#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 s ALA 3 N 0.00 3.53 0.18 0.00 0.00 -1.26 -4.98 121.76 119.23 1sx4 s ALA 3 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1sx4 s ALA 3 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1sx4 s ALA 3 CO 0.00 -1.00 0.10 0.15 0.00 0.00 0.00 175.76 175.01 1sx4 s LYS 4 N -2.08 2.74 -0.36 0.00 -0.14 -1.26 -3.05 119.74 115.59 1sx4 s LYS 4 Ca 0.53 -0.97 -0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1sx4 s LYS 4 Cb -0.45 -2.54 0.08 0.00 -1.68 0.00 0.00 37.83 33.23 1sx4 s LYS 4 CO 0.61 0.47 0.12 0.34 -0.76 0.00 0.00 175.35 176.12 1sx4 s ASP 5 N -3.13 5.16 -0.07 2.83 -1.08 0.06 -4.78 116.67 115.66 1sx4 s ASP 5 Ca 0.30 -1.60 -0.10 0.00 -0.52 0.00 0.00 52.55 50.63 1sx4 s ASP 5 Cb -0.10 -1.80 -0.05 0.00 -1.46 0.00 0.00 42.92 39.51 1sx4 s ASP 5 CO 0.22 -0.41 0.25 0.68 0.52 0.00 0.00 175.17 176.43 1sx4 s VAL 6 N 1.24 5.31 0.06 1.11 -7.23 -1.26 -2.94 120.40 116.68 1sx4 s VAL 6 Ca 0.02 0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.71 1sx4 s VAL 6 Cb -0.21 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 1sx4 s VAL 6 CO -0.02 0.59 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.67 1sx4 s LYS 7 N -0.98 0.95 0.32 4.82 1.02 0.44 -4.97 119.74 121.33 1sx4 s LYS 7 Ca 0.18 -0.90 0.10 0.00 0.02 0.00 0.00 55.97 55.38 1sx4 s LYS 7 Cb -0.14 -1.00 -0.06 0.00 -0.52 0.00 0.00 37.83 36.11 1sx4 s LYS 7 CO 0.08 0.24 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.55 1sx4 s PHE 8 N -1.04 2.37 0.00 3.18 0.40 -1.26 -0.69 117.98 120.93 1sx4 s PHE 8 Ca 0.01 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1sx4 s PHE 8 Cb -0.09 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1sx4 s PHE 8 CO 0.02 0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.98 1sx4 n GLY 9 N -0.73 1.44 0.10 4.36 0.00 0.56 -1.79 105.19 109.12 1sx4 n GLY 9 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1sx4 n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1sx4 h ASN 10 N 0.00 -0.15 -0.10 1.61 -1.24 -1.94 0.98 115.58 114.75 1sx4 h ASN 10 Ca 0.00 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.04 1sx4 h ASN 10 Cb 0.00 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1sx4 h ASN 10 CO 0.00 -0.09 -0.06 -0.67 -1.29 0.00 0.00 177.43 175.33 1sx4 n ASP 11 N -5.16 -0.10 -0.36 1.15 2.03 -1.24 0.47 116.55 113.33 1sx4 n ASP 11 Ca -0.07 0.53 -0.03 0.00 0.52 0.00 0.00 54.79 55.75 1sx4 n ASP 11 Cb 0.09 -0.20 0.10 0.00 -0.72 0.00 0.00 41.12 40.39 1sx4 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sx4 h ALA 12 N -0.31 1.24 0.07 -1.67 0.00 -0.24 -2.97 119.26 115.37 1sx4 h ALA 12 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 12 Cb 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1sx4 h ALA 12 CO -0.09 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 1sx4 h ARG 13 N 1.33 -0.09 -0.48 0.00 3.08 0.62 -0.81 114.38 118.02 1sx4 h ARG 13 Ca 0.35 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.51 1sx4 h ARG 13 Cb -0.11 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.87 1sx4 h ARG 13 CO -0.07 0.01 -0.10 0.28 -1.07 0.00 0.00 179.97 179.01 1sx4 h VAL 14 N -0.17 0.54 0.35 2.04 2.07 0.06 0.23 116.25 121.36 1sx4 h VAL 14 Ca -0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1sx4 h VAL 14 Cb 0.14 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1sx4 h VAL 14 CO 0.02 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 177.48 1sx4 h LYS 15 N 0.02 -0.56 -1.06 1.57 1.79 -1.34 -1.86 116.57 115.13 1sx4 h LYS 15 Ca 0.23 0.04 0.28 0.00 -2.18 0.00 0.00 60.65 59.02 1sx4 h LYS 15 Cb 0.35 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.03 1sx4 h LYS 15 CO -0.48 -0.37 0.68 1.98 -1.08 0.00 0.00 179.45 180.18 1sx4 h MET 16 N -0.58 0.36 -0.10 3.15 4.05 0.41 -1.63 114.93 120.59 1sx4 h MET 16 Ca -0.03 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.22 1sx4 h MET 16 Cb 0.49 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1sx4 h MET 16 CO 0.02 0.24 -0.52 1.25 0.23 0.00 0.00 176.91 178.12 1sx4 h LEU 17 N 0.37 0.64 -0.85 3.39 5.85 -0.02 -1.74 115.31 122.95 1sx4 h LEU 17 Ca 0.62 -0.65 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1sx4 h LEU 17 Cb 1.60 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 1sx4 h LEU 17 CO -0.32 1.18 0.40 0.03 -0.34 0.00 0.00 178.44 179.39 1sx4 h ARG 18 N 0.14 0.51 0.27 1.25 3.08 -0.53 0.48 114.38 119.58 1sx4 h ARG 18 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1sx4 h ARG 18 Cb 1.17 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1sx4 h ARG 18 CO 0.11 0.34 -0.26 0.78 -1.07 0.00 0.00 179.97 179.86 1sx4 h GLY 19 N 0.53 -0.99 -0.83 0.04 0.00 -1.24 0.42 103.07 101.01 1sx4 h GLY 19 Ca 0.48 0.45 0.17 0.00 0.00 0.00 0.00 47.33 48.43 1sx4 h GLY 19 CO -0.42 -0.32 -0.28 -2.08 0.00 0.00 0.00 176.54 173.44 1sx4 h VAL 20 N -0.53 0.07 -0.07 4.60 2.07 -0.83 -2.38 116.25 119.18 1sx4 h VAL 20 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1sx4 h VAL 20 Cb 0.46 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1sx4 h VAL 20 CO -0.03 0.00 -0.23 0.78 0.02 0.00 0.00 177.57 178.11 1sx4 h ASN 21 N -0.02 -0.71 -0.33 0.57 -0.26 0.46 0.54 115.58 115.83 1sx4 h ASN 21 Ca 0.39 0.11 0.06 0.00 -0.56 0.00 0.00 56.30 56.30 1sx4 h ASN 21 Cb 0.64 0.30 -0.06 0.00 -1.06 0.00 0.00 38.32 38.14 1sx4 h ASN 21 CO -0.93 -0.29 -0.05 0.58 -1.06 0.00 0.00 177.43 175.68 1sx4 h VAL 22 N -0.33 0.70 0.75 2.81 2.07 -0.41 0.35 116.25 122.20 1sx4 h VAL 22 Ca 0.08 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1sx4 h VAL 22 Cb 0.45 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1sx4 h VAL 22 CO -0.26 0.01 -0.36 0.25 0.02 0.00 0.00 177.57 177.22 1sx4 h LEU 23 N 0.04 -0.86 -0.51 2.57 7.12 -1.20 -2.25 115.31 120.22 1sx4 h LEU 23 Ca 0.16 0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.30 1sx4 h LEU 23 Cb 0.24 0.22 -0.10 0.00 -0.53 0.00 0.00 40.66 40.49 1sx4 h LEU 23 CO -0.32 -0.59 -0.14 0.00 -0.13 0.00 0.00 178.44 177.27 1sx4 h ALA 24 N -0.82 0.33 -0.96 1.25 0.00 0.71 0.64 119.26 120.41 1sx4 h ALA 24 Ca -0.10 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 24 Cb 0.78 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1sx4 h ALA 24 CO 0.17 -0.45 0.64 -0.44 0.00 0.00 0.00 179.25 179.17 1sx4 h ASP 25 N -0.01 1.09 0.19 0.00 3.32 -0.27 0.12 116.42 120.87 1sx4 h ASP 25 Ca 0.25 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1sx4 h ASP 25 Cb 0.38 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1sx4 h ASP 25 CO -0.53 0.78 -0.20 0.00 -1.72 0.00 0.00 179.24 177.57 1sx4 h ALA 26 N 1.41 1.66 0.16 3.45 0.00 -0.58 -3.19 119.26 122.17 1sx4 h ALA 26 Ca 0.36 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 26 Cb -0.12 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1sx4 h ALA 26 CO -0.09 0.25 -1.21 0.28 0.00 0.00 0.00 179.25 178.49 1sx4 h VAL 27 N 0.01 1.33 -0.75 0.00 2.07 0.89 -3.35 116.25 116.45 1sx4 h VAL 27 Ca 0.00 -2.52 0.15 0.00 0.82 0.00 0.00 66.70 65.15 1sx4 h VAL 27 Cb 0.35 2.89 -0.10 0.00 -1.52 0.00 0.00 31.29 32.91 1sx4 h VAL 27 CO 0.03 0.75 0.27 0.11 0.02 0.00 0.00 177.57 178.75 1sx4 h LYS 28 N 0.10 0.38 0.00 1.57 1.57 -1.08 -2.82 116.57 116.30 1sx4 h LYS 28 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 28 Cb 1.92 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1sx4 h LYS 28 CO 0.23 0.25 0.20 -0.39 -0.57 0.00 0.00 179.45 179.17 1sx4 h VAL 29 N 0.39 0.00 -0.42 0.50 -1.51 -1.69 0.44 116.25 113.96 1sx4 h VAL 29 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 1sx4 h VAL 29 Cb 0.66 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1sx4 h VAL 29 CO -0.43 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.26 1sx4 n THR 30 N -2.78 1.18 -3.21 7.19 -2.24 -1.06 -1.71 114.28 111.65 1sx4 n THR 30 Ca -0.02 -0.76 -0.39 0.00 -2.27 0.00 0.00 64.05 60.61 1sx4 n THR 30 Cb 0.25 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1sx4 n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sx4 s LEU 31 N -1.37 4.45 0.00 3.22 2.96 0.16 -4.55 118.68 123.55 1sx4 s LEU 31 Ca 0.33 1.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1sx4 s LEU 31 Cb 0.21 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1sx4 s LEU 31 CO 0.16 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 1sx4 n GLY 32 N 2.25 -1.50 0.27 7.98 0.00 -1.26 -3.43 105.19 109.50 1sx4 n GLY 32 Ca -0.08 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 1sx4 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sx4 h PRO 33 N 0.00 0.67 -1.00 1.61 0.13 -1.91 0.23 132.00 131.73 1sx4 h PRO 33 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1sx4 h PRO 33 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 1sx4 h PRO 33 CO 0.00 0.73 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 1sx4 n LYS 34 N -4.20 0.99 -1.15 0.86 5.02 -1.26 -4.92 118.16 113.49 1sx4 n LYS 34 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1sx4 n LYS 34 Cb 0.32 -1.29 0.12 0.00 -0.02 0.00 0.00 35.03 34.16 1sx4 n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sx4 s GLY 35 N 0.41 2.14 0.43 0.72 0.00 0.82 -4.64 107.32 107.20 1sx4 s GLY 35 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 44.72 45.59 1sx4 s GLY 35 CO 0.00 1.23 0.01 0.50 0.00 0.00 0.00 173.10 174.84 1sx4 s ARG 36 N -4.16 1.99 0.24 2.90 0.52 -0.69 -4.95 118.95 114.81 1sx4 s ARG 36 Ca 0.72 -2.16 0.06 0.00 -0.52 0.00 0.00 55.73 53.83 1sx4 s ARG 36 Cb -0.28 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1sx4 s ARG 36 CO 0.50 -0.13 0.28 -0.80 0.02 0.00 0.00 175.30 175.18 1sx4 s ASN 37 N -3.73 5.95 0.15 0.23 0.01 -1.26 -3.86 114.94 112.43 1sx4 s ASN 37 Ca 0.29 -0.08 0.11 0.00 -0.71 0.00 0.00 52.86 52.47 1sx4 s ASN 37 Cb 0.08 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.05 1sx4 s ASN 37 CO 0.15 -0.05 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.74 1sx4 s VAL 38 N -2.05 2.20 -0.18 1.60 1.01 -0.06 -4.95 120.40 117.97 1sx4 s VAL 38 Ca 0.33 -1.82 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1sx4 s VAL 38 Cb -0.08 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1sx4 s VAL 38 CO 0.27 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1sx4 s VAL 39 N -1.29 2.54 -0.16 2.92 1.01 -1.26 -1.47 120.40 122.69 1sx4 s VAL 39 Ca 0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1sx4 s VAL 39 Cb -0.09 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1sx4 s VAL 39 CO 0.07 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 174.87 1sx4 s LEU 40 N 1.15 3.14 0.98 3.92 1.43 -0.55 -4.96 118.68 123.79 1sx4 s LEU 40 Ca 0.01 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1sx4 s LEU 40 Cb -0.14 -1.76 0.18 0.00 0.03 0.00 0.00 46.19 44.50 1sx4 s LEU 40 CO -0.06 0.14 1.13 -0.62 0.23 0.00 0.00 176.35 177.18 1sx4 s ASP 41 N 0.52 2.89 -0.29 2.29 -1.08 -1.26 -1.54 116.67 118.20 1sx4 s ASP 41 Ca -0.04 0.92 -0.05 0.00 -0.52 0.00 0.00 52.55 52.87 1sx4 s ASP 41 Cb -0.15 -1.45 0.16 0.00 -1.46 0.00 0.00 42.92 40.03 1sx4 s ASP 41 CO 0.03 -2.93 0.58 -0.54 0.52 0.00 0.00 175.17 172.83 1sx4 s LYS 42 N -5.25 0.54 0.32 4.34 1.02 -1.26 -4.81 119.74 114.63 1sx4 s LYS 42 Ca 0.66 1.12 0.04 0.00 0.02 0.00 0.00 55.97 57.81 1sx4 s LYS 42 Cb -0.14 0.56 0.65 0.00 -0.52 0.00 0.00 37.83 38.37 1sx4 s LYS 42 CO 0.55 -0.46 1.87 0.66 -0.92 0.00 0.00 175.35 177.06 1sx4 h SER 43 N 8.03 0.82 0.00 2.83 4.64 -1.99 -3.24 113.55 124.64 1sx4 h SER 43 Ca -0.21 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1sx4 h SER 43 Cb 1.14 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1sx4 h SER 43 CO 0.20 0.46 0.00 0.49 -0.87 0.00 0.00 176.83 177.11 1sx4 n PHE 44 N -4.56 0.00 0.00 4.77 3.72 -1.26 -5.00 117.46 115.13 1sx4 n PHE 44 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1sx4 n PHE 44 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1sx4 n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sx4 n GLY 45 N 0.00 5.35 3.59 1.37 0.00 -1.22 -5.13 105.19 109.15 1sx4 n GLY 45 Ca 0.00 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 n ALA 46 N -3.00 -0.04 -0.53 4.61 0.00 -1.26 -4.58 120.51 115.71 1sx4 n ALA 46 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1sx4 n ALA 46 Cb 0.00 -2.05 0.27 0.00 0.00 0.00 0.00 19.45 17.67 1sx4 n ALA 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sx4 s PRO 47 N -2.22 -2.14 -0.09 0.00 0.02 -1.26 -4.72 135.00 124.59 1sx4 s PRO 47 Ca 0.67 0.29 0.03 0.00 0.02 0.00 0.00 61.00 62.02 1sx4 s PRO 47 Cb -0.50 -1.46 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1sx4 s PRO 47 CO 0.54 -4.40 -0.20 0.99 -0.33 0.00 0.00 177.00 173.61 1sx4 s THR 48 N -2.43 1.72 -0.26 0.99 2.01 -0.59 -4.97 115.64 112.10 1sx4 s THR 48 Ca 0.69 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 1sx4 s THR 48 Cb -0.16 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1sx4 s THR 48 CO 0.59 0.48 0.14 -0.63 -0.69 0.00 0.00 174.62 174.51 1sx4 s ILE 49 N 0.49 4.89 0.04 1.82 1.01 -1.26 -1.48 121.20 126.70 1sx4 s ILE 49 Ca -0.17 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1sx4 s ILE 49 Cb -0.17 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1sx4 s ILE 49 CO 0.07 0.30 0.03 0.28 0.00 0.00 0.00 174.94 175.62 1sx4 s THR 50 N 1.61 0.15 -1.00 2.92 -1.32 -0.54 -4.54 115.64 112.91 1sx4 s THR 50 Ca 0.07 -1.21 0.11 0.00 -1.21 0.00 0.00 61.69 59.45 1sx4 s THR 50 Cb -0.15 -0.86 0.29 0.00 -1.51 0.00 0.00 72.50 70.26 1sx4 s THR 50 CO 0.07 -0.67 1.21 1.17 -2.21 0.00 0.00 174.62 174.20 1sx4 n LYS 51 N 0.85 2.60 -3.61 7.08 4.81 -1.26 -0.88 118.16 127.75 1sx4 n LYS 51 Ca -0.19 -1.96 -0.40 0.00 -0.87 0.00 0.00 58.31 54.89 1sx4 n LYS 51 Cb 0.58 -1.27 -0.11 0.00 0.02 0.00 0.00 35.03 34.25 1sx4 n LYS 51 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sx4 s ASP 52 N -0.99 5.70 0.26 3.14 2.15 -1.26 -4.89 116.67 120.78 1sx4 s ASP 52 Ca 0.22 -1.06 -0.05 0.00 0.43 0.00 0.00 52.55 52.09 1sx4 s ASP 52 Cb 0.12 -2.01 0.50 0.00 -0.30 0.00 0.00 42.92 41.23 1sx4 s ASP 52 CO 0.16 -0.40 1.64 1.23 -0.17 0.00 0.00 175.17 177.63 1sx4 h GLY 53 N 8.42 0.98 2.00 2.66 0.00 -1.92 0.07 103.07 115.28 1sx4 h GLY 53 Ca -0.25 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1sx4 h GLY 53 CO 0.67 -0.30 -0.29 -0.24 0.00 0.00 0.00 176.54 176.38 1sx4 h VAL 54 N 0.14 1.08 -0.07 4.60 3.04 -1.86 0.33 116.25 123.52 1sx4 h VAL 54 Ca 0.45 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1sx4 h VAL 54 Cb 0.81 1.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1sx4 h VAL 54 CO -0.65 0.29 0.01 0.28 -1.01 0.00 0.00 177.57 176.49 1sx4 h SER 55 N 0.00 0.10 -0.26 3.17 0.02 -1.40 -2.73 113.55 112.45 1sx4 h SER 55 Ca -0.00 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1sx4 h SER 55 Cb 0.56 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1sx4 h SER 55 CO 0.04 0.32 0.09 0.58 -1.14 0.00 0.00 176.83 176.72 1sx4 h VAL 56 N -0.12 1.19 0.63 2.27 2.07 -1.17 -3.30 116.25 117.82 1sx4 h VAL 56 Ca 0.02 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1sx4 h VAL 56 Cb 0.26 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1sx4 h VAL 56 CO 0.00 0.20 -0.48 0.00 0.02 0.00 0.00 177.57 177.31 1sx4 h ALA 57 N 0.93 -1.21 -0.75 1.67 0.00 -0.21 -1.44 119.26 118.24 1sx4 h ALA 57 Ca 0.09 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.00 1sx4 h ALA 57 Cb 0.22 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1sx4 h ALA 57 CO -0.00 -1.20 0.97 0.54 0.00 0.00 0.00 179.25 179.56 1sx4 n ARG 58 N -5.43 0.01 0.12 0.00 5.12 -1.04 -0.55 116.66 114.90 1sx4 n ARG 58 Ca -0.13 0.81 0.12 0.00 -1.93 0.00 0.00 57.85 56.72 1sx4 n ARG 58 Cb 0.47 -2.04 0.14 0.00 -1.16 0.00 0.00 32.46 29.87 1sx4 n ARG 58 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1sx4 h GLU 59 N 0.00 0.00 -6.15 5.56 4.39 -1.33 -3.46 114.58 113.58 1sx4 h GLU 59 Ca 0.36 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.49 1sx4 h GLU 59 Cb 2.29 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.89 1sx4 h GLU 59 CO -0.00 0.00 0.66 0.42 -1.16 0.00 0.00 179.01 178.93 1sx4 s ILE 60 N -3.24 4.74 0.00 3.13 -1.09 0.29 -4.99 121.20 120.05 1sx4 s ILE 60 Ca 0.05 2.01 0.01 0.00 -2.23 0.00 0.00 60.65 60.48 1sx4 s ILE 60 Cb 0.10 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1sx4 s ILE 60 CO 0.71 -0.08 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.63 1sx4 s GLU 61 N 2.56 0.18 0.35 2.79 2.12 -1.26 -4.86 118.70 120.58 1sx4 s GLU 61 Ca 0.46 -0.17 0.09 0.00 0.36 0.00 0.00 54.97 55.71 1sx4 s GLU 61 Cb -0.17 -0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.05 1sx4 s GLU 61 CO 0.12 0.03 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.29 1sx4 s LEU 62 N -0.31 2.80 -0.06 2.70 1.02 -1.26 -5.03 118.68 118.54 1sx4 s LEU 62 Ca -0.02 -1.18 -0.02 0.00 0.02 0.00 0.00 54.13 52.93 1sx4 s LEU 62 Cb -0.02 -1.06 -0.26 0.00 0.02 0.00 0.00 46.19 44.86 1sx4 s LEU 62 CO -0.00 -0.24 0.61 -0.08 0.02 0.00 0.00 176.35 176.66 1sx4 h GLU 63 N 1.95 0.22 -6.19 1.70 4.81 -2.00 -3.42 114.58 111.64 1sx4 h GLU 63 Ca -0.42 -0.37 -0.58 0.00 -0.13 0.00 0.00 59.36 57.86 1sx4 h GLU 63 Cb 1.25 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1sx4 h GLU 63 CO 0.71 1.04 1.32 0.34 -0.73 0.00 0.00 179.01 181.69 1sx4 s ASP 64 N -6.85 5.85 0.56 1.04 2.15 -1.26 -4.87 116.67 113.30 1sx4 s ASP 64 Ca -0.14 1.59 0.29 0.00 0.43 0.00 0.00 52.55 54.72 1sx4 s ASP 64 Cb 0.07 -2.52 1.46 0.00 -0.30 0.00 0.00 42.92 41.63 1sx4 s ASP 64 CO 0.82 -1.69 1.93 0.11 -0.17 0.00 0.00 175.17 176.17 1sx4 h LYS 65 N 13.13 0.00 0.12 4.34 1.79 -1.92 0.35 116.57 134.37 1sx4 h LYS 65 Ca -0.37 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.94 1sx4 h LYS 65 Cb 1.19 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1sx4 h LYS 65 CO 1.00 0.00 -0.71 0.74 -1.08 0.00 0.00 179.45 179.40 1sx4 h PHE 66 N 0.00 0.49 -0.43 -1.35 0.04 -1.94 -2.72 116.94 111.03 1sx4 h PHE 66 Ca 0.28 -0.35 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1sx4 h PHE 66 Cb 1.25 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 1sx4 h PHE 66 CO 0.00 1.27 0.29 0.93 -0.60 0.00 0.00 178.31 180.19 1sx4 h GLU 67 N -0.43 0.56 -0.34 1.51 5.08 -1.29 -2.13 114.58 117.54 1sx4 h GLU 67 Ca -0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1sx4 h GLU 67 Cb 1.55 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1sx4 h GLU 67 CO 0.13 0.37 0.10 -0.97 -1.00 0.00 0.00 179.01 177.64 1sx4 h ASN 68 N 0.57 0.50 -0.93 1.42 -1.24 -0.39 -2.10 115.58 113.41 1sx4 h ASN 68 Ca 0.16 -0.21 0.09 0.00 0.71 0.00 0.00 56.30 57.05 1sx4 h ASN 68 Cb -0.05 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 38.80 1sx4 h ASN 68 CO -0.04 0.58 0.57 0.24 -1.29 0.00 0.00 177.43 177.50 1sx4 h MET 69 N 0.39 0.95 -0.23 6.67 2.86 -1.07 0.78 114.93 125.28 1sx4 h MET 69 Ca 0.11 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1sx4 h MET 69 Cb 0.27 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1sx4 h MET 69 CO -0.00 0.63 -0.17 0.78 1.06 0.00 0.00 176.91 179.21 1sx4 h GLY 70 N 0.98 -0.01 1.48 8.32 0.00 -0.98 -1.89 103.07 110.97 1sx4 h GLY 70 Ca 0.43 0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.80 1sx4 h GLY 70 CO -0.22 -0.17 -0.59 0.00 0.00 0.00 0.00 176.54 175.56 1sx4 h ALA 71 N 0.98 0.67 0.00 3.60 0.00 -0.24 -2.22 119.26 122.05 1sx4 h ALA 71 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sx4 h ALA 71 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sx4 h ALA 71 CO -0.33 0.70 0.00 1.96 0.00 0.00 0.00 179.25 181.58 1sx4 h GLN 72 N 0.40 0.00 0.00 0.00 1.08 0.75 -1.67 115.11 115.67 1sx4 h GLN 72 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sx4 h GLN 72 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1sx4 h GLN 72 CO 0.11 0.00 -0.06 0.52 -0.95 0.00 0.00 178.83 178.45 1sx4 h MET 73 N 0.00 0.00 -1.11 1.46 2.86 -0.76 -3.33 114.93 114.06 1sx4 h MET 73 Ca 0.00 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.96 1sx4 h MET 73 Cb 0.52 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1sx4 h MET 73 CO 0.00 0.00 0.79 -0.39 1.06 0.00 0.00 176.91 178.37 1sx4 h VAL 74 N -0.55 0.45 0.00 -2.22 -1.51 -1.46 0.15 116.25 111.11 1sx4 h VAL 74 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1sx4 h VAL 74 Cb 0.06 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1sx4 h VAL 74 CO 0.00 0.00 0.18 0.50 -1.23 0.00 0.00 177.57 177.02 1sx4 h LYS 75 N 0.02 0.00 -0.00 5.19 3.64 -1.41 0.30 116.57 124.32 1sx4 h LYS 75 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1sx4 h LYS 75 Cb 2.