.08 -2.10 0.09 0.00 0.01 0.00 0.00 42.46 40.55 3hq4 s ILE 221 CO 0.64 -0.69 1.81 -0.65 0.00 0.00 0.00 174.94 176.05 3hq4 h PRO 222 N 7.67 0.21 -0.05 2.79 0.11 -1.82 -2.94 132.00 137.96 3hq4 h PRO 222 Ca -0.08 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.97 3hq4 h PRO 222 Cb 1.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hq4 h PRO 222 CO 0.50 0.49 0.05 0.93 -0.21 0.00 0.00 178.00 179.75 3hq4 h GLU 223 N 0.19 0.00 -0.52 1.05 3.07 -1.95 -0.78 114.58 115.63 3hq4 h GLU 223 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3hq4 h GLU 223 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3hq4 h GLU 223 CO 0.04 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 178.09 3hq4 n ILE 224 N -4.18 1.71 -1.55 3.13 -5.35 -1.11 -5.01 119.36 106.99 3hq4 n ILE 224 Ca -0.02 -1.27 -0.56 0.00 -0.27 0.00 0.00 62.75 60.63 3hq4 n ILE 224 Cb 0.15 0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.73 0.78 0.00 7.28 2.03 -0.30 -1.74 116.55 125.33 3hq4 n ASP 225 Ca 0.22 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.67 3hq4 n ASP 225 Cb 0.78 -1.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 2.05 1.68 0.09 0.27 0.00 -1.26 -4.89 105.19 103.14 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 -4.47 1.61 5.02 -0.71 -4.90 118.16 112.99 3hq4 n LYS 227 Ca 0.00 -0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 3hq4 n LYS 227 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.85 2.22 0.35 -0.35 1.43 -1.26 -0.40 118.68 117.82 3hq4 s LEU 228 Ca 0.14 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3hq4 s LEU 228 Cb 0.18 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3hq4 s LEU 228 CO 0.68 0.10 0.55 -0.62 0.23 0.00 0.00 176.35 177.30 3hq4 s ASP 229 N -1.46 0.71 0.00 2.29 2.15 -1.01 -3.70 116.67 115.64 3hq4 s ASP 229 Ca 0.06 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.64 3hq4 s ASP 229 Cb -0.09 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3hq4 s ASP 229 CO 0.03 -1.39 0.00 0.61 -0.17 0.00 0.00 175.17 174.24 3hq4 n GLY 230 N -0.56 -0.48 0.00 2.66 0.00 -1.26 -0.65 105.19 104.90 3hq4 n GLY 230 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.43 3.99 3.12 -0.02 0.00 -0.65 -4.30 105.19 106.90 3hq4 n GLY 231 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.60 0.78 -0.18 4.61 0.00 0.19 -1.55 121.76 124.01 3hq4 s ALA 232 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 3hq4 s ALA 232 Cb 0.00 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.31 3hq4 s ALA 232 CO 0.00 -0.19 -0.03 -0.65 0.00 0.00 0.00 175.76 174.89 3hq4 s GLN 233 N -3.12 1.24 -0.08 0.00 -1.52 0.45 -0.43 119.66 116.20 3hq4 s GLN 233 Ca 0.04 -0.52 -0.22 0.00 -1.95 0.00 0.00 55.36 52.71 3hq4 s GLN 233 Cb 0.01 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 3hq4 s GLN 233 CO -0.04 -0.49 0.64 1.03 -0.25 0.00 0.00 175.29 176.18 3hq4 s ARG 234 N 1.67 4.41 0.18 2.91 1.81 -0.10 -1.26 118.95 128.57 3hq4 s ARG 234 Ca -0.00 0.76 0.05 0.00 -1.72 0.00 0.00 55.73 54.82 3hq4 s ARG 234 Cb -0.16 -3.44 -0.05 0.00 -0.45 0.00 0.00 34.95 30.85 3hq4 s ARG 234 CO -0.07 0.09 -0.08 0.14 -0.68 0.00 0.00 175.30 174.70 3hq4 s VAL 235 N 0.74 1.24 -0.75 3.52 -7.23 -0.47 -0.06 120.40 117.40 3hq4 s VAL 235 Ca 0.34 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 3hq4 s VAL 235 Cb -0.17 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 3hq4 s VAL 235 CO 0.16 -0.59 2.33 -2.65 -0.31 0.00 0.00 175.10 174.04 3hq4 n PRO 236 N -0.30 2.07 -4.96 4.82 -0.02 -1.26 -3.04 135.00 132.31 3hq4 n PRO 236 Ca -0.08 -1.32 -0.32 0.00 -2.02 0.00 0.00 63.50 59.75 3hq4 n PRO 236 Cb 0.62 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.78 2.85 0.02 -1.45 -7.23 -1.26 -5.04 120.40 111.07 3hq4 s VAL 237 Ca 0.44 -0.79 0.27 0.00 -1.81 0.00 0.00 61.98 60.09 3hq4 s VAL 237 Cb 0.14 -2.11 0.30 0.00 0.56 