#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 n ALA 3 N 0.00 0.36 -2.74 0.00 0.00 -1.26 -4.97 120.51 111.90 1sx4 n ALA 3 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1sx4 n ALA 3 Cb 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1sx4 n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sx4 s LYS 4 N -1.58 2.63 -0.32 0.00 -0.14 -1.26 -3.14 119.74 115.93 1sx4 s LYS 4 Ca 0.58 -1.17 -0.06 0.00 -1.36 0.00 0.00 55.97 53.96 1sx4 s LYS 4 Cb -0.66 -2.41 0.03 0.00 -1.68 0.00 0.00 37.83 33.12 1sx4 s LYS 4 CO 0.60 0.41 0.09 0.34 -0.76 0.00 0.00 175.35 176.03 1sx4 s ASP 5 N -3.58 5.21 -0.12 2.83 -1.08 -0.04 -4.78 116.67 115.11 1sx4 s ASP 5 Ca 0.31 -0.98 -0.07 0.00 -0.52 0.00 0.00 52.55 51.30 1sx4 s ASP 5 Cb -0.08 -1.87 -0.04 0.00 -1.46 0.00 0.00 42.92 39.48 1sx4 s ASP 5 CO 0.22 -0.27 0.13 0.68 0.52 0.00 0.00 175.17 176.45 1sx4 s VAL 6 N 1.43 5.41 0.00 1.11 -7.23 -1.26 -2.87 120.40 116.99 1sx4 s VAL 6 Ca -0.00 0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1sx4 s VAL 6 Cb -0.19 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 1sx4 s VAL 6 CO 0.02 0.60 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.75 1sx4 s LYS 7 N -0.90 0.99 0.35 4.82 1.02 0.47 -4.97 119.74 121.51 1sx4 s LYS 7 Ca 0.14 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.71 1sx4 s LYS 7 Cb -0.12 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 1sx4 s LYS 7 CO 0.03 0.26 0.05 -0.06 -0.92 0.00 0.00 175.35 174.71 1sx4 s PHE 8 N -0.42 2.58 0.00 3.18 0.40 -1.26 -0.90 117.98 121.55 1sx4 s PHE 8 Ca 0.04 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1sx4 s PHE 8 Cb -0.05 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1sx4 s PHE 8 CO -0.00 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.76 1sx4 n GLY 9 N -1.01 1.13 0.06 4.36 0.00 0.29 -1.91 105.19 108.12 1sx4 n GLY 9 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.05 -0.44 1.61 -1.24 -1.94 0.38 115.58 113.89 1sx4 h ASN 10 Ca 0.00 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.04 1sx4 h ASN 10 Cb 0.00 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.01 1sx4 h ASN 10 CO 0.00 -0.02 -0.26 0.47 -1.29 0.00 0.00 177.43 176.33 1sx4 n ASP 11 N -5.11 -0.47 -0.24 1.15 9.92 -1.24 0.28 116.55 120.84 1sx4 n ASP 11 Ca -0.08 0.92 -0.07 0.00 -0.53 0.00 0.00 54.79 55.03 1sx4 n ASP 11 Cb 0.06 -0.17 0.04 0.00 -0.64 0.00 0.00 41.12 40.41 1sx4 n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sx4 h ALA 12 N 0.09 0.86 -0.34 2.24 0.00 0.33 -2.84 119.26 119.59 1sx4 h ALA 12 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 12 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sx4 h ALA 12 CO -0.42 0.55 0.10 0.00 0.00 0.00 0.00 179.25 179.49 1sx4 h ARG 13 N 0.96 0.53 -0.59 0.00 3.08 -0.01 -0.43 114.38 117.92 1sx4 h ARG 13 Ca 0.21 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1sx4 h ARG 13 Cb 0.32 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1sx4 h ARG 13 CO -0.00 0.56 0.27 0.28 -1.07 0.00 0.00 179.97 180.00 1sx4 h VAL 14 N 0.40 0.86 0.15 2.04 2.07 -0.05 0.80 116.25 122.52 1sx4 h VAL 14 Ca 0.11 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1sx4 h VAL 14 Cb 0.25 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1sx4 h VAL 14 CO -0.00 0.09 -0.07 0.11 0.02 0.00 0.00 177.57 177.71 1sx4 h LYS 15 N 0.49 -0.20 -1.14 1.57 1.79 -1.26 -2.20 116.57 115.62 1sx4 h LYS 15 Ca 0.28 0.01 0.35 0.00 -2.18 0.00 0.00 60.65 59.11 1sx4 h LYS 15 Cb 0.28 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 30.85 1sx4 h LYS 15 CO -0.24 -0.06 0.71 1.98 -1.08 0.00 0.00 179.45 180.76 1sx4 h MET 16 N -0.29 0.25 0.13 3.15 4.05 0.77 0.13 114.93 123.12 1sx4 h MET 16 Ca -0.02 -0.01 -0.28 0.00 -0.28 0.00 0.00 59.70 59.10 1sx4 h MET 16 Cb 0.23 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1sx4 h MET 16 CO 0.03 0.16 -1.24 1.25 0.23 0.00 0.00 176.91 177.35 1sx4 h LEU 17 N 0.26 0.54 -0.77 3.39 5.85 -0.58 -2.20 115.31 121.79 1sx4 h LEU 17 Ca 0.72 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1sx4 h LEU 17 Cb 1.96 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.76 1sx4 h LEU 17 CO -0.43 1.41 0.46 0.03 -0.34 0.00 0.00 178.44 179.58 1sx4 h ARG 18 N 0.12 0.83 -0.01 1.25 3.08 -0.14 0.39 114.38 119.90 1sx4 h ARG 18 Ca -0.15 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1sx4 h ARG 18 Cb 1.95 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.78 1sx4 h ARG 18 CO 0.21 0.55 -0.30 0.78 -1.07 0.00 0.00 179.97 180.15 1sx4 h GLY 19 N 0.85 -1.26 -0.41 0.04 0.00 -1.25 -0.69 103.07 100.36 1sx4 h GLY 19 Ca 0.33 0.64 0.14 0.00 0.00 0.00 0.00 47.33 48.44 1sx4 h GLY 19 CO -0.16 -0.37 -0.19 -2.08 0.00 0.00 0.00 176.54 173.73 1sx4 h VAL 20 N -0.36 0.28 -0.69 4.60 2.07 -0.80 -2.82 116.25 118.53 1sx4 h VAL 20 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1sx4 h VAL 20 Cb 0.39 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1sx4 h VAL 20 CO -0.20 0.00 0.42 0.78 0.02 0.00 0.00 177.57 178.59 1sx4 h ASN 21 N -0.02 0.68 -0.22 0.57 -0.26 0.26 0.84 115.58 117.43 1sx4 h ASN 21 Ca 0.33 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.06 1sx4 h ASN 21 Cb 0.52 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1sx4 h ASN 21 CO -0.72 0.47 0.10 0.58 -1.06 0.00 0.00 177.43 176.80 1sx4 h VAL 22 N 0.82 1.14 0.73 2.81 2.07 -0.90 0.12 116.25 123.04 1sx4 h VAL 22 Ca 0.28 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1sx4 h VAL 22 Cb 0.06 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1sx4 h VAL 22 CO -0.12 0.14 -0.35 0.25 0.02 0.00 0.00 177.57 177.50 1sx4 h LEU 23 N 0.22 -0.83 -0.53 2.57 7.12 -1.30 -2.40 115.31 120.15 1sx4 h LEU 23 Ca 0.07 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.20 1sx4 h LEU 23 Cb 0.12 0.22 -0.10 0.00 -0.53 0.00 0.00 40.66 40.37 1sx4 h LEU 23 CO -0.01 -0.54 -0.08 0.00 -0.13 0.00 0.00 178.44 177.68 1sx4 h ALA 24 N -0.86 0.42 0.00 1.25 0.00 0.83 0.10 119.26 121.00 1sx4 h ALA 24 Ca -0.10 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sx4 h ALA 24 Cb 0.77 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sx4 h ALA 24 CO 0.17 -0.42 -0.07 -0.44 0.00 0.00 0.00 179.25 178.48 1sx4 h ASP 25 N 0.04 0.00 0.98 0.00 5.19 -0.75 0.43 116.42 122.31 1sx4 h ASP 25 Ca 0.26 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.60 1sx4 h ASP 25 Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1sx4 h ASP 25 CO -0.51 0.07 -0.34 0.00 -3.12 0.00 0.00 179.24 175.34 1sx4 h ALA 26 N 1.93 0.96 0.05 3.45 0.00 -0.29 -3.29 119.26 122.06 1sx4 h ALA 26 Ca -0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 1sx4 h ALA 26 Cb 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1sx4 h ALA 26 CO 0.01 0.43 -1.84 0.28 0.00 0.00 0.00 179.25 178.12 1sx4 n VAL 27 N -3.44 1.68 -0.36 0.00 0.31 0.13 -3.95 118.33 112.70 1sx4 n VAL 27 Ca 0.00 -0.74 0.10 0.00 -0.01 0.00 0.00 64.34 63.69 1sx4 n VAL 27 Cb 0.52 -1.31 0.28 0.00 -0.91 0.00 0.00 33.84 32.41 1sx4 n VAL 27 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sx4 h LYS 28 N 0.03 0.86 -0.14 5.55 1.57 -0.99 -2.89 116.57 120.55 1sx4 h LYS 28 Ca -0.35 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1sx4 h LYS 28 Cb 2.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1sx4 h LYS 28 CO 0.08 0.57 0.27 -0.39 -0.57 0.00 0.00 179.45 179.41 1sx4 h VAL 29 N 0.88 0.23 -0.33 0.50 -1.51 -1.68 -0.66 116.25 113.68 1sx4 h VAL 29 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.01 1sx4 h VAL 29 Cb 0.69 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1sx4 h VAL 29 CO -0.32 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.37 1sx4 n THR 30 N -3.37 1.48 -3.49 7.19 -2.24 -1.09 -1.97 114.28 110.79 1sx4 n THR 30 Ca 0.01 -0.77 -0.37 0.00 -2.27 0.00 0.00 64.05 60.65 1sx4 n THR 30 Cb 0.37 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.51 4.22 0.00 3.22 2.96 -0.26 -4.55 118.68 122.77 1sx4 s LEU 31 Ca 0.31 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1sx4 s LEU 31 Cb 0.23 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1sx4 s LEU 31 CO 0.10 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1sx4 n GLY 32 N 3.52 -0.05 0.24 7.98 0.00 -1.26 -4.05 105.19 111.57 1sx4 n GLY 32 Ca -0.11 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.08 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 0.34 -1.34 1.61 0.13 -1.92 -1.17 132.00 129.66 1sx4 h PRO 33 Ca 0.00 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.93 1sx4 h PRO 33 Cb 0.00 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.03 1sx4 h PRO 33 CO 0.00 0.48 0.14 1.63 -0.23 0.00 0.00 178.00 180.02 1sx4 n LYS 34 N -4.24 1.26 -1.68 0.86 5.02 -1.26 -4.92 118.16 113.21 1sx4 n LYS 34 Ca -0.00 -0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 55.41 1sx4 n LYS 34 Cb 0.30 -1.23 0.07 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.87 1.63 0.35 0.72 0.00 -0.44 -4.62 107.32 105.83 1sx4 s GLY 35 Ca 0.11 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.67 1sx4 s GLY 35 CO 0.01 0.18 0.03 0.50 0.00 0.00 0.00 173.10 173.82 1sx4 s ARG 36 N -5.21 1.75 0.25 2.90 0.52 -0.83 -4.95 118.95 113.39 1sx4 s ARG 36 Ca 0.59 -1.97 0.05 0.00 -0.52 0.00 0.00 55.73 53.88 1sx4 s ARG 36 Cb -0.13 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 1sx4 s ARG 36 CO 0.53 -0.12 0.36 -0.80 0.02 0.00 0.00 175.30 175.29 1sx4 s ASN 37 N -3.56 6.22 0.16 0.23 0.01 -1.26 -4.02 114.94 112.71 1sx4 s ASN 37 Ca 0.36 0.01 0.09 0.00 -0.71 0.00 0.00 52.86 52.61 1sx4 s ASN 37 Cb 0.09 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 1sx4 s ASN 37 CO 0.16 -0.12 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.79 1sx4 s VAL 38 N -2.02 2.91 -0.18 1.60 1.01 -0.02 -4.96 120.40 118.75 1sx4 s VAL 38 Ca 0.35 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1sx4 s VAL 38 Cb -0.09 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1sx4 s VAL 38 CO 0.29 -0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.54 1sx4 s VAL 39 N -1.48 2.71 -0.19 2.92 1.01 -1.26 -1.85 120.40 122.25 1sx4 s VAL 39 Ca 0.21 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1sx4 s VAL 39 Cb -0.09 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1sx4 s VAL 39 CO 0.12 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.97 1sx4 s LEU 40 N 1.09 3.38 1.07 3.92 1.43 -0.67 -4.97 118.68 123.93 1sx4 s LEU 40 Ca 0.00 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 1sx4 s LEU 40 Cb -0.14 -1.85 0.23 0.00 0.03 0.00 0.00 46.19 44.45 1sx4 s LEU 40 CO -0.04 0.10 1.14 -0.62 0.23 0.00 0.00 176.35 177.16 1sx4 s ASP 41 N 0.79 2.09 -0.30 2.29 -1.08 -1.26 -2.11 116.67 117.09 1sx4 s ASP 41 Ca 0.01 0.75 -0.07 0.00 -0.52 0.00 0.00 52.55 52.72 1sx4 s ASP 41 Cb -0.14 -1.11 0.16 0.00 -1.46 0.00 0.00 42.92 40.37 1sx4 s ASP 41 CO 0.02 -3.42 0.67 -0.54 0.52 0.00 0.00 175.17 172.42 1sx4 s LYS 42 N -5.37 0.54 0.30 4.34 1.02 -1.26 -4.82 119.74 114.49 1sx4 s LYS 42 Ca 0.69 1.19 -0.02 0.00 0.02 0.00 0.00 55.97 57.85 1sx4 s LYS 42 Cb -0.12 0.70 0.45 0.00 -0.52 0.00 0.00 37.83 38.34 1sx4 s LYS 42 CO 0.55 -0.36 1.96 0.66 -0.92 0.00 0.00 175.35 177.24 1sx4 h SER 43 N 7.97 0.92 0.00 2.83 4.64 -1.98 -3.28 113.55 124.65 1sx4 h SER 43 Ca -0.20 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1sx4 h SER 43 Cb 1.13 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1sx4 h SER 43 CO 0.16 0.68 0.00 0.49 -0.87 0.00 0.00 176.83 177.29 1sx4 n PHE 44 N -4.40 0.00 0.00 4.77 3.72 -1.26 -5.02 117.46 115.27 1sx4 n PHE 44 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1sx4 n PHE 44 Cb 0.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 5.47 3.72 1.37 0.00 -1.24 -5.12 105.19 109.40 1sx4 n GLY 45 Ca 0.00 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 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 1.16 -0.36 4.61 0.00 -1.26 -4.59 120.51 117.06 1sx4 n ALA 46 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1sx4 n ALA 46 Cb 0.00 -2.31 0.28 0.00 0.00 0.00 0.00 19.45 17.42 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 -3.18 -2.49 -0.08 0.00 0.02 -1.26 -4.76 135.00 123.25 1sx4 s PRO 47 Ca 0.79 0.37 0.03 0.00 0.02 0.00 0.00 61.00 62.21 1sx4 s PRO 47 Cb -0.39 -1.41 0.01 0.00 0.02 0.00 0.00 34.50 32.73 1sx4 s PRO 47 CO 0.43 -4.64 -0.17 0.99 -0.33 0.00 0.00 177.00 173.28 1sx4 s THR 48 N -2.27 1.49 -0.20 0.99 2.01 -0.90 -4.93 115.64 111.83 1sx4 s THR 48 Ca 0.68 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1sx4 s THR 48 Cb -0.17 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1sx4 s THR 48 CO 0.60 0.43 0.05 -0.63 -0.69 0.00 0.00 174.62 174.39 1sx4 s ILE 49 N 0.57 4.53 0.05 1.82 1.01 -1.26 -1.68 121.20 126.24 1sx4 s ILE 49 Ca -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1sx4 s ILE 49 Cb -0.17 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1sx4 s ILE 49 CO 0.05 0.42 0.05 0.28 0.00 0.00 0.00 174.94 175.75 1sx4 s THR 50 N 0.76 0.16 -0.36 2.92 -1.32 -0.77 -4.38 115.64 112.63 1sx4 s THR 50 Ca 0.03 -1.31 0.15 0.00 -1.21 0.00 0.00 61.69 59.35 1sx4 s THR 50 Cb -0.14 -1.07 0.48 0.00 -1.51 0.00 0.00 72.50 70.26 1sx4 s THR 50 CO 0.02 -0.72 1.38 1.17 -2.21 0.00 0.00 174.62 174.26 1sx4 n LYS 51 N 0.56 2.93 -3.96 7.08 4.81 -1.26 -0.84 118.16 127.47 1sx4 n LYS 51 Ca -0.18 -2.65 -0.34 0.00 -0.87 0.00 0.00 58.31 54.28 1sx4 n LYS 51 Cb 0.59 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.80 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 -1.69 4.50 0.25 3.14 2.15 -1.26 -4.92 116.67 118.84 1sx4 s ASP 52 Ca 0.37 -1.