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1sx4 h LYS 75 CO -0.02 0.00 -0.27 -1.91 -2.27 0.00 0.00 179.45 174.98 1sx4 n GLU 76 N -2.90 0.10 -0.03 1.90 2.13 0.54 -1.22 120.64 121.15 1sx4 n GLU 76 Ca -0.02 -0.04 -0.15 0.00 0.66 0.00 0.00 57.16 57.60 1sx4 n GLU 76 Cb 0.23 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.32 1sx4 n GLU 76 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1sx4 h VAL 77 N 0.10 1.59 -0.81 6.31 -1.51 -0.55 -1.80 116.25 119.58 1sx4 h VAL 77 Ca 0.00 -2.02 0.01 0.00 -1.23 0.00 0.00 66.70 63.46 1sx4 h VAL 77 Cb 0.48 2.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.49 1sx4 h VAL 77 CO 0.00 0.55 0.54 0.00 -1.23 0.00 0.00 177.57 177.42 1sx4 h ALA 78 N 0.21 1.43 -0.18 5.19 0.00 -1.56 -0.68 119.26 123.67 1sx4 h ALA 78 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1sx4 h ALA 78 Cb 1.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 78 CO 0.04 0.53 -0.23 1.03 0.00 0.00 0.00 179.25 180.62 1sx4 h SER 79 N 1.10 0.51 0.31 0.00 0.87 -1.11 -3.19 113.55 112.05 1sx4 h SER 79 Ca 0.30 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1sx4 h SER 79 Cb -0.12 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1sx4 h SER 79 CO -0.07 0.92 -0.15 0.11 -0.53 0.00 0.00 176.83 177.11 1sx4 h LYS 80 N 0.12 -0.41 -0.56 2.24 1.79 -1.00 -2.37 116.57 116.37 1sx4 h LYS 80 Ca 0.02 0.03 0.22 0.00 -2.18 0.00 0.00 60.65 58.74 1sx4 h LYS 80 Cb 0.80 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.44 1sx4 h LYS 80 CO 0.06 -0.12 0.24 0.00 -1.08 0.00 0.00 179.45 178.54 1sx4 n ALA 81 N -2.43 0.51 0.06 3.86 0.00 -0.29 -1.59 120.51 120.63 1sx4 n ALA 81 Ca -0.10 0.58 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 1sx4 n ALA 81 Cb 0.25 -0.54 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1sx4 n ALA 81 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1sx4 h ASN 82 N 0.00 0.47 0.71 0.00 -0.00 -1.42 -2.81 115.58 112.53 1sx4 h ASN 82 Ca 0.45 -0.72 -0.01 0.00 -0.00 0.00 0.00 56.30 56.02 1sx4 h ASN 82 Cb 1.13 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 39.30 1sx4 h ASN 82 CO -0.45 1.61 -0.03 0.44 -0.00 0.00 0.00 177.43 179.00 1sx4 h ASP 83 N 0.08 0.00 0.18 1.15 3.32 -0.88 0.48 116.42 120.76 1sx4 h ASP 83 Ca -0.31 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.39 1sx4 h ASP 83 Cb 2.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.58 1sx4 h ASP 83 CO 0.16 0.03 -1.98 0.00 -1.72 0.00 0.00 179.24 175.73 1sx4 n ALA 84 N -2.12 1.02 -1.20 3.45 0.00 -0.62 -4.66 120.51 116.39 1sx4 n ALA 84 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1sx4 n ALA 84 Cb 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1sx4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 85 N -2.93 0.88 -3.72 0.00 0.00 -1.07 -5.02 120.51 108.65 1sx4 n ALA 85 Ca -0.30 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 1sx4 n ALA 85 Cb 1.05 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.44 1sx4 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 86 N 0.00 -0.36 3.49 0.00 0.00 0.17 -4.45 105.19 104.04 1sx4 n GLY 86 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1sx4 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sx4 s ASP 87 N -2.68 -0.44 0.00 1.61 -1.08 -1.26 -4.73 116.67 108.09 1sx4 s ASP 87 Ca 0.58 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1sx4 s ASP 87 Cb -0.34 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.57 1sx4 s ASP 87 CO 0.71 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 176.32 1sx4 n GLY 88 N -0.11 0.55 0.31 2.66 0.00 -1.26 -4.73 105.19 102.62 1sx4 n GLY 88 Ca -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1sx4 n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sx4 h THR 89 N 0.00 1.21 -0.26 2.61 1.35 -1.87 0.12 112.91 116.07 1sx4 h THR 89 Ca 0.00 -0.69 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 1sx4 h THR 89 Cb 0.00 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 1sx4 h THR 89 CO 0.00 0.27 -0.14 0.74 -0.25 0.00 0.00 175.52 176.14 1sx4 h THR 90 N 0.84 1.30 0.47 6.82 2.02 -1.92 -1.45 112.91 120.99 1sx4 h THR 90 Ca 0.20 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1sx4 h THR 90 Cb 0.19 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1sx4 h THR 90 CO -0.02 0.39 -0.45 0.74 0.37 0.00 0.00 175.52 176.55 1sx4 h THR 91 N 0.28 0.10 -0.67 3.16 2.02 -1.87 0.01 112.91 115.94 1sx4 h THR 91 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1sx4 h THR 91 Cb 0.66 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 1sx4 h THR 91 CO 0.04 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.46 1sx4 h ALA 92 N -0.68 -0.36 -0.62 6.16 0.00 -0.79 0.36 119.26 123.33 1sx4 h ALA 92 Ca -0.05 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1sx4 h ALA 92 Cb 0.81 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 1sx4 h ALA 92 CO -0.05 -0.85 0.06 1.15 0.00 0.00 0.00 179.25 179.55 1sx4 h THR 93 N -0.19 0.53 -0.86 0.00 2.02 -0.80 -0.12 112.91 113.50 1sx4 h THR 93 Ca 0.18 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1sx4 h THR 93 Cb 0.55 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1sx4 h THR 93 CO -0.75 0.03 0.52 0.58 0.37 0.00 0.00 175.52 176.27 1sx4 h VAL 94 N 0.17 1.24 -0.15 3.16 2.07 0.15 -0.79 116.25 122.09 1sx4 h VAL 94 Ca 0.33 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1sx4 h VAL 94 Cb 0.53 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1sx4 h VAL 94 CO -0.49 0.25 -0.43 -0.07 0.02 0.00 0.00 177.57 176.85 1sx4 h LEU 95 N 1.18 0.39 0.04 2.57 3.38 0.13 -2.87 115.31 120.14 1sx4 h LEU 95 Ca 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sx4 h LEU 95 Cb -0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sx4 h LEU 95 CO -0.06 0.77 -0.02 0.00 0.09 0.00 0.00 178.44 179.22 1sx4 h ALA 96 N 1.25 -0.06 -1.65 1.53 0.00 -0.52 0.20 119.26 120.01 1sx4 h ALA 96 Ca 0.02 -0.33 0.49 0.00 0.00 0.00 0.00 54.91 55.09 1sx4 h ALA 96 Cb 0.88 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1sx4 h ALA 96 CO 0.07 -0.14 1.17 0.37 0.00 0.00 0.00 179.25 180.73 1sx4 h GLN 97 N -0.85 0.02 0.12 0.00 5.75 -1.25 0.54 115.11 119.44 1sx4 h GLN 97 Ca -0.01 -0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 1sx4 h GLN 97 Cb 0.68 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1sx4 h GLN 97 CO 0.01 0.01 -1.81 0.00 -2.65 0.00 0.00 178.83 174.39 1sx4 h ALA 98 N 1.22 0.35 -0.14 3.38 0.00 -1.10 0.34 119.26 123.31 1sx4 h ALA 98 Ca 0.81 -1.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sx4 h ALA 98 Cb 3.15 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 21.59 1sx4 h ALA 98 CO -0.08 1.15 0.08 0.82 0.00 0.00 0.00 179.25 181.22 1sx4 h ILE 99 N -0.11 1.08 -0.28 0.00 2.04 0.10 -2.83 117.51 117.51 1sx4 h ILE 99 Ca -0.39 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1sx4 h ILE 99 Cb 1.92 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 1sx4 h ILE 99 CO 0.06 0.07 0.06 0.40 0.00 0.00 0.00 178.15 178.74 1sx4 h ILE 100 N 0.14 0.87 0.07 -0.67 2.04 -1.05 0.18 117.51 119.09 1sx4 h ILE 100 Ca 0.05 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1sx4 h ILE 100 Cb 0.04 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1sx4 h ILE 100 CO -0.01 0.03 -0.15 0.74 0.00 0.00 0.00 178.15 178.77 1sx4 h THR 101 N 0.17 0.00 -0.50 -0.27 2.02 -0.86 -1.37 112.91 112.09 1sx4 h THR 101 Ca 0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.40 1sx4 h THR 101 Cb 0.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 1sx4 h THR 101 CO -0.17 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.09 1sx4 h GLU 102 N -0.24 -0.17 -0.17 6.66 4.39 -1.47 -2.15 114.58 121.43 1sx4 h GLU 102 Ca -0.01 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1sx4 h GLU 102 Cb 0.22 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1sx4 h GLU 102 CO -0.06 -0.12 -0.21 0.78 -1.16 0.00 0.00 179.01 178.24 1sx4 h GLY 103 N -0.18 -0.16 1.99 -3.84 0.00 -0.51 -0.62 103.07 99.74 1sx4 h GLY 103 Ca 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1sx4 h GLY 103 CO -0.60 -0.19 -0.04 1.41 0.00 0.00 0.00 176.54 177.12 1sx4 h LEU 104 N -0.25 0.01 -0.96 3.11 3.38 -0.96 0.22 115.31 119.86 1sx4 h LEU 104 Ca 0.11 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1sx4 h LEU 104 Cb 0.42 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1sx4 h LEU 104 CO -0.32 0.05 -0.25 0.50 0.09 0.00 0.00 178.44 178.52 1sx4 h LYS 105 N 0.02 0.47 0.00 1.13 3.64 -0.50 -1.29 116.57 120.03 1sx4 h LYS 105 Ca 0.00 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1sx4 h LYS 105 Cb 0.08 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1sx4 h LYS 105 CO 0.01 0.68 -0.15 0.00 -2.27 0.00 0.00 179.45 177.71 1sx4 h ALA 106 N 1.33 0.90 -0.38 5.00 0.00 0.33 -1.98 119.26 124.47 1sx4 h ALA 106 Ca 0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1sx4 h ALA 106 Cb 0.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1sx4 h ALA 106 CO 0.05 0.19 -0.30 0.28 0.00 0.00 0.00 179.25 179.46 1sx4 h VAL 107 N 0.00 1.28 -0.19 0.00 2.07 -0.04 -2.45 116.25 116.92 1sx4 h VAL 107 Ca -0.00 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.10 1sx4 h VAL 107 Cb 1.11 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1sx4 h VAL 107 CO 0.02 0.49 0.14 0.00 0.02 0.00 0.00 177.57 178.23 1sx4 h ALA 108 N 0.77 2.14 0.00 1.67 0.00 -1.14 -0.60 119.26 122.11 1sx4 h ALA 108 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sx4 h ALA 108 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 108 CO 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1sx4 h ALA 109 N 1.90 1.00 0.00 0.00 0.00 -0.89 -3.46 119.26 117.82 1sx4 h ALA 109 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sx4 h ALA 109 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sx4 h ALA 109 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sx4 n GLY 110 N -0.23 1.13 3.83 0.00 0.00 -0.23 -5.10 105.19 104.58 1sx4 n GLY 110 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1sx4 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 111 N -0.08 2.63 -0.40 1.61 -1.94 -1.06 -5.01 119.30 115.05 1sx4 s MET 111 Ca 0.00 0.74 -0.19 0.00 -1.71 0.00 0.00 55.69 54.53 1sx4 s MET 111 Cb 0.00 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.88 1sx4 s MET 111 CO 0.00 -1.26 0.56 1.21 -0.01 0.00 0.00 175.02 175.51 1sx4 s ASN 112 N -3.95 6.30 0.46 3.03 2.47 -1.26 -4.69 114.94 117.30 1sx4 s ASN 112 Ca 0.59 -0.30 0.13 0.00 0.42 0.00 0.00 52.86 53.69 1sx4 s ASN 112 Cb -0.13 -2.28 1.06 0.00 -1.45 0.00 0.00 41.25 38.44 1sx4 s ASN 112 CO 0.54 -0.64 2.06 -0.65 -3.72 0.00 0.00 177.10 174.70 1sx4 h PRO 113 N 8.70 0.31 -0.25 0.43 0.11 -1.95 0.26 132.00 139.60 1sx4 h PRO 113 Ca -0.26 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1sx4 h PRO 113 Cb 1.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1sx4 h PRO 113 CO 0.83 0.20 0.05 0.52 -0.21 0.00 0.00 178.00 179.40 1sx4 h MET 114 N 0.31 0.36 0.05 1.05 2.86 -1.92 -0.91 114.93 116.73 1sx4 h MET 114 Ca 0.14 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.50 1sx4 h MET 114 Cb 0.18 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1sx4 h MET 114 CO -0.03 0.34 -1.04 -0.44 1.06 0.00 0.00 176.91 176.80 1sx4 h ASP 115 N 0.35 0.34 -0.47 1.22 3.32 -0.90 -2.34 116.42 117.94 1sx4 h ASP 115 Ca 0.09 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1sx4 h ASP 115 Cb 0.16 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1sx4 h ASP 115 CO -0.00 1.18 0.25 -0.07 -1.72 0.00 0.00 179.24 178.87 1sx4 h LEU 116 N 0.10 0.38 0.63 1.55 3.38 -0.91 -0.65 115.31 119.78 1sx4 h LEU 116 Ca -0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sx4 h LEU 116 Cb 1.72 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1sx4 h LEU 116 CO 0.16 0.26 -0.51 0.50 0.09 0.00 0.00 178.44 178.95 1sx4 h LYS 117 N 0.50 -1.06 -0.91 1.13 3.64 -1.16 -0.38 116.57 118.33 1sx4 h LYS 117 Ca 0.20 0.07 0.26 0.00 -1.27 0.00 0.00 60.65 59.91 1sx4 h LYS 117 Cb 0.09 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 31.99 1sx4 h LYS 117 CO -0.13 -0.71 0.24 0.00 -2.27 0.00 0.00 179.45 176.58 1sx4 h ARG 118 N -1.10 0.16 0.02 1.90 3.08 -1.06 0.34 114.38 117.72 1sx4 h ARG 118 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1sx4 h ARG 118 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1sx4 h ARG 118 CO 0.00 0.11 -0.01 0.78 -1.07 0.00 0.00 179.97 179.78 1sx4 h GLY 119 N 0.16 -0.02 0.52 0.04 0.00 -0.80 0.86 103.07 103.84 1sx4 h GLY 119 Ca 0.59 0.01 0.07 0.00 0.00 0.00 0.00 47.33 48.00 1sx4 h GLY 119 CO -0.71 -0.01 0.19 -2.22 0.00 0.00 0.00 176.54 173.79 1sx4 h ILE 120 N -0.06 0.83 -0.08 2.60 2.04 0.27 0.17 117.51 123.28 1sx4 h ILE 120 Ca -0.00 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1sx4 h ILE 120 Cb 0.05 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1sx4 h ILE 120 CO 0.00 0.07 -0.07 0.44 0.00 0.00 0.00 178.15 178.59 1sx4 h ASP 121 N 0.37 0.20 -0.46 1.72 3.32 -0.09 -1.90 116.42 119.58 1sx4 h ASP 121 Ca 0.25 -0.48 0.09 0.00 0.02 0.00 0.00 57.03 56.91 1sx4 h ASP 121 Cb 0.27 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 1sx4 h ASP 121 CO -0.25 0.63 -0.01 0.50 -1.72 0.00 0.00 179.24 178.39 1sx4 h LYS 122 N -0.23 0.09 -0.81 3.56 3.64 -0.44 0.40 116.57 122.79 1sx4 h LYS 122 Ca 0.01 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 1sx4 h LYS 122 Cb 0.57 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.22 1sx4 h LYS 122 CO 0.02 0.06 -0.15 0.00 -2.27 0.00 0.00 179.45 177.11 1sx4 h ALA 123 N 1.41 0.62 -0.12 5.00 0.00 -0.59 -2.08 119.26 123.51 1sx4 h ALA 123 Ca 0.23 0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 1sx4 h ALA 123 Cb 0.34 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1sx4 h ALA 123 CO -0.39 -0.42 -0.38 0.28 0.00 0.00 0.00 179.25 178.34 1sx4 h VAL 124 N 0.02 1.38 -0.85 0.00 2.07 0.52 0.24 116.25 119.63 1sx4 h VAL 124 Ca 0.40 -1.69 0.15 0.00 0.82 0.00 0.00 66.70 66.38 1sx4 h VAL 124 Cb 0.65 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 1sx4 h VAL 124 CO -0.81 0.50 0.55 0.74 0.02 0.00 0.00 177.57 178.58 1sx4 h THR 125 N 0.05 0.81 -0.12 2.57 2.02 -0.59 0.13 112.91 117.76 1sx4 h THR 125 Ca -0.01 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1sx4 h THR 125 Cb 1.00 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1sx4 h THR 125 CO 0.08 0.10 -0.10 0.00 0.37 0.00 0.00 175.52 175.97 1sx4 h ALA 126 N 1.62 0.18 -0.84 6.16 0.00 -1.07 -3.01 119.26 122.30 1sx4 h ALA 126 Ca 0.42 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sx4 h ALA 126 Cb 0.80 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1sx4 h ALA 126 CO -0.17 0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.64 1sx4 h ALA 127 N 0.61 1.09 -0.68 0.00 0.00 0.77 -2.13 119.26 118.92 1sx4 h ALA 127 Ca 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 127 Cb 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1sx4 h ALA 127 CO 0.03 0.41 0.18 0.28 0.00 0.00 0.00 179.25 180.14 1sx4 h VAL 128 N 1.08 1.26 0.11 0.00 2.07 -0.79 -0.23 116.25 119.74 1sx4 h VAL 128 Ca 0.32 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1sx4 h VAL 128 Cb -0.05 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1sx4 h VAL 128 CO -0.10 0.36 -0.14 -0.33 0.02 0.00 0.00 177.57 177.38 1sx4 h GLU 129 N 1.02 -0.28 -0.52 1.57 3.07 -1.37 -1.04 114.58 117.03 1sx4 h GLU 129 Ca 0.22 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.18 1sx4 h GLU 129 Cb 0.34 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.21 1sx4 h GLU 129 CO -0.00 -0.19 -0.43 0.93 -1.40 0.00 0.00 179.01 177.93 1sx4 h GLU 130 N -0.29 -0.25 -0.43 2.33 4.39 -0.78 -0.19 114.58 119.38 1sx4 h GLU 130 Ca 0.01 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1sx4 h GLU 130 Cb 0.29 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.90 1sx4 h GLU 130 CO -0.06 -0.16 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.31 1sx4 h LEU 131 N -0.26 -0.85 -2.86 1.33 3.38 -1.00 -0.54 115.31 114.52 1sx4 h LEU 131 Ca 0.17 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sx4 h LEU 131 Cb 0.57 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1sx4 h LEU 131 CO -0.65 -0.27 -0.00 0.11 0.09 0.00 0.00 178.44 177.72 1sx4 h LYS 132 N -0.17 0.00 0.09 1.13 1.57 0.32 -1.01 116.57 118.50 1sx4 h LYS 132 Ca 0.20 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.70 1sx4 h LYS 132 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1sx4 h LYS 132 CO -0.53 0.00 -1.39 0.00 -0.57 0.00 0.00 179.45 176.97 1sx4 h ALA 133 N 2.00 0.29 0.00 3.86 0.00 -0.24 -3.29 119.26 121.87 1sx4 h ALA 133 Ca -0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 54.91 53.68 1sx4 h ALA 133 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sx4 h ALA 133 CO 0.00 1.16 -0.83 -0.07 0.00 0.00 0.00 179.25 179.50 1sx4 h LEU 134 N 0.05 0.13 -9.27 0.00 4.07 0.01 -3.46 115.31 106.85 1sx4 h LEU 134 Ca -0.18 -0.10 -0.67 0.00 0.08 0.00 0.00 57.88 57.00 1sx4 h LEU 134 Cb 1.96 -0.04 0.04 0.00 1.08 0.00 0.00 40.66 43.70 1sx4 h LEU 134 CO 0.16 0.90 0.76 -0.24 -1.08 0.00 0.00 178.44 178.94 1sx4 n SER 135 N -3.63 2.42 -4.43 -0.43 2.88 -0.53 -4.85 113.62 105.05 1sx4 n SER 135 Ca -0.02 1.07 -0.31 0.00 -1.33 0.00 0.00 58.87 58.29 1sx4 n SER 135 Cb 0.79 -1.24 -0.13 0.00 -0.75 0.00 0.00 64.21 62.88 1sx4 n SER 135 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1sx4 s VAL 136 N 2.17 2.65 0.43 2.46 -7.23 -1.02 -4.90 120.40 114.96 1sx4 s VAL 136 Ca 0.90 -1.24 -0.25 0.00 -1.81 0.00 0.00 61.98 59.57 1sx4 s VAL 136 Cb -0.91 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 33.85 1sx4 s VAL 136 CO 0.53 0.34 1.35 -2.84 -0.31 0.00 0.00 175.10 174.16 1sx4 s PRO 137 N -1.42 3.83 -0.32 4.82 0.02 -1.26 -1.67 135.00 139.00 1sx4 s PRO 137 Ca 0.14 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 1sx4 s PRO 137 Cb -0.10 -2.69 0.05 0.00 0.02 0.00 0.00 34.50 31.77 1sx4 s PRO 137 CO 0.05 -0.64 0.06 0.00 -0.33 0.00 0.00 177.00 176.14 1sx4 n SER 139 N 4.72 0.00 -4.89 0.00 3.41 -1.26 -4.44 113.62 111.16 1sx4 n SER 139 Ca -0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 1sx4 n SER 139 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sx4 s ASP 140 N 0.00 6.13 0.36 4.04 1.47 -1.26 -4.99 116.67 122.42 1sx4 s ASP 140 Ca 0.00 1.13 0.05 0.00 1.18 0.00 0.00 52.55 54.91 1sx4 s ASP 140 Cb 0.00 -2.27 0.69 0.00 -0.34 0.00 0.00 42.92 41.00 1sx4 s ASP 140 CO 0.00 -0.80 1.95 0.28 0.68 0.00 0.00 175.17 177.28 1sx4 h SER 141 N -0.10 0.51 -0.34 2.11 0.02 -1.98 -2.83 113.55 110.94 1sx4 h SER 141 Ca -0.45 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1sx4 h SER 141 Cb 1.21 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1sx4 h SER 141 CO 0.62 0.49 0.18 0.50 -1.14 0.00 0.00 176.83 177.48 1sx4 h LYS 142 N 0.55 0.48 0.12 3.45 3.64 -1.98 -1.57 116.57 121.25 1sx4 h LYS 142 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1sx4 h LYS 142 Cb 0.