0.00 0.00 36.38 35.27 3hq4 s VAL 237 CO -0.03 0.58 1.83 0.00 -0.31 0.00 0.00 175.10 177.17 3hq4 h ALA 238 N 5.64 0.99 -2.62 1.32 0.00 -1.87 -2.89 119.26 119.84 3hq4 h ALA 238 Ca -0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hq4 h ALA 238 Cb 1.16 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3hq4 h ALA 238 CO 0.50 0.14 0.26 -0.08 0.00 0.00 0.00 179.25 180.08 3hq4 s THR 239 N -3.55 0.00 0.00 0.00 -1.32 -1.26 -4.56 115.64 104.95 3hq4 s THR 239 Ca 0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 3hq4 s THR 239 Cb 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3hq4 s THR 239 CO 0.61 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.63 3hq4 n GLY 240 N -0.03 2.28 3.21 6.08 0.00 -1.26 -4.79 105.19 110.68 3hq4 n GLY 240 Ca -0.16 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 0.14 -0.04 1.61 0.01 0.17 -3.39 113.70 112.21 3hq4 s SER 241 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3hq4 s SER 241 Cb 0.00 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.60 3hq4 s SER 241 CO 0.00 -0.74 -0.01 -0.22 0.41 0.00 0.00 173.24 172.68 3hq4 s LEU 242 N -2.89 1.17 -0.25 2.44 2.96 0.36 -0.34 118.68 122.14 3hq4 s LEU 242 Ca 0.08 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3hq4 s LEU 242 Cb 0.05 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 3hq4 s LEU 242 CO -0.09 -0.09 0.05 -0.89 -1.32 0.00 0.00 176.35 174.00 3hq4 s THR 243 N 1.05 4.04 -0.13 3.68 2.01 -0.10 -0.23 115.64 125.95 3hq4 s THR 243 Ca -0.09 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 3hq4 s THR 243 Cb -0.14 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3hq4 s THR 243 CO -0.01 0.32 -0.00 -1.61 -0.69 0.00 0.00 174.62 172.62 3hq4 s GLU 244 N 1.57 3.43 -0.07 4.92 2.02 -0.12 -0.96 118.70 129.49 3hq4 s GLU 244 Ca 0.06 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.63 3hq4 s GLU 244 Cb -0.15 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.17 3hq4 s GLU 244 CO 0.02 0.44 -0.15 -1.17 0.02 0.00 0.00 175.26 174.42 3hq4 s LEU 245 N -0.17 1.76 -0.19 1.80 2.96 -0.30 -1.00 118.68 123.55 3hq4 s LEU 245 Ca 0.05 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3hq4 s LEU 245 Cb -0.13 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3hq4 s LEU 245 CO 0.02 0.07 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.08 3hq4 s THR 246 N 0.53 2.49 0.09 3.68 2.01 0.15 -1.64 115.64 122.96 3hq4 s THR 246 Ca -0.14 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.11 3hq4 s THR 246 Cb -0.16 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3hq4 s THR 246 CO 0.05 0.51 -0.14 0.68 -0.69 0.00 0.00 174.62 175.02 3hq4 s VAL 247 N 1.25 1.21 -0.12 3.82 -7.23 -0.04 -0.46 120.40 118.84 3hq4 s VAL 247 Ca 0.03 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 3hq4 s VAL 247 Cb -0.14 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3hq4 s VAL 247 CO -0.08 -0.31 0.06 -0.69 -0.31 0.00 0.00 175.10 173.77 3hq4 s VAL 248 N -1.66 4.82 0.14 1.32 1.01 -0.02 -1.44 120.40 124.56 3hq4 s VAL 248 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3hq4 s VAL 248 Cb -0.08 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3hq4 s VAL 248 CO 0.02 0.58 -0.20 -0.76 0.00 0.00 0.00 175.10 174.75 3hq4 s LEU 249 N -0.65 2.38 0.10 3.92 1.43 -1.26 -1.43 118.68 123.17 3hq4 s LEU 249 Ca 0.11 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 3hq4 s LEU 249 Cb -0.12 -0.86 -0.16 0.00 0.03 0.00 0.00 46.19 45.08 3hq4 s LEU 249 CO 0.02 0.01 1.29 -0.33 0.23 0.00 0.00 176.35 177.57 3hq4 h GLU 250 N 3.59 0.74 -6.80 1.70 5.08 -0.59 -3.45 114.58 114.85 3hq4 h GLU 250 Ca -0.44 -0.65 -0.52 0.00 -1.00 0.00 0.00 59.36 56.74 3hq4 h GLU 250 Cb 1.20 0.15 0.05 0.00 0.50 0.00 0.00 28.75 30.65 3hq4 h GLU 250 CO 0.46 1.25 0.67 0.21 -1.00 0.00 0.00 179.01 180.61 3hq4 s LYS 251 N -3.62 4.35 0.28 2.33 