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 1sx4 s ASP 52 Cb 0.29 -1.66 0.52 0.00 -0.30 0.00 0.00 42.92 41.77 1sx4 s ASP 52 CO 0.11 -0.18 1.69 1.23 -0.17 0.00 0.00 175.17 177.84 1sx4 h GLY 53 N 7.97 1.14 2.00 2.66 0.00 -1.92 0.78 103.07 115.70 1sx4 h GLY 53 Ca -0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1sx4 h GLY 53 CO 0.54 -0.21 -0.22 -0.24 0.00 0.00 0.00 176.54 176.41 1sx4 h VAL 54 N 0.30 0.74 -0.17 4.60 3.04 -1.87 0.21 116.25 123.10 1sx4 h VAL 54 Ca 0.45 -0.93 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1sx4 h VAL 54 Cb 0.78 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1sx4 h VAL 54 CO -0.52 0.22 -0.04 0.28 -1.01 0.00 0.00 177.57 176.50 1sx4 h SER 55 N 0.00 0.33 -0.44 3.17 0.02 -1.25 -2.78 113.55 112.59 1sx4 h SER 55 Ca -0.00 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 1sx4 h SER 55 Cb 0.56 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1sx4 h SER 55 CO 0.03 0.63 0.09 0.58 -1.14 0.00 0.00 176.83 177.01 1sx4 h VAL 56 N 0.04 1.24 -0.32 2.27 2.07 -1.31 -3.28 116.25 116.96 1sx4 h VAL 56 Ca 0.04 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1sx4 h VAL 56 Cb 0.48 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1sx4 h VAL 56 CO 0.02 0.30 0.01 0.00 0.02 0.00 0.00 177.57 177.92 1sx4 h ALA 57 N 0.95 0.43 -0.55 1.67 0.00 -0.41 -1.24 119.26 120.12 1sx4 h ALA 57 Ca 0.14 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 57 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sx4 h ALA 57 CO 0.01 0.17 0.69 0.00 0.00 0.00 0.00 179.25 180.12 1sx4 h ARG 58 N 0.37 0.00 0.00 0.00 2.47 -1.56 -1.67 114.38 114.00 1sx4 h ARG 58 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1sx4 h ARG 58 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1sx4 h ARG 58 CO 0.01 0.00 -0.07 0.93 0.56 0.00 0.00 179.97 181.40 1sx4 h GLU 59 N 0.00 0.00 -6.00 0.04 4.39 -1.28 -3.46 114.58 108.28 1sx4 h GLU 59 Ca 0.26 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.38 1sx4 h GLU 59 Cb 1.63 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.22 1sx4 h GLU 59 CO -0.00 0.00 0.54 0.42 -1.16 0.00 0.00 179.01 178.81 1sx4 s ILE 60 N -3.17 4.80 -0.06 3.13 -1.09 -0.63 -4.99 121.20 119.20 1sx4 s ILE 60 Ca 0.08 1.79 -0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1sx4 s ILE 60 Cb 0.08 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1sx4 s ILE 60 CO 0.65 -0.05 0.13 -0.70 -1.23 0.00 0.00 174.94 173.74 1sx4 s GLU 61 N 2.53 0.09 0.24 2.79 2.12 -1.26 -4.82 118.70 120.39 1sx4 s GLU 61 Ca 0.41 0.31 0.09 0.00 0.36 0.00 0.00 54.97 56.14 1sx4 s GLU 61 Cb -0.16 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 1sx4 s GLU 61 CO 0.11 -0.13 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.18 1sx4 s LEU 62 N 0.93 3.21 0.01 2.70 1.02 -1.26 -5.03 118.68 120.25 1sx4 s LEU 62 Ca -0.07 -0.58 -0.17 0.00 0.02 0.00 0.00 54.13 53.33 1sx4 s LEU 62 Cb -0.09 -1.77 -0.35 0.00 0.02 0.00 0.00 46.19 44.00 1sx4 s LEU 62 CO -0.04 0.03 0.96 -0.08 0.02 0.00 0.00 176.35 177.23 1sx4 h GLU 63 N 2.13 0.48 -6.24 1.70 4.81 -2.00 -3.42 114.58 112.04 1sx4 h GLU 63 Ca -0.45 -0.82 -0.55 0.00 -0.13 0.00 0.00 59.36 57.40 1sx4 h GLU 63 Cb 1.24 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.92 1sx4 h GLU 63 CO 0.59 1.39 1.24 0.34 -0.73 0.00 0.00 179.01 181.85 1sx4 s ASP 64 N -7.43 6.25 0.53 1.04 2.15 -1.26 -4.87 116.67 113.08 1sx4 s ASP 64 Ca -0.10 2.19 0.22 0.00 0.43 0.00 0.00 52.55 55.28 1sx4 s ASP 64 Cb 0.03 -2.53 1.36 0.00 -0.30 0.00 0.00 42.92 41.48 1sx4 s ASP 64 CO 0.92 -1.28 2.06 0.11 -0.17 0.00 0.00 175.17 176.81 1sx4 h LYS 65 N 11.43 0.00 0.15 4.34 1.79 -1.91 0.27 116.57 132.64 1sx4 h LYS 65 Ca -0.42 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.82 1sx4 h LYS 65 Cb 1.21 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.88 1sx4 h LYS 65 CO 0.96 0.00 -0.98 0.74 -1.08 0.00 0.00 179.45 179.09 1sx4 h PHE 66 N 0.00 0.71 -0.85 -1.35 0.04 -1.94 -2.66 116.94 110.89 1sx4 h PHE 66 Ca 0.14 -0.49 0.01 0.00 2.80 0.00 0.00 57.97 60.43 1sx4 h PHE 66 Cb 0.59 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 1sx4 h PHE 66 CO 0.00 1.36 0.56 0.93 -0.60 0.00 0.00 178.31 180.56 1sx4 h GLU 67 N -0.15 1.13 -0.78 1.51 5.08 -1.47 -2.18 114.58 117.72 1sx4 h GLU 67 Ca -0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1sx4 h GLU 67 Cb 1.75 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 1sx4 h GLU 67 CO 0.19 0.75 0.41 -0.97 -1.00 0.00 0.00 179.01 178.39 1sx4 h ASN 68 N 1.16 0.99 -0.47 1.42 -1.24 -0.45 -2.14 115.58 114.85 1sx4 h ASN 68 Ca 0.31 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1sx4 h ASN 68 Cb -0.12 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.65 1sx4 h ASN 68 CO -0.07 0.82 0.15 0.24 -1.29 0.00 0.00 177.43 177.28 1sx4 h MET 69 N 1.08 0.79 -0.06 6.67 2.86 -1.04 0.46 114.93 125.70 1sx4 h MET 69 Ca 0.27 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1sx4 h MET 69 Cb 0.06 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1sx4 h MET 69 CO -0.04 0.70 -0.17 0.78 1.06 0.00 0.00 176.91 179.24 1sx4 h GLY 70 N 0.94 -0.17 1.51 8.32 0.00 -1.14 -2.41 103.07 110.12 1sx4 h GLY 70 Ca 0.17 0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 1sx4 h GLY 70 CO -0.01 -0.16 -0.53 0.00 0.00 0.00 0.00 176.54 175.85 1sx4 h ALA 71 N 0.73 0.74 0.00 3.60 0.00 -0.34 -2.09 119.26 121.90 1sx4 h ALA 71 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1sx4 h ALA 71 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sx4 h ALA 71 CO -0.20 0.68 0.00 1.04 0.00 0.00 0.00 179.25 180.77 1sx4 n GLN 72 N -3.96 0.11 -0.06 0.00 1.13 0.14 -1.58 117.38 113.15 1sx4 n GLN 72 Ca -0.03 0.28 -0.03 0.00 -1.94 0.00 0.00 57.00 55.28 1sx4 n GLN 72 Cb 0.59 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 1sx4 n GLN 72 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1sx4 h MET 73 N 0.00 0.00 -0.09 -1.09 2.86 -0.87 -3.35 114.93 112.38 1sx4 h MET 73 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1sx4 h MET 73 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1sx4 h MET 73 CO 0.00 0.00 0.11 -0.39 1.06 0.00 0.00 176.91 177.69 1sx4 h VAL 74 N -0.95 0.47 -0.01 -2.22 -1.51 -1.50 0.23 116.25 110.77 1sx4 h VAL 74 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1sx4 h VAL 74 Cb 0.37 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1sx4 h VAL 74 CO 0.00 0.00 0.13 0.50 -1.23 0.00 0.00 177.57 176.97 1sx4 h LYS 75 N 0.00 0.00 -0.00 5.19 3.64 -1.43 -1.13 116.57 122.84 1sx4 h LYS 75 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sx4 h LYS 75 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1sx4 h LYS 75 CO -0.00 0.00 -0.16 -1.91 -2.27 0.00 0.00 179.45 175.10 1sx4 n GLU 76 N -3.06 0.06 -0.03 1.90 2.13 0.80 -1.53 120.64 120.91 1sx4 n GLU 76 Ca -0.02 -0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.63 1sx4 n GLU 76 Cb 0.19 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.29 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 0.04 1.53 -0.47 6.31 -1.51 -1.36 -1.03 116.25 119.75 1sx4 h VAL 77 Ca 0.00 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.61 1sx4 h VAL 77 Cb 0.48 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.29 1sx4 h VAL 77 CO 0.00 0.50 0.21 0.00 -1.23 0.00 0.00 177.57 177.05 1sx4 h ALA 78 N 0.30 1.48 -0.01 5.19 0.00 -1.60 -0.49 119.26 124.14 1sx4 h ALA 78 Ca -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1sx4 h ALA 78 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sx4 h ALA 78 CO 0.04 0.41 -0.88 1.03 0.00 0.00 0.00 179.25 179.85 1sx4 h SER 79 N 0.67 0.37 0.11 0.00 0.87 -1.12 -3.14 113.55 111.30 1sx4 h SER 79 Ca 0.17 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.29 1sx4 h SER 79 Cb 0.10 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1sx4 h SER 79 CO -0.02 1.08 -0.66 0.50 -0.53 0.00 0.00 176.83 177.20 1sx4 h LYS 80 N 0.16 0.25 -1.06 2.24 3.11 -0.63 -2.82 116.57 117.83 1sx4 h LYS 80 Ca -0.05 -0.42 0.42 0.00 -2.81 0.00 0.00 60.65 57.78 1sx4 h LYS 80 Cb 1.50 0.15 -0.17 0.00 -1.00 0.00 0.00 32.23 32.71 1sx4 h LYS 80 CO 0.14 1.19 0.60 0.00 -2.81 0.00 0.00 179.45 178.57 1sx4 h ALA 81 N 0.08 2.25 0.14 5.00 0.00 -1.21 -1.26 119.26 124.27 1sx4 h ALA 81 Ca -0.11 0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 81 Cb 1.51 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1sx4 h ALA 81 CO 0.12 -1.00 -1.42 -0.97 0.00 0.00 0.00 179.25 175.98 1sx4 h ASN 82 N 0.04 0.47 0.96 0.00 -0.73 -1.45 -2.65 115.58 112.22 1sx4 h ASN 82 Ca 0.84 -0.57 -0.04 0.00 1.87 0.00 0.00 56.30 58.40 1sx4 h ASN 82 Cb 2.27 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 40.70 1sx4 h ASN 82 CO -0.70 1.46 -0.20 0.44 -0.37 0.00 0.00 177.43 178.06 1sx4 h ASP 83 N 0.08 0.00 0.16 1.15 3.32 -1.14 0.56 116.42 120.56 1sx4 h ASP 83 Ca -0.21 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.60 1sx4 h ASP 83 Cb 2.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.59 1sx4 h ASP 83 CO 0.19 0.20 -1.12 0.00 -1.72 0.00 0.00 179.24 176.79 1sx4 h ALA 84 N 1.80 -0.05 0.00 3.45 0.00 -1.22 -3.42 119.26 119.83 1sx4 h ALA 84 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1sx4 h ALA 84 Cb 0.73 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 84 CO 0.03 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1sx4 n ALA 85 N -2.75 0.89 -3.77 0.00 0.00 -1.00 -5.01 120.51 108.86 1sx4 n ALA 85 Ca -0.17 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1sx4 n ALA 85 Cb 0.91 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.45 3.51 0.00 0.00 0.20 -4.42 105.19 104.03 1sx4 n GLY 86 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.84 -0.44 0.00 1.61 -1.08 -1.26 -4.70 116.67 107.96 1sx4 s ASP 87 Ca 0.54 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.49 1sx4 s ASP 87 Cb -0.31 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 41.68 1sx4 s ASP 87 CO 0.66 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1sx4 n GLY 88 N -0.34 0.71 0.37 2.66 0.00 -1.26 -4.71 105.19 102.61 1sx4 n GLY 88 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.84 -0.39 2.61 1.35 -1.88 0.44 112.91 115.89 1sx4 h THR 89 Ca 0.00 -0.25 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 1sx4 h THR 89 Cb 0.00 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.45 1sx4 h THR 89 CO 0.00 0.13 -0.35 0.74 -0.25 0.00 0.00 175.52 175.80 1sx4 h THR 90 N 0.74 1.27 0.46 6.82 2.02 -1.91 -1.45 112.91 120.87 1sx4 h THR 90 Ca 0.46 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1sx4 h THR 90 Cb 0.70 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1sx4 h THR 90 CO -0.22 0.51 -0.26 0.74 0.37 0.00 0.00 175.52 176.65 1sx4 h THR 91 N 0.73 0.00 -0.58 3.16 2.02 -1.73 0.27 112.91 116.77 1sx4 h THR 91 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1sx4 h THR 91 Cb 0.94 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1sx4 h THR 91 CO 0.09 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 175.63 1sx4 n ALA 92 N -2.42 -0.37 -0.22 6.16 0.00 0.06 0.28 120.51 123.99 1sx4 n ALA 92 Ca -0.08 0.50 0.03 0.00 0.00 0.00 0.00 53.44 53.88 1sx4 n ALA 92 Cb 0.28 -0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.86 1sx4 n ALA 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sx4 h THR 93 N 0.00 0.50 -0.61 0.00 2.02 -0.63 0.11 112.91 114.30 1sx4 h THR 93 Ca 0.09 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1sx4 h THR 93 Cb 0.24 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1sx4 h THR 93 CO -0.55 0.03 0.40 0.58 0.37 0.00 0.00 175.52 176.35 1sx4 h VAL 94 N 0.18 1.14 -0.39 3.16 2.07 0.19 0.68 116.25 123.30 1sx4 h VAL 94 Ca 0.36 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1sx4 h VAL 94 Cb 0.60 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1sx4 h VAL 94 CO -0.52 0.15 0.11 -0.07 0.02 0.00 0.00 177.57 177.25 1sx4 h LEU 95 N 0.81 0.52 0.02 2.57 3.38 0.19 -2.47 115.31 120.33 1sx4 h LEU 95 Ca 0.23 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 1sx4 h LEU 95 Cb -0.08 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.56 1sx4 h LEU 95 CO -0.06 0.51 -0.89 0.00 0.09 0.00 0.00 178.44 178.10 1sx4 h ALA 96 N 1.56 0.08 -0.10 1.53 0.00 -0.26 0.16 119.26 122.23 1sx4 h ALA 96 Ca 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1sx4 h ALA 96 Cb 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sx4 h ALA 96 CO -0.01 0.54 0.10 -0.56 0.00 0.00 0.00 179.25 179.32 1sx4 h GLN 97 N 0.15 0.00 0.00 0.00 -0.00 -0.78 -0.13 115.11 114.35 1sx4 h GLN 97 Ca -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.47 1sx4 h GLN 97 Cb 1.57 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.05 1sx4 h GLN 97 CO 0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 178.83 178.60 1sx4 h ALA 98 N 1.90 0.07 -0.50 0.06 0.00 -1.03 -0.60 119.26 119.16 1sx4 h ALA 98 Ca 0.05 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.46 1sx4 h ALA 98 Cb 0.25 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1sx4 h ALA 98 CO -0.00 0.26 -0.04 0.82 0.00 0.00 0.00 179.25 180.29 1sx4 h ILE 99 N -1.00 0.57 -0.32 0.00 2.04 -0.15 -2.24 117.51 116.41 1sx4 h ILE 99 Ca -0.09 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1sx4 h ILE 99 Cb 0.82 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1sx4 h ILE 99 CO -0.06 0.01 0.19 0.40 0.00 0.00 0.00 178.15 178.70 1sx4 h ILE 100 N 0.08 1.11 0.31 -0.67 2.04 -1.12 0.34 117.51 119.59 1sx4 h ILE 100 Ca 0.25 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sx4 h ILE 100 Cb 0.39 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1sx4 h ILE 100 CO -0.45 0.11 -0.51 0.74 0.00 0.00 0.00 178.15 178.03 1sx4 h THR 101 N 0.41 0.02 -0.37 -0.27 2.02 -0.79 -1.32 112.91 112.60 1sx4 h THR 101 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1sx4 h THR 101 Cb 0.01 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 1sx4 h THR 101 CO -0.02 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 175.64 1sx4 h GLU 102 N -0.88 0.59 -0.00 6.66 4.39 -1.31 -2.74 114.58 121.30 1sx4 h GLU 102 Ca -0.03 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1sx4 h GLU 102 Cb 0.82 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1sx4 h GLU 102 CO -0.18 0.62 -0.25 0.78 -1.16 0.00 0.00 179.01 178.82 1sx4 h GLY 103 N 0.45 -0.37 0.83 -3.84 0.00 -0.19 -2.13 103.07 97.82 1sx4 h GLY 103 Ca 0.12 0.30 0.14 0.00 0.00 0.00 0.00 47.33 47.89 1sx4 h GLY 103 CO -0.00 -0.21 0.44 1.41 0.00 0.00 0.00 176.54 178.18 1sx4 h LEU 104 N -0.39 0.23 -0.89 3.11 3.38 -1.09 0.20 115.31 119.86 1sx4 h LEU 104 Ca 0.06 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1sx4 h LEU 104 Cb 0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1sx4 h LEU 104 CO -0.22 0.12 -0.44 0.50 0.09 0.00 0.00 178.44 178.49 1sx4 h LYS 105 N 0.25 0.00 0.00 1.13 3.64 -1.10 -0.69 116.57 119.79 1sx4 h LYS 105 Ca 0.31 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1sx4 h LYS 105 Cb 0.88 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1sx4 h LYS 105 CO -0.07 0.44 -0.61 0.00 -2.27 0.00 0.00 179.45 176.95 1sx4 h ALA 106 N 1.56 0.72 -0.20 5.00 0.00 -0.18 -2.78 119.26 123.38 1sx4 h ALA 106 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1sx4 h ALA 106 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sx4 h ALA 106 CO 0.06 0.49 -0.48 0.28 0.00 0.00 0.00 179.25 179.60 1sx4 h VAL 107 N 0.00 1.32 0.00 0.00 2.07 -0.10 -2.19 116.25 117.35 1sx4 h VAL 107 Ca -0.03 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1sx4 h VAL 107 Cb 1.30 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1sx4 h VAL 107 CO 0.04 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.16 1sx4 h ALA 108 N 1.07 1.00 0.00 1.67 0.00 -1.09 -1.53 119.26 120.38 1sx4 h ALA 108 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 108 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sx4 h ALA 108 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1sx4 n ALA 109 N -2.05 2.33 0.00 0.00 0.00 -0.84 -4.90 120.51 115.05 1sx4 n ALA 109 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sx4 n ALA 109 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1sx4 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 110 N 1.45 1.02 3.80 0.00 0.00 -0.57 -5.09 105.19 105.80 1sx4 n GLY 110 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.30 4.00 -0.37 1.61 -1.94 -1.09 -4.99 119.30 116.22 1sx4 s MET 111 Ca 0.00 1.30 -0.29 0.00 -1.71 0.00 0.00 55.69 54.99 1sx4 s MET 111 Cb 0.00 -2.19 0.02 0.00 2.01 0.00 0.00 34.83 34.67 1sx4 s MET 111 CO 0.00 -0.25 1.14 1.21 -0.01 0.00 0.00 175.02 177.11 1sx4 s ASN 112 N -1.99 6.78 0.32 3.03 2.47 -1.26 -4.64 114.94 119.63 1sx4 s ASN 112 Ca 0.64 0.86 0.00 0.00 0.42 0.00 0.00 52.86 54.79 1sx4 s ASN 112 Cb -0.15 -2.55 0.53 0.00 -1.45 0.00 0.00 41.25 37.64 1sx4 s ASN 112 CO 0.18 -1.05 1.96 -0.65 -3.72 0.00 0.00 177.10 173.83 1sx4 h PRO 113 N 8.72 0.99 -0.80 0.43 0.11 -1.94 0.04 132.00 139.54 1sx4 h PRO 113 Ca -0.22 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.91 1sx4 h PRO 113 Cb 1.07 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 1sx4 h PRO 113 CO 1.07 0.65 0.52 0.52 -0.21 0.00 0.00 178.00 180.55 1sx4 h MET 114 N 1.02 0.77 -0.00 1.05 2.86 -1.93 0.11 114.93 118.81 1sx4 h MET 114 Ca 0.31 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.74 1sx4 h MET 114 Cb -0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1sx4 h MET 114 CO -0.08 0.51 -0.74 -0.44 1.06 0.00 0.00 176.91 177.21 1sx4 h ASP 115 N 0.79 0.06 -0.80 1.22 3.32 -1.41 -2.70 116.42 116.90 1sx4 h ASP 115 Ca 0.36 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1sx4 h ASP 115 Cb 0.35 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1sx4 h ASP 115 CO -0.13 0.78 0.44 -0.07 -1.72 0.00 0.00 179.24 178.54 1sx4 h LEU 116 N 0.03 0.99 0.35 1.55 3.38 -0.35 -0.06 115.31 121.20 1sx4 h LEU 116 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1sx4 h LEU 116 Cb 1.