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1sx4 h LYS 142 CO -0.01 0.41 -0.06 0.00 -2.27 0.00 0.00 179.45 177.53 1sx4 h ALA 143 N 1.04 -0.16 -0.86 5.00 0.00 -1.94 -1.97 119.26 120.37 1sx4 h ALA 143 Ca 0.12 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1sx4 h ALA 143 Cb 0.08 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.77 1sx4 h ALA 143 CO -0.02 -0.43 -0.17 0.82 0.00 0.00 0.00 179.25 179.45 1sx4 h ILE 144 N -0.47 0.15 -0.47 0.00 2.04 -1.50 0.34 117.51 117.59 1sx4 h ILE 144 Ca -0.02 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1sx4 h ILE 144 Cb 0.38 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1sx4 h ILE 144 CO 0.03 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.49 1sx4 h ALA 145 N 1.86 1.70 -0.33 1.87 0.00 -0.99 -0.94 119.26 122.44 1sx4 h ALA 145 Ca 0.43 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1sx4 h ALA 145 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 145 CO -0.87 0.26 -0.29 1.96 0.00 0.00 0.00 179.25 180.31 1sx4 h GLN 146 N 0.60 0.69 -0.04 0.00 4.20 0.32 0.14 115.11 121.02 1sx4 h GLN 146 Ca 0.18 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1sx4 h GLN 146 Cb -0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1sx4 h GLN 146 CO -0.04 0.90 -0.24 -0.39 -0.67 0.00 0.00 178.83 178.39 1sx4 h VAL 147 N 0.59 1.47 -0.55 -0.54 -1.51 0.07 -1.75 116.25 114.04 1sx4 h VAL 147 Ca 0.07 -1.74 0.06 0.00 -1.23 0.00 0.00 66.70 63.86 1sx4 h VAL 147 Cb 0.80 2.47 -0.09 0.00 -2.13 0.00 0.00 31.29 32.34 1sx4 h VAL 147 CO 0.07 0.48 -0.54 1.23 -1.23 0.00 0.00 177.57 177.58 1sx4 h GLY 148 N -0.33 -1.03 0.24 5.19 0.00 -1.21 -1.36 103.07 104.57 1sx4 h GLY 148 Ca -0.02 0.76 0.13 0.00 0.00 0.00 0.00 47.33 48.20 1sx4 h GLY 148 CO 0.05 -0.11 0.36 -0.84 0.00 0.00 0.00 176.54 176.00 1sx4 h THR 149 N -0.27 0.72 -0.23 4.70 2.02 -0.70 -0.52 112.91 118.64 1sx4 h THR 149 Ca 0.09 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 1sx4 h THR 149 Cb 0.51 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1sx4 h THR 149 CO -0.66 0.10 -0.52 -0.29 0.37 0.00 0.00 175.52 174.53 1sx4 h ILE 150 N 0.54 1.31 -0.54 3.11 6.09 -0.64 -1.31 117.51 126.07 1sx4 h ILE 150 Ca 0.42 -1.74 -0.04 0.00 -1.37 0.00 0.00 64.86 62.14 1sx4 h ILE 150 Cb 0.59 1.69 -0.03 0.00 0.47 0.00 0.00 36.82 39.54 1sx4 h ILE 150 CO -0.36 0.55 0.19 -1.28 -3.07 0.00 0.00 178.15 174.17 1sx4 h SER 151 N 0.50 0.72 -0.55 2.19 0.87 -0.75 -3.08 113.55 113.44 1sx4 h SER 151 Ca 0.02 -0.10 -0.33 0.00 -1.23 0.00 0.00 61.79 60.15 1sx4 h SER 151 Cb 1.07 -0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 1sx4 h SER 151 CO 0.10 0.67 0.32 0.00 -0.53 0.00 0.00 176.83 177.40 1sx4 n ALA 152 N -2.46 5.45 -3.63 6.23 0.00 -0.25 -4.69 120.51 121.16 1sx4 n ALA 152 Ca 0.04 -1.88 -0.26 0.00 0.00 0.00 0.00 53.44 51.35 1sx4 n ALA 152 Cb 0.18 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1sx4 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sx4 n ASN 153 N 0.73 -2.44 -0.15 0.00 4.05 -1.16 -2.05 115.26 114.23 1sx4 n ASN 153 Ca 0.33 -0.53 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1sx4 n ASN 153 Cb 0.59 -2.08 0.00 0.00 1.23 0.00 0.00 39.78 39.52 1sx4 n ASN 153 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1sx4 n SER 154 N -2.20 -1.06 -4.29 1.20 7.64 -0.52 -4.93 113.62 109.46 1sx4 n SER 154 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.47 1sx4 n SER 154 Cb 0.50 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1sx4 n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sx4 s ASP 155 N -2.76 6.37 0.54 6.43 -1.08 -0.87 -4.90 116.67 120.41 1sx4 s ASP 155 Ca 0.00 -2.37 0.29 0.00 -0.52 0.00 0.00 52.55 49.95 1sx4 s ASP 155 Cb 0.00 -2.16 1.45 0.00 -1.46 0.00 0.00 42.92 40.75 1sx4 s ASP 155 CO 0.00 -0.65 1.94 -0.33 0.52 0.00 0.00 175.17 176.65 1sx4 h GLU 156 N 8.11 0.00 -0.14 4.34 5.08 -1.90 -1.73 114.58 128.34 1sx4 h GLU 156 Ca -0.05 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 1sx4 h GLU 156 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sx4 h GLU 156 CO 0.84 0.00 -0.77 1.15 -1.00 0.00 0.00 179.01 179.23 1sx4 h THR 157 N 0.00 1.30 0.03 1.13 2.02 -1.97 -1.76 112.91 113.67 1sx4 h THR 157 Ca 0.31 -2.01 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1sx4 h THR 157 Cb 1.32 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1sx4 h THR 157 CO -0.00 0.63 -0.02 0.58 0.37 0.00 0.00 175.52 177.08 1sx4 h VAL 158 N 0.48 1.14 -0.61 3.16 2.07 -1.71 -0.62 116.25 120.17 1sx4 h VAL 158 Ca -0.05 -0.53 0.13 0.00 0.82 0.00 0.00 66.70 67.07 1sx4 h VAL 158 Cb 1.39 1.49 -0.10 0.00 -1.52 0.00 0.00 31.29 32.54 1sx4 h VAL 158 CO 0.15 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 179.08 1sx4 h GLY 159 N -0.28 0.60 0.88 2.17 0.00 -1.34 -0.08 103.07 105.03 1sx4 h GLY 159 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1sx4 h GLY 159 CO 0.01 -0.20 0.08 1.70 0.00 0.00 0.00 176.54 178.12 1sx4 h LYS 160 N 0.09 0.35 -0.42 4.80 3.64 -1.13 -0.05 116.57 123.84 1sx4 h LYS 160 Ca 0.31 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1sx4 h LYS 160 Cb 0.50 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1sx4 h LYS 160 CO -0.54 0.42 0.09 1.25 -2.27 0.00 0.00 179.45 178.40 1sx4 h LEU 161 N 0.20 0.65 0.33 5.20 5.85 -0.19 0.48 115.31 127.84 1sx4 h LEU 161 Ca 0.07 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1sx4 h LEU 161 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1sx4 h LEU 161 CO -0.00 0.73 -0.23 0.40 -0.34 0.00 0.00 178.44 178.99 1sx4 h ILE 162 N 0.54 0.52 -0.61 4.05 2.04 -0.98 0.33 117.51 123.39 1sx4 h ILE 162 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1sx4 h ILE 162 Cb 0.34 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1sx4 h ILE 162 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.37 1sx4 h ALA 163 N 0.07 0.79 -0.43 1.87 0.00 -0.51 0.74 119.26 121.79 1sx4 h ALA 163 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 163 Cb 0.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1sx4 h ALA 163 CO 0.02 -0.21 0.27 0.93 0.00 0.00 0.00 179.25 180.26 1sx4 h GLU 164 N 0.39 0.54 0.16 0.00 5.08 0.43 -2.63 114.58 118.54 1sx4 h GLU 164 Ca 0.31 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1sx4 h GLU 164 Cb 0.41 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1sx4 h GLU 164 CO -0.33 0.36 -0.08 0.00 -1.00 0.00 0.00 179.01 177.97 1sx4 h ALA 165 N 1.16 -0.21 -1.37 3.43 0.00 0.41 -2.50 119.26 120.17 1sx4 h ALA 165 Ca 0.16 -0.16 0.41 0.00 0.00 0.00 0.00 54.91 55.32 1sx4 h ALA 165 Cb -0.05 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1sx4 h ALA 165 CO -0.05 -0.48 0.93 0.52 0.00 0.00 0.00 179.25 180.18 1sx4 h MET 166 N -0.50 0.10 -0.03 0.00 2.86 -0.85 0.29 114.93 116.81 1sx4 h MET 166 Ca -0.02 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1sx4 h MET 166 Cb 0.39 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.04 1sx4 h MET 166 CO 0.04 0.07 -0.89 0.22 1.06 0.00 0.00 176.91 177.40 1sx4 h ASP 167 N 0.10 0.83 0.03 1.22 3.58 -1.07 -3.12 116.42 118.00 1sx4 h ASP 167 Ca 0.75 -0.72 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 1sx4 h ASP 167 Cb 2.57 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 43.35 1sx4 h ASP 167 CO -0.23 1.44 -0.70 0.11 -2.88 0.00 0.00 179.24 176.98 1sx4 h LYS 168 N 0.31 0.07 0.00 0.28 1.57 -0.15 -3.31 116.57 115.34 1sx4 h LYS 168 Ca -0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 168 Cb 1.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1sx4 h LYS 168 CO 0.18 1.06 0.00 1.33 -0.57 0.00 0.00 179.45 181.44 1sx4 n VAL 169 N -4.39 0.90 -3.29 0.50 0.24 -0.73 -4.68 118.33 106.86 1sx4 n VAL 169 Ca -0.20 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1sx4 n VAL 169 Cb 0.64 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1sx4 n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sx4 n GLY 170 N 0.02 -0.52 0.09 7.63 0.00 -1.18 -3.27 105.19 107.96 1sx4 n GLY 170 Ca 0.03 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.81 1sx4 n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sx4 n LYS 171 N 0.00 0.63 -0.60 1.61 5.02 -1.26 -4.28 118.16 119.28 1sx4 n LYS 171 Ca 0.00 0.13 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1sx4 n LYS 171 Cb 0.00 -1.76 0.24 0.00 -0.02 0.00 0.00 35.03 33.50 1sx4 n LYS 171 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sx4 n GLU 172 N -2.75 2.65 -4.07 1.97 1.02 -1.26 -4.99 120.64 113.21 1sx4 n GLU 172 Ca -0.08 -2.96 -0.33 0.00 -0.02 0.00 0.00 57.16 53.77 1sx4 n GLU 172 Cb 0.76 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1sx4 n GLU 172 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sx4 s GLY 173 N -2.04 2.04 0.32 0.62 0.00 -1.22 -3.89 107.32 103.16 1sx4 s GLY 173 Ca 0.44 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 1sx4 s GLY 173 CO 0.07 -0.72 0.72 0.14 0.00 0.00 0.00 173.10 173.30 1sx4 s VAL 174 N -1.21 4.72 -0.08 1.40 1.01 -1.24 -4.92 120.40 120.09 1sx4 s VAL 174 Ca 0.23 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1sx4 s VAL 174 Cb -0.12 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1sx4 s VAL 174 CO 0.14 -0.20 -0.07 -0.63 0.00 0.00 0.00 175.10 174.34 1sx4 s ILE 175 N -2.00 0.83 0.11 2.22 1.01 -1.26 -1.55 121.20 120.56 1sx4 s ILE 175 Ca 0.53 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1sx4 s ILE 175 Cb -0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1sx4 s ILE 175 CO 0.19 0.31 -0.21 0.42 0.00 0.00 0.00 174.94 175.66 1sx4 s THR 176 N 1.30 1.77 -0.08 2.92 -4.23 -0.69 -5.00 115.64 111.63 1sx4 s THR 176 Ca -0.04 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1sx4 s THR 176 Cb -0.14 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1sx4 s THR 176 CO -0.03 -0.09 -0.16 0.68 -0.54 0.00 0.00 174.62 174.49 1sx4 s VAL 177 N -1.29 2.91 0.10 2.29 -7.23 -1.26 -0.05 120.40 115.87 1sx4 s VAL 177 Ca 0.08 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.39 1sx4 s VAL 177 Cb -0.09 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1sx4 s VAL 177 CO 0.05 0.57 0.24 -1.83 -0.31 0.00 0.00 175.10 173.81 1sx4 s GLU 178 N -0.29 0.90 0.36 4.82 -1.05 -0.56 -4.96 118.70 117.92 1sx4 s GLU 178 Ca 0.02 -0.90 -0.27 0.00 -0.15 0.00 0.00 54.97 53.66 1sx4 s GLU 178 Cb -0.13 0.37 -0.12 0.00 -0.44 0.00 0.00 34.13 33.82 1sx4 s GLU 178 CO 0.03 -0.30 1.23 -0.25 0.95 0.00 0.00 175.26 176.91 1sx4 n ASP 179 N -0.10 2.41 -4.94 0.83 8.00 -1.26 -2.88 116.55 118.60 1sx4 n ASP 179 Ca -0.15 1.17 -0.20 0.00 0.71 0.00 0.00 54.79 56.32 1sx4 n ASP 179 Cb 0.63 -1.45 0.05 0.00 -0.02 0.00 0.00 41.12 40.32 1sx4 n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1sx4 s GLY 180 N -0.42 1.84 -0.18 0.44 0.00 -0.53 -4.73 107.32 103.74 1sx4 s GLY 180 Ca 0.58 -1.62 -0.21 0.00 0.00 0.00 0.00 44.72 43.47 1sx4 s GLY 180 CO 0.61 -1.29 0.32 -0.91 0.00 0.00 0.00 173.10 171.83 1sx4 h THR 181 N 0.14 1.03 -0.83 0.90 1.35 -1.91 -3.47 112.91 110.12 1sx4 h THR 181 Ca -0.39 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1sx4 h THR 181 Cb 1.29 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1sx4 h THR 181 CO 0.46 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1sx4 n GLY 182 N 1.52 1.46 0.07 5.82 0.00 -1.26 -4.97 105.19 107.83 1sx4 n GLY 182 Ca -0.21 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.07 1sx4 n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sx4 n LEU 183 N 0.00 0.34 -4.91 0.99 4.77 -1.26 -3.23 117.00 113.70 1sx4 n LEU 183 Ca 0.00 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 1sx4 n LEU 183 Cb 0.00 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1sx4 n LEU 183 CO 0.00 0.14 -0.10 -1.10 -1.33 0.00 0.00 177.39 174.99 1sx4 s GLN 184 N -3.09 3.49 0.47 3.23 1.11 -1.26 -3.67 119.66 119.94 1sx4 s GLN 184 Ca -0.06 -0.29 -0.23 0.00 0.01 0.00 0.00 55.36 54.79 1sx4 s GLN 184 Cb 0.10 -3.02 -0.07 0.00 -1.01 0.00 0.00 33.01 29.01 1sx4 s GLN 184 CO 0.85 0.60 1.16 -0.51 0.01 0.00 0.00 175.29 177.40 1sx4 s ASP 185 N -2.26 6.14 -0.07 5.90 1.01 -1.26 -4.02 116.67 122.11 1sx4 s ASP 185 Ca 0.33 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.85 1sx4 s ASP 185 Cb -0.13 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.23 1sx4 s ASP 185 CO 0.24 -0.94 0.16 -0.70 0.21 0.00 0.00 175.17 174.13 1sx4 s GLU 186 N -2.75 0.13 -0.26 8.23 2.12 -0.44 -4.97 118.70 120.76 1sx4 s GLU 186 Ca 0.64 0.33 -0.07 0.00 0.36 0.00 0.00 54.97 56.24 1sx4 s GLU 186 Cb -0.28 -0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.01 1sx4 s GLU 186 CO 0.34 -0.12 0.06 -1.17 -0.54 0.00 0.00 175.26 173.83 1sx4 s LEU 187 N 0.83 3.52 -0.09 2.70 2.96 -1.26 -0.71 118.68 126.63 1sx4 s LEU 187 Ca -0.06 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1sx4 s LEU 187 Cb -0.08 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1sx4 s LEU 187 CO -0.04 -0.09 0.19 -1.81 -1.32 0.00 0.00 176.35 173.28 1sx4 s ASP 188 N 1.55 6.47 -0.16 3.68 1.01 -0.42 -4.99 116.67 123.81 1sx4 s ASP 188 Ca 0.05 0.56 -0.02 0.00 0.71 0.00 0.00 52.55 53.85 1sx4 s ASP 188 Cb -0.16 -2.10 0.05 0.00 1.01 0.00 0.00 42.92 41.72 1sx4 s ASP 188 CO 0.02 0.39 0.01 -0.69 0.21 0.00 0.00 175.17 175.11 1sx4 s VAL 189 N -1.05 0.59 0.17 -1.27 1.01 -1.26 -1.10 120.40 117.49 1sx4 s VAL 189 Ca 0.17 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1sx4 s VAL 189 Cb -0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 1sx4 s VAL 189 CO 0.06 -0.04 0.65 -0.69 0.00 0.00 0.00 175.10 175.09 1sx4 s VAL 190 N 1.85 4.66 -0.27 2.92 1.01 -0.35 -5.01 120.40 125.21 1sx4 s VAL 190 Ca 0.01 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1sx4 s VAL 190 Cb -0.16 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1sx4 s VAL 190 CO -0.07 0.32 0.26 -1.61 0.00 0.00 0.00 175.10 174.00 1sx4 s GLU 191 N -1.71 3.98 5.52 2.72 0.41 -1.26 -3.47 118.70 124.89 1sx4 s GLU 191 Ca 0.38 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 1sx4 s GLU 191 Cb -0.17 -3.65 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1sx4 s GLU 191 CO 0.21 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.18 1sx4 n GLY 192 N 4.87 1.77 3.73 -1.39 0.00 -1.26 -4.82 105.19 108.09 1sx4 n GLY 192 Ca -0.12 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1sx4 n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sx4 s MET 193 N 0.00 4.10 -0.26 1.61 -2.45 -1.24 -4.71 119.30 116.35 1sx4 s MET 193 Ca 0.00 -0.23 -0.25 0.00 -1.25 0.00 0.00 55.69 53.96 1sx4 s MET 193 Cb 0.00 -3.37 0.10 0.00 1.25 0.00 0.00 34.83 32.80 1sx4 s MET 193 CO 0.00 0.34 0.87 -1.14 1.05 0.00 0.00 175.02 176.14 1sx4 s GLN 194 N 0.25 0.68 0.39 4.11 0.74 -1.26 -2.18 119.66 122.39 1sx4 s GLN 194 Ca 0.08 0.76 0.05 0.00 0.05 0.00 0.00 55.36 56.30 1sx4 s GLN 194 Cb -0.11 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.31 1sx4 s GLN 194 CO -0.01 -0.09 0.20 -0.59 -0.55 0.00 0.00 175.29 174.25 1sx4 s PHE 195 N 0.20 1.78 -0.32 1.67 -0.71 -0.36 -5.00 117.98 115.24 1sx4 s PHE 195 Ca 0.01 -1.48 -0.01 0.00 -1.04 0.00 0.00 56.93 54.41 1sx4 s PHE 195 Cb -0.05 -0.98 0.18 0.00 -1.21 0.00 0.00 43.02 40.96 1sx4 s PHE 195 CO -0.02 -0.56 2.16 -0.25 -1.34 0.00 0.00 175.22 175.21 1sx4 n ASP 196 N -1.52 6.41 -4.05 1.98 8.00 -1.26 -2.32 116.55 123.79 1sx4 n ASP 196 Ca -0.01 -3.05 -0.27 0.00 0.71 0.00 0.00 54.79 52.17 1sx4 n ASP 196 Cb 0.64 -1.09 -0.17 0.00 -0.02 0.00 0.00 41.12 40.48 1sx4 n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sx4 s ARG 197 N -1.69 2.03 0.44 -1.24 1.81 -1.12 -4.64 118.95 114.55 1sx4 s ARG 197 Ca 0.35 -0.51 0.03 0.00 -1.72 0.00 0.00 55.73 53.88 1sx4 s ARG 197 Cb 0.26 -1.68 0.01 0.00 -0.45 0.00 0.00 34.95 33.08 1sx4 s ARG 197 CO -0.03 0.00 0.63 0.20 -0.68 0.00 0.00 175.30 175.42 1sx4 s GLY 198 N 0.78 1.69 0.61 -3.53 0.00 -1.24 -0.02 107.32 105.62 1sx4 s GLY 198 Ca -0.12 -1.31 -0.18 0.00 0.00 0.00 0.00 44.72 43.11 1sx4 s GLY 198 CO 0.02 -1.14 0.70 1.58 0.00 0.00 0.00 173.10 174.26 1sx4 n TYR 199 N -2.00 -0.12 0.37 1.90 0.18 -1.12 -4.26 117.16 112.12 1sx4 n TYR 199 Ca 0.04 0.42 0.12 0.00 1.88 0.00 0.00 57.90 60.36 1sx4 n TYR 199 Cb 0.58 -2.02 0.14 0.00 -0.38 0.00 0.00 39.34 37.66 1sx4 n TYR 199 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1sx4 h LEU 200 N 0.19 0.00 -7.54 -3.48 3.38 -1.57 -3.44 115.31 102.85 1sx4 h LEU 200 Ca -0.47 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.14 1sx4 h LEU 200 Cb 1.38 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.81 1sx4 h LEU 200 CO 0.48 0.05 -0.68 -0.94 0.09 0.00 0.00 178.44 177.43 1sx4 s SER 201 N -4.91 -0.01 0.00 -0.43 1.04 -1.26 -5.02 113.70 103.11 1sx4 s SER 201 Ca 0.05 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1sx4 s SER 201 Cb 0.11 0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.42 1sx4 s SER 201 CO 0.73 -0.11 0.68 -2.65 0.98 0.00 0.00 173.24 172.87 1sx4 n PRO 202 N 3.91 0.07 0.10 4.02 -0.02 -1.26 -2.31 135.00 139.51 1sx4 n PRO 202 Ca -0.24 0.05 -0.02 0.00 -2.02 0.00 0.00 63.50 61.27 1sx4 n PRO 202 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.47 1sx4 n PRO 202 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1sx4 h TYR 203 N 0.00 0.00 -0.18 6.00 0.05 -1.98 -3.24 116.97 117.61 1sx4 h TYR 203 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1sx4 h TYR 203 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1sx4 h TYR 203 CO 0.00 0.71 0.15 0.74 -1.05 0.00 0.00 178.16 178.72 1sx4 h PHE 204 N 0.00 0.00 -1.36 4.88 0.04 -1.80 -3.43 116.94 115.26 1sx4 h PHE 204 Ca -0.02 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.14 1sx4 h PHE 204 Cb 1.56 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.70 1sx4 h PHE 204 CO 0.00 0.00 1.49 -0.89 -0.60 0.00 0.00 178.31 178.31 1sx4 n ILE 205 N -4.18 0.19 1.29 -0.55 5.41 -1.23 -4.84 119.36 115.44 1sx4 n ILE 205 Ca 0.01 -0.38 0.13 0.00 1.00 0.00 0.00 62.75 63.51 1sx4 n ILE 205 Cb 0.29 -2.02 0.35 0.00 -0.71 0.00 0.00 39.64 37.55 1sx4 n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1sx4 n ASN 206 N 11.28 1.65 -3.53 4.38 0.23 -1.26 -4.63 115.26 123.38 1sx4 n ASN 206 Ca 0.39 -1.39 -0.29 0.00 -0.53 0.00 0.00 54.58 52.76 1sx4 n ASN 206 Cb 0.33 0.09 -0.12 0.00 -2.08 0.00 0.00 39.78 38.00 1sx4 n ASN 206 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sx4 s LYS 207 N -2.21 0.90 0.53 -3.83 1.02 -1.20 -4.99 119.74 109.96 1sx4 s LYS 207 Ca 0.30 -1.76 0.28 0.00 0.02 0.00 0.00 55.97 54.81 1sx4 s LYS 207 Cb 0.20 -1.69 1.50 0.00 -0.52 0.00 0.00 37.83 37.32 1sx4 s LYS 207 CO 0.41 -1.24 2.09 -1.00 -0.92 0.00 0.00 175.35 174.70 1sx4 h PRO 208 N 6.57 0.00 -0.85 -1.68 0.13 -1.82 -2.73 132.00 131.62 1sx4 h PRO 208 Ca 0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1sx4 h PRO 208 Cb 0.94 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1sx4 h PRO 208 CO 0.36 0.10 0.56 0.93 -0.23 0.00 0.00 178.00 179.73 1sx4 h GLU 209 N 0.00 1.10 0.00 0.86 3.07 -1.95 -0.80 114.58 116.86 1sx4 h GLU 209 Ca -0.00 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.63 1sx4 h GLU 209 Cb 0.30 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1sx4 h GLU 209 CO 0.01 0.73 -0.90 1.15 -1.40 0.00 0.00 179.01 178.61 1sx4 h THR 210 N 1.14 1.10 -0.41 1.13 2.02 -2.00 -3.47 112.91 112.42 1sx4 h THR 210 Ca 0.32 -2.64 -0.07 0.00 0.77 0.00 0.00 66.41 64.79 1sx4 h THR 210 Cb -0.10 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1sx4 h THR 210 CO -0.07 0.63 -0.08 0.61 0.37 0.00 0.00 175.52 176.97 1sx4 n GLY 211 N 1.32 0.34 3.07 2.16 0.00 -0.31 -5.05 105.19 106.72 1sx4 n GLY 211 Ca -0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1sx4 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 s ALA 212 N -2.16 0.37 -0.02 4.61 0.00 -1.06 -4.49 121.76 119.00 1sx4 s ALA 212 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1sx4 s ALA 212 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1sx4 s ALA 212 CO 0.00 -0.32 0.29 0.08 0.00 0.00 0.00 175.76 175.81 1sx4 s VAL 213 N -3.26 5.25 -0.09 0.00 1.01 0.59 -3.27 120.40 120.64 1sx4 s VAL 213 Ca 0.01 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 1sx4 s VAL 213 Cb 0.03 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1sx4 s VAL 213 CO -0.08 0.49 0.18 -0.70 0.00 0.00 0.00 175.10 174.99 1sx4 s GLU 214 N -1.38 0.07 0.03 2.72 2.12 -1.26 -0.95 118.70 120.06 1sx4 s GLU 214 Ca 0.24 0.55 0.04 0.00 0.36 0.00 0.00 54.97 56.16 1sx4 s GLU 214 Cb -0.14 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.03 1sx4 s GLU 214 CO 0.12 -0.26 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.94 1sx4 s LEU 215 N 2.00 2.15 -0.05 2.70 1.43 -0.89 -4.92 118.68 121.10 1sx4 s LEU 215 Ca -0.01 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1sx4 s LEU 215 Cb -0.12 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1sx4 s LEU 215 CO -0.06 0.03 -0.25 -1.61 0.23 0.00 0.00 176.35 174.69 1sx4 s GLU 216 N -1.01 2.46 -1.57 1.70 2.02 -1.26 -0.83 118.70 120.20 1sx4 s GLU 216 Ca 0.01 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 53.96 1sx4 s GLU 216 Cb -0.07 -2.14 0.10 0.00 0.10 0.00 0.00 34.13 32.11 1sx4 s GLU 216 CO 0.01 0.43 0.87 0.43 0.02 0.00 0.00 175.26 177.02 1sx4 n SER 217 N 2.82 -3.84 -4.81 -0.19 7.64 -0.27 -4.61 113.62 110.37 1sx4 n SER 217 Ca -0.17 -0.87 -0.35 0.00 1.01 0.00 0.00 58.87 58.48 1sx4 n SER 217 Cb 0.52 -3.46 -0.06 0.00 -1.01 0.00 0.00 64.21 60.19 1sx4 n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sx4 s PRO 218 N -6.69 4.29 0.56 1.43 0.04 -1.21 -4.58 135.00 128.85 1sx4 s PRO 218 Ca 0.61 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1sx4 s PRO 218 Cb -0.32 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 1sx4 s PRO 218 CO 0.87 0.28 1.03 -0.06 0.04 0.00 0.00 177.00 179.16 1sx4 s PHE 219 N -1.69 3.15 -0.14 0.56 0.08 -0.10 -2.83 117.98 117.01 1sx4 s PHE 219 Ca 0.49 1.50 0.01 0.00 0.12 0.00 0.00 56.93 59.04 1sx4 s PHE 219 Cb -0.15 -2.93 0.02 0.00 -0.57 0.00 0.00 43.02 39.39 1sx4 s PHE 219 CO 0.20 -0.84 -0.14 0.42 -0.10 0.00 0.00 175.22 174.76 1sx4 s ILE 220 N -2.50 1.49 -0.35 0.64 1.01 0.79 0.06 121.20 122.34 1sx4 s ILE 220 Ca 0.62 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1sx4 s ILE 220 Cb -0.14 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1sx4 s ILE 220 CO 0.35 0.44 0.26 -0.22 0.00 0.00 0.00 174.94 175.77 1sx4 s LEU 221 N 1.42 4.58 -0.39 2.97 2.96 0.19 -0.76 118.68 129.64 1sx4 s LEU 221 Ca 0.03 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 1sx4 s LEU 221 Cb -0.13 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.43 1sx4 s LEU 221 CO -0.09 -0.27 0.25 -0.76 -1.32 0.00 0.00 176.35 174.16 1sx4 s LEU 222 N 1.75 4.93 -0.25 -0.68 1.43 -1.26 -0.66 118.68 123.94 1sx4 s LEU 222 Ca 0.07 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 1sx4 s LEU 222 Cb -0.17 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1sx4 s LEU 222 CO 0.11 -0.43 -0.09 0.00 0.23 0.00 0.00 176.35 176.16 1sx4 s ALA 223 N 1.59 2.60 -1.37 4.21 0.00 -0.60 -1.68 121.76 126.52 1sx4 s ALA 223 Ca 0.03 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 1sx4 s ALA 223 Cb -0.20 -1.60 0.10 0.00 0.00 0.00 0.00 23.12 21.43 1sx4 s ALA 223 CO 0.08 -0.95 2.14 -3.47 0.00 0.00 0.00 175.76 173.56 1sx4 n ASP 224 N 4.56 5.47 0.00 0.00 2.03 -0.95 -2.23 116.55 125.44 1sx4 n ASP 224 Ca -0.16 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.16 1sx4 n ASP 224 Cb 0.45 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1sx4 n ASP 224 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1sx4 n LYS 225 N 4.16 0.00 -1.73 -0.67 2.85 -1.26 -4.35 118.16 117.16 1sx4 n LYS 225 Ca 0.50 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.38 1sx4 n LYS 225 Cb 0.34 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.78 1sx4 n LYS 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1sx4 n LYS 226 N -0.09 1.44 -4.04 -1.58 5.02 -1.26 -3.20 118.16 114.45 1sx4 n LYS 226 Ca 0.00 0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 1sx4 n LYS 226 Cb 0.00 -2.53 -0.15 0.00 -0.02 0.00 0.00 35.03 32.32 1sx4 n LYS 226 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sx4 s ILE 227 N -1.33 2.14 -0.15 -0.18 1.01 -0.12 -4.92 121.20 117.65 1sx4 s ILE 227 Ca 0.76 -1.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 1sx4 s ILE 227 Cb -0.41 -2.35 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 1sx4 s ILE 227 CO 0.46 -0.20 -0.18 -1.20 0.00 0.00 0.00 174.94 173.82 1sx4 n SER 228 N 4.40 1.67 -4.69 3.58 7.64 -1.26 -2.72 113.62 122.23 1sx4 n SER 228 Ca -0.09 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.51 1sx4 n SER 228 Cb 0.42 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 1sx4 n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1sx4 s ASN 229 N -6.10 6.68 0.47 6.43 0.01 -1.26 -0.51 114.94 120.66 1sx4 s ASN 229 Ca -0.21 0.82 0.26 0.00 -0.71 0.00 0.00 52.86 53.02 1sx4 s ASN 229 Cb 0.07 -2.32 1.05 0.00 0.41 0.00 0.00 41.25 40.47 1sx4 s ASN 229 CO 0.30 -0.12 1.88 -0.29 -1.51 0.00 0.00 177.10 177.36 1sx4 h ILE 230 N 4.94 0.48 -0.84 0.60 2.10 -1.89 -3.02 117.51 119.87 1sx4 h ILE 230 Ca -0.37 -0.96 0.20 0.00 1.08 0.00 0.00 64.86 64.81 1sx4 h ILE 230 Cb 1.17 1.68 -0.12 0.00 -1.09 0.00 0.00 36.82 38.45 1sx4 h ILE 230 CO 0.75 0.18 0.28 0.03 -1.08 0.00 0.00 178.15 178.32 1sx4 h ARG 231 N 0.00 0.30 0.00 2.19 3.08 -2.00 0.18 114.38 118.13 1sx4 h ARG 231 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1sx4 h ARG 231 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1sx4 h ARG 231 CO 0.02 0.20 0.00 0.93 -1.07 0.00 0.00 179.97 180.05 1sx4 h GLU 232 N 0.31 0.00 0.06 0.04 5.08 -1.96 -2.96 114.58 115.15 1sx4 h GLU 232 Ca 0.51 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.50 1sx4 h GLU 232 Cb 0.96 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1sx4 h GLU 232 CO -0.56 0.00 -2.21 -1.33 -1.00 0.00 0.00 179.01 173.91 1sx4 n MET 233 N -2.82 0.70 -0.39 2.33 2.81 0.63 -2.86 117.12 117.51 1sx4 n MET 233 Ca -0.02 0.22 -0.03 0.00 -1.81 0.00 0.00 57.70 56.05 1sx4 n MET 233 Cb 0.06 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 30.96 1sx4 n MET 233 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1sx4 h LEU 234 N -0.02 -1.60 -1.78 4.03 3.38 -1.33 0.42 115.31 118.41 1sx4 h LEU 234 Ca -0.50 0.32 0.28 0.00 0.09 0.00 0.00 57.88 58.07 1sx4 h LEU 234 Cb 1.94 0.80 -0.06 0.00 0.09 0.00 0.00 40.66 43.44 1sx4 h LEU 234 CO -0.02 -0.28 0.71 1.55 0.09 0.00 0.00 178.44 180.50 1sx4 h PRO 235 N -0.00 0.15 0.00 1.13 0.13 -1.85 -2.59 132.00 128.97 1sx4 h PRO 235 Ca 0.31 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.42 1sx4 h PRO 235 Cb 0.56 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1sx4 h PRO 235 CO -0.98 0.10 -0.31 0.28 -0.23 0.00 0.00 178.00 176.85 1sx4 h VAL 236 N 0.15 0.11 -0.91 1.56 2.07 -0.45 -3.15 116.25 115.63 1sx4 h VAL 236 Ca 0.52 -1.10 0.26 0.00 0.82 0.00 0.00 66.70 67.20 1sx4 h VAL 236 Cb 1.76 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1sx4 h VAL 236 CO -0.10 0.04 0.89 -0.07 0.02 0.00 0.00 177.57 178.34 1sx4 h LEU 237 N -1.00 0.00 0.03 2.57 3.38 -1.14 0.89 115.31 120.04 1sx4 h LEU 237 Ca -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 1sx4 h LEU 237 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1sx4 h LEU 237 CO -0.01 0.00 -1.93 -0.62 0.09 0.00 0.00 178.44 175.97 1sx4 n GLU 238 N -3.63 0.67 0.11 1.13 1.02 -0.99 -1.95 120.64 116.99 1sx4 n GLU 238 Ca 0.20 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1sx4 n GLU 238 Cb 1.19 -1.72 0.44 0.00 -0.02 0.00 0.00 31.44 31.34 1sx4 n GLU 238 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 239 N 0.70 1.65 0.04 0.62 0.00 -0.82 -2.47 119.26 118.98 1sx4 h ALA 239 Ca -0.38 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.17 1sx4 h ALA 239 Cb 2.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1sx4 h ALA 239 CO 0.06 0.26 -1.04 0.28 0.00 0.00 0.00 179.25 178.81 1sx4 h VAL 240 N 0.29 1.40 0.00 0.00 2.07 -1.32 -3.11 116.25 115.58 1sx4 h VAL 240 Ca 0.07 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.99 1sx4 h VAL 240 Cb 0.17 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1sx4 h VAL 240 CO 0.00 0.77 -0.12 0.00 0.02 0.00 0.00 177.57 178.23 1sx4 h ALA 241 N 0.64 1.49 0.06 1.67 0.00 -1.17 -2.00 119.26 119.95 1sx4 h ALA 241 Ca -0.11 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1sx4 h ALA 241 Cb 1.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1sx4 h ALA 241 CO 0.18 0.15 -1.07 0.87 0.00 0.00 0.00 179.25 179.38 1sx4 h LYS 242 N 0.00 0.23 0.00 0.00 1.57 -1.47 -3.26 116.57 113.65 1sx4 h LYS 242 Ca -0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1sx4 h LYS 242 Cb 0.27 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sx4 h LYS 242 CO 0.02 1.11 -0.12 0.00 -0.57 0.00 0.00 179.45 179.88 1sx4 n ALA 243 N -2.49 2.60 -1.53 3.86 0.00 -0.98 -4.95 120.51 117.01 1sx4 n ALA 243 Ca -0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 1sx4 n ALA 243 Cb 0.93 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1sx4 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 244 N 1.48 0.97 3.63 0.00 0.00 -0.79 -5.01 105.19 105.47 1sx4 n GLY 244 Ca 0.06 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1sx4 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx4 s LYS 245 N -3.34 2.31 0.99 1.61 1.02 -1.24 -5.07 119.74 116.03 1sx4 s LYS 245 Ca 0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 1sx4 s LYS 245 Cb 0.00 -2.36 0.18 0.00 -0.52 0.00 0.00 37.83 35.13 1sx4 s LYS 245 CO 0.00 0.49 1.11 -1.25 -0.92 0.00 0.00 175.35 174.78 1sx4 s PRO 246 N -2.54 0.48 -0.05 -1.68 0.04 -1.26 -4.75 135.00 125.24 1sx4 s PRO 246 Ca 0.25 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 1sx4 s PRO 246 Cb -0.10 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1sx4 s PRO 246 CO 0.17 -2.66 0.10 -1.17 0.04 0.00 0.00 177.00 173.47 1sx4 s LEU 247 N -6.36 0.89 -0.11 -3.56 2.96 0.18 -0.93 118.68 111.76 1sx4 s LEU 247 Ca 0.65 0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 54.67 1sx4 s LEU 247 Cb -0.16 0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 1sx4 s LEU 247 CO 0.56 -0.14 0.18 -0.22 -1.32 0.00 0.00 176.35 175.42 1sx4 s LEU 248 N 1.09 4.39 -0.28 -0.68 2.96 0.11 -1.68 118.68 124.60 1sx4 s LEU 248 Ca -0.09 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1sx4 s LEU 248 Cb -0.12 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.47 1sx4 s LEU 248 CO -0.05 0.38 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.67 1sx4 s ILE 249 N -0.92 2.61 -0.41 6.68 -1.09 -0.11 0.53 121.20 128.49 1sx4 s ILE 249 Ca 0.16 -1.45 -0.04 0.00 -2.23 0.00 0.00 60.65 57.09 1sx4 s ILE 249 Cb -0.13 -2.49 0.10 0.00 -1.58 0.00 0.00 42.46 38.37 1sx4 s ILE 249 CO 0.05 -0.03 0.22 -0.63 -1.23 0.00 0.00 174.94 173.31 1sx4 s ILE 250 N 1.20 3.48 0.43 2.92 1.01 0.17 -1.93 121.20 128.47 1sx4 s ILE 250 Ca -0.06 -1.91 0.06 0.00 0.00 0.00 0.00 60.65 58.73 1sx4 s ILE 250 Cb -0.19 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1sx4 s ILE 250 CO -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 174.94 174.29 1sx4 s ALA 251 N 1.21 3.40 0.47 9.38 0.00 -1.24 -1.56 121.76 133.42 1sx4 s ALA 251 Ca 0.06 -1.93 0.21 0.00 0.00 0.00 0.00 51.96 50.30 1sx4 s ALA 251 Cb -0.23 0.07 1.22 0.00 0.00 0.00 0.00 23.12 24.18 1sx4 s ALA 251 CO -0.03 -0.11 1.94 1.49 0.00 0.00 0.00 175.76 179.05 1sx4 h GLU 252 N 1.64 0.22 -1.02 0.00 4.81 -1.41 0.17 114.58 118.99 1sx4 h GLU 252 Ca -0.44 -0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.08 1sx4 h GLU 252 Cb 1.26 -0.05 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 1sx4 h GLU 252 CO 0.78 0.14 0.99 0.34 -0.73 0.00 0.00 179.01 180.53 1sx4 s ASP 253 N -5.99 -0.01 -0.24 1.04 2.15 -1.26 -4.23 116.67 108.13 1sx4 s ASP 253 Ca -0.07 0.00 0.01 0.00 0.43 0.00 0.00 52.55 52.93 1sx4 s ASP 253 Cb 0.21 0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.90 1sx4 s ASP 253 CO 0.76 -0.01 -0.05 -0.69 -0.17 0.00 0.00 175.17 175.00 1sx4 s VAL 254 N -1.53 1.64 0.14 1.11 1.01 -1.26 -0.95 120.40 120.56 1sx4 s VAL 254 Ca 0.11 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 1sx4 s VAL 254 Cb -0.01 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1sx4 s VAL 254 CO -0.05 -0.12 0.19 -0.62 0.00 0.00 0.00 175.10 174.50 1sx4 n GLU 255 N 4.62 0.46 0.00 2.72 1.02 -1.10 -4.74 120.64 123.62 1sx4 n GLU 255 Ca -0.11 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 1sx4 n GLU 255 Cb 0.44 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 1sx4 n GLU 255 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx4 n GLY 256 N 3.51 -2.60 0.40 0.62 0.00 -1.26 -1.38 105.19 104.48 1sx4 n GLY 256 Ca 0.03 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 1sx4 n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sx4 h GLU 257 N 0.00 -0.34 0.95 1.61 4.22 -1.92 0.27 114.58 119.37 1sx4 h GLU 257 Ca 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 1sx4 h GLU 257 Cb 0.00 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1sx4 h GLU 257 CO 0.00 -0.23 -0.46 0.00 -2.18 0.00 0.00 179.01 176.14 1sx4 h ALA 258 N 0.32 -1.33 -0.11 2.92 0.00 -0.89 -3.01 119.26 117.17 1sx4 h ALA 258 Ca 0.12 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 258 Cb 0.59 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1sx4 h ALA 258 CO -0.56 -1.23 -0.52 1.25 0.00 0.00 0.00 179.25 178.19 1sx4 h LEU 259 N -1.30 -1.64 -0.95 0.00 5.85 -0.92 -0.64 115.31 115.72 1sx4 h LEU 259 Ca -0.13 0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1sx4 h LEU 259 Cb 0.98 0.64 -0.14 0.00 0.37 0.00 0.00 40.66 42.51 1sx4 h LEU 259 CO 0.21 -0.47 -0.44 0.00 -0.34 0.00 0.00 178.44 177.41 1sx4 n ALA 260 N -2.98 -0.30 -0.17 1.25 0.00 0.93 0.08 120.51 119.32 1sx4 n ALA 260 Ca -0.06 0.89 -0.08 0.00 0.00 0.00 0.00 53.44 54.19 1sx4 n ALA 260 Cb 0.36 -0.31 0.01 0.00 0.00 0.00 0.00 19.45 19.52 1sx4 n ALA 260 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sx4 h THR 261 N 0.00 1.16 -0.49 0.00 2.02 -1.20 0.59 112.91 115.00 1sx4 h THR 261 Ca 0.26 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 67.12 1sx4 h THR 261 Cb 0.50 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1sx4 h THR 261 CO -0.92 0.17 0.13 -0.07 0.37 0.00 0.00 175.52 175.20 1sx4 h LEU 262 N 0.65 0.07 -0.54 2.58 3.38 0.48 0.18 115.31 122.11 1sx4 h LEU 262 Ca 0.17 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.26 1sx4 h LEU 262 Cb 0.03 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1sx4 h LEU 262 CO -0.03 0.07 0.30 0.58 0.09 0.00 0.00 178.44 179.45 1sx4 h VAL 263 N 0.28 1.01 -0.37 1.22 2.07 0.32 0.06 116.25 120.84 1sx4 h VAL 263 Ca 