2.20 -0.70 -5.01 119.74 119.57 3hq4 s LYS 251 Ca -0.10 2.19 0.07 0.00 -0.36 0.00 0.00 55.97 57.77 3hq4 s LYS 251 Cb 0.08 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 3hq4 s LYS 251 CO 0.91 -0.25 0.30 -0.65 -0.36 0.00 0.00 175.35 175.29 3hq4 s GLN 252 N -1.02 3.03 -1.63 4.03 -1.52 -1.26 -4.55 119.66 116.74 3hq4 s GLN 252 Ca 0.53 -1.03 -0.01 0.00 -1.95 0.00 0.00 55.36 52.91 3hq4 s GLN 252 Cb -0.39 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 3hq4 s GLN 252 CO 0.47 0.28 0.08 -0.25 -0.25 0.00 0.00 175.29 175.62 3hq4 n ASP 253 N -1.35 -5.62 -4.77 5.90 8.00 -1.26 -4.96 116.55 112.49 3hq4 n ASP 253 Ca -0.05 -0.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 3hq4 n ASP 253 Cb 0.58 -4.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.04 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 -2.99 2.69 0.30 2.53 1.01 -1.26 -5.05 120.40 117.63 3hq4 s VAL 254 Ca 0.04 0.68 0.11 0.00 0.00 0.00 0.00 61.98 62.80 3hq4 s VAL 254 Cb -0.02 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3hq4 s VAL 254 CO 0.05 0.15 -0.11 0.42 0.00 0.00 0.00 175.10 175.61 3hq4 s THR 255 N -0.98 2.58 0.18 3.92 -4.23 -1.26 -5.00 115.64 110.84 3hq4 s THR 255 Ca 0.50 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 58.65 3hq4 s THR 255 Cb -0.40 -2.54 0.10 0.00 1.34 0.00 0.00 72.50 71.00 3hq4 s THR 255 CO 0.52 -0.32 1.70 0.58 -0.54 0.00 0.00 174.62 176.56 3hq4 h VAL 256 N 2.08 0.68 -0.92 2.29 2.07 -1.94 -2.17 116.25 118.35 3hq4 h VAL 256 Ca -0.41 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3hq4 h VAL 256 Cb 1.25 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3hq4 h VAL 256 CO 0.64 0.03 0.56 -0.33 0.02 0.00 0.00 177.57 178.48 3hq4 h GLU 257 N 0.15 1.26 -0.46 1.57 3.07 -1.98 -0.17 114.58 118.01 3hq4 h GLU 257 Ca 0.22 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 3hq4 h GLU 257 Cb 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3hq4 h GLU 257 CO -0.35 0.88 -0.17 1.96 -1.40 0.00 0.00 179.01 179.93 3hq4 h GLN 258 N 1.27 0.93 -0.26 2.33 4.20 -1.87 -1.35 115.11 120.37 3hq4 h GLN 258 Ca 0.33 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3hq4 h GLN 258 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3hq4 h GLN 258 CO -0.06 1.04 0.00 0.28 -0.67 0.00 0.00 178.83 179.42 3hq4 h VAL 259 N 0.78 1.25 -0.59 -0.54 2.07 -0.89 -2.16 116.25 116.17 3hq4 h VAL 259 Ca 0.11 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3hq4 h VAL 259 Cb 0.73 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3hq4 h VAL 259 CO 0.06 0.28 0.25 0.78 0.02 0.00 0.00 177.57 178.97 3hq4 h ASN 260 N 0.23 0.80 -0.43 0.57 2.35 -0.95 -2.13 115.58 116.01 3hq4 h ASN 260 Ca 0.07 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3hq4 h ASN 260 Cb 0.41 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3hq4 h ASN 260 CO 0.01 0.73 0.14 -0.33 -1.65 0.00 0.00 177.43 176.33 3hq4 h GLU 261 N 0.81 0.67 -0.87 0.81 5.08 -1.24 -1.00 114.58 118.85 3hq4 h GLU 261 Ca 0.20 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3hq4 h GLU 261 Cb 0.17 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3hq4 h GLU 261 CO -0.02 0.65 0.57 0.00 -1.00 0.00 0.00 179.01 179.21 3hq4 h ALA 262 N 0.99 1.11 -0.24 3.43 0.00 -1.24 0.99 119.26 124.30 3hq4 h ALA 262 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hq4 h ALA 262 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hq4 h ALA 262 CO -0.01 0.49 -0.06 0.52 0.00 0.00 0.00 179.25 180.19 3hq4 h MET 263 N 1.16 0.46 -0.73 0.00 2.86 -1.06 -2.99 114.93 114.64 3hq4 h MET 263 Ca 0.32 -0.18 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 3hq4 h MET 263 Cb -0.11 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.44 3hq4 h MET 263 CO -0.08 0.70 0.34 -0.22 1.06 0.00 0.00 176.91 178.71 3hq4 h LYS 264 N 0.20 0.53 -0.02 1.72 3.64 -0.94 -2.09 116.57 119.61 