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1sx4 h LEU 116 CO 0.10 0.80 -0.18 0.50 0.09 0.00 0.00 178.44 179.75 1sx4 h LYS 117 N 1.10 -0.47 -0.63 1.13 3.64 -0.74 -1.52 116.57 119.08 1sx4 h LYS 117 Ca 0.28 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1sx4 h LYS 117 Cb 0.03 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1sx4 h LYS 117 CO -0.05 -0.32 0.20 0.00 -2.27 0.00 0.00 179.45 177.02 1sx4 h ARG 118 N -0.49 0.34 0.52 1.90 3.08 -1.07 0.11 114.38 118.77 1sx4 h ARG 118 Ca -0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1sx4 h ARG 118 Cb 0.39 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1sx4 h ARG 118 CO 0.06 0.23 -0.25 0.78 -1.07 0.00 0.00 179.97 179.72 1sx4 h GLY 119 N 0.35 -0.73 -0.76 0.04 0.00 -0.91 0.16 103.07 101.22 1sx4 h GLY 119 Ca 0.33 0.27 0.17 0.00 0.00 0.00 0.00 47.33 48.10 1sx4 h GLY 119 CO -0.36 -0.26 -0.23 -2.22 0.00 0.00 0.00 176.54 173.46 1sx4 h ILE 120 N -0.78 0.12 -0.32 2.60 2.04 -0.98 0.11 117.51 120.31 1sx4 h ILE 120 Ca -0.07 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 1sx4 h ILE 120 Cb 0.57 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1sx4 h ILE 120 CO 0.12 0.00 -0.27 0.44 0.00 0.00 0.00 178.15 178.44 1sx4 h ASP 121 N -0.01 0.79 0.38 1.72 3.32 -0.48 -1.08 116.42 121.06 1sx4 h ASP 121 Ca 0.41 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1sx4 h ASP 121 Cb 0.64 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1sx4 h ASP 121 CO -0.90 1.08 -0.39 0.50 -1.72 0.00 0.00 179.24 177.81 1sx4 h LYS 122 N 0.52 -0.76 -0.82 3.56 3.64 -0.18 0.70 116.57 123.22 1sx4 h LYS 122 Ca 0.06 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 1sx4 h LYS 122 Cb 0.84 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 1sx4 h LYS 122 CO 0.07 -0.51 -0.36 0.00 -2.27 0.00 0.00 179.45 176.38 1sx4 n ALA 123 N -2.69 -0.20 -0.07 5.00 0.00 0.35 -1.93 120.51 120.97 1sx4 n ALA 123 Ca -0.10 0.79 -0.11 0.00 0.00 0.00 0.00 53.44 54.03 1sx4 n ALA 123 Cb 0.39 -0.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1sx4 n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sx4 h VAL 124 N 0.00 1.19 -0.31 0.00 2.07 -0.52 -1.25 116.25 117.43 1sx4 h VAL 124 Ca 0.25 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1sx4 h VAL 124 Cb 0.46 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1sx4 h VAL 124 CO -0.81 0.20 0.22 0.74 0.02 0.00 0.00 177.57 177.94 1sx4 h THR 125 N 0.20 0.88 -0.04 2.57 2.02 -0.20 0.11 112.91 118.45 1sx4 h THR 125 Ca 0.07 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 1sx4 h THR 125 Cb 0.24 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1sx4 h THR 125 CO -0.00 0.01 -0.42 0.00 0.37 0.00 0.00 175.52 175.48 1sx4 h ALA 126 N 1.84 0.10 -0.83 6.16 0.00 -1.11 -3.05 119.26 122.37 1sx4 h ALA 126 Ca 0.15 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1sx4 h ALA 126 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1sx4 h ALA 126 CO -0.01 0.25 0.40 0.00 0.00 0.00 0.00 179.25 179.89 1sx4 h ALA 127 N 0.37 1.13 -0.57 0.00 0.00 0.33 -1.93 119.26 118.60 1sx4 h ALA 127 Ca -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1sx4 h ALA 127 Cb 1.11 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1sx4 h ALA 127 CO 0.09 0.66 0.34 0.28 0.00 0.00 0.00 179.25 180.61 1sx4 h VAL 128 N 1.19 1.05 -0.26 0.00 2.07 -0.93 0.31 116.25 119.68 1sx4 h VAL 128 Ca 0.29 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1sx4 h VAL 128 Cb 0.12 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1sx4 h VAL 128 CO -0.04 0.12 0.09 -0.33 0.02 0.00 0.00 177.57 177.43 1sx4 h GLU 129 N 0.67 0.20 0.03 1.57 4.39 -1.38 -1.37 114.58 118.69 1sx4 h GLU 129 Ca 0.23 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.95 1sx4 h GLU 129 Cb 0.04 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1sx4 h GLU 129 CO -0.11 0.13 -0.31 0.93 -1.16 0.00 0.00 179.01 178.49 1sx4 h GLU 130 N 0.20 -0.46 -0.67 2.33 4.39 -0.51 -0.70 114.58 119.16 1sx4 h GLU 130 Ca 0.11 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.95 1sx4 h GLU 130 Cb 0.08 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 28.72 1sx4 h GLU 130 CO -0.12 -0.31 -0.42 -0.07 -1.16 0.00 0.00 179.01 176.94 1sx4 h LEU 131 N -0.48 -1.45 -2.65 1.33 3.38 -0.88 -0.01 115.31 114.56 1sx4 h LEU 131 Ca 0.05 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1sx4 h LEU 131 Cb 0.55 0.69 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1sx4 h LEU 131 CO -0.24 -0.32 0.05 0.11 0.09 0.00 0.00 178.44 178.13 1sx4 h LYS 132 N -0.17 0.00 0.11 1.13 1.57 -0.01 0.17 116.57 119.37 1sx4 h LYS 132 Ca 0.21 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 1sx4 h LYS 132 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1sx4 h LYS 132 CO -0.75 0.00 -1.19 0.00 -0.57 0.00 0.00 179.45 176.94 1sx4 h ALA 133 N 1.93 0.14 0.00 3.86 0.00 0.27 -3.29 119.26 122.17 1sx4 h ALA 133 Ca 0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 54.91 53.87 1sx4 h ALA 133 Cb 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1sx4 h ALA 133 CO -0.00 0.96 -0.88 -0.07 0.00 0.00 0.00 179.25 179.26 1sx4 h LEU 134 N 0.09 0.00 -9.34 0.00 4.07 0.44 -3.46 115.31 107.11 1sx4 h LEU 134 Ca -0.12 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.19 1sx4 h LEU 134 Cb 1.91 0.00 0.05 0.00 1.08 0.00 0.00 40.66 43.70 1sx4 h LEU 134 CO 0.20 0.88 0.67 -0.24 -1.08 0.00 0.00 178.44 178.86 1sx4 n SER 135 N -3.42 2.37 -4.39 -0.43 2.88 -0.33 -4.85 113.62 105.44 1sx4 n SER 135 Ca -0.00 1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 58.33 1sx4 n SER 135 Cb 0.86 -1.28 -0.14 0.00 -0.75 0.00 0.00 64.21 62.89 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 1.18 2.42 0.46 2.46 -7.23 -1.02 -4.91 120.40 113.76 1sx4 s VAL 136 Ca 0.84 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 1sx4 s VAL 136 Cb -0.85 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1sx4 s VAL 136 CO 0.46 0.37 1.43 -2.84 -0.31 0.00 0.00 175.10 174.20 1sx4 s PRO 137 N -1.29 3.61 -0.35 4.82 0.02 -1.26 -2.17 135.00 138.38 1sx4 s PRO 137 Ca 0.13 2.41 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 1sx4 s PRO 137 Cb -0.10 -2.61 0.06 0.00 0.02 0.00 0.00 34.50 31.87 1sx4 s PRO 137 CO 0.03 -0.88 0.11 0.00 -0.33 0.00 0.00 177.00 175.93 1sx4 n SER 139 N 4.73 0.00 -4.89 0.00 3.41 -1.26 -4.44 113.62 111.18 1sx4 n SER 139 Ca -0.11 -0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.12 1sx4 n SER 139 Cb 0.43 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.10 6.01 0.36 4.04 1.47 -1.26 -4.99 116.67 122.20 1sx4 s ASP 140 Ca 0.00 1.10 0.06 0.00 1.18 0.00 0.00 52.55 54.90 1sx4 s ASP 140 Cb 0.00 -2.19 0.67 0.00 -0.34 0.00 0.00 42.92 41.06 1sx4 s ASP 140 CO 0.00 -0.88 1.89 0.28 0.68 0.00 0.00 175.17 177.14 1sx4 h SER 141 N -0.18 0.39 -0.10 2.11 0.02 -1.98 -2.94 113.55 110.89 1sx4 h SER 141 Ca -0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1sx4 h SER 141 Cb 1.22 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1sx4 h SER 141 CO 0.62 0.49 0.04 0.50 -1.14 0.00 0.00 176.83 177.34 1sx4 h LYS 142 N 0.40 0.15 0.40 3.45 3.64 -1.98 -0.84 116.57 121.79 1sx4 h LYS 142 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1sx4 h LYS 142 Cb 0.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1sx4 h LYS 142 CO 0.01 0.26 -0.19 0.00 -2.27 0.00 0.00 179.45 177.26 1sx4 h ALA 143 N 0.88 -0.54 -0.99 5.00 0.00 -1.95 -1.72 119.26 119.94 1sx4 h ALA 143 Ca 0.03 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.03 1sx4 h ALA 143 Cb 0.17 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 17.98 1sx4 h ALA 143 CO -0.00 -0.76 -0.14 -0.89 0.00 0.00 0.00 179.25 177.46 1sx4 n ILE 144 N -5.29 -0.42 -0.23 0.00 5.41 -1.12 0.25 119.36 117.97 1sx4 n ILE 144 Ca -0.11 2.24 0.00 0.00 1.00 0.00 0.00 62.75 65.88 1sx4 n ILE 144 Cb 0.25 -3.17 0.23 0.00 -0.71 0.00 0.00 39.64 36.24 1sx4 n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sx4 h ALA 145 N 1.99 1.43 -0.19 -1.39 0.00 -0.60 -1.43 119.26 119.08 1sx4 h ALA 145 Ca 0.53 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 1sx4 h ALA 145 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sx4 h ALA 145 CO -0.99 0.52 -0.42 1.96 0.00 0.00 0.00 179.25 180.32 1sx4 h GLN 146 N 1.05 0.45 -0.19 0.00 4.20 0.69 0.28 115.11 121.59 1sx4 h GLN 146 Ca 0.28 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1sx4 h GLN 146 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1sx4 h GLN 146 CO -0.06 0.79 -0.36 -0.39 -0.67 0.00 0.00 178.83 178.14 1sx4 h VAL 147 N 0.37 1.34 -0.38 -0.54 -1.51 -0.33 -2.04 116.25 113.15 1sx4 h VAL 147 Ca 0.03 -1.60 0.05 0.00 -1.23 0.00 0.00 66.70 63.95 1sx4 h VAL 147 Cb 0.89 1.90 -0.08 0.00 -2.13 0.00 0.00 31.29 31.87 1sx4 h VAL 147 CO 0.08 0.49 -0.55 1.23 -1.23 0.00 0.00 177.57 177.59 1sx4 h GLY 148 N 0.24 -1.04 0.32 5.19 0.00 -1.17 -0.29 103.07 106.32 1sx4 h GLY 148 Ca 0.01 0.72 0.12 0.00 0.00 0.00 0.00 47.33 48.18 1sx4 h GLY 148 CO 0.08 -0.13 0.37 -0.84 0.00 0.00 0.00 176.54 176.01 1sx4 h THR 149 N -0.41 0.77 -0.04 4.70 2.02 -0.42 0.69 112.91 120.23 1sx4 h THR 149 Ca 0.07 -0.20 -0.22 0.00 0.77 0.00 0.00 66.41 66.83 1sx4 h THR 149 Cb 0.59 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1sx4 h THR 149 CO -0.58 0.10 -0.88 -0.29 0.37 0.00 0.00 175.52 174.25 1sx4 h ILE 150 N 0.57 1.37 -0.66 3.11 6.09 -0.81 -0.69 117.51 126.49 1sx4 h ILE 150 Ca 0.40 -2.29 -0.01 0.00 -1.37 0.00 0.00 64.86 61.60 1sx4 h ILE 150 Cb 0.51 2.28 -0.03 0.00 0.47 0.00 0.00 36.82 40.05 1sx4 h ILE 150 CO -0.33 0.69 0.39 -1.28 -3.07 0.00 0.00 178.15 174.55 1sx4 h SER 151 N 0.30 0.79 -0.50 2.19 0.87 -0.35 -3.08 113.55 113.77 1sx4 h SER 151 Ca -0.07 -0.05 -0.32 0.00 -1.23 0.00 0.00 61.79 60.12 1sx4 h SER 151 Cb 1.50 -0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 63.13 1sx4 h SER 151 CO 0.16 0.61 0.40 0.00 -0.53 0.00 0.00 176.83 177.47 1sx4 n ALA 152 N -2.44 5.19 -2.84 6.23 0.00 0.17 -4.70 120.51 122.12 1sx4 n ALA 152 Ca 0.07 -1.70 -0.12 0.00 0.00 0.00 0.00 53.44 51.68 1sx4 n ALA 152 Cb 0.08 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 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 0.43 -2.46 -0.13 0.00 4.05 -1.16 -2.28 115.26 113.71 1sx4 n ASN 153 Ca 0.31 0.08 0.00 0.00 0.45 0.00 0.00 54.58 55.41 1sx4 n ASN 153 Cb 0.58 -2.14 0.00 0.00 1.23 0.00 0.00 39.78 39.45 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 -1.83 -0.73 -4.32 1.20 7.64 -0.31 -4.91 113.62 110.36 1sx4 n SER 154 Ca -0.03 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.38 1sx4 n SER 154 Cb 0.54 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.47 6.47 0.64 6.43 -1.08 -0.97 -4.90 116.67 120.79 1sx4 s ASP 155 Ca 0.00 -2.22 0.37 0.00 -0.52 0.00 0.00 52.55 50.19 1sx4 s ASP 155 Cb 0.00 -2.21 2.10 0.00 -1.46 0.00 0.00 42.92 41.34 1sx4 s ASP 155 CO 0.00 -0.73 2.26 -0.33 0.52 0.00 0.00 175.17 176.89 1sx4 h GLU 156 N 8.36 0.00 0.13 4.34 5.08 -1.91 -1.35 114.58 129.23 1sx4 h GLU 156 Ca -0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.98 1sx4 h GLU 156 Cb 1.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1sx4 h GLU 156 CO 0.90 0.00 -1.23 1.15 -1.00 0.00 0.00 179.01 178.83 1sx4 h THR 157 N 0.00 1.42 0.18 1.13 2.02 -1.96 -2.08 112.91 113.62 1sx4 h THR 157 Ca 0.01 -2.82 -0.01 0.00 0.77 0.00 0.00 66.41 64.36 1sx4 h THR 157 Cb 0.14 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1sx4 h THR 157 CO -0.00 0.83 -0.09 0.58 0.37 0.00 0.00 175.52 177.21 1sx4 h VAL 158 N 0.14 0.93 -0.92 3.16 2.07 -1.64 -1.54 116.25 118.44 1sx4 h VAL 158 Ca -0.15 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 66.76 1sx4 h VAL 158 Cb 1.93 1.34 -0.13 0.00 -1.52 0.00 0.00 31.29 32.91 1sx4 h VAL 158 CO 0.21 0.16 -0.49 1.23 0.02 0.00 0.00 177.57 178.70 1sx4 h GLY 159 N -0.61 -0.44 0.96 2.17 0.00 -1.43 0.17 103.07 103.89 1sx4 h GLY 159 Ca -0.03 0.66 0.02 0.00 0.00 0.00 0.00 47.33 47.98 1sx4 h GLY 159 CO 0.04 -0.08 0.67 1.70 0.00 0.00 0.00 176.54 178.86 1sx4 h LYS 160 N -0.05 1.30 -0.12 4.80 3.64 -1.29 -0.07 116.57 124.77 1sx4 h LYS 160 Ca 0.23 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1sx4 h LYS 160 Cb 0.51 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1sx4 h LYS 160 CO -0.91 0.86 -0.45 1.25 -2.27 0.00 0.00 179.45 177.93 1sx4 h LEU 161 N 1.33 0.61 0.16 5.20 5.85 0.29 0.30 115.31 129.06 1sx4 h LEU 161 Ca 0.38 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1sx4 h LEU 161 Cb -0.10 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 1sx4 h LEU 161 CO -0.10 1.12 -0.09 0.40 -0.34 0.00 0.00 178.44 179.43 1sx4 h ILE 162 N 0.14 0.80 -0.65 4.05 2.04 -0.73 -0.34 117.51 122.83 1sx4 h ILE 162 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1sx4 h ILE 162 Cb 1.08 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1sx4 h ILE 162 CO 0.10 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.58 1sx4 h ALA 163 N 0.60 0.87 -0.48 1.87 0.00 -0.74 0.14 119.26 121.51 1sx4 h ALA 163 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sx4 h ALA 163 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1sx4 h ALA 163 CO 0.02 -0.02 0.30 0.93 0.00 0.00 0.00 179.25 180.48 1sx4 h GLU 164 N 0.61 0.59 0.26 0.00 5.08 0.12 -2.67 114.58 118.57 1sx4 h GLU 164 Ca 0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1sx4 h GLU 164 Cb 0.