0.24 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1sx4 h VAL 263 Cb 0.30 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1sx4 h VAL 263 CO -0.29 0.11 0.01 0.58 0.02 0.00 0.00 177.57 178.00 1sx4 h VAL 264 N 0.59 1.20 0.01 2.57 2.07 0.02 -2.38 116.25 120.34 1sx4 h VAL 264 Ca 0.23 -0.81 -0.27 0.00 0.82 0.00 0.00 66.70 66.67 1sx4 h VAL 264 Cb 0.08 0.92 0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1sx4 h VAL 264 CO -0.13 0.28 -1.05 0.78 0.02 0.00 0.00 177.57 177.48 1sx4 h ASN 265 N 0.55 0.90 -0.34 0.57 -0.26 0.05 -3.11 115.58 113.94 1sx4 h ASN 265 Ca 0.12 -0.75 -0.17 0.00 -0.56 0.00 0.00 56.30 54.94 1sx4 h ASN 265 Cb 0.34 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1sx4 h ASN 265 CO 0.01 1.54 -0.45 0.71 -1.06 0.00 0.00 177.43 178.17 1sx4 h THR 266 N 0.37 1.27 0.05 2.81 1.35 -1.04 -2.76 112.91 114.97 1sx4 h THR 266 Ca -0.13 -1.63 0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1sx4 h THR 266 Cb 1.71 1.50 -0.05 0.00 -1.73 0.00 0.00 68.15 69.57 1sx4 h THR 266 CO 0.21 0.54 -0.43 -0.03 -0.25 0.00 0.00 175.52 175.56 1sx4 h MET 267 N 0.72 -0.60 0.00 4.72 -1.53 -1.49 -2.78 114.93 113.97 1sx4 h MET 267 Ca 0.04 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1sx4 h MET 267 Cb 1.06 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 32.24 1sx4 h MET 267 CO 0.11 -0.40 0.00 0.54 0.14 0.00 0.00 176.91 177.30 1sx4 n ARG 268 N -5.46 0.48 -2.14 0.39 1.74 -1.18 -4.79 116.66 105.70 1sx4 n ARG 268 Ca -0.07 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1sx4 n ARG 268 Cb 0.38 -1.13 -0.01 0.00 -1.02 0.00 0.00 32.46 30.68 1sx4 n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sx4 n GLY 269 N -0.03 0.03 0.02 -0.13 0.00 -1.05 -4.98 105.19 99.05 1sx4 n GLY 269 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 1sx4 n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sx4 h ILE 270 N 0.00 0.00 -3.54 -0.61 2.04 -1.67 -3.47 117.51 110.26 1sx4 h ILE 270 Ca -0.22 -0.08 -0.36 0.00 1.00 0.00 0.00 64.86 65.21 1sx4 h ILE 270 Cb 1.14 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.89 1sx4 h ILE 270 CO 0.26 0.00 -0.75 -0.69 0.00 0.00 0.00 178.15 176.96 1sx4 s VAL 271 N -1.51 0.30 -0.34 1.67 1.01 -1.23 -5.02 120.40 115.28 1sx4 s VAL 271 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1sx4 s VAL 271 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1sx4 s VAL 271 CO 0.01 0.16 1.53 -0.54 0.00 0.00 0.00 175.10 176.26 1sx4 s LYS 272 N 0.82 3.61 0.05 2.72 3.01 -1.26 -4.01 119.74 124.68 1sx4 s LYS 272 Ca -0.09 1.25 -0.01 0.00 -1.01 0.00 0.00 55.97 56.11 1sx4 s LYS 272 Cb -0.12 -4.05 -0.04 0.00 -1.01 0.00 0.00 37.83 32.61 1sx4 s LYS 272 CO -0.01 -1.52 -0.03 0.08 0.51 0.00 0.00 175.35 174.38 1sx4 s VAL 273 N 5.59 0.26 0.06 3.17 1.01 -1.26 -0.64 120.40 128.58 1sx4 s VAL 273 Ca 0.67 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1sx4 s VAL 273 Cb -0.19 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1sx4 s VAL 273 CO 0.31 -0.94 0.28 0.00 0.00 0.00 0.00 175.10 174.75 1sx4 s ALA 274 N -3.65 -0.59 -0.01 5.51 0.00 -0.67 -4.88 121.76 117.47 1sx4 s ALA 274 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1sx4 s ALA 274 Cb 0.06 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1sx4 s ALA 274 CO -0.09 -0.45 0.12 0.00 0.00 0.00 0.00 175.76 175.34 1sx4 s ALA 275 N -2.94 -0.28 -0.25 0.00 0.00 -1.26 -0.93 121.76 116.10 1sx4 s ALA 275 Ca -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.70 1sx4 s ALA 275 Cb 0.01 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1sx4 s ALA 275 CO -0.06 -0.16 0.64 0.14 0.00 0.00 0.00 175.76 176.32 1sx4 s VAL 276 N -0.97 -0.00 0.97 0.00 -7.23 -0.81 -1.25 120.40 111.10 1sx4 s VAL 276 Ca -0.11 0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 59.94 1sx4 s VAL 276 Cb -0.06 -0.90 0.09 0.00 0.56 0.00 0.00 36.38 36.07 1sx4 s VAL 276 CO 0.01 0.00 0.62 0.29 -0.31 0.00 0.00 175.10 175.71 1sx4 n LYS 277 N 3.11 -0.57 -2.10 4.82 5.02 -1.26 -3.67 118.16 123.51 1sx4 n LYS 277 Ca -0.16 -0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.69 1sx4 n LYS 277 Cb 0.56 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1sx4 n LYS 277 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sx4 s ALA 278 N -2.45 2.89 0.19 7.82 0.00 0.05 -4.74 121.76 125.50 1sx4 s ALA 278 Ca 0.60 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1sx4 s ALA 278 Cb -0.21 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1sx4 s ALA 278 CO 0.65 -0.64 1.12 -1.25 0.00 0.00 0.00 175.76 175.63 1sx4 s PRO 279 N -4.30 4.58 2.25 0.00 0.04 -1.26 -4.87 135.00 131.44 1sx4 s PRO 279 Ca 0.60 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1sx4 s PRO 279 Cb -0.13 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1sx4 s PRO 279 CO 0.39 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1sx4 n GLY 280 N 2.00 -0.42 0.00 0.56 0.00 -1.26 -4.23 105.19 101.84 1sx4 n GLY 280 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1sx4 n GLY 280 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sx4 n PHE 281 N -1.10 0.00 -0.39 1.61 -1.74 -1.26 -4.82 117.46 109.76 1sx4 n PHE 281 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1sx4 n PHE 281 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1sx4 n PHE 281 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sx4 n GLY 282 N 0.67 3.40 0.12 4.97 0.00 -1.26 -3.26 105.19 109.83 1sx4 n GLY 282 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1sx4 n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sx4 h ASP 283 N 0.77 0.44 0.08 1.61 3.32 -2.00 -3.34 116.42 117.30 1sx4 h ASP 283 Ca 0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 57.03 56.36 1sx4 h ASP 283 Cb 0.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1sx4 h ASP 283 CO 0.00 1.55 -0.13 0.08 -1.72 0.00 0.00 179.24 179.03 1sx4 h ARG 284 N 0.08 0.11 -0.38 3.56 0.11 -1.96 -3.15 114.38 112.75 1sx4 h ARG 284 Ca -0.29 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 59.82 1sx4 h ARG 284 Cb 2.04 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 33.02 1sx4 h ARG 284 CO 0.16 0.25 -0.55 -0.09 0.10 0.00 0.00 179.97 179.83 1sx4 h ARG 285 N 0.11 -0.40 -0.55 0.08 2.43 -1.68 1.30 114.38 115.67 1sx4 h ARG 285 Ca 0.02 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1sx4 h ARG 285 Cb 0.30 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1sx4 h ARG 285 CO 0.02 -0.27 0.32 0.87 -1.51 0.00 0.00 179.97 179.40 1sx4 h LYS 286 N -0.42 0.61 -0.58 0.20 1.57 -1.77 1.01 116.57 117.19 1sx4 h LYS 286 Ca 0.07 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 286 Cb 0.61 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1sx4 h LYS 286 CO -0.58 0.40 0.11 0.00 -0.57 0.00 0.00 179.45 178.81 1sx4 h ALA 287 N 1.26 0.77 -0.03 3.86 0.00 -1.36 -2.04 119.26 121.72 1sx4 h ALA 287 Ca 0.23 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1sx4 h ALA 287 Cb 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sx4 h ALA 287 CO -0.11 0.51 -0.85 1.98 0.00 0.00 0.00 179.25 180.78 1sx4 h MET 288 N 0.86 0.37 -0.33 0.00 4.05 0.24 -2.35 114.93 117.77 1sx4 h MET 288 Ca 0.18 -0.36 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1sx4 h MET 288 Cb 0.39 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1sx4 h MET 288 CO 0.01 1.02 0.11 1.25 0.23 0.00 0.00 176.91 179.53 1sx4 h LEU 289 N 0.22 0.41 -0.95 3.39 6.46 0.10 -2.03 115.31 122.92 1sx4 h LEU 289 Ca -0.05 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1sx4 h LEU 289 Cb 1.46 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.24 1sx4 h LEU 289 CO 0.14 0.40 0.51 -0.61 -0.62 0.00 0.00 178.44 178.26 1sx4 h GLN 290 N 0.46 1.25 -0.28 1.25 5.75 -0.95 -1.52 115.11 121.08 1sx4 h GLN 290 Ca 0.11 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1sx4 h GLN 290 Cb 0.12 -0.25 -0.08 0.00 1.07 0.00 0.00 27.48 28.35 1sx4 h GLN 290 CO -0.01 0.90 -0.29 -0.44 -2.65 0.00 0.00 178.83 176.34 1sx4 h ASP 291 N 1.26 -0.93 -0.99 -0.69 3.32 -0.86 -1.11 116.42 116.41 1sx4 h ASP 291 Ca 0.32 0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.60 1sx4 h ASP 291 Cb -0.00 0.43 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 1sx4 h ASP 291 CO -0.05 -0.31 0.64 0.40 -1.72 0.00 0.00 179.24 178.19 1sx4 h ILE 292 N -0.28 1.08 0.42 0.35 2.04 -1.15 -1.23 117.51 118.74 1sx4 h ILE 292 Ca 0.14 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1sx4 h ILE 292 Cb 0.51 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1sx4 h ILE 292 CO -0.44 0.21 -0.46 0.00 0.00 0.00 0.00 178.15 177.47 1sx4 h ALA 293 N 1.45 -1.00 -0.37 1.87 0.00 -0.53 -2.70 119.26 117.98 1sx4 h ALA 293 Ca 0.43 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1sx4 h ALA 293 Cb 0.18 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1sx4 h ALA 293 CO -0.18 -1.10 -0.13 1.15 0.00 0.00 0.00 179.25 178.99 1sx4 h THR 294 N -0.90 0.55 -0.21 0.00 2.02 -0.59 0.48 112.91 114.27 1sx4 h THR 294 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1sx4 h THR 294 Cb 0.80 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1sx4 h THR 294 CO -0.08 0.00 0.13 0.25 0.37 0.00 0.00 175.52 176.19 1sx4 h LEU 295 N -0.05 0.24 -2.12 2.58 7.12 -1.15 -2.28 115.31 119.65 1sx4 h LEU 295 Ca 0.18 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1sx4 h LEU 295 Cb 0.33 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1sx4 h LEU 295 CO -0.41 0.18 0.00 0.35 -0.13 0.00 0.00 178.44 178.43 1sx4 n THR 296 N -4.50 0.48 -3.46 1.05 -2.24 -0.95 -2.43 114.28 102.23 1sx4 n THR 296 Ca 0.00 -0.74 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1sx4 n THR 296 Cb 0.08 0.87 0.08 0.00 -2.10 0.00 0.00 70.33 69.26 1sx4 n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx4 n GLY 297 N 0.49 -0.37 3.75 3.38 0.00 0.15 -0.87 105.19 111.72 1sx4 n GLY 297 Ca 0.08 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1sx4 n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sx4 s GLY 298 N -4.30 2.85 -0.17 -0.02 0.00 0.01 -4.46 107.32 101.22 1sx4 s GLY 298 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1sx4 s GLY 298 CO 0.74 -2.15 -0.20 -1.59 0.00 0.00 0.00 173.10 169.90 1sx4 s THR 299 N -2.83 2.10 0.24 0.90 2.01 0.33 -4.47 115.64 113.92 1sx4 s THR 299 Ca 0.15 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1sx4 s THR 299 Cb 0.03 -1.87 -0.12 0.00 0.01 0.00 0.00 72.50 70.55 1sx4 s THR 299 CO 0.08 0.54 1.65 0.52 -0.69 0.00 0.00 174.62 176.72 1sx4 n VAL 300 N 4.48 0.42 -3.72 3.82 0.31 -1.26 -4.71 118.33 117.67 1sx4 n VAL 300 Ca -0.21 -0.10 -0.36 0.00 -0.01 0.00 0.00 64.34 63.66 1sx4 n VAL 300 Cb 0.50 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 1sx4 n VAL 300 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sx4 s ILE 301 N 0.65 3.72 0.03 2.52 1.01 -0.67 -4.98 121.20 123.48 1sx4 s ILE 301 Ca 0.71 -3.03 0.06 0.00 0.00 0.00 0.00 60.65 58.39 1sx4 s ILE 301 Cb -0.53 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1sx4 s ILE 301 CO 0.40 -0.89 -0.13 -0.94 0.00 0.00 0.00 174.94 173.38 1sx4 s SER 302 N 0.60 4.17 0.00 3.58 1.04 -1.26 -2.23 113.70 119.60 1sx4 s SER 302 Ca 0.17 -0.31 0.18 0.00 0.48 0.00 0.00 55.95 56.47 1sx4 s SER 302 Cb -0.20 -0.82 1.08 0.00 0.10 0.00 0.00 66.02 66.18 1sx4 s SER 302 CO -0.03 0.26 1.47 -0.62 0.98 0.00 0.00 173.24 175.30 1sx4 n GLU 303 N 1.49 0.57 0.07 4.02 1.02 -1.26 -3.02 120.64 123.52 1sx4 n GLU 303 Ca -0.16 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.77 1sx4 n GLU 303 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 1sx4 n GLU 303 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sx4 h GLU 304 N 0.00 0.56 -0.45 3.49 5.08 -1.90 -2.97 114.58 118.40 1sx4 h GLU 304 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1sx4 h GLU 304 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1sx4 h GLU 304 CO 0.00 1.33 0.00 -0.89 -1.00 0.00 0.00 179.01 178.45 1sx4 n ILE 305 N -3.90 0.29 -2.99 3.13 5.41 -1.17 -4.90 119.36 115.23 1sx4 n ILE 305 Ca -0.13 -0.19 -0.03 0.00 1.00 0.00 0.00 62.75 63.39 1sx4 n ILE 305 Cb 0.92 -0.14 0.01 0.00 -0.71 0.00 0.00 39.64 39.72 1sx4 n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sx4 n GLY 306 N 0.46 -1.15 3.29 7.39 0.00 -1.12 -5.05 105.19 109.01 1sx4 n GLY 306 Ca 0.04 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 1sx4 n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 307 N -3.27 1.16 -0.00 1.61 -1.94 -1.19 -5.02 119.30 110.65 1sx4 s MET 307 Ca 0.09 -1.32 0.06 0.00 -1.71 0.00 0.00 55.69 52.81 1sx4 s MET 307 Cb -0.01 -1.15 -0.02 0.00 2.01 0.00 0.00 34.83 35.66 1sx4 s MET 307 CO 0.70 0.23 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.54 1sx4 s GLU 308 N -2.70 1.50 0.21 2.03 2.02 -1.26 -4.26 118.70 116.25 1sx4 s GLU 308 Ca 0.12 -0.72 -0.09 0.00 0.02 0.00 0.00 54.97 54.31 1sx4 s GLU 308 Cb -0.06 -1.47 0.29 0.00 0.10 0.00 0.00 34.13 32.99 1sx4 s GLU 308 CO 0.05 0.40 1.76 -0.07 0.02 0.00 0.00 175.26 177.42 1sx4 h LEU 309 N 5.53 0.35 -0.80 1.80 3.38 -1.92 -2.45 115.31 121.21 1sx4 h LEU 309 Ca -0.39 0.06 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1sx4 h LEU 309 Cb 1.15 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 1sx4 h LEU 309 CO 0.47 0.21 0.34 -0.33 0.09 0.00 0.00 178.44 179.22 1sx4 h GLU 310 N 0.51 0.45 -3.38 1.13 3.07 -1.87 -2.59 114.58 111.91 1sx4 h GLU 310 Ca 0.32 -0.03 -0.75 0.00 -0.50 0.00 0.00 59.36 58.40 1sx4 h GLU 310 Cb 0.35 -0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 28.02 1sx4 h GLU 310 CO -0.27 0.30 2.29 1.63 -1.40 0.00 0.00 179.01 181.56 1sx4 n LYS 311 N -4.99 3.71 -3.54 2.33 5.02 -0.92 -4.74 118.16 115.02 1sx4 n LYS 311 Ca 0.16 -3.36 -0.20 0.00 -2.02 0.00 0.00 58.31 52.90 1sx4 n LYS 311 Cb 0.46 -2.91 -0.14 0.00 -0.02 0.00 0.00 35.03 32.42 1sx4 n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sx4 s ALA 312 N 0.49 -0.10 0.83 7.82 0.00 -0.98 -4.73 121.76 125.09 1sx4 s ALA 312 Ca 0.44 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1sx4 s ALA 312 Cb 0.12 -1.19 0.09 0.00 0.00 0.00 0.00 23.12 22.14 1sx4 s ALA 312 CO -0.03 -1.11 1.16 0.95 0.00 0.00 0.00 175.76 176.74 1sx4 s THR 313 N 2.28 2.11 0.39 0.00 -4.23 -1.26 -4.57 115.64 110.36 1sx4 s THR 313 Ca 0.05 0.03 0.22 0.00 -1.18 0.00 0.00 61.69 60.81 1sx4 s THR 313 Cb -0.15 -2.97 0.40 0.00 1.34 0.00 0.00 72.50 71.12 1sx4 s THR 313 CO -0.10 -0.05 1.67 -0.07 -0.54 0.00 0.00 174.62 175.53 1sx4 h LEU 314 N -1.14 0.38 -1.12 4.79 3.38 -1.93 -2.24 115.31 117.44 1sx4 h LEU 314 Ca -0.47 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.77 1sx4 h LEU 314 Cb 1.32 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1sx4 h LEU 314 CO 0.65 -0.12 0.61 -0.08 0.09 0.00 0.00 178.44 179.58 1sx4 h GLU 315 N 0.23 0.88 0.00 1.13 4.81 -2.00 -1.21 114.58 118.41 1sx4 h GLU 315 Ca 0.75 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.89 1sx4 h GLU 315 Cb 2.02 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.20 1sx4 h GLU 315 CO -0.48 0.58 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.80 1sx4 h ASP 316 N 0.90 0.00 -3.74 1.04 3.32 -1.77 -3.44 116.42 112.73 1sx4 h ASP 316 Ca 0.47 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 57.00 1sx4 h ASP 316 Cb 0.52 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.12 1sx4 h ASP 316 CO -0.23 0.15 0.63 -0.76 -1.72 0.00 0.00 179.24 177.30 1sx4 s LEU 317 N -8.25 4.44 1.08 1.55 1.02 -0.46 0.12 118.68 118.18 1sx4 s LEU 317 Ca -0.04 2.57 -0.16 0.00 0.02 0.00 0.00 54.13 56.53 1sx4 s LEU 317 Cb 0.15 -3.64 0.23 0.00 0.02 0.00 0.00 46.19 42.95 1sx4 s LEU 317 CO 0.66 -0.49 1.13 -0.83 0.02 0.00 0.00 176.35 176.84 1sx4 s GLY 318 N -0.32 1.59 -0.03 -3.19 0.00 0.06 -4.42 107.32 101.01 1sx4 s GLY 318 Ca 0.50 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 44.29 1sx4 s GLY 318 CO 0.48 0.01 0.42 1.62 0.00 0.00 0.00 173.10 175.63 1sx4 s GLN 319 N -5.30 0.78 0.33 2.90 0.74 -0.05 -0.15 119.66 118.91 1sx4 s GLN 319 Ca 0.68 -0.04 0.03 0.00 0.05 0.00 0.00 55.36 56.08 1sx4 s GLN 319 Cb -0.13 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.32 1sx4 s GLN 319 CO 0.56 -0.22 0.35 0.00 -0.55 0.00 0.00 175.29 175.43 1sx4 s ALA 320 N -1.25 1.36 -0.18 1.58 0.00 -1.13 -1.71 121.76 120.43 1sx4 s ALA 320 Ca -0.13 -1.82 0.19 0.00 0.00 0.00 0.00 51.96 50.21 1sx4 s ALA 320 Cb -0.04 1.34 -0.06 0.00 0.00 0.00 0.00 23.12 24.36 1sx4 s ALA 320 CO 0.06 -0.71 0.97 0.87 0.00 0.00 0.00 175.76 176.95 1sx4 h LYS 321 N 2.15 0.00 -1.59 0.00 1.57 -1.32 -3.20 116.57 114.18 1sx4 h LYS 321 Ca -0.27 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1sx4 h LYS 321 Cb 1.24 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 1sx4 h LYS 321 CO 0.38 0.18 0.49 1.03 -0.57 0.00 0.00 179.45 180.96 1sx4 s ARG 322 N -3.10 0.56 0.04 3.15 0.52 -1.20 -1.11 118.95 117.81 1sx4 s ARG 322 Ca -0.01 0.40 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 1sx4 s ARG 322 Cb 0.09 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 1sx4 s ARG 322 CO 0.79 -0.12 -0.12 0.14 0.02 0.00 0.00 175.30 176.02 1sx4 s VAL 323 N -0.37 0.90 -0.12 3.52 -7.23 -0.01 -0.67 120.40 116.41 1sx4 s VAL 323 Ca 0.01 -1.04 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1sx4 s VAL 323 Cb -0.03 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 36.09 1sx4 s VAL 323 CO -0.02 -0.15 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.92 1sx4 s VAL 324 N -1.04 0.56 -0.07 1.32 1.01 -0.21 -2.09 120.40 119.87 1sx4 s VAL 324 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1sx4 s VAL 324 Cb -0.08 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1sx4 s VAL 324 CO 0.01 0.13 -0.12 0.27 0.00 0.00 0.00 175.10 175.39 1sx4 s ILE 325 N 1.88 1.14 0.00 2.22 -4.36 -0.13 -0.82 121.20 121.14 1sx4 s ILE 325 Ca 0.03 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.94 1sx4 s ILE 325 Cb -0.14 -1.05 0.00 0.00 1.25 0.00 0.00 42.46 42.52 1sx4 s ILE 325 CO -0.07 0.36 0.00 0.59 0.24 0.00 0.00 174.94 176.06 1sx4 n ASN 326 N 3.86 0.28 -0.04 4.36 3.02 0.36 -0.30 115.26 126.80 1sx4 n ASN 326 Ca -0.22 -0.50 0.10 0.00 -0.03 0.00 0.00 54.58 53.92 1sx4 n ASN 326 Cb 0.52 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 40.18 1sx4 n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sx4 h LYS 327 N 0.00 0.40 -0.03 3.52 3.64 -1.92 -2.97 116.57 119.22 1sx4 h LYS 327 Ca 0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1sx4 h LYS 327 Cb 0.00 -0.09 -0.28 0.00 -0.41 0.00 0.00 32.23 31.45 1sx4 h LYS 327 CO 0.00 0.27 -0.71 -0.40 -2.27 0.00 0.00 