3hq4 h LYS 264 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hq4 h LYS 264 Cb 0.53 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hq4 h LYS 264 CO 0.02 0.35 0.02 -0.91 -2.27 0.00 0.00 179.45 176.67 3hq4 h ASN 265 N 0.54 0.00 -0.43 4.20 -0.26 -0.74 -2.39 115.58 116.51 3hq4 h ASN 265 Ca 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 3hq4 h ASN 265 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3hq4 h ASN 265 CO -0.32 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.05 3hq4 n ALA 266 N -2.27 2.43 -1.76 -0.83 0.00 -0.80 -5.00 120.51 112.28 3hq4 n ALA 266 Ca -0.03 -0.98 -0.37 0.00 0.00 0.00 0.00 53.44 52.06 3hq4 n ALA 266 Cb 0.10 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.38 5.82 0.00 0.00 1.04 -0.90 -4.84 113.70 113.44 3hq4 s SER 267 Ca 0.39 2.46 0.00 0.00 0.48 0.00 0.00 55.95 59.29 3hq4 s SER 267 Cb 0.22 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3hq4 s SER 267 CO 0.31 -1.17 0.00 -0.46 0.98 0.00 0.00 173.24 172.90 3hq4 n ASN 268 N -0.72 0.00 0.16 7.02 0.23 -0.57 -4.95 115.26 116.43 3hq4 n ASN 268 Ca 0.09 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.27 3hq4 n ASN 268 Cb 0.47 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.61 3hq4 n ASN 268 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hq4 h GLU 269 N 0.00 0.00 0.01 -3.83 9.09 -1.99 -3.16 114.58 114.71 3hq4 h GLU 269 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 3hq4 h GLU 269 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 3hq4 h GLU 269 CO 0.00 0.00 -1.99 0.43 0.05 0.00 0.00 179.01 177.50 3hq4 n SER 270 N -2.53 0.82 -4.00 3.06 7.64 -1.26 -4.21 113.62 113.13 3hq4 n SER 270 Ca 0.03 0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 3hq4 n SER 270 Cb 0.36 0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.56 3.65 0.62 1.43 5.36 -1.19 -0.29 117.98 125.00 3hq4 s PHE 271 Ca -0.10 -2.99 -0.05 0.00 -0.96 0.00 0.00 56.93 52.83 3hq4 s PHE 271 Cb 0.07 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 3hq4 s PHE 271 CO 0.81 -0.93 0.92 0.20 -1.46 0.00 0.00 175.22 174.76 3hq4 s GLY 272 N 0.79 1.66 -0.02 13.12 0.00 0.37 -1.52 107.32 121.72 3hq4 s GLY 272 Ca 0.12 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.98 3hq4 s GLY 272 CO -0.08 -0.55 -0.07 -0.47 0.00 0.00 0.00 173.10 171.93 3hq4 s TYR 273 N -3.04 0.75 0.00 1.90 5.04 -1.26 -0.90 117.35 119.84 3hq4 s TYR 273 Ca 0.56 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 55.00 3hq4 s TYR 273 Cb -0.11 -0.55 -0.01 0.00 0.35 0.00 0.00 41.96 41.65 3hq4 s TYR 273 CO 0.44 -0.08 0.04 -0.08 -1.34 0.00 0.00 175.55 174.53 3hq4 s THR 274 N 0.22 0.07 -0.83 4.34 -1.32 -0.17 -4.92 115.64 113.03 3hq4 s THR 274 Ca -0.03 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.94 3hq4 s THR 274 Cb -0.08 -0.26 0.11 0.00 -1.51 0.00 0.00 72.50 70.77 3hq4 s THR 274 CO 0.00 -0.32 0.90 -0.62 -2.21 0.00 0.00 174.62 172.37 3hq4 n GLU 275 N 1.98 1.08 -2.92 7.08 1.02 -1.26 -1.45 120.64 126.17 3hq4 n GLU 275 Ca -0.20 -1.28 -0.35 0.00 -0.02 0.00 0.00 57.16 55.30 3hq4 n GLU 275 Cb 0.56 -1.16 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.76 7.07 -1.40 1.62 1.01 -1.26 -4.77 116.67 118.17 3hq4 s ASP 276 Ca 0.11 1.61 -0.14 0.00 0.71 0.00 0.00 52.55 54.84 3hq4 s ASP 276 Cb 0.07 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.57 3hq4 s ASP 276 CO 0.10 -0.15 2.09 -0.62 0.21 0.00 0.00 175.17 176.79 3hq4 n GLU 277 N 0.09 3.03 -2.31 8.23 1.02 -1.26 -4.90 120.64 124.54 3hq4 n GLU 277 Ca 0.03 -2.87 -0.25 0.00 -0.02 0.00 0.00 57.16 54.05 3hq4 n GLU 277 Cb 0.52 -3.26 0.07 0.00 -0.02 0.00 0.00 31.44 28.75 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 2.87 2.32 0.40 -3.67 -4.36 -1.26 -5.12 121.20 112.38 3hq4 s ILE 278 Ca 0.47 -0.36 0.04 0.00 -0.26 0.00 0.00 60.65 60.54 3hq4 s ILE 278 Cb 0.11 