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1sx4 h GLU 164 CO -0.21 0.39 -0.13 0.00 -1.00 0.00 0.00 179.01 178.06 1sx4 h ALA 165 N 1.20 -0.35 -1.42 3.43 0.00 0.17 -2.17 119.26 120.11 1sx4 h ALA 165 Ca 0.19 -0.19 0.48 0.00 0.00 0.00 0.00 54.91 55.38 1sx4 h ALA 165 Cb -0.02 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.77 1sx4 h ALA 165 CO -0.07 -0.51 0.92 0.52 0.00 0.00 0.00 179.25 180.12 1sx4 h MET 166 N -0.73 0.02 -0.08 0.00 2.86 -0.73 0.39 114.93 116.65 1sx4 h MET 166 Ca -0.04 -0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1sx4 h MET 166 Cb 0.49 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1sx4 h MET 166 CO 0.06 0.01 -0.83 0.22 1.06 0.00 0.00 176.91 177.44 1sx4 h ASP 167 N 0.02 0.87 0.03 1.22 3.58 -1.05 -3.03 116.42 118.06 1sx4 h ASP 167 Ca 0.88 -0.68 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 1sx4 h ASP 167 Cb 2.86 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 43.64 1sx4 h ASP 167 CO -0.42 1.42 -0.70 0.11 -2.88 0.00 0.00 179.24 176.76 1sx4 h LYS 168 N 0.39 0.07 0.00 0.28 1.57 0.17 -3.32 116.57 115.73 1sx4 h LYS 168 Ca -0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1sx4 h LYS 168 Cb 1.47 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1sx4 h LYS 168 CO 0.17 1.05 0.00 1.33 -0.57 0.00 0.00 179.45 181.43 1sx4 n VAL 169 N -4.40 0.94 -3.60 0.50 0.24 -0.91 -4.66 118.33 106.44 1sx4 n VAL 169 Ca -0.20 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1sx4 n VAL 169 Cb 0.64 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 0.09 -0.91 0.10 7.63 0.00 -1.14 -3.12 105.19 107.83 1sx4 n GLY 170 Ca 0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 1sx4 n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sx4 h LYS 171 N 0.00 0.00 -0.31 1.61 1.57 -1.93 -3.37 116.57 114.13 1sx4 h LYS 171 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1sx4 h LYS 171 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1sx4 h LYS 171 CO 0.00 0.38 -0.02 0.39 -0.57 0.00 0.00 179.45 179.63 1sx4 n GLU 172 N -2.99 2.31 -4.02 3.15 1.02 -1.26 -4.98 120.64 113.87 1sx4 n GLU 172 Ca -0.07 -3.00 -0.31 0.00 -0.02 0.00 0.00 57.16 53.75 1sx4 n GLU 172 Cb 0.84 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.25 2.07 0.22 0.62 0.00 -1.19 -3.53 107.32 103.26 1sx4 s GLY 173 Ca 0.43 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 1sx4 s GLY 173 CO 0.04 -0.87 0.64 0.14 0.00 0.00 0.00 173.10 173.06 1sx4 s VAL 174 N -1.36 4.75 -0.08 1.40 1.01 -1.23 -4.93 120.40 119.96 1sx4 s VAL 174 Ca 0.29 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1sx4 s VAL 174 Cb -0.12 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1sx4 s VAL 174 CO 0.21 0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 1sx4 s ILE 175 N -1.66 1.27 0.12 2.22 1.01 -1.26 -1.09 121.20 121.82 1sx4 s ILE 175 Ca 0.45 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1sx4 s ILE 175 Cb -0.14 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1sx4 s ILE 175 CO 0.20 0.39 -0.17 0.42 0.00 0.00 0.00 174.94 175.77 1sx4 s THR 176 N 0.73 1.54 -0.07 2.92 -4.23 -0.83 -5.01 115.64 110.69 1sx4 s THR 176 Ca -0.13 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 1sx4 s THR 176 Cb -0.16 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 1sx4 s THR 176 CO 0.03 -0.24 -0.14 0.68 -0.54 0.00 0.00 174.62 174.40 1sx4 s VAL 177 N -1.66 3.03 0.11 2.29 -7.23 -1.26 -0.13 120.40 115.55 1sx4 s VAL 177 Ca 0.08 -0.71 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 1sx4 s VAL 177 Cb -0.08 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 1sx4 s VAL 177 CO 0.04 0.57 0.22 -1.83 -0.31 0.00 0.00 175.10 173.79 1sx4 s GLU 178 N -0.38 0.94 0.42 4.82 -1.05 -0.75 -4.96 118.70 117.74 1sx4 s GLU 178 Ca 0.04 -1.02 -0.26 0.00 -0.15 0.00 0.00 54.97 53.59 1sx4 s GLU 178 Cb -0.12 0.36 -0.10 0.00 -0.44 0.00 0.00 34.13 33.82 1sx4 s GLU 178 CO 0.02 -0.32 1.33 -0.25 0.95 0.00 0.00 175.26 177.00 1sx4 n ASP 179 N -0.11 2.86 -4.98 0.83 8.00 -1.26 -3.02 116.55 118.86 1sx4 n ASP 179 Ca -0.13 1.13 -0.20 0.00 0.71 0.00 0.00 54.79 56.30 1sx4 n ASP 179 Cb 0.63 -1.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.21 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 -0.47 1.82 -0.18 0.44 0.00 -0.65 -4.76 107.32 103.52 1sx4 s GLY 180 Ca 0.60 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.68 1sx4 s GLY 180 CO 0.59 -1.19 0.37 -0.91 0.00 0.00 0.00 173.10 171.95 1sx4 h THR 181 N 0.34 1.12 -0.47 0.90 1.35 -1.91 -3.47 112.91 110.77 1sx4 h THR 181 Ca -0.42 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 1sx4 h THR 181 Cb 1.28 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1sx4 h THR 181 CO 0.50 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1sx4 n GLY 182 N 1.51 1.57 0.07 5.82 0.00 -1.26 -4.98 105.19 107.91 1sx4 n GLY 182 Ca -0.27 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 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 0.10 -4.90 0.99 4.77 -1.26 -3.17 117.00 113.54 1sx4 n LEU 183 Ca 0.00 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 1sx4 n LEU 183 Cb 0.00 0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1sx4 n LEU 183 CO 0.00 0.28 -0.12 -1.10 -1.33 0.00 0.00 177.39 175.12 1sx4 s GLN 184 N -2.90 3.49 0.59 3.23 1.11 -1.26 -3.57 119.66 120.35 1sx4 s GLN 184 Ca -0.08 -0.22 -0.19 0.00 0.01 0.00 0.00 55.36 54.88 1sx4 s GLN 184 Cb 0.09 -3.09 -0.04 0.00 -1.01 0.00 0.00 33.01 28.96 1sx4 s GLN 184 CO 0.86 0.67 1.21 -0.51 0.01 0.00 0.00 175.29 177.53 1sx4 s ASP 185 N -1.80 5.23 -0.10 5.90 1.01 -1.26 -4.15 116.67 121.49 1sx4 s ASP 185 Ca 0.27 2.41 -0.07 0.00 0.71 0.00 0.00 52.55 55.87 1sx4 s ASP 185 Cb -0.13 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.24 1sx4 s ASP 185 CO 0.17 -1.57 0.25 -0.70 0.21 0.00 0.00 175.17 173.53 1sx4 s GLU 186 N -3.28 0.24 -0.26 8.23 2.12 -0.11 -4.96 118.70 120.68 1sx4 s GLU 186 Ca 0.77 0.47 -0.05 0.00 0.36 0.00 0.00 54.97 56.52 1sx4 s GLU 186 Cb -0.31 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.06 1sx4 s GLU 186 CO 0.34 -0.12 0.03 -1.17 -0.54 0.00 0.00 175.26 173.80 1sx4 s LEU 187 N 0.85 3.45 -0.10 2.70 2.96 -1.26 -0.24 118.68 127.04 1sx4 s LEU 187 Ca -0.06 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 1sx4 s LEU 187 Cb -0.07 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1sx4 s LEU 187 CO -0.05 -0.12 0.28 -1.81 -1.32 0.00 0.00 176.35 173.33 1sx4 s ASP 188 N 1.48 6.54 -0.16 3.68 1.01 -0.43 -5.00 116.67 123.79 1sx4 s ASP 188 Ca 0.03 0.64 -0.01 0.00 0.71 0.00 0.00 52.55 53.92 1sx4 s ASP 188 Cb -0.16 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.65 1sx4 s ASP 188 CO 0.00 0.27 -0.02 -0.69 0.21 0.00 0.00 175.17 174.94 1sx4 s VAL 189 N -0.52 0.84 -0.06 -1.27 1.01 -1.26 -0.82 120.40 118.31 1sx4 s VAL 189 Ca 0.18 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1sx4 s VAL 189 Cb -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1sx4 s VAL 189 CO 0.07 0.06 0.74 -0.69 0.00 0.00 0.00 175.10 175.28 1sx4 s VAL 190 N 1.75 5.02 -0.26 2.92 1.01 -0.32 -5.01 120.40 125.51 1sx4 s VAL 190 Ca 0.01 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 1sx4 s VAL 190 Cb -0.15 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1sx4 s VAL 190 CO -0.07 0.23 0.78 -1.61 0.00 0.00 0.00 175.10 174.43 1sx4 s GLU 191 N 0.88 4.12 5.66 2.72 0.41 -1.26 -3.47 118.70 127.75 1sx4 s GLU 191 Ca 0.39 0.78 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 1sx4 s GLU 191 Cb -0.18 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.51 1sx4 s GLU 191 CO 0.19 -0.53 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 1sx4 n GLY 192 N 3.93 1.75 3.73 -1.39 0.00 -1.26 -4.84 105.19 107.12 1sx4 n GLY 192 Ca 0.04 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 4.20 -0.25 1.61 -2.45 -1.23 -4.69 119.30 116.50 1sx4 s MET 193 Ca 0.00 -0.11 -0.26 0.00 -1.25 0.00 0.00 55.69 54.07 1sx4 s MET 193 Cb 0.00 -3.42 0.10 0.00 1.25 0.00 0.00 34.83 32.77 1sx4 s MET 193 CO 0.00 0.29 0.90 -1.14 1.05 0.00 0.00 175.02 176.12 1sx4 s GLN 194 N 0.37 0.66 0.34 4.11 0.74 -1.26 -2.38 119.66 122.23 1sx4 s GLN 194 Ca 0.11 0.64 0.06 0.00 0.05 0.00 0.00 55.36 56.22 1sx4 s GLN 194 Cb -0.12 0.32 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 1sx4 s GLN 194 CO 0.00 -0.11 0.22 1.97 -0.55 0.00 0.00 175.29 176.82 1sx4 n PHE 195 N 2.08 -0.45 -1.03 1.67 -1.74 -0.48 -5.01 117.46 112.50 1sx4 n PHE 195 Ca -0.13 -2.57 -0.19 0.00 -0.56 0.00 0.00 57.45 54.00 1sx4 n PHE 195 Cb 0.56 0.18 0.01 0.00 1.52 0.00 0.00 39.48 41.75 1sx4 n PHE 195 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1sx4 n ASP 196 N -1.70 6.43 -4.02 5.98 8.00 -1.26 -2.44 116.55 127.54 1sx4 n ASP 196 Ca 0.03 -3.07 -0.26 0.00 0.71 0.00 0.00 54.79 52.20 1sx4 n ASP 196 Cb 0.57 -1.11 -0.17 0.00 -0.02 0.00 0.00 41.12 40.39 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 1.78 0.45 -1.24 1.81 -1.12 -4.64 118.95 114.30 1sx4 s ARG 197 Ca 0.38 -0.42 0.03 0.00 -1.72 0.00 0.00 55.73 54.00 1sx4 s ARG 197 Cb 0.27 -1.52 0.01 0.00 -0.45 0.00 0.00 34.95 33.26 1sx4 s ARG 197 CO -0.05 -0.02 0.64 0.20 -0.68 0.00 0.00 175.30 175.38 1sx4 s GLY 198 N 0.84 1.69 0.64 -3.53 0.00 -1.24 -0.19 107.32 105.52 1sx4 s GLY 198 Ca -0.11 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.14 1sx4 s GLY 198 CO 0.02 -1.11 0.64 1.58 0.00 0.00 0.00 173.10 174.22 1sx4 n TYR 199 N -2.02 -0.35 0.45 1.90 0.18 -1.09 -4.26 117.16 111.97 1sx4 n TYR 199 Ca 0.03 0.40 0.12 0.00 1.88 0.00 0.00 57.90 60.34 1sx4 n TYR 199 Cb 0.58 -1.98 0.13 0.00 -0.38 0.00 0.00 39.34 37.69 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 0.03 0.00 -7.46 -3.48 3.38 -1.59 -3.44 115.31 102.75 1sx4 h LEU 200 Ca -0.46 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.13 1sx4 h LEU 200 Cb 1.37 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.82 1sx4 h LEU 200 CO 0.46 0.08 -0.57 -0.94 0.09 0.00 0.00 178.44 177.56 1sx4 s SER 201 N -4.56 -0.14 0.00 -0.43 1.04 -1.26 -5.02 113.70 103.33 1sx4 s SER 201 Ca 0.05 0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.84 1sx4 s SER 201 Cb 0.12 0.24 0.21 0.00 0.10 0.00 0.00 66.02 66.70 1sx4 s SER 201 CO 0.73 -0.12 0.65 -2.65 0.98 0.00 0.00 173.24 172.83 1sx4 n PRO 202 N 3.89 0.13 0.10 4.02 -0.02 -1.26 -2.25 135.00 139.61 1sx4 n PRO 202 Ca -0.23 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.24 1sx4 n PRO 202 Cb 0.54 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.02 6.00 0.05 -1.98 -3.26 116.97 117.77 1sx4 h TYR 203 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1sx4 h TYR 203 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1sx4 h TYR 203 CO 0.00 0.68 0.01 0.74 -1.05 0.00 0.00 178.16 178.54 1sx4 h PHE 204 N 0.00 0.00 -1.46 4.88 0.04 -1.79 -3.44 116.94 115.18 1sx4 h PHE 204 Ca -0.03 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.12 1sx4 h PHE 204 Cb 1.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 1sx4 h PHE 204 CO 0.00 0.00 1.48 -0.89 -0.60 0.00 0.00 178.31 178.30 1sx4 n ILE 205 N -4.20 0.22 1.25 -0.55 5.41 -1.23 -4.84 119.36 115.42 1sx4 n ILE 205 Ca -0.03 -0.38 0.13 0.00 1.00 0.00 0.00 62.75 63.47 1sx4 n ILE 205 Cb 0.10 -2.08 0.31 0.00 -0.71 0.00 0.00 39.64 37.26 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 11.17 2.07 -3.52 4.38 0.23 -1.26 -4.61 115.26 123.72 1sx4 n ASN 206 Ca 0.37 -1.64 -0.28 0.00 -0.53 0.00 0.00 54.58 52.50 1sx4 n ASN 206 Cb 0.34 0.05 -0.12 0.00 -2.08 0.00 0.00 39.78 37.97 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 -2.08 0.97 0.55 -3.83 1.02 -1.20 -4.99 119.74 110.18 1sx4 s LYS 207 Ca 0.31 -1.89 0.30 0.00 0.02 0.00 0.00 55.97 54.72 1sx4 s LYS 207 Cb 0.20 -1.72 1.63 0.00 -0.52 0.00 0.00 37.83 37.43 1sx4 s LYS 207 CO 0.36 -1.27 2.14 -1.00 -0.92 0.00 0.00 175.35 174.67 1sx4 h PRO 208 N 6.37 0.00 -0.78 -1.68 0.13 -1.81 -2.74 132.00 131.48 1sx4 h PRO 208 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1sx4 h PRO 208 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1sx4 h PRO 208 CO 0.38 0.07 0.49 0.93 -0.23 0.00 0.00 178.00 179.64 1sx4 h GLU 209 N 0.00 1.04 0.00 0.86 3.07 -1.95 -1.35 114.58 116.26 1sx4 h GLU 209 Ca -0.00 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.62 1sx4 h GLU 209 Cb 0.22 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1sx4 h GLU 209 CO 0.01 0.71 -0.95 1.15 -1.40 0.00 0.00 179.01 178.53 1sx4 h THR 210 N 1.07 1.01 -0.34 1.13 2.02 -1.99 -3.47 112.91 112.32 1sx4 h THR 210 Ca 0.28 -2.53 -0.06 0.00 0.77 0.00 0.00 66.41 64.87 1sx4 h THR 210 Cb -0.08 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1sx4 h THR 210 CO -0.06 0.57 -0.07 0.61 0.37 0.00 0.00 175.52 176.95 1sx4 n GLY 211 N 1.33 0.34 3.06 2.16 0.00 -0.51 -5.05 105.19 106.52 1sx4 n GLY 211 Ca -0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.14 0.39 -0.02 4.61 0.00 -1.10 -4.47 121.76 119.04 1sx4 s ALA 212 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1sx4 s ALA 212 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1sx4 s ALA 212 CO 0.00 -0.31 0.29 0.08 0.00 0.00 0.00 175.76 175.82 1sx4 s VAL 213 N -3.17 5.25 -0.09 0.00 1.01 0.78 -3.26 120.40 120.93 1sx4 s VAL 213 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1sx4 s VAL 213 Cb 0.03 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1sx4 s VAL 213 CO -0.07 0.48 0.16 -0.70 0.00 0.00 0.00 175.10 174.97 1sx4 s GLU 214 N -1.39 0.04 0.05 2.72 2.12 -1.26 -0.85 118.70 120.13 1sx4 s GLU 214 Ca 0.24 0.55 0.06 0.00 0.36 0.00 0.00 54.97 56.17 1sx4 s GLU 214 Cb -0.14 -0.31 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 1sx4 s GLU 214 CO 0.12 -0.32 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.85 1sx4 s LEU 215 N 2.29 2.20 -0.04 2.70 1.43 -0.92 -4.93 118.68 121.42 1sx4 s LEU 215 Ca 0.03 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1sx4 s LEU 215 Cb -0.12 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 1sx4 s LEU 215 CO -0.06 0.04 -0.24 -1.61 0.23 0.00 0.00 176.35 174.71 1sx4 s GLU 216 N -1.32 2.24 -1.58 1.70 2.02 -1.26 -0.91 118.70 119.60 1sx4 s GLU 216 Ca 0.03 -0.86 -0.15 0.00 0.02 0.00 0.00 54.97 54.00 1sx4 s GLU 216 Cb -0.09 -2.00 0.10 0.00 0.10 0.00 0.00 34.13 32.25 1sx4 s GLU 216 CO 0.02 0.43 0.92 0.43 0.02 0.00 0.00 175.26 177.08 1sx4 n SER 217 N 2.77 -4.30 -4.81 -0.19 7.64 -0.12 -4.62 113.62 110.01 1sx4 n SER 217 Ca -0.17 -0.84 -0.36 0.00 1.01 0.00 0.00 58.87 58.51 1sx4 n SER 217 Cb 0.52 -3.58 -0.06 0.00 -1.01 0.00 0.00 64.21 60.08 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 4.32 0.55 1.43 0.04 -1.20 -4.61 135.00 128.83 1sx4 s PRO 218 Ca 0.67 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1sx4 s PRO 218 Cb -0.34 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1sx4 s PRO 218 CO 0.86 0.28 1.03 -0.06 0.04 0.00 0.00 177.00 179.15 1sx4 s PHE 219 N -1.68 3.16 -0.14 0.56 0.08 -0.34 -2.69 117.98 116.93 1sx4 s PHE 219 Ca 0.49 1.51 0.00 0.00 0.12 0.00 0.00 56.93 59.05 1sx4 s PHE 219 Cb -0.16 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 1sx4 s PHE 219 CO 0.21 -0.79 -0.14 0.42 -0.10 0.00 0.00 175.22 174.82 1sx4 s ILE 220 N -2.44 1.51 -0.35 0.64 1.01 0.15 -0.25 121.20 121.47 1sx4 s ILE 220 Ca 0.62 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1sx4 s ILE 220 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1sx4 s ILE 220 CO 0.32 0.45 0.35 -0.22 0.00 0.00 0.00 174.94 175.84 1sx4 s LEU 221 N 1.45 4.51 -0.38 2.97 2.96 0.23 -0.40 118.68 130.02 1sx4 s LEU 221 Ca 0.04 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 1sx4 s LEU 221 Cb -0.13 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.27 1sx4 s LEU 221 CO -0.09 -0.35 0.22 -0.76 -1.32 0.00 0.00 176.35 174.05 1sx4 s LEU 222 N 1.98 4.78 -0.24 -0.68 1.43 -1.26 -0.84 118.68 123.86 1sx4 s LEU 222 Ca 0.11 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1sx4 s LEU 222 Cb -0.17 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1sx4 s LEU 222 CO 0.12 -0.39 -0.13 0.00 0.23 0.00 0.00 176.35 176.17 1sx4 s ALA 223 N 1.58 2.52 -1.36 4.21 0.00 -0.73 -1.48 121.76 126.50 1sx4 s ALA 223 Ca 0.03 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 1sx4 s ALA 223 Cb -0.19 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.56 1sx4 s ALA 223 CO 0.07 -0.90 2.09 -3.47 0.00 0.00 0.00 175.76 173.55 1sx4 n ASP 224 N 4.52 5.18 0.00 0.00 2.03 -0.77 -2.27 116.55 125.25 1sx4 n ASP 224 Ca -0.16 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1sx4 n ASP 224 Cb 0.45 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 4.31 0.00 -1.79 -0.67 2.85 -1.26 -4.36 118.16 117.24 1sx4 n LYS 225 Ca 0.47 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.36 1sx4 n LYS 225 Cb 0.35 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 0.15 -0.05 0.00 0.00 177.40 177.50 1sx4 s LYS 226 N -2.00 2.88 -0.27 -1.58 1.02 -1.26 -2.99 119.74 115.54 1sx4 s LYS 226 Ca 0.00 2.12 0.03 0.00 0.02 0.00 0.00 55.97 58.14 1sx4 s LYS 226 Cb 0.00 -2.05 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1sx4 s LYS 226 CO 0.00 -1.36 -0.06 0.42 -0.92 0.00 0.00 175.35 173.43 1sx4 s ILE 227 N -1.37 2.00 -0.15 2.17 1.01 -0.17 -4.91 121.20 119.79 1sx4 s ILE 227 Ca 0.77 -1.