179.45 176.33 1sx4 n ASP 328 N -4.47 0.13 -3.33 4.20 5.68 -1.26 -3.73 116.55 113.76 1sx4 n ASP 328 Ca 0.07 -2.01 -0.09 0.00 -0.50 0.00 0.00 54.79 52.26 1sx4 n ASP 328 Cb 0.28 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.16 1sx4 n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sx4 s THR 329 N -0.22 -0.61 0.18 2.12 2.01 -1.05 -2.78 115.64 115.29 1sx4 s THR 329 Ca 0.19 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1sx4 s THR 329 Cb 0.24 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.77 1sx4 s THR 329 CO -0.09 -0.21 0.61 -0.89 -0.69 0.00 0.00 174.62 173.35 1sx4 s THR 330 N 2.54 4.75 -0.13 -0.82 2.01 0.98 -0.49 115.64 124.47 1sx4 s THR 330 Ca 0.11 0.99 -0.06 0.00 0.31 0.00 0.00 61.69 63.04 1sx4 s THR 330 Cb -0.14 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.65 1sx4 s THR 330 CO -0.23 0.22 0.29 0.28 -0.69 0.00 0.00 174.62 174.50 1sx4 s THR 331 N -1.49 -0.16 -0.23 -0.82 -1.32 0.00 -1.22 115.64 110.41 1sx4 s THR 331 Ca 0.40 0.17 -0.11 0.00 -1.21 0.00 0.00 61.69 60.94 1sx4 s THR 331 Cb -0.15 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 1sx4 s THR 331 CO 0.20 0.07 0.17 -0.63 -2.21 0.00 0.00 174.62 172.22 1sx4 s ILE 332 N 1.64 5.36 -0.28 5.08 1.01 -0.92 -1.04 121.20 132.05 1sx4 s ILE 332 Ca -0.06 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1sx4 s ILE 332 Cb -0.10 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1sx4 s ILE 332 CO -0.10 0.37 0.15 -0.63 0.00 0.00 0.00 174.94 174.72 1sx4 s ILE 333 N 0.88 4.82 -0.32 2.92 1.01 0.15 -4.08 121.20 126.59 1sx4 s ILE 333 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1sx4 s ILE 333 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1sx4 s ILE 333 CO 0.03 0.22 0.05 -0.67 0.00 0.00 0.00 174.94 174.57 1sx4 n ASP 334 N 5.00 -8.05 -4.86 3.58 2.03 -1.26 -2.96 116.55 110.03 1sx4 n ASP 334 Ca -0.15 1.37 -0.31 0.00 0.52 0.00 0.00 54.79 56.22 1sx4 n ASP 334 Cb 0.51 -5.35 -0.04 0.00 -0.72 0.00 0.00 41.12 35.53 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sx4 s GLY 335 N -1.72 2.03 0.48 0.27 0.00 -1.26 -2.13 107.32 104.99 1sx4 s GLY 335 Ca 0.02 -0.02 0.27 0.00 0.00 0.00 0.00 44.72 45.00 1sx4 s GLY 335 CO 0.78 0.21 1.88 -2.08 0.00 0.00 0.00 173.10 173.89 1sx4 h VAL 336 N 1.12 0.35 -1.47 1.40 2.07 -1.34 -3.46 116.25 114.92 1sx4 h VAL 336 Ca -0.47 -0.90 -0.74 0.00 0.82 0.00 0.00 66.70 65.40 1sx4 h VAL 336 Cb 1.18 1.68 0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1sx4 h VAL 336 CO 0.63 0.14 0.69 0.61 0.02 0.00 0.00 177.57 179.66 1sx4 n GLY 337 N 0.13 0.58 3.77 2.17 0.00 -1.02 -4.84 105.19 105.98 1sx4 n GLY 337 Ca 0.00 0.86 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 1sx4 n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sx4 s GLU 338 N 2.36 4.12 0.01 1.61 2.02 -1.26 -4.81 118.70 122.75 1sx4 s GLU 338 Ca 0.95 2.29 0.08 0.00 0.02 0.00 0.00 54.97 58.31 1sx4 s GLU 338 Cb -1.11 -2.91 0.35 0.00 0.10 0.00 0.00 34.13 30.56 1sx4 s GLU 338 CO 0.62 -0.41 1.25 0.39 0.02 0.00 0.00 175.26 177.13 1sx4 n GLU 339 N 0.42 0.01 0.09 1.61 1.02 -1.26 -1.10 120.64 121.44 1sx4 n GLU 339 Ca 0.02 0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 1sx4 n GLU 339 Cb 0.42 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1sx4 n GLU 339 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 340 N 2.24 -0.17 -0.01 0.62 0.00 -1.99 -0.27 119.26 119.69 1sx4 h ALA 340 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 340 Cb 0.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sx4 h ALA 340 CO 0.00 -0.55 -0.92 0.00 0.00 0.00 0.00 179.25 177.78 1sx4 h ALA 341 N 0.59 0.38 0.66 0.00 0.00 -1.48 -2.78 119.26 116.63 1sx4 h ALA 341 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1sx4 h ALA 341 Cb 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sx4 h ALA 341 CO 0.03 0.81 -0.32 0.82 0.00 0.00 0.00 179.25 180.59 1sx4 h ILE 342 N 0.24 0.35 -0.81 0.00 2.04 -1.33 -1.85 117.51 116.15 1sx4 h ILE 342 Ca -0.07 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.86 1sx4 h ILE 342 Cb 1.55 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1sx4 h ILE 342 CO 0.16 0.00 0.53 -0.61 0.00 0.00 0.00 178.15 178.23 1sx4 h GLN 343 N -0.91 0.71 0.46 2.37 5.75 -1.14 -1.71 115.11 120.64 1sx4 h GLN 343 Ca -0.09 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1sx4 h GLN 343 Cb 0.69 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1sx4 h GLN 343 CO 0.15 0.47 -0.22 0.78 -2.65 0.00 0.00 178.83 177.36 1sx4 h GLY 344 N 0.73 -0.64 1.54 2.39 0.00 -1.37 -0.74 103.07 104.98 1sx4 h GLY 344 Ca 0.37 0.24 0.07 0.00 0.00 0.00 0.00 47.33 48.01 1sx4 h GLY 344 CO -0.15 -0.23 0.17 -0.09 0.00 0.00 0.00 176.54 176.24 1sx4 h ARG 345 N -0.88 0.00 -0.12 4.80 9.65 -1.12 0.77 114.38 127.49 1sx4 h ARG 345 Ca -0.06 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.63 1sx4 h ARG 345 Cb 0.58 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1sx4 h ARG 345 CO 0.10 0.00 -0.69 0.28 2.80 0.00 0.00 179.97 182.46 1sx4 h VAL 346 N 0.00 1.35 0.00 0.20 2.07 -1.24 -2.76 116.25 115.87 1sx4 h VAL 346 Ca 0.11 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1sx4 h VAL 346 Cb 0.44 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1sx4 h VAL 346 CO -0.00 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1sx4 n ALA 347 N -2.53 1.74 -0.09 1.67 0.00 0.20 -1.54 120.51 119.96 1sx4 n ALA 347 Ca -0.04 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1sx4 n ALA 347 Cb 0.69 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 1sx4 n ALA 347 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sx4 h GLN 348 N 0.00 0.00 0.00 0.00 4.20 -1.25 -3.35 115.11 114.71 1sx4 h GLN 348 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sx4 h GLN 348 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1sx4 h GLN 348 CO 0.00 0.96 0.00 -0.89 -0.67 0.00 0.00 178.83 178.23 1sx4 n ILE 349 N -4.52 0.67 -0.08 2.54 5.41 -1.05 -2.00 119.36 120.32 1sx4 n ILE 349 Ca -0.21 0.17 -0.10 0.00 1.00 0.00 0.00 62.75 63.61 1sx4 n ILE 349 Cb 0.57 -0.89 -0.03 0.00 -0.71 0.00 0.00 39.64 38.59 1sx4 n ILE 349 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1sx4 h ARG 350 N 0.00 0.39 -0.01 0.38 9.65 -1.41 -3.23 114.38 120.15 1sx4 h ARG 350 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1sx4 h ARG 350 Cb 0.21 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1sx4 h ARG 350 CO 0.00 0.36 -0.35 1.04 2.80 0.00 0.00 179.97 183.82 1sx4 n GLN 351 N -4.82 0.67 -0.30 0.20 6.02 -0.85 -3.80 117.38 114.51 1sx4 n GLN 351 Ca -0.02 -0.41 -0.05 0.00 -0.01 0.00 0.00 57.00 56.50 1sx4 n GLN 351 Cb 0.09 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 29.92 1sx4 n GLN 351 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1sx4 h GLN 352 N 1.01 1.17 -0.14 -1.09 1.08 -1.52 -2.60 115.11 113.02 1sx4 h GLN 352 Ca 0.00 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 56.84 1sx4 h GLN 352 Cb 0.52 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1sx4 h GLN 352 CO 0.00 0.92 -0.65 0.82 -0.95 0.00 0.00 178.83 178.97 1sx4 h ILE 353 N 1.15 1.34 -0.99 2.54 2.04 -1.66 -1.07 117.51 120.86 1sx4 h ILE 353 Ca 0.28 -1.94 0.01 0.00 1.00 0.00 0.00 64.86 64.20 1sx4 h ILE 353 Cb 0.14 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1sx4 h ILE 353 CO -0.03 0.60 0.65 -0.33 0.00 0.00 0.00 178.15 179.04 1sx4 h GLU 354 N 0.39 1.29 -0.49 2.37 4.39 -1.61 -2.81 114.58 118.11 1sx4 h GLU 354 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sx4 h GLU 354 Cb 1.21 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1sx4 h GLU 354 CO 0.12 0.85 0.00 0.39 -1.16 0.00 0.00 179.01 179.21 1sx4 n GLU 355 N -4.41 3.07 -2.18 2.33 1.02 -1.00 -4.87 120.64 114.61 1sx4 n GLU 355 Ca 0.12 -2.49 -0.35 0.00 -0.02 0.00 0.00 57.16 54.42 1sx4 n GLU 355 Cb 0.02 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.84 1sx4 n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 s ALA 356 N -1.46 2.13 -2.00 0.62 0.00 -0.41 -4.83 121.76 115.82 1sx4 s ALA 356 Ca 0.38 -1.26 0.13 0.00 0.00 0.00 0.00 51.96 51.21 1sx4 s ALA 356 Cb 0.23 -4.42 0.79 0.00 0.00 0.00 0.00 23.12 19.72 1sx4 s ALA 356 CO 0.21 -4.12 1.30 0.25 0.00 0.00 0.00 175.76 173.40 1sx4 n THR 357 N 7.30 0.00 -4.72 0.00 -2.24 -1.26 -4.80 114.28 108.56 1sx4 n THR 357 Ca 0.27 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.73 1sx4 n THR 357 Cb 0.50 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 1sx4 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sx4 s SER 358 N -1.71 4.04 -0.21 3.42 0.15 -1.26 -5.09 113.70 113.05 1sx4 s SER 358 Ca 0.20 -1.58 0.02 0.00 0.70 0.00 0.00 55.95 55.29 1sx4 s SER 358 Cb 0.09 0.28 -0.20 0.00 -1.71 0.00 0.00 66.02 64.47 1sx4 s SER 358 CO 0.15 -0.75 -0.01 0.47 1.20 0.00 0.00 173.24 174.31 1sx4 n ASP 359 N -1.18 1.72 0.09 5.45 8.00 -1.26 -4.29 116.55 125.07 1sx4 n ASP 359 Ca -0.15 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.25 1sx4 n ASP 359 Cb 0.67 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 1sx4 n ASP 359 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1sx4 h TYR 360 N 0.02 0.27 0.00 1.24 3.20 -1.98 -3.20 116.97 116.52 1sx4 h TYR 360 Ca -0.52 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.19 1sx4 h TYR 360 Cb 1.98 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1sx4 h TYR 360 CO 0.04 0.98 0.00 -0.25 -1.64 0.00 0.00 178.16 177.29 1sx4 n ASP 361 N -3.63 0.00 -0.10 -2.11 9.92 -1.26 -3.35 116.55 116.02 1sx4 n ASP 361 Ca -0.03 -0.52 -0.14 0.00 -0.53 0.00 0.00 54.79 53.57 1sx4 n ASP 361 Cb 0.82 -0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 41.20 1sx4 n ASP 361 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1sx4 n ARG 362 N -1.01 0.48 0.17 -1.24 0.63 -1.21 -4.37 116.66 110.11 1sx4 n ARG 362 Ca 0.13 0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 57.03 1sx4 n ARG 362 Cb 0.06 -1.38 -0.07 0.00 0.45 0.00 0.00 32.46 31.53 1sx4 n ARG 362 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sx4 h GLU 363 N -0.05 -0.60 -0.76 -0.14 4.39 -1.55 -2.65 114.58 113.22 1sx4 h GLU 363 Ca -0.44 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.33 1sx4 h GLU 363 Cb 1.66 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 30.40 1sx4 h GLU 363 CO -0.08 -0.40 0.49 0.87 -1.16 0.00 0.00 179.01 178.72 1sx4 h LYS 364 N -0.63 0.93 -0.25 2.33 1.79 -1.83 -1.61 116.57 117.30 1sx4 h LYS 364 Ca 0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1sx4 h LYS 364 Cb 0.61 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1sx4 h LYS 364 CO -0.12 0.61 0.11 -0.07 -1.08 0.00 0.00 179.45 178.90 1sx4 h LEU 365 N 0.95 0.34 -1.43 2.94 3.38 -1.75 -1.30 115.31 118.45 1sx4 h LEU 365 Ca 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1sx4 h LEU 365 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sx4 h LEU 365 CO -0.10 0.39 0.17 1.56 0.09 0.00 0.00 178.44 180.55 1sx4 h GLN 366 N 0.27 0.56 0.84 1.13 4.20 -1.26 -0.35 115.11 120.50 1sx4 h GLN 366 Ca 0.09 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1sx4 h GLN 366 Cb 0.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1sx4 h GLN 366 CO -0.01 0.45 -0.48 0.93 -0.67 0.00 0.00 178.83 179.05 1sx4 h GLU 367 N 0.56 -1.18 -0.78 1.46 5.08 -0.92 -2.72 114.58 116.07 1sx4 h GLU 367 Ca 0.14 0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.71 1sx4 h GLU 367 Cb 0.09 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 1sx4 h GLU 367 CO -0.02 -0.79 0.38 0.00 -1.00 0.00 0.00 179.01 177.58 1sx4 h ARG 368 N -1.23 0.55 -0.97 2.33 3.08 -0.92 0.95 114.38 118.18 1sx4 h ARG 368 Ca -0.11 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.02 1sx4 h ARG 368 Cb 0.97 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 1sx4 h ARG 368 CO 0.14 0.37 0.62 -0.39 -1.07 0.00 0.00 179.97 179.63 1sx4 h VAL 369 N 0.57 0.91 -0.15 2.04 -1.51 -1.01 -1.45 116.25 115.65 1sx4 h VAL 369 Ca 0.42 -0.32 -0.21 0.00 -1.23 0.00 0.00 66.70 65.36 1sx4 h VAL 369 Cb 0.56 -0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1sx4 h VAL 369 CO -0.35 0.17 -0.74 0.00 -1.23 0.00 0.00 177.57 175.43 1sx4 h ALA 370 N 1.55 0.41 0.00 5.19 0.00 -0.53 0.37 119.26 126.25 1sx4 h ALA 370 Ca 0.48 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 370 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sx4 h ALA 370 CO -0.24 0.70 -0.09 0.87 0.00 0.00 0.00 179.25 180.49 1sx4 h LYS 371 N 0.49 0.00 0.00 0.00 1.57 -0.54 -2.80 116.57 115.30 1sx4 h LYS 371 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1sx4 h LYS 371 Cb 1.35 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 1sx4 h LYS 371 CO 0.15 0.09 -2.33 1.28 -0.57 0.00 0.00 179.45 178.06 1sx4 n LEU 372 N -3.30 0.15 0.00 2.94 4.77 -0.62 -3.60 117.00 117.34 1sx4 n LEU 372 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sx4 n LEU 372 Cb 0.29 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1sx4 n LEU 372 CO 0.29 0.50 0.00 0.00 -1.33 0.00 0.00 177.39 176.85 1sx4 n ALA 373 N -2.74 0.13 -1.55 -1.18 0.00 0.13 -5.02 120.51 110.27 1sx4 n ALA 373 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1sx4 n ALA 373 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.57 1sx4 n ALA 373 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 374 N 2.85 0.66 3.29 0.00 0.00 -1.06 -4.96 105.19 105.96 1sx4 n GLY 374 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1sx4 n GLY 374 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sx4 s GLY 375 N 0.00 1.42 -0.11 -0.02 0.00 -1.20 -4.15 107.32 103.26 1sx4 s GLY 375 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 1sx4 s GLY 375 CO 0.00 -1.59 -0.08 0.14 0.00 0.00 0.00 173.10 171.57 1sx4 s VAL 376 N -3.57 3.56 -0.00 1.40 1.01 -1.23 -3.65 120.40 117.92 1sx4 s VAL 376 Ca 0.27 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1sx4 s VAL 376 Cb 0.06 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1sx4 s VAL 376 CO 0.07 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.51 1sx4 s ALA 377 N -0.13 1.72 -0.08 5.51 0.00 -0.60 -1.21 121.76 126.98 1sx4 s ALA 377 Ca 0.01 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1sx4 s ALA 377 Cb -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1sx4 s ALA 377 CO 0.03 0.41 -0.21 0.08 0.00 0.00 0.00 175.76 176.07 1sx4 s VAL 378 N -0.55 1.82 -0.13 0.00 1.01 -0.26 -1.70 120.40 120.60 1sx4 s VAL 378 Ca 0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1sx4 s VAL 378 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1sx4 s VAL 378 CO -0.00 0.51 0.10 -0.63 0.00 0.00 0.00 175.10 175.07 1sx4 s ILE 379 N 0.29 5.14 -0.23 2.22 1.01 0.93 -1.31 121.20 129.26 1sx4 s ILE 379 Ca -0.14 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1sx4 s ILE 379 Cb -0.16 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1sx4 s ILE 379 CO 0.06 0.57 -0.04 -0.54 0.00 0.00 0.00 174.94 174.99 1sx4 s LYS 380 N -0.59 3.27 -0.04 2.79 1.02 0.12 -1.49 119.74 124.81 1sx4 s LYS 380 Ca 0.12 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.14 1sx4 s LYS 380 Cb -0.12 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1sx4 s LYS 380 CO 0.02 -0.24 0.84 0.08 -0.92 0.00 0.00 175.35 175.12 1sx4 s VAL 381 N 1.45 4.96 0.04 3.17 1.01 -1.14 -1.32 120.40 128.56 1sx4 s VAL 381 Ca 0.05 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 1sx4 s VAL 381 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1sx4 s VAL 381 CO -0.03 0.20 0.29 -0.83 0.00 0.00 0.00 175.10 174.72 1sx4 s GLY 382 N 0.91 2.25 -0.07 4.51 0.00 -1.26 -1.45 107.32 112.21 1sx4 s GLY 382 Ca 0.44 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 1sx4 s GLY 382 CO 0.22 -0.42 0.67 0.00 0.00 0.00 0.00 173.10 173.58 1sx4 s ALA 383 N -1.37 -1.74 0.09 3.20 0.00 -1.20 -4.79 121.76 115.95 1sx4 s ALA 383 Ca 0.30 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 1sx4 s ALA 383 Cb -0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 1sx4 s ALA 383 CO 0.18 -0.36 1.46 0.00 0.00 0.00 0.00 175.76 177.04 1sx4 h ALA 384 N 3.27 0.41 -5.38 0.00 0.00 -1.87 -3.42 119.26 112.26 1sx4 h ALA 384 Ca -0.27 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 1sx4 h ALA 384 Cb 1.14 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1sx4 h ALA 384 CO 0.35 0.29 -0.31 0.25 0.00 0.00 0.00 179.25 179.83 1sx4 n THR 385 N -4.42 0.00 -0.01 0.00 -2.24 -1.26 -5.06 114.28 101.28 1sx4 n THR 385 Ca -0.03 -2.01 -0.15 0.00 -2.27 0.00 0.00 64.05 59.59 1sx4 n THR 385 Cb 0.36 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.56 1sx4 n THR 385 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sx4 n GLU 386 N -1.45 0.69 -0.02 -0.78 2.13 -1.26 -2.73 120.64 117.22 1sx4 n GLU 386 Ca -0.08 0.28 0.17 0.00 0.66 0.00 0.00 57.16 58.18 1sx4 n GLU 386 Cb 0.56 -1.75 0.61 0.00 0.27 0.00 0.00 31.44 31.14 1sx4 n GLU 386 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1sx4 h VAL 387 N 0.04 0.80 0.11 6.31 -1.51 -1.98 -2.76 116.25 117.26 1sx4 h VAL 387 Ca -0.36 -0.05 -0.24 0.00 -1.23 0.00 0.00 66.70 64.82 1sx4 h VAL 387 Cb 2.03 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1sx4 h VAL 387 CO 0.08 0.03 -1.16 -0.08 -1.23 0.00 0.00 177.57 175.21 1sx4 h GLU 388 N 0.16 0.24 0.06 5.19 4.81 -1.97 -3.32 114.58 119.75 1sx4 h GLU 388 Ca 0.25 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1sx4 h GLU 388 Cb 0.80 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1sx4 h GLU 388 CO -0.04 1.19 -0.24 1.98 -0.73 0.00 0.00 179.01 181.18 1sx4 h MET 389 N -0.39 -0.39 -0.20 1.92 4.05 -1.45 0.19 114.93 118.66 1sx4 h MET 389 Ca -0.24 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.25 1sx4 h MET 389 Cb 1.67 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 32.49 1sx4 h MET 389 CO 0.07 -0.26 -0.44 0.87 0.23 0.00 0.00 176.91 177.37 1sx4 h LYS 390 N -0.41 -0.45 0.25 0.39 1.57 -1.67 0.33 116.57 116.59 1sx4 h LYS 390 Ca 0.04 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1sx4 h LYS 390 Cb 0.46 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1sx4 h LYS 390 CO -0.17 -0.30 -0.12 1.49 -0.57 0.00 0.00 179.45 179.78 1sx4 h GLU 391 N -0.46 -0.33 -0.61 3.15 4.57 -1.63 -2.34 114.58 116.93 1sx4 h GLU 391 Ca 0.08 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1sx4 h GLU 391 Cb 0.62 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.23 1sx4 h GLU 391 CO -0.45 -0.12 0.30 -0.22 -1.18 0.00 0.00 179.01 177.34 1sx4 h LYS 392 N -0.47 0.54 0.29 1.92 1.63 -0.76 -1.57 116.57 118.15 1sx4 h LYS 392 Ca -0.03 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1sx4 