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 3hq4 s ILE 278 CO -0.05 0.00 0.16 0.68 0.24 0.00 0.00 174.94 175.97 3hq4 s VAL 279 N -3.18 0.45 0.24 8.37 -7.23 -1.26 -5.06 120.40 112.73 3hq4 s VAL 279 Ca 0.61 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 3hq4 s VAL 279 Cb -0.10 -2.35 0.13 0.00 0.56 0.00 0.00 36.38 34.62 3hq4 s VAL 279 CO 0.44 0.00 1.75 0.77 -0.31 0.00 0.00 175.10 177.75 3hq4 h SER 280 N 1.84 0.92 -0.59 4.85 4.64 -1.96 -2.02 113.55 121.23 3hq4 h SER 280 Ca -0.33 -0.20 0.17 0.00 -0.47 0.00 0.00 61.79 60.97 3hq4 h SER 280 Cb 1.27 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3hq4 h SER 280 CO 0.52 0.91 0.44 0.28 -0.87 0.00 0.00 176.83 178.11 3hq4 h SER 281 N 0.92 0.00 1.08 4.97 0.02 -1.95 -1.54 113.55 117.05 3hq4 h SER 281 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3hq4 h SER 281 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hq4 h SER 281 CO 0.01 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.17 3hq4 n ASP 282 N -4.25 0.72 -0.15 3.07 8.00 -0.76 -2.84 116.55 120.34 3hq4 n ASP 282 Ca 0.11 0.62 0.10 0.00 0.71 0.00 0.00 54.79 56.33 3hq4 n ASP 282 Cb 0.68 -0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 3hq4 n ASP 282 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hq4 n VAL 283 N -2.23 0.00 -1.68 2.53 0.24 -0.58 -4.87 118.33 111.74 3hq4 n VAL 283 Ca 0.04 -0.11 -0.48 0.00 -2.04 0.00 0.00 64.34 61.75 3hq4 n VAL 283 Cb 0.32 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.01 0.50 -0.26 3.34 0.31 -1.13 -1.07 118.33 119.01 3hq4 n VAL 284 Ca 0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3hq4 n VAL 284 Cb 0.35 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 4.27 1.20 3.76 2.92 0.00 -1.26 -5.05 105.19 111.03 3hq4 n GLY 285 Ca 0.22 0.00 -0.35 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 -0.46 3.01 0.00 1.61 0.00 -0.23 -4.93 119.30 118.30 3hq4 s MET 286 Ca 0.00 1.61 0.13 0.00 0.00 0.00 0.00 55.69 57.43 3hq4 s MET 286 Cb 0.00 -1.96 0.04 0.00 0.00 0.00 0.00 34.83 32.91 3hq4 s MET 286 CO 0.00 -1.12 0.82 0.25 0.00 0.00 0.00 175.02 174.97 3hq4 n THR 287 N -1.80 0.00 -1.89 3.16 -2.24 -1.26 -3.18 114.28 107.07 3hq4 n THR 287 Ca 0.12 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 3hq4 n THR 287 Cb 0.51 1.21 -0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.43 2.69 -0.03 4.78 4.12 -1.26 -4.66 117.35 121.57 3hq4 s TYR 288 Ca 0.13 1.26 0.22 0.00 0.02 0.00 0.00 57.07 58.70 3hq4 s TYR 288 Cb 0.11 -3.90 0.62 0.00 -1.52 0.00 0.00 41.96 37.27 3hq4 s TYR 288 CO 0.26 -2.65 1.69 0.78 0.02 0.00 0.00 175.55 175.66 3hq4 h GLY 289 N 2.93 0.00 -5.53 0.71 0.00 -0.82 -3.39 103.07 96.96 3hq4 h GLY 289 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3hq4 h GLY 289 CO 0.64 0.00 -0.26 -0.45 0.00 0.00 0.00 176.54 176.47 3hq4 s SER 290 N -6.25 -0.54 -0.32 0.19 0.15 -0.48 -3.58 113.70 102.87 3hq4 s SER 290 Ca 0.02 0.94 0.02 0.00 0.70 0.00 0.00 55.95 57.63 3hq4 s SER 290 Cb 0.09 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 65.32 3hq4 s SER 290 CO 0.67 -0.19 0.02 -0.22 1.20 0.00 0.00 173.24 174.72 3hq4 s LEU 291 N 1.24 4.38 0.17 3.45 2.96 0.12 -0.48 118.68 130.51 3hq4 s LEU 291 Ca -0.08 -1.84 -0.30 0.00 -0.22 0.00 0.00 54.13 51.69 3hq4 s LEU 291 Cb -0.07 -1.64 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 3hq4 s LEU 291 CO -0.11 -0.34 1.29 0.12 -1.32 0.00 0.00 176.35 176.00 3hq4 s PHE 292 N 1.03 3.30 -0.45 5.38 5.36 -0.08 -1.17 117.98 131.35 3hq4 s PHE 292 Ca 0.03 1.21 -0.06 0.00 -0.96 0.00 0.00 56.93 57.16 3hq4 s PHE 292 Cb -0.20 -3.57 0.12 0.00 -0.34 0.00 0.00 43.02 39.03 3hq4 s PHE 292 CO -0.06 -1.80 0.28 0.34 -1.46 0.00 0.00 175.22 172.52 3hq4 s ASP 293 N 0.50 5.47 0.64 6.13 -1.08 -0.93 -0.99 116.67 126.41 3hq4 s ASP 293 Ca 0.58 -2.02 0.41 0.00 -0.52 0.00 0.00 52.55 50.99 3hq4 s ASP 293 Cb -0.35 -1.92 2.23 0.00 -1.46 0.00 0.00 42.92 41.42 3hq4 s ASP 293 CO 0.36 -0.61 2.32 0.00 0.52 0.00 0.00 175.17 177.76 3hq4 h ALA 294 N 8.18 1.11 0.00 3.66 0.00 -1.55 -1.54 119.26 129.13 3hq4 h ALA 294 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hq4 h ALA 294 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hq4 h ALA 294 CO 0.77 0.01 0.00 1.79 0.00 0.00 0.00 179.25 181.82 3hq4 h THR 295 N 0.00 0.00 -0.49 0.00 1.35 -1.86 -3.01 112.91 108.89 3hq4 h THR 295 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3hq4 h THR 295 Cb 0.04 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3hq4 h THR 295 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3hq4 n GLN 296 N -2.84 2.56 -2.64 4.72 6.02 -0.58 -4.95 117.38 119.68 3hq4 n GLN 296 Ca 0.01 -2.39 -0.42 0.00 -0.01 0.00 0.00 57.00 54.19 3hq4 n GLN 296 Cb 0.30 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.32 4.57 0.02 5.09 2.01 -1.14 -4.56 115.64 120.32 3hq4 s THR 297 Ca 0.41 1.90 0.01 0.00 0.31 0.00 0.00 61.69 64.33 3hq4 s THR 297 Cb 0.23 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 3hq4 s THR 297 CO 0.32 0.18 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.24 3hq4 s ARG 298 N 0.79 0.40 -0.13 4.92 1.81 -0.59 -4.99 118.95 121.15 3hq4 s ARG 298 Ca 0.53 -0.47 -0.00 0.00 -1.72 0.00 0.00 55.73 54.07 3hq4 s ARG 298 Cb -0.24 -0.24 0.03 0.00 -0.45 0.00 0.00 34.95 34.05 3hq4 s ARG 298 CO 0.29 0.05 -0.10 0.08 -0.68 0.00 0.00 175.30 174.94 3hq4 s VAL 299 N -0.83 1.29 -0.23 3.52 1.01 -1.26 -0.42 120.40 123.47 3hq4 s VAL 299 Ca -0.06 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3hq4 s VAL 299 Cb -0.06 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3hq4 s VAL 299 CO -0.00 0.39 0.40 -0.32 0.00 0.00 0.00 175.10 175.56 3hq4 s MET 300 N 1.60 4.11 -0.08 2.72 1.75 0.10 -4.99 119.30 124.51 3hq4 s MET 300 Ca 0.05 0.15 0.05 0.00 -1.25 0.00 0.00 55.69 54.68 3hq4 s MET 300 Cb -0.13 -3.59 -0.00 0.00 2.84 0.00 0.00 34.83 33.95 3hq4 s MET 300 CO -0.09 -0.15 -0.23 -1.12 -0.65 0.00 0.00 175.02 172.78 3hq4 s SER 301 N 1.29 2.92 -0.26 1.11 0.01 -1.26 -1.14 113.70 116.38 3hq4 s SER 301 Ca 0.18 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 3hq4 s SER 301 Cb -0.15 -1.14 0.09 0.00 0.21 0.00 0.00 66.02 65.02 3hq4 s SER 301 CO 0.09 0.17 0.09 -0.69 0.41 0.00 0.00 173.24 173.31 3hq4 s VAL 302 N 0.20 0.37 0.00 3.43 1.01 -0.29 -5.00 120.40 120.12 3hq4 s VAL 302 Ca -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3hq4 s VAL 302 Cb -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3hq4 s VAL 302 CO 0.07 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.24 3hq4 n GLY 303 N 5.08 3.62 0.85 4.51 0.00 -1.26 -1.72 105.19 116.27 3hq4 n GLY 303 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 5.13 2.43 -4.18 1.61 10.43 -1.26 -4.84 116.55 125.86 3hq4 n ASP 304 Ca 0.00 -2.13 -0.34 0.00 2.57 0.00 0.00 54.79 54.90 3hq4 n ASP 304 Cb 0.00 -0.35 -0.15 0.00 1.84 0.00 0.00 41.12 42.46 3hq4 n ASP 304 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3hq4 s ARG 305 N -1.60 3.11 0.10 -1.24 0.52 -0.70 -4.91 118.95 114.23 3hq4 s ARG 305 Ca 0.26 -0.77 0.10 0.00 -0.52 0.00 0.00 55.73 54.80 3hq4 s ARG 305 Cb 0.16 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3hq4 s ARG 305 CO 0.15 -0.18 -0.25 -0.65 0.02 0.00 0.00 175.30 174.39 3hq4 s GLN 306 N 1.29 1.61 -0.01 3.54 -0.21 -1.26 -1.14 119.66 123.49 3hq4 s GLN 306 Ca 0.04 -1.23 0.08 0.00 0.02 0.00 0.00 55.36 54.26 3hq4 s GLN 306 Cb -0.14 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 3hq4 s GLN 306 CO -0.09 0.48 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.80 3hq4 s LEU 307 N -1.80 2.18 -0.04 2.90 1.02 -0.29 -4.71 118.68 117.95 3hq4 s LEU 307 Ca 0.14 -0.46 0.06 0.00 0.02 0.00 0.00 54.13 53.89 3hq4 s LEU 307 Cb -0.10 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.74 