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1sx4 s ILE 227 Cb -0.38 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1sx4 s ILE 227 CO 0.43 -0.18 -0.17 -1.20 0.00 0.00 0.00 174.94 173.82 1sx4 n SER 228 N 4.46 1.66 -4.70 3.58 7.64 -1.26 -2.71 113.62 122.28 1sx4 n SER 228 Ca -0.10 0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 1sx4 n SER 228 Cb 0.42 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 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 -6.05 6.74 0.45 6.43 0.01 -1.26 -0.11 114.94 121.14 1sx4 s ASN 229 Ca -0.21 0.88 0.24 0.00 -0.71 0.00 0.00 52.86 53.06 1sx4 s ASN 229 Cb 0.07 -2.33 1.00 0.00 0.41 0.00 0.00 41.25 40.40 1sx4 s ASN 229 CO 0.29 -0.11 1.87 -0.29 -1.51 0.00 0.00 177.10 177.34 1sx4 h ILE 230 N 4.88 0.64 -0.93 0.60 2.10 -1.89 -3.14 117.51 119.77 1sx4 h ILE 230 Ca -0.38 -1.06 0.22 0.00 1.08 0.00 0.00 64.86 64.72 1sx4 h ILE 230 Cb 1.17 1.69 -0.12 0.00 -1.09 0.00 0.00 36.82 38.48 1sx4 h ILE 230 CO 0.76 0.23 0.47 0.03 -1.08 0.00 0.00 178.15 178.56 1sx4 h ARG 231 N 0.00 0.48 0.00 2.19 3.08 -2.00 0.30 114.38 118.43 1sx4 h ARG 231 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1sx4 h ARG 231 Cb 0.68 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1sx4 h ARG 231 CO 0.03 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.18 1sx4 h GLU 232 N 0.50 0.00 0.05 0.04 5.08 -1.98 -3.08 114.58 115.19 1sx4 h GLU 232 Ca 0.58 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.56 1sx4 h GLU 232 Cb 1.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1sx4 h GLU 232 CO -0.49 0.00 -2.26 -1.33 -1.00 0.00 0.00 179.01 173.93 1sx4 n MET 233 N -2.87 0.69 -0.38 2.33 2.81 0.10 -2.98 117.12 116.82 1sx4 n MET 233 Ca -0.03 0.21 -0.03 0.00 -1.81 0.00 0.00 57.70 56.05 1sx4 n MET 233 Cb 0.07 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 30.99 1sx4 n MET 233 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1sx4 n LEU 234 N -3.44 -0.71 -0.19 4.03 4.77 -1.10 0.46 117.00 120.83 1sx4 n LEU 234 Ca -0.41 1.68 0.27 0.00 -0.03 0.00 0.00 56.01 57.52 1sx4 n LEU 234 Cb 1.00 -0.35 0.68 0.00 -2.33 0.00 0.00 43.42 42.42 1sx4 n LEU 234 CO 0.31 -1.48 1.25 1.55 -1.33 0.00 0.00 177.39 177.70 1sx4 h PRO 235 N 0.00 0.08 0.00 3.23 0.13 -1.85 -2.51 132.00 131.08 1sx4 h PRO 235 Ca 0.29 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.38 1sx4 h PRO 235 Cb 0.53 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1sx4 h PRO 235 CO -0.94 0.05 -0.48 0.28 -0.23 0.00 0.00 178.00 176.69 1sx4 h VAL 236 N 0.08 0.27 -1.07 1.56 2.07 -0.23 -3.18 116.25 115.74 1sx4 h VAL 236 Ca 0.44 -1.28 0.31 0.00 0.82 0.00 0.00 66.70 66.99 1sx4 h VAL 236 Cb 1.60 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1sx4 h VAL 236 CO -0.04 0.09 0.87 -0.07 0.02 0.00 0.00 177.57 178.44 1sx4 h LEU 237 N -1.00 0.00 0.03 2.57 3.38 -1.12 0.66 115.31 119.82 1sx4 h LEU 237 Ca -0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1sx4 h LEU 237 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1sx4 h LEU 237 CO -0.03 0.00 -1.74 -0.33 0.09 0.00 0.00 178.44 176.43 1sx4 h GLU 238 N 0.00 0.05 -0.19 1.13 5.08 -1.60 -2.08 114.58 116.97 1sx4 h GLU 238 Ca 0.51 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1sx4 h GLU 238 Cb 2.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.52 1sx4 h GLU 238 CO -0.01 0.65 -0.05 0.00 -1.00 0.00 0.00 179.01 178.60 1sx4 h ALA 239 N 0.82 1.56 0.04 3.43 0.00 -0.88 -2.60 119.26 121.63 1sx4 h ALA 239 Ca -0.30 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1sx4 h ALA 239 Cb 2.01 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.73 1sx4 h ALA 239 CO 0.08 0.32 -1.07 0.28 0.00 0.00 0.00 179.25 178.86 1sx4 h VAL 240 N 0.28 1.32 0.00 0.00 2.07 -1.33 -3.08 116.25 115.51 1sx4 h VAL 240 Ca 0.06 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 1sx4 h VAL 240 Cb 0.28 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1sx4 h VAL 240 CO 0.01 0.73 -0.06 0.00 0.02 0.00 0.00 177.57 178.27 1sx4 h ALA 241 N 0.48 1.61 0.06 1.67 0.00 -1.19 -1.82 119.26 120.07 1sx4 h ALA 241 Ca -0.13 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1sx4 h ALA 241 Cb 1.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1sx4 h ALA 241 CO 0.20 0.07 -1.08 0.87 0.00 0.00 0.00 179.25 179.31 1sx4 h LYS 242 N 0.00 0.22 0.00 0.00 1.57 -1.48 -3.22 116.57 113.66 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 0.13 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1sx4 h LYS 242 CO 0.01 1.11 -0.06 0.00 -0.57 0.00 0.00 179.45 179.94 1sx4 n ALA 243 N -2.49 2.43 -1.44 3.86 0.00 -0.91 -4.95 120.51 117.01 1sx4 n ALA 243 Ca -0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1sx4 n ALA 243 Cb 0.94 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 1.45 1.16 3.64 0.00 0.00 -0.73 -5.02 105.19 105.69 1sx4 n GLY 244 Ca 0.06 -0.46 -0.30 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 -3.19 2.35 1.02 1.61 1.02 -1.24 -5.06 119.74 116.25 1sx4 s LYS 245 Ca 0.00 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 54.93 1sx4 s LYS 245 Cb 0.00 -2.43 0.20 0.00 -0.52 0.00 0.00 37.83 35.08 1sx4 s LYS 245 CO 0.00 0.52 1.10 -1.25 -0.92 0.00 0.00 175.35 174.81 1sx4 s PRO 246 N -2.28 0.27 -0.04 -1.68 0.04 -1.26 -4.75 135.00 125.30 1sx4 s PRO 246 Ca 0.24 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.65 1sx4 s PRO 246 Cb -0.11 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1sx4 s PRO 246 CO 0.16 -2.81 0.09 -1.17 0.04 0.00 0.00 177.00 173.31 1sx4 s LEU 247 N -6.47 1.00 -0.11 -3.56 2.96 0.20 -1.20 118.68 111.50 1sx4 s LEU 247 Ca 0.66 0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.65 1sx4 s LEU 247 Cb -0.17 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.64 1sx4 s LEU 247 CO 0.57 -0.12 0.19 -0.22 -1.32 0.00 0.00 176.35 175.44 1sx4 s LEU 248 N 0.99 4.39 -0.32 -0.68 2.96 0.65 -1.49 118.68 125.18 1sx4 s LEU 248 Ca -0.08 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1sx4 s LEU 248 Cb -0.11 -2.17 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1sx4 s LEU 248 CO -0.04 0.37 0.02 -0.63 -1.32 0.00 0.00 176.35 174.75 1sx4 s ILE 249 N -0.87 2.76 -0.44 6.68 -1.09 0.26 0.76 121.20 129.25 1sx4 s ILE 249 Ca 0.16 -1.70 -0.08 0.00 -2.23 0.00 0.00 60.65 56.80 1sx4 s ILE 249 Cb -0.13 -2.71 0.11 0.00 -1.58 0.00 0.00 42.46 38.14 1sx4 s ILE 249 CO 0.05 -0.26 0.29 -0.63 -1.23 0.00 0.00 174.94 173.16 1sx4 s ILE 250 N 1.15 4.02 0.46 2.92 1.01 -0.02 -2.00 121.20 128.73 1sx4 s ILE 250 Ca -0.01 -1.73 0.05 0.00 0.00 0.00 0.00 60.65 58.95 1sx4 s ILE 250 Cb -0.20 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1sx4 s ILE 250 CO -0.03 -0.68 0.04 0.00 0.00 0.00 0.00 174.94 174.27 1sx4 s ALA 251 N 1.33 3.65 0.45 9.38 0.00 -1.23 -1.77 121.76 133.57 1sx4 s ALA 251 Ca 0.05 -1.45 0.17 0.00 0.00 0.00 0.00 51.96 50.73 1sx4 s ALA 251 Cb -0.25 0.02 1.12 0.00 0.00 0.00 0.00 23.12 24.02 1sx4 s ALA 251 CO -0.01 -0.10 1.96 1.49 0.00 0.00 0.00 175.76 179.10 1sx4 h GLU 252 N 1.52 0.31 -1.07 0.00 4.81 -1.35 0.44 114.58 119.24 1sx4 h GLU 252 Ca -0.44 -0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.07 1sx4 h GLU 252 Cb 1.27 -0.07 -0.23 0.00 0.63 0.00 0.00 28.75 30.35 1sx4 h GLU 252 CO 0.76 0.20 0.96 0.34 -0.73 0.00 0.00 179.01 180.55 1sx4 s ASP 253 N -6.12 -0.03 -0.23 1.04 2.15 -1.26 -4.22 116.67 107.99 1sx4 s ASP 253 Ca -0.07 0.01 0.01 0.00 0.43 0.00 0.00 52.55 52.93 1sx4 s ASP 253 Cb 0.20 0.03 0.06 0.00 -0.30 0.00 0.00 42.92 42.91 1sx4 s ASP 253 CO 0.75 -0.04 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.98 1sx4 s VAL 254 N -1.70 1.47 0.37 1.11 1.01 -1.26 -0.99 120.40 120.41 1sx4 s VAL 254 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1sx4 s VAL 254 Cb -0.01 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.68 1sx4 s VAL 254 CO -0.04 -0.12 0.51 -0.62 0.00 0.00 0.00 175.10 174.83 1sx4 n GLU 255 N 4.69 0.27 0.00 2.72 1.02 -1.10 -4.75 120.64 123.49 1sx4 n GLU 255 Ca -0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 1sx4 n GLU 255 Cb 0.44 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 1.05 -1.92 0.41 0.62 0.00 -1.26 -1.34 105.19 102.74 1sx4 n GLY 256 Ca 0.09 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.41 0.74 1.61 4.22 -1.92 0.17 114.58 119.00 1sx4 h GLU 257 Ca 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1sx4 h GLU 257 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1sx4 h GLU 257 CO 0.00 -0.27 -0.38 0.00 -2.18 0.00 0.00 179.01 176.18 1sx4 h ALA 258 N 0.20 -1.26 -0.29 2.92 0.00 -0.60 -3.04 119.26 117.20 1sx4 h ALA 258 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 258 Cb 0.61 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1sx4 h ALA 258 CO -0.49 -1.19 -0.52 1.25 0.00 0.00 0.00 179.25 178.30 1sx4 h LEU 259 N -1.03 -1.69 -0.92 0.00 5.85 -0.98 -0.42 115.31 116.12 1sx4 h LEU 259 Ca -0.10 0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1sx4 h LEU 259 Cb 0.80 0.68 -0.13 0.00 0.37 0.00 0.00 40.66 42.38 1sx4 h LEU 259 CO 0.15 -0.40 -0.44 0.00 -0.34 0.00 0.00 178.44 177.41 1sx4 n ALA 260 N -3.03 -0.32 -0.22 1.25 0.00 0.59 0.13 120.51 118.92 1sx4 n ALA 260 Ca -0.04 0.85 -0.07 0.00 0.00 0.00 0.00 53.44 54.19 1sx4 n ALA 260 Cb 0.33 -0.28 0.04 0.00 0.00 0.00 0.00 19.45 19.53 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 1.20 -0.62 0.00 2.02 -1.18 0.20 112.91 114.52 1sx4 h THR 261 Ca 0.24 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.99 1sx4 h THR 261 Cb 0.47 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1sx4 h THR 261 CO -0.89 0.22 0.31 -0.07 0.37 0.00 0.00 175.52 175.46 1sx4 h LEU 262 N 0.84 0.42 -0.55 2.58 3.38 0.69 0.90 115.31 123.57 1sx4 h LEU 262 Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sx4 h LEU 262 Cb 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1sx4 h LEU 262 CO -0.03 0.27 0.36 0.58 0.09 0.00 0.00 178.44 179.70 1sx4 h VAL 263 N 0.57 1.15 -0.48 1.22 2.07 0.36 -0.39 116.25 120.74 1sx4 h VAL 263 Ca 0.29 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1sx4 h VAL 263 Cb 0.25 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1sx4 h VAL 263 CO -0.22 0.14 0.07 0.58 0.02 0.00 0.00 177.57 178.17 1sx4 h VAL 264 N 0.74 1.22 -0.05 2.57 2.07 -0.19 -2.19 116.25 120.43 1sx4 h VAL 264 Ca 0.20 -0.85 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 1sx4 h VAL 264 Cb -0.07 0.78 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1sx4 h VAL 264 CO -0.04 0.31 -0.92 0.78 0.02 0.00 0.00 177.57 177.72 1sx4 h ASN 265 N 0.72 0.89 -0.28 0.57 -0.26 -0.42 -3.09 115.58 113.71 1sx4 h ASN 265 Ca 0.15 -0.70 -0.18 0.00 -0.56 0.00 0.00 56.30 55.01 1sx4 h ASN 265 Cb 0.34 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1sx4 h ASN 265 CO 0.01 1.47 -0.51 0.71 -1.06 0.00 0.00 177.43 178.05 1sx4 h THR 266 N 0.40 1.28 -0.15 2.81 1.35 -1.11 -2.75 112.91 114.74 1sx4 h THR 266 Ca -0.10 -1.70 0.05 0.00 -0.55 0.00 0.00 66.41 64.11 1sx4 h THR 266 Cb 1.57 1.64 -0.07 0.00 -1.73 0.00 0.00 68.15 69.57 1sx4 h THR 266 CO 0.18 0.55 -0.40 -0.03 -0.25 0.00 0.00 175.52 175.58 1sx4 h MET 267 N 0.62 -0.44 0.00 4.72 -1.53 -1.45 -2.90 114.93 113.95 1sx4 h MET 267 Ca 0.02 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1sx4 h MET 267 Cb 1.12 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 32.27 1sx4 h MET 267 CO 0.12 -0.29 0.00 0.54 0.14 0.00 0.00 176.91 177.41 1sx4 n ARG 268 N -5.43 0.50 -2.03 0.39 1.74 -1.17 -4.80 116.66 105.85 1sx4 n ARG 268 Ca -0.04 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.97 1sx4 n ARG 268 Cb 0.35 -1.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 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 -0.00 0.17 0.01 -0.13 0.00 -1.09 -4.98 105.19 99.15 1sx4 n GLY 269 Ca 0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.68 -3.47 117.51 110.26 1sx4 h ILE 270 Ca -0.17 -0.03 -0.34 0.00 1.00 0.00 0.00 64.86 65.32 1sx4 h ILE 270 Cb 1.05 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.80 1sx4 h ILE 270 CO 0.21 0.00 -0.75 -0.69 0.00 0.00 0.00 178.15 176.92 1sx4 s VAL 271 N -1.46 0.18 -0.31 1.67 1.01 -1.23 -5.02 120.40 115.23 1sx4 s VAL 271 Ca -0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1sx4 s VAL 271 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1sx4 s VAL 271 CO 0.00 0.13 1.57 -0.54 0.00 0.00 0.00 175.10 176.27 1sx4 s LYS 272 N 0.88 3.62 0.05 2.72 3.01 -1.26 -4.03 119.74 124.73 1sx4 s LYS 272 Ca -0.09 1.34 -0.00 0.00 -1.01 0.00 0.00 55.97 56.21 1sx4 s LYS 272 Cb -0.12 -4.06 -0.04 0.00 -1.01 0.00 0.00 37.83 32.60 1sx4 s LYS 272 CO -0.01 -1.51 -0.04 0.08 0.51 0.00 0.00 175.35 174.38 1sx4 s VAL 273 N 5.64 0.28 0.05 3.17 1.01 -1.26 -0.63 120.40 128.66 1sx4 s VAL 273 Ca 0.69 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1sx4 s VAL 273 Cb -0.20 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1sx4 s VAL 273 CO 0.31 -0.88 0.22 0.00 0.00 0.00 0.00 175.10 174.75 1sx4 s ALA 274 N -3.38 -0.41 -0.03 5.51 0.00 -0.55 -4.88 121.76 118.01 1sx4 s ALA 274 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1sx4 s ALA 274 Cb 0.04 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1sx4 s ALA 274 CO -0.07 -0.41 0.17 0.00 0.00 0.00 0.00 175.76 175.45 1sx4 s ALA 275 N -2.84 -0.40 -0.24 0.00 0.00 -1.26 -0.58 121.76 116.44 1sx4 s ALA 275 Ca -0.03 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 1sx4 s ALA 275 Cb 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1sx4 s ALA 275 CO -0.05 -0.15 0.64 0.14 0.00 0.00 0.00 175.76 176.34 1sx4 s VAL 276 N -0.63 -0.00 0.94 0.00 -7.23 -0.85 -1.29 120.40 111.35 1sx4 s VAL 276 Ca -0.07 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.99 1sx4 s VAL 276 Cb -0.04 -0.90 0.12 0.00 0.56 0.00 0.00 36.38 36.12 1sx4 s VAL 276 CO 0.01 0.00 0.92 0.29 -0.31 0.00 0.00 175.10 176.01 1sx4 n LYS 277 N 2.85 -0.54 -2.10 4.82 5.02 -1.26 -3.57 118.16 123.37 1sx4 n LYS 277 Ca -0.14 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.72 1sx4 n LYS 277 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 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 -2.55 2.85 0.22 7.82 0.00 0.14 -4.74 121.76 125.50 1sx4 s ALA 278 Ca 0.64 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1sx4 s ALA 278 Cb -0.22 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1sx4 s ALA 278 CO 0.61 -0.66 1.10 -1.25 0.00 0.00 0.00 175.76 175.55 1sx4 s PRO 279 N -4.22 4.62 2.00 0.00 0.04 -1.26 -4.85 135.00 131.32 1sx4 s PRO 279 Ca 0.61 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1sx4 s PRO 279 Cb -0.14 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1sx4 s PRO 279 CO 0.38 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.97 1sx4 n GLY 280 N 1.69 -0.21 0.00 0.56 0.00 -1.26 -4.26 105.19 101.70 1sx4 n GLY 280 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.12 0.00 0.00 1.61 -1.74 -1.26 -4.81 117.46 110.14 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 1.20 3.42 0.14 4.97 0.00 -1.26 -3.16 105.19 110.49 1sx4 n GLY 282 Ca 0.00 -0.07 -0.22 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 0.00 0.58 -0.02 1.61 3.32 -2.00 -3.34 116.42 116.56 1sx4 h ASP 283 Ca 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 57.03 56.16 1sx4 h ASP 283 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1sx4 h ASP 283 CO 0.00 1.74 -0.02 0.08 -1.72 0.00 0.00 179.24 179.32 1sx4 h ARG 284 N 0.10 0.13 -0.38 3.56 0.11 -1.96 -3.10 114.38 112.84 1sx4 h ARG 284 Ca -0.33 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 59.79 1sx4 h ARG 284 Cb 2.09 -0.03 -0.08 0.00 1.11 0.00 0.00 29.97 33.06 1sx4 h ARG 284 CO 0.17 0.16 -0.52 -0.09 0.10 0.00 0.00 179.97 179.79 1sx4 h ARG 285 N 0.13 -0.38 -0.34 0.08 2.43 -1.67 1.25 114.38 115.87 1sx4 h ARG 285 Ca 0.03 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1sx4 h ARG 285 Cb 0.12 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1sx4 h ARG 285 CO 0.00 -0.26 0.19 0.87 -1.51 0.00 0.00 179.97 179.27 1sx4 h LYS 286 N -0.40 0.38 -0.57 0.20 1.57 -1.76 1.00 116.57 116.99 1sx4 h LYS 286 Ca 0.