h LYS 392 Cb 0.35 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1sx4 h LYS 392 CO 0.06 0.36 -0.25 -0.22 -3.45 0.00 0.00 179.45 175.95 1sx4 h LYS 393 N 0.56 -0.54 -0.72 1.90 3.64 -0.35 -2.15 116.57 118.92 1sx4 h LYS 393 Ca 0.28 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.86 1sx4 h LYS 393 Cb 0.23 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.05 1sx4 h LYS 393 CO -0.21 -0.36 0.05 0.00 -2.27 0.00 0.00 179.45 176.66 1sx4 h ALA 394 N 0.08 0.79 0.18 5.00 0.00 -1.21 0.41 119.26 124.51 1sx4 h ALA 394 Ca -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sx4 h ALA 394 Cb 0.50 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 394 CO -0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 179.25 178.73 1sx4 h ARG 395 N 0.14 -0.23 -0.73 0.00 3.08 -0.96 0.16 114.38 115.84 1sx4 h ARG 395 Ca 0.40 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.62 1sx4 h ARG 395 Cb 0.69 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.68 1sx4 h ARG 395 CO -0.60 -0.07 0.18 0.28 -1.07 0.00 0.00 179.97 178.69 1sx4 h VAL 396 N -0.34 0.53 0.29 2.04 2.07 -0.73 0.28 116.25 120.39 1sx4 h VAL 396 Ca -0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1sx4 h VAL 396 Cb 0.27 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 396 CO 0.04 0.05 -0.43 -0.33 0.02 0.00 0.00 177.57 176.92 1sx4 h GLU 397 N 0.28 -0.75 -0.99 1.57 4.39 -0.76 0.24 114.58 118.56 1sx4 h GLU 397 Ca 0.41 0.05 0.22 0.00 0.34 0.00 0.00 59.36 60.38 1sx4 h GLU 397 Cb 0.69 0.17 -0.19 0.00 -0.10 0.00 0.00 28.75 29.33 1sx4 h GLU 397 CO -0.50 -0.50 -0.16 -3.47 -1.16 0.00 0.00 179.01 173.22 1sx4 n ASP 398 N -5.49 -0.28 0.13 1.42 2.03 0.54 -1.74 116.55 113.15 1sx4 n ASP 398 Ca -0.09 1.69 -0.22 0.00 0.52 0.00 0.00 54.79 56.69 1sx4 n ASP 398 Cb 0.40 -0.54 -0.15 0.00 -0.72 0.00 0.00 41.12 40.10 1sx4 n ASP 398 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sx4 h ALA 399 N 1.97 -0.08 -0.93 -1.67 0.00 -0.15 -2.70 119.26 115.71 1sx4 h ALA 399 Ca 0.51 -0.88 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 399 Cb 0.88 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 399 CO -0.99 0.79 0.42 1.25 0.00 0.00 0.00 179.25 180.72 1sx4 h LEU 400 N 0.13 0.35 -0.07 0.00 7.12 0.11 0.17 115.31 123.13 1sx4 h LEU 400 Ca -0.23 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1sx4 h LEU 400 Cb 2.12 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 42.39 1sx4 h LEU 400 CO 0.25 -0.03 0.00 0.45 -0.13 0.00 0.00 178.44 178.98 1sx4 h HIS 401 N 0.38 0.12 -0.49 1.25 3.86 -1.27 -2.90 115.15 116.11 1sx4 h HIS 401 Ca 0.60 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.77 1sx4 h HIS 401 Cb 1.19 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 1sx4 h HIS 401 CO -0.12 0.37 0.22 0.00 0.86 0.00 0.00 177.93 179.26 1sx4 h ALA 402 N 0.74 0.63 -0.24 2.45 0.00 -0.68 -2.01 119.26 120.15 1sx4 h ALA 402 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 402 Cb 0.32 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1sx4 h ALA 402 CO 0.00 0.22 -0.01 1.79 0.00 0.00 0.00 179.25 181.25 1sx4 h THR 403 N 0.65 0.82 -0.07 0.00 1.35 -1.24 0.57 112.91 114.99 1sx4 h THR 403 Ca 0.17 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 66.02 1sx4 h THR 403 Cb 0.15 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1sx4 h THR 403 CO -0.02 0.01 0.36 0.03 -0.25 0.00 0.00 175.52 175.65 1sx4 h ARG 404 N 0.06 0.00 0.11 4.72 2.47 -1.18 -0.48 114.38 120.08 1sx4 h ARG 404 Ca 0.12 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.48 1sx4 h ARG 404 Cb 0.15 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1sx4 h ARG 404 CO -0.20 0.00 -1.96 0.00 0.56 0.00 0.00 179.97 178.37 1sx4 n ALA 405 N -1.96 0.90 -0.21 0.04 0.00 0.16 -3.32 120.51 116.12 1sx4 n ALA 405 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1sx4 n ALA 405 Cb 0.43 -0.63 0.11 0.00 0.00 0.00 0.00 19.45 19.36 1sx4 n ALA 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 h ALA 406 N 0.00 0.81 -0.28 0.00 0.00 0.12 -0.39 119.26 119.52 1sx4 h ALA 406 Ca -0.43 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1sx4 h ALA 406 Cb 1.95 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1sx4 h ALA 406 CO 0.05 -0.18 -0.33 0.28 0.00 0.00 0.00 179.25 179.07 1sx4 h VAL 407 N 0.43 1.29 0.00 0.00 2.07 -1.31 0.90 116.25 119.62 1sx4 h VAL 407 Ca 0.31 -1.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1sx4 h VAL 407 Cb 0.38 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1sx4 h VAL 407 CO -0.31 0.46 -1.11 1.05 0.02 0.00 0.00 177.57 177.68 1sx4 h GLU 408 N 0.51 0.00 0.00 1.57 4.11 -1.52 -3.43 114.58 115.82 1sx4 h GLU 408 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1sx4 h GLU 408 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1sx4 h GLU 408 CO 0.07 0.21 0.00 -1.91 0.07 0.00 0.00 179.01 177.45 1sx4 n GLU 409 N -2.88 3.02 0.00 1.06 2.13 -0.17 -5.08 120.64 118.72 1sx4 n GLU 409 Ca -0.05 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1sx4 n GLU 409 Cb 0.73 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 32.07 1sx4 n GLU 409 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sx4 n GLY 410 N 0.45 -2.38 3.16 8.31 0.00 0.31 -4.50 105.19 110.53 1sx4 n GLY 410 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1sx4 n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sx4 s VAL 411 N -0.28 0.77 0.29 1.61 -7.23 -0.67 0.26 120.40 115.15 1sx4 s VAL 411 Ca 0.00 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1sx4 s VAL 411 Cb 0.00 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 1sx4 s VAL 411 CO 0.00 -0.71 0.35 0.68 -0.31 0.00 0.00 175.10 175.11 1sx4 s VAL 412 N -2.97 0.00 -0.17 1.32 -7.23 -0.93 -2.43 120.40 108.00 1sx4 s VAL 412 Ca 0.07 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1sx4 s VAL 412 Cb 0.01 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 1sx4 s VAL 412 CO -0.02 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.77 1sx4 s ALA 413 N -3.57 3.54 1.00 1.32 0.00 -1.26 -1.72 121.76 121.07 1sx4 s ALA 413 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1sx4 s ALA 413 Cb 0.02 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1sx4 s ALA 413 CO 0.18 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1sx4 n GLY 414 N 3.24 -1.99 2.32 0.00 0.00 -0.76 -1.18 105.19 106.81 1sx4 n GLY 414 Ca 0.10 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1sx4 n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 415 N 3.30 0.78 2.21 -0.02 0.00 -1.26 -1.21 105.19 108.99 1sx4 n GLY 415 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1sx4 n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 416 N -1.69 0.60 0.06 -0.02 0.00 -1.26 -4.20 105.19 98.68 1sx4 n GLY 416 Ca -0.06 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1sx4 n GLY 416 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1sx4 h VAL 417 N 0.00 1.50 -0.60 1.61 3.04 -1.08 -2.69 116.25 118.03 1sx4 h VAL 417 Ca -0.19 -1.49 0.12 0.00 -1.01 0.00 0.00 66.70 64.14 1sx4 h VAL 417 Cb 0.81 2.49 -0.12 0.00 -2.01 0.00 0.00 31.29 32.47 1sx4 h VAL 417 CO 0.25 0.39 -0.18 0.00 -1.01 0.00 0.00 177.57 177.02 1sx4 h ALA 418 N 0.38 0.34 -0.71 3.17 0.00 -1.38 0.14 119.26 121.20 1sx4 h ALA 418 Ca -0.00 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1sx4 h ALA 418 Cb 0.65 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 418 CO 0.00 -0.46 0.30 -0.07 0.00 0.00 0.00 179.25 179.02 1sx4 h LEU 419 N -0.03 0.97 -1.77 0.00 4.07 -1.84 0.15 115.31 116.86 1sx4 h LEU 419 Ca 0.29 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1sx4 h LEU 419 Cb 0.47 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1sx4 h LEU 419 CO -0.63 0.87 -0.05 -0.29 -1.08 0.00 0.00 178.44 177.25 1sx4 h ILE 420 N 1.01 1.07 0.01 1.22 2.10 -0.45 -1.93 117.51 120.54 1sx4 h ILE 420 Ca 0.24 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.87 1sx4 h ILE 420 Cb 0.19 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1sx4 h ILE 420 CO -0.02 0.10 -0.00 0.03 -1.08 0.00 0.00 178.15 177.17 1sx4 h ARG 421 N 0.08 -0.01 0.00 2.19 2.47 0.27 -3.09 114.38 116.29 1sx4 h ARG 421 Ca 0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1sx4 h ARG 421 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1sx4 h ARG 421 CO 0.01 0.67 -0.06 -0.39 0.56 0.00 0.00 179.97 180.76 1sx4 h VAL 422 N -0.70 0.94 -0.62 2.04 -1.51 -0.30 0.15 116.25 116.25 1sx4 h VAL 422 Ca -0.00 -0.20 0.05 0.00 -1.23 0.00 0.00 66.70 65.32 1sx4 h VAL 422 Cb 0.68 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.92 1sx4 h VAL 422 CO 0.00 0.06 0.41 0.00 -1.23 0.00 0.00 177.57 176.81 1sx4 h ALA 423 N 1.94 1.76 0.00 5.19 0.00 -1.32 -2.18 119.26 124.66 1sx4 h ALA 423 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 423 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sx4 h ALA 423 CO 0.01 0.14 -0.48 0.66 0.00 0.00 0.00 179.25 179.58 1sx4 h SER 424 N 0.64 0.00 0.41 0.00 4.64 -0.64 -2.99 113.55 115.61 1sx4 h SER 424 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1sx4 h SER 424 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1sx4 h SER 424 CO -0.08 0.17 -0.26 0.11 -0.87 0.00 0.00 176.83 175.90 1sx4 h LYS 425 N 0.00 0.00 -0.63 4.77 1.57 -0.89 -3.04 116.57 118.35 1sx4 h LYS 425 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1sx4 h LYS 425 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1sx4 h LYS 425 CO 0.02 0.26 0.00 1.28 -0.57 0.00 0.00 179.45 180.44 1sx4 n LEU 426 N -3.91 4.02 0.30 2.94 4.77 -0.91 -4.40 117.00 119.81 1sx4 n LEU 426 Ca -0.02 -2.17 0.15 0.00 -0.03 0.00 0.00 56.01 53.95 1sx4 n LEU 426 Cb 0.34 -0.47 0.75 0.00 -2.33 0.00 0.00 43.42 41.71 1sx4 n LEU 426 CO 0.35 0.88 1.13 0.00 -1.33 0.00 0.00 177.39 178.42 1sx4 h ALA 427 N 3.75 1.49 -0.23 -1.18 0.00 -1.41 0.84 119.26 122.53 1sx4 h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 427 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sx4 h ALA 427 CO 0.08 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 1sx4 n ASP 428 N -2.97 2.89 -4.76 0.00 8.00 -1.26 -5.01 116.55 113.43 1sx4 n ASP 428 Ca -0.00 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 1sx4 n ASP 428 Cb 0.46 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sx4 s LEU 429 N -1.33 4.42 0.11 0.64 2.96 0.29 -5.04 118.68 120.73 1sx4 s LEU 429 Ca 0.28 2.65 -0.00 0.00 -0.22 0.00 0.00 54.13 56.83 1sx4 s LEU 429 Cb 0.17 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1sx4 s LEU 429 CO 0.24 -0.55 0.01 -0.13 -1.32 0.00 0.00 176.35 174.60 1sx4 s ARG 430 N -1.43 0.83 0.11 1.98 1.81 -1.26 -5.00 118.95 116.00 1sx4 s ARG 430 Ca 0.51 -1.37 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 1sx4 s ARG 430 Cb -0.40 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.24 1sx4 s ARG 430 CO 0.50 -0.17 0.06 0.41 -0.68 0.00 0.00 175.30 175.42 1sx4 n GLY 431 N -0.04 3.26 0.07 -3.53 0.00 -1.26 -5.01 105.19 98.68 1sx4 n GLY 431 Ca -0.09 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.79 1sx4 n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sx4 n GLN 432 N -0.64 0.07 -3.53 1.61 6.02 -1.26 -4.84 117.38 114.82 1sx4 n GLN 432 Ca -0.01 0.48 -0.08 0.00 -0.01 0.00 0.00 57.00 57.38 1sx4 n GLN 432 Cb 0.13 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 1sx4 n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sx4 s ASN 433 N -3.50 -0.31 0.21 1.08 4.22 -1.26 -5.06 114.94 110.32 1sx4 s ASN 433 Ca 0.01 0.05 -0.08 0.00 -2.14 0.00 0.00 52.86 50.70 1sx4 s ASN 433 Cb 0.05 0.32 0.28 0.00 1.28 0.00 0.00 41.25 43.18 1sx4 s ASN 433 CO 0.17 -0.49 1.78 -0.08 -2.04 0.00 0.00 177.10 176.43 1sx4 h GLU 434 N 2.07 0.56 -0.48 3.55 4.57 -1.99 -0.66 114.58 122.20 1sx4 h GLU 434 Ca -0.19 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1sx4 h GLU 434 Cb 1.21 -0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 29.58 1sx4 h GLU 434 CO 0.29 0.37 -0.44 -0.44 -1.18 0.00 0.00 179.01 177.61 1sx4 h ASP 435 N 0.58 -1.48 -0.89 1.04 3.32 -1.96 0.99 116.42 118.02 1sx4 h ASP 435 Ca 0.32 0.23 0.22 0.00 0.02 0.00 0.00 57.03 57.82 1sx4 h ASP 435 Cb 0.31 0.65 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 1sx4 h ASP 435 CO -0.24 -0.36 0.61 1.56 -1.72 0.00 0.00 179.24 179.09 1sx4 h GLN 436 N -0.29 0.24 -0.30 3.56 4.20 -1.29 0.23 115.11 121.46 1sx4 h GLN 436 Ca 0.15 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1sx4 h GLN 436 Cb 0.57 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1sx4 h GLN 436 CO -0.62 0.16 -0.17 -0.91 -0.67 0.00 0.00 178.83 176.61 1sx4 h ASN 437 N 0.25 0.68 -0.33 1.46 2.35 -0.44 0.55 115.58 120.08 1sx4 h ASN 437 Ca 0.45 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1sx4 h ASN 437 Cb 1.37 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1sx4 h ASN 437 CO -0.12 0.95 0.20 0.58 -1.65 0.00 0.00 177.43 177.39 1sx4 h VAL 438 N 0.40 1.04 -0.52 2.81 2.07 0.38 -1.50 116.25 120.94 1sx4 h VAL 438 Ca 0.06 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1sx4 h VAL 438 Cb 0.71 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1sx4 h VAL 438 CO 0.05 0.07 0.07 1.23 0.02 0.00 0.00 177.57 179.01 1sx4 h GLY 439 N 0.41 0.60 0.79 2.17 0.00 -0.04 0.91 103.07 107.92 1sx4 h GLY 439 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1sx4 h GLY 439 CO -0.06 -0.10 -0.02 -2.22 0.00 0.00 0.00 176.54 174.14 1sx4 h ILE 440 N 0.20 0.90 0.00 2.60 2.04 0.23 -2.86 117.51 120.61 1sx4 h ILE 440 Ca 0.26 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 1sx4 h ILE 440 Cb 0.38 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1sx4 h ILE 440 CO -0.37 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 177.74 1sx4 h LYS 441 N 0.01 0.00 -0.68 2.37 6.56 0.08 0.12 116.57 125.04 1sx4 h LYS 441 Ca 0.05 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1sx4 h LYS 441 Cb 0.08 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 1sx4 h LYS 441 CO -0.11 0.15 0.45 0.28 -2.06 0.00 0.00 179.45 178.16 1sx4 h VAL 442 N 0.00 1.18 0.12 0.50 2.07 0.99 -1.99 116.25 119.11 1sx4 h VAL 442 Ca -0.00 -0.32 -0.30 0.00 0.82 0.00 0.00 66.70 66.90 1sx4 h VAL 442 Cb 0.27 0.17 0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1sx4 h VAL 442 CO 0.02 0.17 -1.25 0.00 0.02 0.00 0.00 177.57 176.53 1sx4 h ALA 443 N 1.25 -0.01 -0.93 1.67 0.00 -0.92 -2.71 119.26 117.60 1sx4 h ALA 443 Ca 0.25 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1sx4 h ALA 443 Cb -0.11 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1sx4 h ALA 443 CO -0.05 0.69 0.61 -0.07 0.00 0.00 0.00 179.25 180.43 1sx4 h LEU 444 N 0.28 1.02 -0.31 0.00 3.38 -1.22 -0.58 115.31 117.88 1sx4 h LEU 444 Ca -0.19 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1sx4 h LEU 444 Cb 1.92 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1sx4 h LEU 444 CO 0.24 0.71 0.16 -0.09 0.09 0.00 0.00 178.44 179.54 1sx4 h ARG 445 N 1.19 0.32 -0.47 1.13 2.43 -1.38 -2.68 114.38 114.92 1sx4 h ARG 445 Ca 0.37 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1sx4 h ARG 445 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1sx4 h ARG 445 CO -0.11 0.21 0.31 0.00 -1.51 0.00 0.00 179.97 178.87 1sx4 h ALA 446 N 1.16 1.68 0.00 2.80 0.00 -1.01 -1.55 119.26 122.33 1sx4 h ALA 446 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 446 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sx4 h ALA 446 CO -0.08 0.29 0.39 0.52 0.00 0.00 0.00 179.25 180.37 1sx4 h MET 447 N 0.62 0.00 0.00 0.00 2.86 -0.77 0.77 114.93 118.40 1sx4 h MET 447 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1sx4 h MET 447 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1sx4 h MET 447 CO -0.04 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.32 1sx4 n GLU 448 N -2.73 0.42 0.02 1.72 1.02 -0.58 -4.03 120.64 116.47 1sx4 n GLU 448 Ca -0.02 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1sx4 n GLU 448 Cb 0.43 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1sx4 n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 449 N 3.31 -0.08 -0.75 0.62 0.00 0.38 -1.17 119.26 121.57 1sx4 h ALA 449 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 449 Cb 0.24 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1sx4 h ALA 449 CO 0.00 -0.32 0.36 -1.35 0.00 0.00 0.00 179.25 177.95 1sx4 h PRO 450 N -0.54 0.56 -0.39 0.00 0.11 -1.78 0.32 132.00 130.28 1sx4 h PRO 450 Ca -0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1sx4 h PRO 450 Cb 0.47 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1sx4 h PRO 450 CO 0.01 0.37 -0.01 1.25 -0.21 0.00 0.00 178.00 179.41 1sx4 h LEU 451 N 0.58 0.68 -1.32 2.35 6.46 -1.71 0.11 115.31 122.46 1sx4 h LEU 451 Ca 0.39 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1sx4 h LEU 451 Cb 0.48 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1sx4 h LEU 451 CO -0.32 0.83 0.27 0.03 -0.62 0.00 0.00 178.44 178.64 1sx4 h ARG 452 N 0.52 0.74 -0.02 1.25 3.08 0.83 -2.22 114.38 118.56 1sx4 h ARG 452 Ca 0.11 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 1sx4 h ARG 452 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1sx4 h ARG 452 CO 0.02 0.56 -0.92 1.96 -1.07 0.00 0.00 179.97 180.53 1sx4 h GLN 453 N 0.75 0.46 -0.71 0.04 1.08 -0.66 -2.38 115.11 113.69 1sx4 h GLN 453 Ca 0.19 -0.47 0.12 0.00 -1.45 0.00 0.00 58.65 57.03 1sx4 h GLN 453 Cb 0.05 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.53 1sx4 h GLN 453 CO -0.03 1.12 0.30 0.82 -0.95 0.00 0.00 178.83 180.10 1sx4 h ILE 454 N 0.27 0.74 -0.19 2.54 2.04 -0.35 -0.20 117.51 122.36 1sx4 h ILE 454 Ca -0.08 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1sx4 h ILE 454 Cb 1.55 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1sx4 h ILE 454 CO 0.16 0.09 -0.38 0.58 0.00 0.00 0.00 178.15 178.60 1sx4 h VAL 455 N 0.49 1.33 -0.04 1.67 2.07 -1.39 -2.97 116.25 117.41 1sx4 h VAL 455 Ca 0.37 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1sx4 h VAL 455 Cb 0.50 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1sx4 h VAL 455 CO -0.34 0.50 -0.23 0.25 0.02 0.00 0.00 177.57 177.77 1sx4 h LEU 456 N 0.27 0.06 -1.12 2.57 5.85 -1.00 -0.41 115.31 121.53 1sx4 h LEU 456 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sx4 h LEU 456 Cb 0.98 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1sx4 h LEU 456 CO 0.09 0.30 0.00 0.78 -0.34 0.00 0.00 178.44 179.26 1sx4 h ASN 457 N 0.06 0.00 -0.00 1.25 -0.26 -0.89 -0.78 115.58 114.96 1sx4 h ASN 457 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1sx4 h ASN 457 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1sx4 h ASN 457 CO 0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 177.43 176.35 1sx4 n GLY 459 N 1.28 0.86 3.51 0.00 0.00 -0.30 -5.02 105.19 105.52 1sx4 n GLY 459 Ca 0.16 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1sx4 n GLY 459 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sx4 n GLU 460 N -2.52 0.75 -3.12 1.61 1.02 -1.16 -5.04 120.64 112.19 1sx4 n GLU 460 Ca -0.16 -3.20 -0.43 0.00 -0.02 0.00 0.00 57.16 53.35 1sx4 n GLU 460 Cb 0.55 0.39 -0.07 0.00 -0.02 0.00 0.00 31.44 32.29 1sx4 n GLU 460 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sx4 s GLU 461 N -4.05 3.22 0.51 3.49 2.02 -1.26 -3.90 118.70 118.72 1sx4 s GLU 461 Ca 0.26 -0.54 0.26 0.00 0.02 0.00 0.00 54.97 54.97 1sx4 s GLU 461 Cb -0.02 -4.00 1.36 0.00 0.10 0.00 0.00 34.13 31.56 1sx4 s GLU 461 CO 0.17 -1.10 1.93 -1.35 0.02 0.00 0.00 175.26 174.93 1sx4 h PRO 462 N 8.94 0.09 0.00 0.39 0.11 -1.88 -0.72 132.00 138.92 1sx4 h PRO 462 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sx4 h PRO 462 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sx4 h PRO 462 CO 0.92 0.06 -0.76 -1.13 -0.21 0.00 0.00 178.00 176.89 1sx4 n SER 463 N -4.36 0.67 0.01 -2.05 3.41 -1.26 -1.28 113.62 108.76 1sx4 n SER 463 Ca 0.15 0.03 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 1sx4 n SER 463 Cb 0.76 0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 64.93 1sx4 n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sx4 h VAL 464 N 0.00 1.35 0.80 -3.33 2.07 -1.57 -2.43 116.25 113.13 1sx4 h VAL 464 Ca 0.00 -2.