3hq4 s LEU 307 CO 0.05 0.31 -0.22 -0.69 0.02 0.00 0.00 176.35 175.82 3hq4 s VAL 308 N -0.68 1.78 -0.03 -1.59 1.01 -0.52 -0.72 120.40 119.64 3hq4 s VAL 308 Ca 0.11 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3hq4 s VAL 308 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3hq4 s VAL 308 CO 0.00 0.50 -0.11 -0.75 0.00 0.00 0.00 175.10 174.74 3hq4 s LYS 309 N -0.25 1.20 0.24 2.72 2.20 0.44 -0.86 119.74 125.43 3hq4 s LYS 309 Ca 0.01 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 3hq4 s LYS 309 Cb -0.11 -1.09 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 3hq4 s LYS 309 CO 0.02 0.15 0.04 0.14 -0.36 0.00 0.00 175.35 175.34 3hq4 s VAL 310 N 0.14 0.81 -0.12 4.02 -7.23 -0.65 -1.55 120.40 115.81 3hq4 s VAL 310 Ca -0.03 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 3hq4 s VAL 310 Cb -0.09 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.44 3hq4 s VAL 310 CO 0.01 -0.21 0.32 0.00 -0.31 0.00 0.00 175.10 174.90 3hq4 s ALA 311 N -3.58 -0.78 -0.06 1.32 0.00 -1.26 -1.15 121.76 116.26 3hq4 s ALA 311 Ca 0.31 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3hq4 s ALA 311 Cb 0.07 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3hq4 s ALA 311 CO 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 175.76 175.54 3hq4 s ALA 312 N 0.57 1.43 0.41 0.00 0.00 -0.13 -2.19 121.76 121.84 3hq4 s ALA 312 Ca -0.03 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 3hq4 s ALA 312 Cb -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 3hq4 s ALA 312 CO -0.03 0.17 0.88 -1.58 0.00 0.00 0.00 175.76 175.20 3hq4 s TRP 313 N 0.47 3.35 -0.13 0.00 0.52 -0.32 -0.92 118.94 121.91 3hq4 s TRP 313 Ca -0.13 1.45 -0.12 0.00 0.02 0.00 0.00 56.10 57.32 3hq4 s TRP 313 Cb -0.15 -2.73 0.03 0.00 -1.15 0.00 0.00 33.47 29.47 3hq4 s TRP 313 CO 0.04 -0.08 0.35 1.52 0.02 0.00 0.00 176.95 178.80 3hq4 s TYR 314 N -2.19 -0.39 -0.67 -1.98 1.13 0.54 0.14 117.35 113.93 3hq4 s TYR 314 Ca 0.59 0.95 -0.27 0.00 -1.41 0.00 0.00 57.07 56.93 3hq4 s TYR 314 Cb -0.10 0.13 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 3hq4 s TYR 314 CO 0.17 -0.19 1.48 0.34 -2.51 0.00 0.00 175.55 174.84 3hq4 s ASP 315 N 0.21 5.89 0.61 -0.18 -1.08 -1.26 0.43 116.67 121.28 3hq4 s ASP 315 Ca -0.00 -0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.22 3hq4 s ASP 315 Cb -0.03 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.35 3hq4 s ASP 315 CO 0.00 -1.98 1.87 -0.55 0.52 0.00 0.00 175.17 175.03 3hq4 h ASN 316 N 11.68 0.00 0.00 -0.34 7.08 -1.90 0.26 115.58 132.36 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 1.09 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.33 3hq4 h ASN 316 CO 1.24 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 175.97 3hq4 n GLU 317 N -3.48 0.00 0.13 4.14 1.02 -1.26 -4.22 120.64 116.97 3hq4 n GLU 317 Ca 0.06 0.19 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 3hq4 n GLU 317 Cb 0.63 -0.67 0.13 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.00 -0.49 3.49 4.05 -1.77 -1.54 114.93 118.66 3hq4 h MET 318 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hq4 h MET 318 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3hq4 h MET 318 CO 0.00 0.65 0.27 0.77 0.23 0.00 0.00 176.91 178.84 3hq4 h SER 319 N 0.00 0.61 0.25 1.39 0.02 -0.44 -1.54 113.55 113.84 3hq4 h SER 319 Ca -0.01 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 3hq4 h SER 319 Cb 1.23 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3hq4 h SER 319 CO 0.08 0.52 -0.65 0.22 -1.14 0.00 0.00 176.83 175.86 3hq4 h TYR 320 N 0.65 0.50 -0.40 3.45 3.20 -1.57 -2.62 116.97 120.18 3hq4 h TYR 320 Ca 0.17 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3hq4 h TYR 320 Cb 0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3hq4 h TYR 320 CO -0.02 0.93 -0.26 1.15 -1.64 0.00 0.00 178.16 178.31 3hq4 h THR 321 N 0.28 1.28 -0.39 1.81 2.02 -1.13 0.68 112.91 117.45 3hq4 h THR 321 Ca -0.02 -1.