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1sx4 h LYS 286 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1sx4 h LYS 286 CO -0.58 0.25 0.26 0.00 -0.57 0.00 0.00 179.45 178.81 1sx4 h ALA 287 N 1.16 0.73 -0.09 3.86 0.00 -1.38 -1.52 119.26 122.03 1sx4 h ALA 287 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1sx4 h ALA 287 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sx4 h ALA 287 CO -0.08 0.31 -0.67 1.98 0.00 0.00 0.00 179.25 180.79 1sx4 h MET 288 N 0.77 0.38 -0.38 0.00 4.05 0.23 -2.32 114.93 117.65 1sx4 h MET 288 Ca 0.19 -0.29 -0.05 0.00 -0.28 0.00 0.00 59.70 59.28 1sx4 h MET 288 Cb 0.14 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1sx4 h MET 288 CO -0.02 0.92 0.04 1.25 0.23 0.00 0.00 176.91 179.33 1sx4 h LEU 289 N 0.27 0.55 -1.08 3.39 6.46 0.11 -1.82 115.31 123.18 1sx4 h LEU 289 Ca -0.02 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1sx4 h LEU 289 Cb 1.22 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.96 1sx4 h LEU 289 CO 0.11 0.59 0.62 -0.61 -0.62 0.00 0.00 178.44 178.53 1sx4 h GLN 290 N 0.57 1.22 -0.25 1.25 5.75 -0.81 -1.51 115.11 121.33 1sx4 h GLN 290 Ca 0.13 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1sx4 h GLN 290 Cb 0.30 -0.27 -0.07 0.00 1.07 0.00 0.00 27.48 28.51 1sx4 h GLN 290 CO 0.01 0.81 -0.19 -0.44 -2.65 0.00 0.00 178.83 176.36 1sx4 h ASP 291 N 1.25 -0.63 -0.88 -0.69 3.32 -0.82 -1.10 116.42 116.88 1sx4 h ASP 291 Ca 0.35 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.58 1sx4 h ASP 291 Cb -0.11 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1sx4 h ASP 291 CO -0.08 -0.23 0.55 0.40 -1.72 0.00 0.00 179.24 178.16 1sx4 h ILE 292 N -0.19 1.08 0.26 0.35 2.04 -1.11 -1.16 117.51 118.78 1sx4 h ILE 292 Ca 0.14 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1sx4 h ILE 292 Cb 0.40 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1sx4 h ILE 292 CO -0.36 0.19 -0.47 0.00 0.00 0.00 0.00 178.15 177.51 1sx4 h ALA 293 N 1.39 -0.94 -0.44 1.87 0.00 -0.41 -2.68 119.26 118.06 1sx4 h ALA 293 Ca 0.37 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1sx4 h ALA 293 Cb 0.11 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1sx4 h ALA 293 CO -0.15 -1.08 -0.03 1.15 0.00 0.00 0.00 179.25 179.13 1sx4 h THR 294 N -0.80 0.63 -0.14 0.00 2.02 -0.59 0.37 112.91 114.40 1sx4 h THR 294 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1sx4 h THR 294 Cb 0.76 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1sx4 h THR 294 CO -0.19 0.01 0.02 0.25 0.37 0.00 0.00 175.52 175.99 1sx4 h LEU 295 N 0.07 0.17 -2.23 2.58 7.12 -1.09 -2.60 115.31 119.34 1sx4 h LEU 295 Ca 0.22 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1sx4 h LEU 295 Cb 0.32 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1sx4 h LEU 295 CO -0.39 0.19 0.00 0.35 -0.13 0.00 0.00 178.44 178.46 1sx4 n THR 296 N -4.44 0.56 -3.41 1.05 -2.24 -0.92 -2.27 114.28 102.61 1sx4 n THR 296 Ca -0.01 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.82 1sx4 n THR 296 Cb 0.14 0.80 0.09 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 0.42 -0.35 3.72 3.38 0.00 0.11 -0.72 105.19 111.75 1sx4 n GLY 297 Ca 0.08 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.24 2.82 -0.16 -0.02 0.00 -0.11 -4.49 107.32 101.13 1sx4 s GLY 298 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1sx4 s GLY 298 CO 0.71 -2.15 -0.20 -1.59 0.00 0.00 0.00 173.10 169.87 1sx4 s THR 299 N -2.81 2.20 0.23 0.90 2.01 0.31 -4.46 115.64 114.02 1sx4 s THR 299 Ca 0.17 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 1sx4 s THR 299 Cb 0.04 -1.91 -0.12 0.00 0.01 0.00 0.00 72.50 70.52 1sx4 s THR 299 CO 0.09 0.54 1.69 0.52 -0.69 0.00 0.00 174.62 176.77 1sx4 n VAL 300 N 4.31 0.28 -3.67 3.82 0.31 -1.26 -4.70 118.33 117.41 1sx4 n VAL 300 Ca -0.20 -0.07 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 1sx4 n VAL 300 Cb 0.51 -1.98 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 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 0.85 3.91 0.04 2.52 1.01 -0.55 -4.98 121.20 124.00 1sx4 s ILE 301 Ca 0.72 -2.81 0.07 0.00 0.00 0.00 0.00 60.65 58.63 1sx4 s ILE 301 Cb -0.50 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1sx4 s ILE 301 CO 0.37 -0.88 -0.16 -0.94 0.00 0.00 0.00 174.94 173.33 1sx4 s SER 302 N 0.99 3.97 0.00 3.58 1.04 -1.26 -1.85 113.70 120.17 1sx4 s SER 302 Ca 0.16 -0.38 0.18 0.00 0.48 0.00 0.00 55.95 56.39 1sx4 s SER 302 Cb -0.19 -0.70 1.09 0.00 0.10 0.00 0.00 66.02 66.32 1sx4 s SER 302 CO -0.04 0.25 1.50 -0.62 0.98 0.00 0.00 173.24 175.31 1sx4 n GLU 303 N 1.48 0.62 0.06 4.02 1.02 -1.26 -3.12 120.64 123.46 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 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.51 -0.39 3.49 5.08 -1.90 -2.96 114.58 118.42 1sx4 h GLU 304 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1sx4 h GLU 304 Cb 0.00 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1sx4 h GLU 304 CO 0.00 1.29 0.00 -0.89 -1.00 0.00 0.00 179.01 178.41 1sx4 n ILE 305 N -3.96 0.22 -3.00 3.13 5.41 -1.19 -4.90 119.36 115.08 1sx4 n ILE 305 Ca -0.13 -0.16 -0.03 0.00 1.00 0.00 0.00 62.75 63.44 1sx4 n ILE 305 Cb 0.88 -0.11 0.01 0.00 -0.71 0.00 0.00 39.64 39.71 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 0.47 -1.15 3.29 7.39 0.00 -1.12 -5.06 105.19 109.01 1sx4 n GLY 306 Ca 0.04 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.25 1.17 -0.01 1.61 -1.94 -1.18 -5.02 119.30 110.67 1sx4 s MET 307 Ca 0.08 -1.33 0.06 0.00 -1.71 0.00 0.00 55.69 52.80 1sx4 s MET 307 Cb -0.01 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 1sx4 s MET 307 CO 0.70 0.23 -0.21 -1.21 -0.01 0.00 0.00 175.02 174.53 1sx4 s GLU 308 N -2.71 1.66 0.22 2.03 2.02 -1.26 -4.25 118.70 116.40 1sx4 s GLU 308 Ca 0.13 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1sx4 s GLU 308 Cb -0.06 -1.62 0.32 0.00 0.10 0.00 0.00 34.13 32.88 1sx4 s GLU 308 CO 0.05 0.44 1.72 -0.07 0.02 0.00 0.00 175.26 177.42 1sx4 h LEU 309 N 5.55 0.13 -0.82 1.80 3.38 -1.93 -2.59 115.31 120.83 1sx4 h LEU 309 Ca -0.40 0.10 0.16 0.00 0.09 0.00 0.00 57.88 57.84 1sx4 h LEU 309 Cb 1.14 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1sx4 h LEU 309 CO 0.47 0.07 0.37 -0.33 0.09 0.00 0.00 178.44 179.11 1sx4 h GLU 310 N 0.35 0.48 -3.47 1.13 3.07 -1.88 -2.40 114.58 111.86 1sx4 h GLU 310 Ca 0.33 -0.03 -0.75 0.00 -0.50 0.00 0.00 59.36 58.42 1sx4 h GLU 310 Cb 0.48 -0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.14 1sx4 h GLU 310 CO -0.37 0.32 2.22 1.63 -1.40 0.00 0.00 179.01 181.40 1sx4 n LYS 311 N -4.97 3.61 -3.51 2.33 5.02 -0.98 -4.76 118.16 114.92 1sx4 n LYS 311 Ca 0.17 -3.39 -0.20 0.00 -2.02 0.00 0.00 58.31 52.87 1sx4 n LYS 311 Cb 0.47 -2.94 -0.13 0.00 -0.02 0.00 0.00 35.03 32.41 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 0.60 -0.15 0.90 7.82 0.00 -0.91 -4.73 121.76 125.30 1sx4 s ALA 312 Ca 0.42 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 1sx4 s ALA 312 Cb 0.11 -1.31 0.13 0.00 0.00 0.00 0.00 23.12 22.06 1sx4 s ALA 312 CO -0.01 -1.24 1.16 0.95 0.00 0.00 0.00 175.76 176.61 1sx4 s THR 313 N 2.29 1.98 0.39 0.00 -4.23 -1.26 -4.56 115.64 110.26 1sx4 s THR 313 Ca 0.06 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.78 1sx4 s THR 313 Cb -0.16 -2.81 0.40 0.00 1.34 0.00 0.00 72.50 71.27 1sx4 s THR 313 CO -0.13 0.00 1.71 -0.07 -0.54 0.00 0.00 174.62 175.58 1sx4 h LEU 314 N -1.45 0.42 -1.14 4.79 3.38 -1.93 -2.53 115.31 116.84 1sx4 h LEU 314 Ca -0.49 0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.73 1sx4 h LEU 314 Cb 1.32 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 1sx4 h LEU 314 CO 0.60 -0.03 0.60 -0.08 0.09 0.00 0.00 178.44 179.63 1sx4 h GLU 315 N 0.31 0.83 0.00 1.13 4.81 -2.00 -1.42 114.58 118.24 1sx4 h GLU 315 Ca 0.69 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.83 1sx4 h GLU 315 Cb 1.82 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1sx4 h GLU 315 CO -0.40 0.55 -0.20 -0.44 -0.73 0.00 0.00 179.01 177.79 1sx4 h ASP 316 N 0.86 0.00 -3.88 1.04 3.32 -1.82 -3.44 116.42 112.50 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 0.58 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.20 1sx4 h ASP 316 CO -0.24 0.20 0.63 -0.76 -1.72 0.00 0.00 179.24 177.35 1sx4 s LEU 317 N -8.17 4.43 1.01 1.55 1.02 -0.54 0.11 118.68 118.11 1sx4 s LEU 317 Ca -0.03 2.67 -0.14 0.00 0.02 0.00 0.00 54.13 56.65 1sx4 s LEU 317 Cb 0.15 -3.65 0.20 0.00 0.02 0.00 0.00 46.19 42.90 1sx4 s LEU 317 CO 0.67 -0.52 1.12 -0.83 0.02 0.00 0.00 176.35 176.81 1sx4 s GLY 318 N -0.50 1.58 -0.03 -3.19 0.00 0.47 -4.40 107.32 101.26 1sx4 s GLY 318 Ca 0.49 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 44.44 1sx4 s GLY 318 CO 0.52 0.07 0.37 1.62 0.00 0.00 0.00 173.10 175.68 1sx4 s GLN 319 N -5.21 0.71 0.34 2.90 0.74 0.10 0.33 119.66 119.56 1sx4 s GLN 319 Ca 0.67 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 56.03 1sx4 s GLN 319 Cb -0.15 0.32 -0.02 0.00 1.10 0.00 0.00 33.01 34.27 1sx4 s GLN 319 CO 0.56 -0.20 0.36 0.00 -0.55 0.00 0.00 175.29 175.46 1sx4 s ALA 320 N -1.21 1.43 -0.16 1.58 0.00 -1.09 -1.76 121.76 120.54 1sx4 s ALA 320 Ca -0.12 -1.86 0.18 0.00 0.00 0.00 0.00 51.96 50.16 1sx4 s ALA 320 Cb -0.04 1.35 -0.08 0.00 0.00 0.00 0.00 23.12 24.34 1sx4 s ALA 320 CO 0.05 -0.72 0.93 0.87 0.00 0.00 0.00 175.76 176.89 1sx4 h LYS 321 N 2.12 0.00 -1.66 0.00 1.57 -1.26 -3.17 116.57 114.17 1sx4 h LYS 321 Ca -0.26 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 321 Cb 1.23 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 1sx4 h LYS 321 CO 0.37 0.21 0.44 1.03 -0.57 0.00 0.00 179.45 180.93 1sx4 s ARG 322 N -3.06 0.63 0.05 3.15 0.52 -1.19 -0.94 118.95 118.11 1sx4 s ARG 322 Ca -0.02 0.41 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1sx4 s ARG 322 Cb 0.09 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.84 1sx4 s ARG 322 CO 0.80 -0.15 -0.10 0.14 0.02 0.00 0.00 175.30 176.01 1sx4 s VAL 323 N -0.47 0.76 -0.09 3.52 -7.23 -0.09 -0.76 120.40 116.05 1sx4 s VAL 323 Ca -0.01 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1sx4 s VAL 323 Cb -0.03 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.17 1sx4 s VAL 323 CO -0.01 -0.26 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.83 1sx4 s VAL 324 N -1.20 0.47 -0.05 1.32 1.01 0.06 -2.17 120.40 119.85 1sx4 s VAL 324 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1sx4 s VAL 324 Cb -0.09 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1sx4 s VAL 324 CO 0.01 0.21 -0.09 0.27 0.00 0.00 0.00 175.10 175.50 1sx4 s ILE 325 N 1.93 0.85 0.00 2.22 -4.36 -0.03 -0.46 121.20 121.34 1sx4 s ILE 325 Ca 0.04 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1sx4 s ILE 325 Cb -0.13 -0.80 0.00 0.00 1.25 0.00 0.00 42.46 42.78 1sx4 s ILE 325 CO -0.06 0.29 0.00 0.59 0.24 0.00 0.00 174.94 176.00 1sx4 n ASN 326 N 3.77 0.37 -0.04 4.36 3.02 0.47 -0.15 115.26 127.05 1sx4 n ASN 326 Ca -0.23 -0.53 0.09 0.00 -0.03 0.00 0.00 54.58 53.89 1sx4 n ASN 326 Cb 0.52 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.17 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 0.43 -0.10 3.52 3.64 -1.92 -2.88 116.57 119.26 1sx4 h LYS 327 Ca 0.00 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1sx4 h LYS 327 Cb 0.00 -0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 31.44 1sx4 h LYS 327 CO 0.00 0.28 -0.72 -0.40 -2.27 0.00 0.00 179.45 176.34 1sx4 n ASP 328 N -4.47 0.15 -3.29 4.20 5.68 -1.26 -3.69 116.55 113.86 1sx4 n ASP 328 Ca 0.07 -2.05 -0.06 0.00 -0.50 0.00 0.00 54.79 52.26 1sx4 n ASP 328 Cb 0.26 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.84 -0.71 0.17 2.12 2.01 -0.96 -2.80 115.64 114.62 1sx4 s THR 329 Ca 0.19 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 1sx4 s THR 329 Cb 0.28 -0.91 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1sx4 s THR 329 CO -0.09 -0.15 0.55 -0.89 -0.69 0.00 0.00 174.62 173.36 1sx4 s THR 330 N 2.62 4.87 -0.14 -0.82 2.01 0.73 -0.40 115.64 124.51 1sx4 s THR 330 Ca 0.13 0.76 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 1sx4 s THR 330 Cb -0.14 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.72 1sx4 s THR 330 CO -0.22 0.18 0.32 0.28 -0.69 0.00 0.00 174.62 174.48 1sx4 s THR 331 N -1.54 -0.21 -0.23 -0.82 -1.32 0.39 -1.39 115.64 110.53 1sx4 s THR 331 Ca 0.40 0.17 -0.13 0.00 -1.21 0.00 0.00 61.69 60.92 1sx4 s THR 331 Cb -0.14 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.31 1sx4 s THR 331 CO 0.19 0.07 0.26 -0.63 -2.21 0.00 0.00 174.62 172.30 1sx4 s ILE 332 N 1.76 5.29 -0.29 5.08 1.01 -1.00 -0.76 121.20 132.29 1sx4 s ILE 332 Ca -0.06 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1sx4 s ILE 332 Cb -0.10 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1sx4 s ILE 332 CO -0.10 0.30 0.17 -0.63 0.00 0.00 0.00 174.94 174.68 1sx4 s ILE 333 N 1.18 4.93 -0.30 2.92 1.01 0.06 -4.13 121.20 126.87 1sx4 s ILE 333 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 1sx4 s ILE 333 Cb -0.14 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1sx4 s ILE 333 CO 0.06 0.17 0.01 -0.67 0.00 0.00 0.00 174.94 174.50 1sx4 n ASP 334 N 5.02 -7.73 -4.86 3.58 2.03 -1.26 -2.86 116.55 110.47 1sx4 n ASP 334 Ca -0.14 1.41 -0.31 0.00 0.52 0.00 0.00 54.79 56.26 1sx4 n ASP 334 Cb 0.51 -5.24 -0.04 0.00 -0.72 0.00 0.00 41.12 35.63 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 -1.57 2.09 0.53 0.27 0.00 -1.26 -2.02 107.32 105.36 1sx4 s GLY 335 Ca -0.01 -0.07 0.31 0.00 0.00 0.00 0.00 44.72 44.96 1sx4 s GLY 335 CO 0.77 0.13 1.96 -2.08 0.00 0.00 0.00 173.10 173.88 1sx4 h VAL 336 N 1.36 0.15 -1.51 1.40 2.07 -1.35 -3.46 116.25 114.91 1sx4 h VAL 336 Ca -0.47 -0.64 -0.74 0.00 0.82 0.00 0.00 66.70 65.67 1sx4 h VAL 336 Cb 1.18 1.55 0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1sx4 h VAL 336 CO 0.64 0.05 0.75 0.61 0.02 0.00 0.00 177.57 179.65 1sx4 n GLY 337 N 0.01 0.68 3.77 2.17 0.00 -0.96 -4.84 105.19 106.02 1sx4 n GLY 337 Ca 0.00 0.88 -0.40 0.00 0.00 0.00 0.00 46.02 46.50 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 2.68 4.03 0.01 1.61 2.02 -1.26 -4.80 118.70 122.99 1sx4 s GLU 338 Ca 0.95 2.34 0.10 0.00 0.02 0.00 0.00 54.97 58.38 1sx4 s GLU 338 Cb -1.08 -2.86 0.43 0.00 0.10 0.00 0.00 34.13 30.71 1sx4 s GLU 338 CO 0.62 -0.50 1.32 0.39 0.02 0.00 0.00 175.26 177.11 1sx4 n GLU 339 N 0.30 0.01 0.20 1.61 1.02 -1.26 -1.41 120.64 121.09 1sx4 n GLU 339 Ca 0.02 0.34 -0.15 0.00 -0.02 0.00 0.00 57.16 57.36 1sx4 n GLU 339 Cb 0.42 -1.51 -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 2.32 -0.43 -0.07 0.62 0.00 -1.99 0.30 119.26 120.02 1sx4 h ALA 340 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 340 Cb 0.