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 1sx4 h VAL 464 Cb 0.75 2.99 0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1sx4 h VAL 464 CO 0.00 0.67 -0.38 0.58 0.02 0.00 0.00 177.57 178.45 1sx4 h VAL 465 N -0.49 0.11 -0.82 2.57 2.07 -1.43 -1.98 116.25 116.29 1sx4 h VAL 465 Ca -0.19 -0.15 0.20 0.00 0.82 0.00 0.00 66.70 67.38 1sx4 h VAL 465 Cb 1.56 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 31.32 1sx4 h VAL 465 CO 0.07 0.01 0.08 0.00 0.02 0.00 0.00 177.57 177.75 1sx4 h ALA 466 N -1.11 0.98 -0.01 1.67 0.00 -1.35 0.58 119.26 120.03 1sx4 h ALA 466 Ca -0.11 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 466 Cb 0.83 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1sx4 h ALA 466 CO 0.18 -0.45 -0.31 -0.91 0.00 0.00 0.00 179.25 177.76 1sx4 h ASN 467 N 0.13 -0.94 -0.34 0.00 4.21 -1.32 0.53 115.58 117.85 1sx4 h ASN 467 Ca 0.48 0.12 -0.04 0.00 1.21 0.00 0.00 56.30 58.07 1sx4 h ASN 467 Cb 0.89 0.38 -0.02 0.00 -1.12 0.00 0.00 38.32 38.45 1sx4 h ASN 467 CO -0.69 -0.37 0.08 0.71 -1.29 0.00 0.00 177.43 175.87 1sx4 h THR 468 N -0.46 1.20 -0.23 2.81 1.35 -0.46 0.78 112.91 117.89 1sx4 h THR 468 Ca 0.06 -0.72 -0.10 0.00 -0.55 0.00 0.00 66.41 65.11 1sx4 h THR 468 Cb 0.55 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1sx4 h THR 468 CO -0.27 0.26 -0.27 0.58 -0.25 0.00 0.00 175.52 175.57 1sx4 h VAL 469 N 0.61 1.27 -0.39 6.82 2.07 -0.41 -2.36 116.25 123.87 1sx4 h VAL 469 Ca 0.14 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.22 1sx4 h VAL 469 Cb 0.26 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1sx4 h VAL 469 CO -0.00 0.41 -0.35 0.11 0.02 0.00 0.00 177.57 177.76 1sx4 h LYS 470 N 0.40 0.92 0.00 1.57 1.57 0.12 -2.38 116.57 118.76 1sx4 h LYS 470 Ca 0.06 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1sx4 h LYS 470 Cb 0.68 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1sx4 h LYS 470 CO 0.05 1.12 0.13 0.41 -0.57 0.00 0.00 179.45 180.59 1sx4 n GLY 471 N 0.10 -0.58 0.00 3.86 0.00 0.15 -4.68 105.19 104.05 1sx4 n GLY 471 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sx4 n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 472 N -1.34 1.80 3.23 -0.02 0.00 -0.90 -5.09 105.19 102.88 1sx4 n GLY 472 Ca -0.01 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1sx4 n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 473 N -1.00 0.02 0.00 1.61 -0.00 -1.26 -5.04 116.67 111.00 1sx4 s ASP 473 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 52.55 52.01 1sx4 s ASP 473 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 42.92 43.29 1sx4 s ASP 473 CO 0.00 -0.75 0.00 0.61 -0.00 0.00 0.00 175.17 175.03 1sx4 n GLY 474 N -0.05 1.58 1.58 0.21 0.00 -1.26 -1.07 105.19 106.19 1sx4 n GLY 474 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1sx4 n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sx4 n ASN 475 N 2.04 4.48 -4.73 1.61 5.03 -1.26 -4.93 115.26 117.49 1sx4 n ASN 475 Ca 0.00 -3.18 -0.42 0.00 0.87 0.00 0.00 54.58 51.85 1sx4 n ASN 475 Cb 0.00 -0.67 -0.03 0.00 -1.02 0.00 0.00 39.78 38.06 1sx4 n ASN 475 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1sx4 s TYR 476 N -2.95 3.21 0.36 3.10 5.04 -0.23 -0.24 117.35 125.65 1sx4 s TYR 476 Ca 0.50 1.05 -0.12 0.00 -2.44 0.00 0.00 57.07 56.06 1sx4 s TYR 476 Cb 0.41 -3.68 0.04 0.00 0.35 0.00 0.00 41.96 39.07 1sx4 s TYR 476 CO 0.11 -2.28 0.68 0.20 -1.34 0.00 0.00 175.55 172.92 1sx4 s GLY 477 N 0.73 0.67 -0.20 8.97 0.00 0.11 -4.78 107.32 112.82 1sx4 s GLY 477 Ca 0.61 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 1sx4 s GLY 477 CO 0.35 -0.51 0.24 -0.47 0.00 0.00 0.00 173.10 172.71 1sx4 s TYR 478 N -2.70 3.39 -0.62 1.90 5.04 -1.26 -1.39 117.35 121.70 1sx4 s TYR 478 Ca 0.20 0.44 -0.20 0.00 -2.44 0.00 0.00 57.07 55.06 1sx4 s TYR 478 Cb -0.04 -2.33 0.09 0.00 0.35 0.00 0.00 41.96 40.04 1sx4 s TYR 478 CO 0.14 0.14 0.80 1.21 -1.34 0.00 0.00 175.55 176.49 1sx4 s ASN 479 N 0.75 6.19 0.41 4.32 3.84 0.26 -4.86 114.94 125.86 1sx4 s ASN 479 Ca 0.13 -1.32 0.09 0.00 0.21 0.00 0.00 52.86 51.97 1sx4 s ASN 479 Cb -0.13 -2.34 0.87 0.00 -0.55 0.00 0.00 41.25 39.10 1sx4 s ASN 479 CO 0.04 -1.22 2.01 0.00 -2.79 0.00 0.00 177.10 175.14 1sx4 h ALA 480 N 9.29 1.65 -0.35 1.71 0.00 -1.95 0.14 119.26 129.74 1sx4 h ALA 480 Ca -0.28 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1sx4 h ALA 480 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1sx4 h ALA 480 CO 1.13 0.27 -0.40 0.00 0.00 0.00 0.00 179.25 180.24 1sx4 h ALA 481 N 1.72 0.61 -0.57 0.00 0.00 -1.95 -3.18 119.26 115.90 1sx4 h ALA 481 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sx4 h ALA 481 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sx4 h ALA 481 CO -0.00 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.17 1sx4 n THR 482 N -4.05 0.97 -3.63 0.00 -2.24 -0.95 -4.93 114.28 99.45 1sx4 n THR 482 Ca -0.02 -0.99 -0.28 0.00 -2.27 0.00 0.00 64.05 60.49 1sx4 n THR 482 Cb 0.55 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1sx4 n THR 482 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sx4 n GLU 483 N 1.21 -0.84 -4.11 -0.78 0.28 0.44 -4.97 120.64 111.87 1sx4 n GLU 483 Ca 0.19 0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 57.16 1sx4 n GLU 483 Cb 0.55 -3.07 -0.11 0.00 1.43 0.00 0.00 31.44 30.24 1sx4 n GLU 483 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1sx4 s GLU 484 N -5.46 0.66 0.71 3.44 -1.05 -0.98 -4.96 118.70 111.07 1sx4 s GLU 484 Ca 0.45 -1.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 1sx4 s GLU 484 Cb -0.26 -0.27 0.02 0.00 -0.44 0.00 0.00 34.13 33.18 1sx4 s GLU 484 CO 0.70 0.02 1.07 0.71 0.95 0.00 0.00 175.26 178.72 1sx4 s TYR 485 N -2.33 3.17 -2.72 4.83 1.51 -1.26 -0.58 117.35 119.98 1sx4 s TYR 485 Ca -0.01 1.27 0.00 0.00 -1.01 0.00 0.00 57.07 57.32 1sx4 s TYR 485 Cb -0.04 -2.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1sx4 s TYR 485 CO -0.02 -1.26 0.00 0.41 -1.11 0.00 0.00 175.55 173.57 1sx4 n GLY 486 N -2.32 -1.56 3.63 0.71 0.00 -0.49 -4.83 105.19 100.33 1sx4 n GLY 486 Ca 0.07 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1sx4 n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sx4 s ASN 487 N -2.76 6.85 0.31 1.61 3.84 -1.26 0.07 114.94 123.60 1sx4 s ASN 487 Ca 0.00 0.93 -0.01 0.00 0.21 0.00 0.00 52.86 53.99 1sx4 s ASN 487 Cb 0.00 -2.50 0.49 0.00 -0.55 0.00 0.00 41.25 38.69 1sx4 s ASN 487 CO 0.00 -0.81 1.97 0.24 -2.79 0.00 0.00 177.10 175.71 1sx4 h MET 488 N 8.11 1.00 -0.40 0.43 2.86 -0.92 -1.95 114.93 124.05 1sx4 h MET 488 Ca -0.22 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1sx4 h MET 488 Cb 1.07 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1sx4 h MET 488 CO 0.99 0.68 0.03 0.82 1.06 0.00 0.00 176.91 180.49 1sx4 h ILE 489 N 1.02 1.25 -0.81 -1.22 1.08 -1.80 -1.84 117.51 115.20 1sx4 h ILE 489 Ca 0.27 -0.93 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1sx4 h ILE 489 Cb -0.08 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 1sx4 h ILE 489 CO -0.06 0.32 0.48 0.44 -0.69 0.00 0.00 178.15 178.64 1sx4 h ASP 490 N 0.51 0.97 -0.01 1.72 3.32 -1.89 -1.84 116.42 119.20 1sx4 h ASP 490 Ca 0.12 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1sx4 h ASP 490 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1sx4 h ASP 490 CO 0.01 0.75 0.00 0.23 -1.72 0.00 0.00 179.24 178.52 1sx4 n MET 491 N -4.37 1.06 -1.74 3.56 2.81 -0.75 -4.88 117.12 112.80 1sx4 n MET 491 Ca 0.09 -0.09 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 1sx4 n MET 491 Cb 0.07 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1sx4 n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sx4 n GLY 492 N 0.90 0.58 3.33 3.03 0.00 -0.69 -4.95 105.19 107.40 1sx4 n GLY 492 Ca 0.18 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1sx4 n GLY 492 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sx4 n ILE 493 N -3.34 4.53 -3.84 -0.61 5.41 -0.75 -4.80 119.36 115.95 1sx4 n ILE 493 Ca -0.11 -5.18 -0.36 0.00 1.00 0.00 0.00 62.75 58.10 1sx4 n ILE 493 Cb 0.47 -2.50 -0.10 0.00 -0.71 0.00 0.00 39.64 36.79 1sx4 n ILE 493 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sx4 s LEU 494 N -0.47 3.80 -0.02 1.39 1.43 -1.26 -1.83 118.68 121.72 1sx4 s LEU 494 Ca 0.35 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1sx4 s LEU 494 Cb -0.06 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1sx4 s LEU 494 CO -0.04 0.08 0.24 -1.81 0.23 0.00 0.00 176.35 175.06 1sx4 s ASP 495 N 0.93 6.49 0.19 2.29 1.01 -0.70 -4.63 116.67 122.25 1sx4 s ASP 495 Ca 0.05 0.55 -0.30 0.00 0.71 0.00 0.00 52.55 53.56 1sx4 s ASP 495 Cb -0.14 -2.09 -0.08 0.00 1.01 0.00 0.00 42.92 41.62 1sx4 s ASP 495 CO 0.03 0.30 1.15 -2.84 0.21 0.00 0.00 175.17 174.01 1sx4 s PRO 496 N -1.55 4.55 0.10 8.23 0.02 -1.26 -2.18 135.00 142.91 1sx4 s PRO 496 Ca 0.24 1.80 -0.24 0.00 0.02 0.00 0.00 61.00 62.83 1sx4 s PRO 496 Cb -0.13 -3.25 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 1sx4 s PRO 496 CO 0.13 0.02 1.70 1.15 -0.33 0.00 0.00 177.00 179.67 1sx4 h THR 497 N 3.65 0.80 -1.42 0.99 2.02 0.32 -1.01 112.91 118.26 1sx4 h THR 497 Ca -0.45 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.15 1sx4 h THR 497 Cb 1.21 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 1sx4 h THR 497 CO 0.73 0.00 0.99 0.50 0.37 0.00 0.00 175.52 178.11 1sx4 h LYS 498 N -0.17 0.06 0.08 6.66 3.64 -1.80 0.21 116.57 125.27 1sx4 h LYS 498 Ca 0.02 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1sx4 h LYS 498 Cb 0.18 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1sx4 h LYS 498 CO -0.05 0.04 -0.54 -0.39 -2.27 0.00 0.00 179.45 176.24 1sx4 h VAL 499 N 0.07 1.58 -0.85 2.00 -1.51 -1.54 -1.82 116.25 114.17 1sx4 h VAL 499 Ca 0.73 -2.39 0.11 0.00 -1.23 0.00 0.00 66.70 63.91 1sx4 h VAL 499 Cb 2.66 3.16 -0.06 0.00 -2.13 0.00 0.00 31.29 34.92 1sx4 h VAL 499 CO -0.13 0.66 0.55 0.74 -1.23 0.00 0.00 177.57 178.16 1sx4 h THR 500 N -0.51 0.93 -0.01 7.19 2.02 -0.96 -0.03 112.91 121.54 1sx4 h THR 500 Ca -0.09 -0.27 -0.22 0.00 0.77 0.00 0.00 66.41 66.60 1sx4 h THR 500 Cb 1.40 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1sx4 h THR 500 CO 0.10 0.14 -0.91 -0.09 0.37 0.00 0.00 175.52 175.14 1sx4 h ARG 501 N 0.78 0.39 -0.11 6.66 1.12 -0.68 -2.61 114.38 119.94 1sx4 h ARG 501 Ca 0.40 -0.41 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1sx4 h ARG 501 Cb 0.49 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.56 1sx4 h ARG 501 CO -0.17 1.08 -0.04 0.77 -3.11 0.00 0.00 179.97 178.50 1sx4 h SER 502 N 0.23 0.22 -0.89 -3.80 0.02 -0.62 -2.08 113.55 106.63 1sx4 h SER 502 Ca -0.07 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1sx4 h SER 502 Cb 1.54 -0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.90 1sx4 h SER 502 CO 0.16 0.56 -0.55 0.00 -1.14 0.00 0.00 176.83 175.85 1sx4 h ALA 503 N 0.66 -0.49 -0.76 3.77 0.00 -1.07 -0.10 119.26 121.27 1sx4 h ALA 503 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 503 Cb 0.47 1.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1sx4 h ALA 503 CO 0.01 -0.93 0.50 1.25 0.00 0.00 0.00 179.25 180.07 1sx4 h LEU 504 N -0.07 0.84 -0.19 0.00 6.46 -1.39 -2.25 115.31 118.70 1sx4 h LEU 504 Ca 0.17 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1sx4 h LEU 504 Cb 0.47 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1sx4 h LEU 504 CO -0.88 0.59 0.04 1.56 -0.62 0.00 0.00 178.44 179.13 1sx4 h GLN 505 N 0.99 0.30 -0.07 1.25 4.20 -0.59 -1.52 115.11 119.68 1sx4 h GLN 505 Ca 0.29 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.73 1sx4 h GLN 505 Cb -0.05 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1sx4 h GLN 505 CO -0.09 0.44 -0.78 1.88 -0.67 0.00 0.00 178.83 179.62 1sx4 h TYR 506 N 0.11 0.60 -0.19 2.96 0.05 -1.02 -0.91 116.97 118.56 1sx4 h TYR 506 Ca 0.06 -0.28 -0.08 0.00 0.05 0.00 0.00 58.73 58.48 1sx4 h TYR 506 Cb 0.28 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1sx4 h TYR 506 CO 0.01 1.05 -0.20 0.00 -1.05 0.00 0.00 178.16 177.97 1sx4 h ALA 507 N 0.87 0.28 -0.45 3.88 0.00 -1.43 -2.79 119.26 119.63 1sx4 h ALA 507 Ca -0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1sx4 h ALA 507 Cb 1.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1sx4 h ALA 507 CO 0.14 0.21 -0.09 0.00 0.00 0.00 0.00 179.25 179.51 1sx4 h ALA 508 N 0.63 1.00 -0.51 0.00 0.00 -1.15 0.62 119.26 119.85 1sx4 h ALA 508 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 508 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1sx4 h ALA 508 CO 0.05 0.60 0.28 1.03 0.00 0.00 0.00 179.25 181.21 1sx4 h SER 509 N 0.72 0.64 0.12 0.00 0.87 -0.96 0.60 113.55 115.53 1sx4 h SER 509 Ca 0.12 -0.09 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 1sx4 h SER 509 Cb 0.57 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1sx4 h SER 509 CO 0.04 0.54 -1.00 -0.37 -0.53 0.00 0.00 176.83 175.51 1sx4 h VAL 510 N 0.68 1.33 -0.59 2.23 -1.51 -1.46 -3.31 116.25 113.63 1sx4 h VAL 510 Ca 0.18 -2.46 0.12 0.00 -1.23 0.00 0.00 66.70 63.31 1sx4 h VAL 510 Cb 0.04 3.00 -0.11 0.00 -2.13 0.00 0.00 31.29 32.09 1sx4 h VAL 510 CO -0.03 0.69 -0.18 0.00 -1.23 0.00 0.00 177.57 176.82 1sx4 h ALA 511 N 0.00 0.32 -0.66 5.19 0.00 -0.75 -0.93 119.26 122.44 1sx4 h ALA 511 Ca -0.20 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 511 Cb 1.63 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 1sx4 h ALA 511 CO 0.09 -0.47 -0.49 0.78 0.00 0.00 0.00 179.25 179.16 1sx4 h GLY 512 N -0.03 -0.61 0.71 0.00 0.00 0.08 -0.50 103.07 102.71 1sx4 h GLY 512 Ca 0.28 0.64 0.04 0.00 0.00 0.00 0.00 47.33 48.29 1sx4 h GLY 512 CO -0.62 -0.11 0.12 1.41 0.00 0.00 0.00 176.54 177.34 1sx4 h LEU 513 N -0.20 0.14 -1.31 3.11 3.38 -1.34 -2.78 115.31 116.31 1sx4 h LEU 513 Ca 0.17 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.31 1sx4 h LEU 513 Cb 0.54 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1sx4 h LEU 513 CO -0.74 0.12 0.57 0.24 0.09 0.00 0.00 178.44 178.71 1sx4 h MET 514 N 0.27 0.65 0.00 1.13 2.86 0.17 0.56 114.93 120.58 1sx4 h MET 514 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1sx4 h MET 514 Cb 0.13 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1sx4 h MET 514 CO -0.16 0.43 0.00 0.44 1.06 0.00 0.00 176.91 178.69 1sx4 n ILE 515 N -4.55 0.00 -0.74 -1.22 -5.35 -0.88 -2.39 119.36 104.22 1sx4 n ILE 515 Ca 0.17 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.73 1sx4 n ILE 515 Cb 0.47 -0.42 0.29 0.00 -1.74 0.00 0.00 39.64 38.23 1sx4 n ILE 515 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1sx4 n THR 516 N -0.89 2.02 -2.24 7.28 -2.24 0.20 -4.85 114.28 113.56 1sx4 n THR 516 Ca 0.17 -1.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.05 1sx4 n THR 516 Cb 0.08 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1sx4 n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sx4 s THR 517 N -2.25 3.52 0.00 4.28 2.01 -1.01 -4.93 115.64 117.27 1sx4 s THR 517 Ca 0.43 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1sx4 s THR 517 Cb 0.31 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1sx4 s THR 517 CO 0.15 0.08 0.00 1.21 -0.69 0.00 0.00 174.62 175.37 1sx4 n GLU 518 N 4.04 1.86 -3.98 4.92 4.07 -1.26 -4.82 120.64 125.46 1sx4 n GLU 518 Ca 0.11 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.12 1sx4 n GLU 518 Cb 0.43 -0.91 -0.10 0.00 -0.06 0.00 0.00 31.44 30.81 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sx4 s MET 520 N -2.69 0.12 -0.04 0.00 -1.94 0.13 -4.97 119.30 109.91 1sx4 s MET 520 Ca -0.04 0.30 0.05 0.00 -1.71 0.00 0.00 55.69 54.29 1sx4 s MET 520 Cb -0.01 -0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.75 1sx4 s MET 520 CO -0.05 -0.11 -0.20 0.08 -0.01 0.00 0.00 175.02 174.73 1sx4 s VAL 521 N 0.73 1.65 0.03 -6.03 1.01 -1.26 -0.42 120.40 116.10 1sx4 s VAL 521 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1sx4 s VAL 521 Cb -0.07 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1sx4 s VAL 521 CO -0.04 0.47 0.10 1.07 0.00 0.00 0.00 175.10 176.71 1sx4 n THR 522 N 2.98 0.00 -2.50 3.92 5.66 -1.15 -5.00 114.28 118.19 1sx4 n THR 522 Ca -0.17 -0.08 -0.25 0.00 -3.05 0.00 0.00 64.05 60.50 1sx4 n THR 522 Cb 0.53 0.09 0.04 0.00 -1.55 0.00 0.00 70.33 69.44 1sx4 n THR 522 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1sx4 s ASP 523 N -1.25 5.44 0.38 1.09 1.11 -1.26 -0.76 116.67 121.42 1sx4 s ASP 523 Ca 0.02 0.49 -0.25 0.00 0.18 0.00 0.00 52.55 52.99 1sx4 s ASP 523 Cb -0.00 -1.45 -0.09 0.00 1.07 0.00 0.00 42.92 42.45 1sx4 s ASP 523 CO 0.01 -1.11 1.07 -0.76 1.18 0.00 0.00 175.17 175.56 1sx4 s LEU 524 N -4.93 4.21 0.00 1.23 1.43 -1.17 -4.29 118.68 115.16 1sx4 s LEU 524 Ca 0.54 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1sx4 s LEU 524 Cb -0.10 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1sx4 s LEU 524 CO 0.43 -0.47 0.38 -0.81 0.23 0.00 0.00 176.35 176.10