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 3hq4 h THR 321 Cb 1.20 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3hq4 h THR 321 CO 0.11 0.48 -0.13 0.00 0.37 0.00 0.00 175.52 176.35 3hq4 h ALA 322 N 0.80 1.04 -0.16 6.16 0.00 -1.25 -1.10 119.26 124.75 3hq4 h ALA 322 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3hq4 h ALA 322 Cb 0.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hq4 h ALA 322 CO 0.07 0.58 0.01 1.96 0.00 0.00 0.00 179.25 181.87 3hq4 h GLN 323 N 0.63 0.27 -0.63 0.00 1.08 -1.31 -2.12 115.11 113.03 3hq4 h GLN 323 Ca 0.11 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 57.32 3hq4 h GLN 323 Cb 0.59 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.91 3hq4 h GLN 323 CO 0.04 0.48 0.24 1.25 -0.95 0.00 0.00 178.83 179.88 3hq4 h LEU 324 N 0.03 0.24 -0.51 1.46 5.85 -0.68 -0.62 115.31 121.08 3hq4 h LEU 324 Ca 0.05 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3hq4 h LEU 324 Cb 0.35 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hq4 h LEU 324 CO 0.01 0.13 -0.33 0.58 -0.34 0.00 0.00 178.44 178.49 3hq4 h VAL 325 N 0.42 1.28 -0.76 1.05 2.07 -1.15 0.14 116.25 119.30 3hq4 h VAL 325 Ca 0.32 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3hq4 h VAL 325 Cb 0.41 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3hq4 h VAL 325 CO -0.32 0.50 0.44 0.03 0.02 0.00 0.00 177.57 178.24 3hq4 h ARG 326 N 0.72 0.78 -0.30 1.57 3.08 -1.05 -0.93 114.38 118.24 3hq4 h ARG 326 Ca 0.07 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3hq4 h ARG 326 Cb 0.89 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3hq4 h ARG 326 CO 0.08 0.51 -0.15 1.15 -1.07 0.00 0.00 179.97 180.49 3hq4 h THR 327 N 0.80 1.29 -0.18 2.04 2.02 -0.67 -2.12 112.91 116.09 3hq4 h THR 327 Ca 0.34 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3hq4 h THR 327 Cb 0.21 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3hq4 h THR 327 CO -0.19 0.40 -0.46 0.25 0.37 0.00 0.00 175.52 175.90 3hq4 h LEU 328 N 0.40 -1.46 -0.56 2.58 5.85 -0.62 0.61 115.31 122.12 3hq4 h LEU 328 Ca 0.07 0.19 0.05 0.00 0.84 0.00 0.00 57.88 59.03 3hq4 h LEU 328 Cb 0.68 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 3hq4 h LEU 328 CO 0.05 -0.43 0.29 0.00 -0.34 0.00 0.00 178.44 178.00 3hq4 h ALA 329 N 0.05 0.72 0.35 1.25 0.00 -1.08 0.10 119.26 120.65 3hq4 h ALA 329 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hq4 h ALA 329 Cb 0.64 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hq4 h ALA 329 CO -0.44 -0.06 -0.20 -0.92 0.00 0.00 0.00 179.25 177.64 3hq4 h TYR 330 N 0.55 -0.52 -0.98 0.00 3.20 -1.18 -0.26 116.97 117.79 3hq4 h TYR 330 Ca 0.25 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 3hq4 h TYR 330 Cb 0.16 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 3hq4 h TYR 330 CO -0.10 -0.31 0.63 1.25 -1.64 0.00 0.00 178.16 177.99 3hq4 h LEU 331 N -0.51 1.03 -0.48 2.82 5.85 -0.58 -2.20 115.31 121.23 3hq4 h LEU 331 Ca -0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3hq4 h LEU 331 Cb 0.42 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hq4 h LEU 331 CO 0.05 0.67 0.03 0.00 -0.34 0.00 0.00 178.44 178.85 3hq4 h ALA 332 N 1.43 0.65 -0.55 1.25 0.00 -0.65 -3.14 119.26 118.24 3hq4 h ALA 332 Ca 0.41 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3hq4 h ALA 332 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hq4 h ALA 332 CO -0.16 0.43 0.43 1.49 0.00 0.00 0.00 179.25 181.44 3hq4 h GLU 333 N 0.70 0.00 -0.01 0.00 4.57 -0.38 -3.51 114.58 115.93 3hq4 h GLU 333 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3hq4 h GLU 333 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3hq4 h GLU 333 CO 0.02 0.00 0.00 1.47 -1.18 0.00 0.00 179.01 179.32