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sx4 h ALA 340 CO 0.00 -0.74 -0.80 0.00 0.00 0.00 0.00 179.25 177.71 1sx4 h ALA 341 N 0.25 0.46 0.75 0.00 0.00 -1.61 -2.83 119.26 116.29 1sx4 h ALA 341 Ca -0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1sx4 h ALA 341 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 341 CO 0.07 0.76 -0.40 0.82 0.00 0.00 0.00 179.25 180.50 1sx4 h ILE 342 N 0.32 0.18 -0.84 0.00 2.04 -1.32 -1.80 117.51 116.10 1sx4 h ILE 342 Ca -0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1sx4 h ILE 342 Cb 1.41 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1sx4 h ILE 342 CO 0.14 0.00 0.55 -0.61 0.00 0.00 0.00 178.15 178.23 1sx4 h GLN 343 N -1.07 0.64 0.46 2.37 5.75 -1.03 -1.93 115.11 120.29 1sx4 h GLN 343 Ca -0.10 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1sx4 h GLN 343 Cb 0.84 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.25 1sx4 h GLN 343 CO 0.14 0.42 -0.22 0.78 -2.65 0.00 0.00 178.83 177.30 1sx4 h GLY 344 N 0.66 -0.64 1.40 2.39 0.00 -1.34 -0.99 103.07 104.54 1sx4 h GLY 344 Ca 0.41 0.24 0.09 0.00 0.00 0.00 0.00 47.33 48.06 1sx4 h GLY 344 CO -0.17 -0.23 0.22 -0.09 0.00 0.00 0.00 176.54 176.27 1sx4 h ARG 345 N -0.91 0.00 -0.13 4.80 9.65 -1.10 0.23 114.38 126.91 1sx4 h ARG 345 Ca -0.06 0.00 -0.19 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 29.16 1sx4 h ARG 345 CO 0.10 0.00 -0.68 0.28 2.80 0.00 0.00 179.97 182.47 1sx4 h VAL 346 N 0.00 1.33 0.00 0.20 2.07 -1.28 -2.69 116.25 115.89 1sx4 h VAL 346 Ca 0.14 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1sx4 h VAL 346 Cb 0.58 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1sx4 h VAL 346 CO -0.00 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1sx4 n ALA 347 N -2.54 1.73 -0.08 1.67 0.00 0.00 -1.41 120.51 119.88 1sx4 n ALA 347 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1sx4 n ALA 347 Cb 0.68 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.26 -3.35 115.11 114.70 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 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1sx4 h GLN 348 CO 0.00 0.72 0.00 -0.89 -0.67 0.00 0.00 178.83 177.99 1sx4 n ILE 349 N -4.57 0.75 -0.09 2.54 5.41 -1.03 -1.88 119.36 120.50 1sx4 n ILE 349 Ca -0.16 0.19 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 1sx4 n ILE 349 Cb 0.46 -0.95 -0.02 0.00 -0.71 0.00 0.00 39.64 38.42 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 0.42 -0.01 0.38 9.65 -1.36 -3.22 114.38 120.23 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 0.17 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1sx4 h ARG 350 CO 0.00 0.37 -0.34 1.04 2.80 0.00 0.00 179.97 183.83 1sx4 n GLN 351 N -4.81 0.71 -0.29 0.20 6.02 -0.78 -3.83 117.38 114.59 1sx4 n GLN 351 Ca -0.02 -0.44 -0.06 0.00 -0.01 0.00 0.00 57.00 56.47 1sx4 n GLN 351 Cb 0.08 -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 1.08 1.20 -0.10 -1.09 1.08 -1.51 -2.68 115.11 113.08 1sx4 h GLN 352 Ca 0.00 -0.22 -0.18 0.00 -1.45 0.00 0.00 58.65 56.80 1sx4 h GLN 352 Cb 0.53 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1sx4 h GLN 352 CO 0.00 0.97 -0.69 0.82 -0.95 0.00 0.00 178.83 178.98 1sx4 h ILE 353 N 1.17 1.36 -0.90 2.54 2.04 -1.66 -1.20 117.51 120.86 1sx4 h ILE 353 Ca 0.27 -2.05 0.01 0.00 1.00 0.00 0.00 64.86 64.09 1sx4 h ILE 353 Cb 0.22 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1sx4 h ILE 353 CO -0.02 0.62 0.59 -0.33 0.00 0.00 0.00 178.15 179.01 1sx4 h GLU 354 N 0.32 1.17 -0.51 2.37 4.39 -1.62 -2.90 114.58 117.80 1sx4 h GLU 354 Ca -0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sx4 h GLU 354 Cb 1.26 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1sx4 h GLU 354 CO 0.12 0.77 0.00 0.39 -1.16 0.00 0.00 179.01 179.14 1sx4 n GLU 355 N -4.47 3.04 -2.16 2.33 1.02 -1.03 -4.87 120.64 114.50 1sx4 n GLU 355 Ca 0.10 -2.49 -0.35 0.00 -0.02 0.00 0.00 57.16 54.40 1sx4 n GLU 355 Cb 0.02 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.38 2.10 -2.00 0.62 0.00 -0.45 -4.83 121.76 115.83 1sx4 s ALA 356 Ca 0.39 -1.26 0.13 0.00 0.00 0.00 0.00 51.96 51.22 1sx4 s ALA 356 Cb 0.23 -4.42 0.76 0.00 0.00 0.00 0.00 23.12 19.68 1sx4 s ALA 356 CO 0.22 -4.15 1.28 0.25 0.00 0.00 0.00 175.76 173.36 1sx4 n THR 357 N 7.33 0.00 -4.69 0.00 -2.24 -1.26 -4.79 114.28 108.63 1sx4 n THR 357 Ca 0.27 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.75 1sx4 n THR 357 Cb 0.50 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.69 3.86 -0.21 3.42 0.15 -1.26 -5.09 113.70 112.88 1sx4 s SER 358 Ca 0.19 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1sx4 s SER 358 Cb 0.09 0.28 -0.20 0.00 -1.71 0.00 0.00 66.02 64.48 1sx4 s SER 358 CO 0.15 -0.76 -0.03 0.47 1.20 0.00 0.00 173.24 174.27 1sx4 n ASP 359 N -1.18 1.93 0.07 5.45 8.00 -1.26 -4.29 116.55 125.27 1sx4 n ASP 359 Ca -0.14 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 1sx4 n ASP 359 Cb 0.67 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.47 0.00 1.24 3.20 -1.98 -3.17 116.97 116.75 1sx4 h TYR 360 Ca -0.53 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.11 1sx4 h TYR 360 Cb 1.96 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 40.16 1sx4 h TYR 360 CO 0.04 1.02 0.00 -0.25 -1.64 0.00 0.00 178.16 177.33 1sx4 n ASP 361 N -3.76 0.00 -0.09 -2.11 9.92 -1.26 -3.19 116.55 116.06 1sx4 n ASP 361 Ca -0.05 -0.54 -0.13 0.00 -0.53 0.00 0.00 54.79 53.55 1sx4 n ASP 361 Cb 0.77 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.17 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 -0.96 0.43 0.18 -1.24 0.63 -1.20 -4.37 116.66 110.13 1sx4 n ARG 362 Ca 0.11 0.10 -0.14 0.00 -0.92 0.00 0.00 57.85 57.00 1sx4 n ARG 362 Cb 0.05 -1.34 -0.07 0.00 0.45 0.00 0.00 32.46 31.55 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 -0.04 -0.57 -0.71 -0.14 4.39 -1.53 -2.62 114.58 113.37 1sx4 h GLU 363 Ca -0.39 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.36 1sx4 h GLU 363 Cb 1.59 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.33 1sx4 h GLU 363 CO -0.07 -0.38 0.46 0.87 -1.16 0.00 0.00 179.01 178.73 1sx4 h LYS 364 N -0.59 0.89 -0.27 2.33 1.79 -1.83 -1.60 116.57 117.29 1sx4 h LYS 364 Ca -0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1sx4 h LYS 364 Cb 0.55 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1sx4 h LYS 364 CO -0.08 0.59 0.13 -0.07 -1.08 0.00 0.00 179.45 178.94 1sx4 h LEU 365 N 0.91 0.35 -1.38 2.94 3.38 -1.75 -1.12 115.31 118.64 1sx4 h LEU 365 Ca 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1sx4 h LEU 365 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1sx4 h LEU 365 CO -0.08 0.37 0.27 1.56 0.09 0.00 0.00 178.44 180.64 1sx4 h GLN 366 N 0.30 0.69 0.81 1.13 4.20 -1.22 0.15 115.11 121.17 1sx4 h GLN 366 Ca 0.09 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1sx4 h GLN 366 Cb 0.11 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1sx4 h GLN 366 CO -0.01 0.52 -0.45 0.93 -0.67 0.00 0.00 178.83 179.14 1sx4 h GLU 367 N 0.70 -1.13 -0.81 1.46 5.08 -0.79 -2.63 114.58 116.46 1sx4 h GLU 367 Ca 0.18 0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1sx4 h GLU 367 Cb 0.03 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 1sx4 h GLU 367 CO -0.03 -0.75 0.43 0.00 -1.00 0.00 0.00 179.01 177.66 1sx4 h ARG 368 N -1.17 0.67 -0.97 2.33 3.08 -0.72 0.11 114.38 117.72 1sx4 h ARG 368 Ca -0.11 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.03 1sx4 h ARG 368 Cb 0.92 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.74 1sx4 h ARG 368 CO 0.14 0.45 0.62 -0.39 -1.07 0.00 0.00 179.97 179.72 1sx4 h VAL 369 N 0.70 0.90 -0.10 2.04 -1.51 -0.86 -1.46 116.25 115.96 1sx4 h VAL 369 Ca 0.41 -0.31 -0.20 0.00 -1.23 0.00 0.00 66.70 65.36 1sx4 h VAL 369 Cb 0.45 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.52 1sx4 h VAL 369 CO -0.29 0.17 -0.76 0.00 -1.23 0.00 0.00 177.57 175.46 1sx4 h ALA 370 N 1.56 0.49 0.00 5.19 0.00 -0.44 0.35 119.26 126.40 1sx4 h ALA 370 Ca 0.48 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1sx4 h ALA 370 Cb 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 370 CO -0.25 0.74 -0.13 0.87 0.00 0.00 0.00 179.25 180.48 1sx4 h LYS 371 N 0.36 0.00 0.00 0.00 1.57 -0.56 -2.82 116.57 115.13 1sx4 h LYS 371 Ca -0.04 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.38 1sx4 h LYS 371 Cb 1.36 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.60 1sx4 h LYS 371 CO 0.14 0.13 -2.35 1.28 -0.57 0.00 0.00 179.45 178.07 1sx4 n LEU 372 N -3.32 0.32 0.00 2.94 4.77 -0.63 -3.50 117.00 117.58 1sx4 n LEU 372 Ca -0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1sx4 n LEU 372 Cb 0.35 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1sx4 n LEU 372 CO 0.30 0.53 0.00 0.00 -1.33 0.00 0.00 177.39 176.89 1sx4 n ALA 373 N -2.78 0.08 -1.43 -1.18 0.00 0.12 -5.02 120.51 110.30 1sx4 n ALA 373 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 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 2.83 0.69 3.24 0.00 0.00 -1.07 -4.97 105.19 105.92 1sx4 n GLY 374 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.70 -0.12 -0.02 0.00 -1.18 -4.18 107.32 103.52 1sx4 s GLY 375 Ca 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 44.72 42.92 1sx4 s GLY 375 CO 0.00 -1.39 -0.10 0.14 0.00 0.00 0.00 173.10 171.74 1sx4 s VAL 376 N -3.90 3.32 -0.01 1.40 1.01 -1.23 -3.55 120.40 117.44 1sx4 s VAL 376 Ca 0.39 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1sx4 s VAL 376 Cb 0.05 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1sx4 s VAL 376 CO 0.17 0.53 -0.24 0.00 0.00 0.00 0.00 175.10 175.57 1sx4 s ALA 377 N 0.09 1.97 -0.08 5.51 0.00 -0.25 -1.17 121.76 127.83 1sx4 s ALA 377 Ca -0.04 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1sx4 s ALA 377 Cb -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1sx4 s ALA 377 CO 0.04 0.48 -0.23 0.08 0.00 0.00 0.00 175.76 176.14 1sx4 s VAL 378 N -0.58 1.92 -0.12 0.00 1.01 -0.00 -1.96 120.40 120.66 1sx4 s VAL 378 Ca 0.09 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1sx4 s VAL 378 Cb -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1sx4 s VAL 378 CO -0.01 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1sx4 s ILE 379 N 0.24 4.88 -0.24 2.22 1.01 0.82 -1.31 121.20 128.82 1sx4 s ILE 379 Ca -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1sx4 s ILE 379 Cb -0.16 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1sx4 s ILE 379 CO 0.07 0.57 -0.01 -0.54 0.00 0.00 0.00 174.94 175.02 1sx4 s LYS 380 N -0.59 3.30 -0.10 2.79 1.02 0.66 -1.81 119.74 125.01 1sx4 s LYS 380 Ca 0.11 -0.68 -0.27 0.00 0.02 0.00 0.00 55.97 55.14 1sx4 s LYS 380 Cb -0.12 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1sx4 s LYS 380 CO 0.02 -0.26 0.91 0.08 -0.92 0.00 0.00 175.35 175.18 1sx4 s VAL 381 N 1.48 4.86 0.10 3.17 1.01 -1.17 -0.93 120.40 128.93 1sx4 s VAL 381 Ca 0.05 1.84 -0.07 0.00 0.00 0.00 0.00 61.98 63.80 1sx4 s VAL 381 Cb -0.15 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1sx4 s VAL 381 CO -0.02 0.07 0.38 -0.83 0.00 0.00 0.00 175.10 174.70 1sx4 s GLY 382 N 1.06 2.28 -0.08 4.51 0.00 -1.26 -1.63 107.32 112.19 1sx4 s GLY 382 Ca 0.44 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 1sx4 s GLY 382 CO 0.18 -0.34 0.74 0.00 0.00 0.00 0.00 173.10 173.68 1sx4 s ALA 383 N -1.52 -1.80 0.05 3.20 0.00 -1.19 -4.79 121.76 115.70 1sx4 s ALA 383 Ca 0.37 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.55 1sx4 s ALA 383 Cb -0.13 -0.21 -0.14 0.00 0.00 0.00 0.00 23.12 22.64 1sx4 s ALA 383 CO 0.21 -0.36 1.33 0.00 0.00 0.00 0.00 175.76 176.94 1sx4 h ALA 384 N 3.05 0.25 -0.44 0.00 0.00 -1.86 -3.42 119.26 116.83 1sx4 h ALA 384 Ca -0.26 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 53.68 1sx4 h ALA 384 Cb 1.15 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1sx4 h ALA 384 CO 0.35 0.20 -0.34 0.95 0.00 0.00 0.00 179.25 180.42 1sx4 s THR 385 N -4.18 1.49 -0.02 0.00 -4.23 -1.26 -5.06 115.64 102.38 1sx4 s THR 385 Ca -0.14 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1sx4 s THR 385 Cb 0.06 -2.08 -0.31 0.00 1.34 0.00 0.00 72.50 71.50 1sx4 s THR 385 CO 0.78 0.00 0.77 -0.08 -0.54 0.00 0.00 174.62 175.55 1sx4 h GLU 386 N 0.83 0.40 -0.46 3.99 4.81 -1.99 -2.85 114.58 119.31 1sx4 h GLU 386 Ca -0.38 -0.68 0.12 0.00 -0.13 0.00 0.00 59.36 58.29 1sx4 h GLU 386 Cb 1.31 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.92 1sx4 h GLU 386 CO 0.60 1.31 0.32 -0.39 -0.73 0.00 0.00 179.01 180.12 1sx4 h VAL 387 N 0.11 0.79 0.06 0.32 -1.51 -1.98 -2.51 116.25 111.53 1sx4 h VAL 387 Ca -0.31 -0.01 -0.15 0.00 -1.23 0.00 0.00 66.70 65.00 1sx4 h VAL 387 Cb 2.10 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1sx4 h VAL 387 CO 0.20 0.01 -0.72 -0.08 -1.23 0.00 0.00 177.57 175.75 1sx4 h GLU 388 N 0.04 0.13 -0.06 5.19 4.81 -1.96 -3.32 114.58 119.43 1sx4 h GLU 388 Ca 0.22 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1sx4 h GLU 388 Cb 0.81 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1sx4 h GLU 388 CO -0.01 1.11 -0.25 1.98 -0.73 0.00 0.00 179.01 181.11 1sx4 h MET 389 N -0.68 -0.35 -0.18 1.92 4.05 -1.26 0.58 114.93 119.01 1sx4 h MET 389 Ca -0.16 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1sx4 h MET 389 Cb 1.38 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 32.22 1sx4 h MET 389 CO 0.02 -0.23 -0.36 0.87 0.23 0.00 0.00 176.91 177.44 1sx4 h LYS 390 N -0.36 -0.31 0.30 0.39 1.57 -1.64 0.41 116.57 116.93 1sx4 h LYS 390 Ca 0.08 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1sx4 h LYS 390 Cb 0.47 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1sx4 h LYS 390 CO -0.26 -0.21 -0.27 1.49 -0.57 0.00 0.00 179.45 179.63 1sx4 h GLU 391 N -0.32 -0.57 -0.65 3.15 4.57 -1.62 -2.22 114.58 116.91 1sx4 h GLU 391 Ca 0.03 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1sx4 h GLU 391 Cb 0.42 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1sx4 h GLU 391 CO -0.34 -0.38 0.33 -0.22 -1.18 0.00 0.00 179.01 177.22 1sx4 h LYS 392 N -0.59 0.57 -0.12 1.92 1.63 -0.67 -1.69 116.57 117.62 1sx4 h LYS 392 Ca -0.01 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1sx4 h LYS 392 Cb 0.53 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1sx4 h LYS 392 CO -0.04 0.38 0.04 -0.22 -3.45 0.00 0.00 179.45 176.15 1sx4 h LYS 393 N 0.58 0.10 -0.47 1.90 3.64 -0.09 -2.13 116.57 120.10 1sx4 h LYS 393 Ca 0.31 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 1sx4 h LYS 393 Cb 0.28 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1sx4 h LYS 393 CO -0.23 0.06 0.08 0.00 -2.27 0.00 0.00 179.45 177.09 1sx4 h ALA 394 N 1.08 0.51 0.28 5.00 0.00 -1.10 0.11 119.26 125.13 1sx4 h ALA 394 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 394 Cb 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sx4 h ALA 394 CO -0.05 -0.32 -0.17 0.00 0.00 0.00 0.00 179.25 178.70 1sx4 h ARG 395 N 0.21 -0.42 -0.78 0.00 3.08 -0.94 0.14 114.38 115.68 1sx4 h ARG 395 Ca 0.23 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.47 1sx4 h ARG 395 Cb 0.31 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 1sx4 h ARG 395 CO -0.31 -0.28 0.30 0.28 -1.07 0.00 0.00 179.97 178.89 1sx4 h VAL 396 N -0.43 0.60 0.13 2.04 2.07 -1.04 0.19 116.25 119.81 1sx4 h VAL 396 Ca -0.03 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1sx4 h VAL 396 Cb 0.36 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1sx4 h VAL 396 CO 0.03 0.08 -0.38 -0.33 0.02 0.00 0.00 177.57 176.98 1sx4 h GLU 397 N 0.41 -0.60 -0.88 1.57 4.39 -0.53 0.69 114.58 119.64 1sx4 h GLU 397 Ca 0.44 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.30 1sx4 h GLU 397 Cb 0.71 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.36 1sx4 h GLU 397 CO -0.44 -0.40 -0.45 0.22 -1.16 0.00 0.00 179.01 176.79 1sx4 h ASP 398 N -0.62 -1.61 -0.36 1.42 3.58 0.45 -2.39 116.42 116.89 1sx4 h ASP 398 Ca 0.02 0.30 -0.17 0.00 0.42 0.00 0.00 57.03 57.60 1sx4 h ASP 398 Cb 0.64 0.78 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 1sx4 h ASP 398 CO -0.21 -0.29 -0.44 0.00 -2.88 0.00 0.00 179.24 175.42 1sx4 h ALA 399 N 0.97 0.53 -0.90 -0.78 0.00 -0.52 -2.00 119.26 116.57 1sx4 h ALA 399 Ca 0.26 -0.47 0.24 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 399 Cb 0.54 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 399 CO -0.89 0.68 0.33 1.25 0.00 0.00 0.00 179.25 180.62 1sx4 h LEU 400 N 0.74 0.19 -0.06 0.00 7.12 -0.54 0.18 115.31 122.93 1sx4 h LEU 400 Ca 0.05 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 1sx4 h LEU 400 Cb 1.04 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1sx4 h LEU 400 CO 0.10 -0.09 -0.05 0.45 -0.13 0.00 0.00 178.44 178.73 1sx4 h HIS 401 N 0.30 0.16 -0.67 1.25 3.86 -1.06 -2.84 115.15 116.15 1sx4 h HIS 401 Ca 0.57 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.73 1sx4 h HIS 401 Cb 1.15 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.55 1sx4 h HIS 401 CO -0.19 0.56 0.38 0.00 0.86 0.00 0.00 177.93 179.55 1sx4 h ALA 402 N 0.58 0.85 0.17 2.45 0.00 -0.28 -2.07 119.26 120.96 1sx4 h ALA 402 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 402 Cb 0.53 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1sx4 h ALA 402 CO 0.01 0.35 -0.29 1.79 0.00 0.00 0.00 179.25 181.11 1sx4 h THR 403 N 0.91 0.38 -0.38 0.00 1.35 -1.27 0.17 112.91 114.07 1sx4 h THR 403 Ca 0.24 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.21 1sx4 h THR 403 Cb 0.01 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.79 1sx4 h THR 403 CO -0.04 0.00 0.58 0.03 -0.25 0.00 0.00 175.52 175.84 1sx4 h ARG 404 N -0.54 0.00 0.15 4.72 2.47 -1.16 0.12 114.38 120.14 1sx4 h ARG 404 Ca 0.02 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.40 1sx4 h ARG 404 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1sx4 h ARG 404 CO -0.14 0.00 -1.73 0.00 0.56 0.00 0.00 179.97 178.66 1sx4 h ALA 405 N 1.20 0.26 -0.96 0.04 0.00 -0.41 -3.15 119.26 116.24 1sx4 h ALA 405 Ca 0.18 -1.19 0.01 0.00 0.00 0.00 0.00 54.91 53.92 1sx4 h ALA 405 Cb 1.34 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1sx4 h ALA 405 CO -0.00 1.12 0.64 0.00 0.00 0.00 0.00 179.25 181.01 1sx4 h ALA 406 N 0.25 1.22 -0.22 0.00 0.00 0.19 0.04 119.26 120.74 1sx4 h ALA 406 Ca -0.33 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1sx4 h ALA 406 Cb 2.07 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1sx4 h ALA 406 CO 0.16 0.62 -0.57 0.28 0.00 0.00 0.00 179.25 179.73 1sx4 h VAL 407 N 1.31 1.30 0.00 0.00 2.07 -1.37 0.26 116.25 119.83 1sx4 h VAL 407 Ca 0.35 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 1sx4 h VAL 407 Cb -0.15 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sx4 h VAL 407 CO -0.08 0.57 -1.00 1.05 0.02 0.00 0.00 177.57 178.13 1sx4 h GLU 408 N 0.52 0.00 0.00 1.57 4.11 -1.49 -3.43 114.58 115.87 1sx4 h GLU 408 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1sx4 h GLU 408 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1sx4 h GLU 408 CO 0.11 0.17 -0.07 -1.91 0.07 0.00 0.00 179.01 177.38 1sx4 n GLU 409 N -2.86 4.15 0.00 1.06 2.13 -0.01 -5.08 120.64 120.03 1sx4 n GLU 409 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1sx4 n GLU 409 Cb 0.68 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 32.02 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 0.74 -3.05 3.14 8.31 0.00 0.91 -4.53 105.19 110.72 1sx4 n GLY 410 Ca 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.54 0.76 0.23 1.61 -7.23 -0.92 0.23 120.40 114.54 1sx4 s VAL 411 Ca 0.00 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1sx4 s VAL 411 Cb 0.00 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1sx4 s VAL 411 CO 0.00 -0.61 0.23 0.68 -0.31 0.00 0.00 175.10 175.10 1sx4 s VAL 412 N -2.52 0.00 -0.04 1.32 -7.23 -0.84 -2.45 120.40 108.65 1sx4 s VAL 412 Ca 0.03 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 1sx4 s VAL 412 Cb -0.02 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 1sx4 s VAL 412 CO -0.01 0.00 1.45 0.00 -0.31 0.00 0.00 175.10 176.22 1sx4 s ALA 413 N -4.00 3.61 1.00 1.32 0.00 -1.26 -2.01 121.76 120.41 1sx4 s ALA 413 Ca 0.35 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1sx4 s ALA 413 Cb 0.05 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1sx4 s ALA 413 CO 0.13 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1sx4 n GLY 414 N 3.76 -1.37 2.36 0.00 0.00 -0.73 -1.20 105.19 108.01 1sx4 n GLY 414 Ca 0.14 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 4.53 1.07 2.29 -0.02 0.00 -1.26 -1.83 105.19 109.96 1sx4 n GLY 415 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.48 -0.04 0.11 -0.02 0.00 -1.26 -4.23 105.19 98.27 1sx4 n GLY 416 Ca -0.09 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 1.52 -0.64 1.61 3.04 -1.36 -2.83 116.25 117.60 1sx4 h VAL 417 Ca -0.34 -2.20 0.09 0.00 -1.01 0.00 0.00 66.70 63.24 1sx4 h VAL 417 Cb 1.22 2.91 -0.11 0.00 -2.01 0.00 0.00 31.29 33.30 1sx4 h VAL 417 CO 0.41 0.62 -0.44 0.00 -1.01 0.00 0.00 177.57 177.15 1sx4 h ALA 418 N 0.20 -0.30 -0.68 3.17 0.00 -1.41 0.15 119.26 120.39 1sx4 h ALA 418 Ca -0.07 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1sx4 h ALA 418 Cb 1.29 0.99 -0.06 0.00 0.00 0.00 0.00 17.79 20.01 1sx4 h ALA 418 CO 0.10 -0.82 0.36 -0.07 0.00 0.00 0.00 179.25 178.82 1sx4 h LEU 419 N -0.20 0.52 -1.44 0.00 4.07 -1.85 0.20 115.31 116.61 1sx4 h LEU 419 Ca 0.19 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 1sx4 h LEU 419 Cb 0.56 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1sx4 h LEU 419 CO -0.73 0.32 -0.01 -0.29 -1.08 0.00 0.00 178.44 176.65 1sx4 h ILE 420 N 0.65 1.15 0.05 1.22 2.10 -0.88 -1.55 117.51 120.26 1sx4 h ILE 420 Ca 0.31 -0.61 -0.00 0.00 1.08 0.00 0.00 64.86 65.64 1sx4 h ILE 420 Cb 0.24 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1sx4 h ILE 420 CO -0.21 0.20 -0.02 0.03 -1.08 0.00 0.00 178.15 177.07 1sx4 h ARG 421 N 0.34 -0.07 -0.03 2.19 2.47 0.11 -2.98 114.38 116.41 1sx4 h ARG 421 Ca 0.08 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1sx4 h ARG 421 Cb 0.25 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1sx4 h ARG 421 CO 0.01 0.48 0.02 -0.39 0.56 0.00 0.00 179.97 180.65 1sx4 h VAL 422 N -0.66 0.98 -0.64 2.04 -1.51 -0.33 0.80 116.25 116.93 1sx4 h VAL 422 Ca -0.01 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.52 1sx4 h VAL 422 Cb 0.57 0.98 -0.04 0.00 -2.13 0.00 0.00 31.29 30.68 1sx4 h VAL 422 CO 0.01 0.00 0.42 0.00 -1.23 0.00 0.00 177.57 176.77 1sx4 h ALA 423 N 1.98 1.75 0.00 5.19 0.00 -1.15 -1.37 119.26 125.67 1sx4 h ALA 423 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 423 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sx4 h ALA 423 CO -0.00 0.16 -0.44 0.66 0.00 0.00 0.00 179.25 179.62 1sx4 h SER 424 N 0.66 0.00 0.56 0.00 4.64 -0.72 -3.01 113.55 115.68 1sx4 h SER 424 Ca 0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1sx4 h SER 424 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1sx4 h SER 424 CO -0.08 0.25 -0.25 0.11 -0.87 0.00 0.00 176.83 175.99 1sx4 h LYS 425 N 0.00 0.00 -0.45 4.77 1.57 -0.82 -2.90 116.57 118.74 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 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1sx4 h LYS 425 CO 0.03 0.25 0.00 1.28 -0.57 0.00 0.00 179.45 180.44 1sx4 n LEU 426 N -3.69 4.24 0.07 2.94 4.77 -0.93 -4.44 117.00 119.95 1sx4 n LEU 426 Ca -0.01 -2.61 0.20 0.00 -0.03 0.00 0.00 56.01 53.56 1sx4 n LEU 426 Cb 0.37 -0.51 0.63 0.00 -2.33 0.00 0.00 43.42 41.58 1sx4 n LEU 426 CO 0.34 0.73 1.18 0.00 -1.33 0.00 0.00 177.39 178.31 1sx4 h ALA 427 N 2.90 2.21 -0.26 -1.18 0.00 -1.38 -1.82 119.26 119.73 1sx4 h ALA 427 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 427 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sx4 h ALA 427 CO 0.22 -0.91 0.00 -0.25 0.00 0.00 0.00 179.25 178.31 1sx4 n ASP 428 N -3.38 2.85 -4.75 0.00 8.00 -1.26 -5.01 116.55 113.01 1sx4 n ASP 428 Ca 0.10 -1.84 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 1sx4 n ASP 428 Cb 0.84 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.19 4.40 0.14 0.64 2.96 -0.69 -5.03 118.68 119.91 1sx4 s LEU 429 Ca 0.26 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.78 1sx4 s LEU 429 Cb 0.16 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1sx4 s LEU 429 CO 0.22 -0.61 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.47 1sx4 s ARG 430 N -0.55 0.98 0.00 1.98 1.81 -1.26 -4.99 118.95 116.92 1sx4 s ARG 430 Ca 0.57 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1sx4 s ARG 430 Cb -0.40 -0.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.83 1sx4 s ARG 430 CO 0.43 -0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 1sx4 n GLY 431 N -0.15 5.38 0.00 -3.53 0.00 -1.26 -5.01 105.19 100.61 1sx4 n GLY 431 Ca -0.09 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.09 0.22 -3.63 1.61 6.02 -1.26 -4.87 117.38 115.38 1sx4 n GLN 432 Ca 0.00 0.08 -0.06 0.00 -0.01 0.00 0.00 57.00 57.01 1sx4 n GLN 432 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.71 -0.27 0.24 1.08 4.22 -1.26 -5.05 114.94 111.19 1sx4 s ASN 433 Ca 0.18 -0.22 -0.06 0.00 -2.14 0.00 0.00 52.86 50.62 1sx4 s ASN 433 Cb 0.15 0.45 0.29 0.00 1.28 0.00 0.00 41.25 43.42 1sx4 s ASN 433 CO 0.37 -0.78 1.87 -0.08 -2.04 0.00 0.00 177.10 176.44 1sx4 h GLU 434 N 2.00 1.03 -0.34 3.55 4.57 -2.00 -1.66 114.58 121.74 1sx4 h GLU 434 Ca -0.24 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1sx4 h GLU 434 Cb 1.24 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.54 1sx4 h GLU 434 CO 0.28 0.68 0.00 -0.44 -1.18 0.00 0.00 179.01 178.36 1sx4 h ASP 435 N 1.07 -0.13 -0.56 1.04 5.19 -1.96 0.46 116.42 121.53 1sx4 h ASP 435 Ca 0.36 0.08 0.14 0.00 -0.62 0.00 0.00 57.03 56.98 1sx4 h ASP 435 Cb 0.05 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 1sx4 h ASP 435 CO -0.13 -0.03 0.39 1.56 -3.12 0.00 0.00 179.24 177.91 1sx4 h GLN 436 N 0.10 0.13 -0.12 3.56 4.20 -1.49 0.10 115.11 121.59 1sx4 h GLN 436 Ca 0.16 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1sx4 h GLN 436 Cb 0.22 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1sx4 h GLN 436 CO -0.27 0.09 -0.21 -0.91 -0.67 0.00 0.00 178.83 176.85 1sx4 h ASN 437 N 0.13 0.40 -0.52 1.46 2.35 -0.59 0.46 115.58 119.27 1sx4 h ASN 437 Ca 0.27 -0.54 0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1sx4 h ASN 437 Cb 0.87 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 1sx4 h ASN 437 CO -0.03 0.87 0.20 0.58 -1.65 0.00 0.00 177.43 177.39 1sx4 h VAL 438 N -0.05 0.83 -0.56 2.81 2.07 -0.27 -0.89 116.25 120.20 1sx4 h VAL 438 Ca 0.01 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.49 1sx4 h VAL 438 Cb 0.79 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1sx4 h VAL 438 CO 0.05 0.07 0.14 1.23 0.02 0.00 0.00 177.57 179.08 1sx4 h GLY 439 N 0.38 0.72 0.99 2.17 0.00 -0.11 0.98 103.07 108.20 1sx4 h GLY 439 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1sx4 h GLY 439 CO -0.25 -0.07 0.16 -2.22 0.00 0.00 0.00 176.54 174.17 1sx4 h ILE 440 N 0.29 1.08 -0.31 2.60 2.04 0.28 -2.48 117.51 121.01 1sx4 h ILE 440 Ca 0.28 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1sx4 h ILE 440 Cb 0.39 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1sx4 h ILE 440 CO -0.34 0.08 0.03 0.11 0.00 0.00 0.00 178.15 178.02 1sx4 h LYS 441 N 0.33 0.47 -0.27 2.37 6.56 0.32 -1.36 116.57 125.00 1sx4 h LYS 441 Ca 0.09 -0.08 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 1sx4 h LYS 441 Cb -0.02 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.53 1sx4 h LYS 441 CO -0.02 0.48 -0.01 0.28 -2.06 0.00 0.00 179.45 178.12 1sx4 h VAL 442 N 0.46 0.80 -0.44 0.50 2.07 0.14 -1.77 116.25 118.00 1sx4 h VAL 442 Ca 0.10 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 1sx4 h VAL 442 Cb 0.26 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1sx4 h VAL 442 CO 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.52 1sx4 h ALA 443 N 1.23 0.60 -0.94 1.67 0.00 -1.13 -2.42 119.26 118.27 1sx4 h ALA 443 Ca 0.13 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 443 Cb 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1sx4 h ALA 443 CO -0.22 0.48 0.58 -0.07 0.00 0.00 0.00 179.25 180.02 1sx4 h LEU 444 N 0.67 0.87 -0.36 0.00 3.38 -0.93 -0.42 115.31 118.52 1sx4 h LEU 444 Ca 0.11 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1sx4 h LEU 444 Cb 0.62 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1sx4 h LEU 444 CO 0.04 0.49 -0.15 -0.09 0.09 0.00 0.00 178.44 178.82 1sx4 h ARG 445 N 0.97 0.74 -0.05 1.13 2.43 -1.09 -0.98 114.38 117.52 1sx4 h ARG 445 Ca 0.45 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1sx4 h ARG 445 Cb 0.38 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sx4 h ARG 445 CO -0.24 0.92 -0.05 0.00 -1.51 0.00 0.00 179.97 179.09 1sx4 h ALA 446 N 0.80 1.83 0.00 2.80 0.00 -0.79 -1.86 119.26 122.04 1sx4 h ALA 446 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 446 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1sx4 h ALA 446 CO 0.05 0.13 0.09 -1.33 0.00 0.00 0.00 179.25 178.19 1sx4 n MET 447 N -4.44 0.11 0.00 0.00 2.81 -0.27 0.13 117.12 115.47 1sx4 n MET 447 Ca -0.02 0.60 0.14 0.00 -1.81 0.00 0.00 57.70 56.61 1sx4 n MET 447 Cb 0.15 -1.96 0.62 0.00 -0.71 0.00 0.00 33.22 31.32 1sx4 n MET 447 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sx4 n GLU 448 N -2.13 0.42 0.25 0.03 1.02 -0.70 -4.00 120.64 115.53 1sx4 n GLU 448 Ca -0.01 -0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 56.87 1sx4 n GLU 448 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 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 3.39 -0.59 -0.98 0.62 0.00 0.94 -1.98 119.26 120.66 1sx4 h ALA 449 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 449 Cb 0.38 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1sx4 h ALA 449 CO 0.00 -0.78 0.61 -1.35 0.00 0.00 0.00 179.25 177.73 1sx4 h PRO 450 N -0.68 0.99 -0.48 0.00 0.11 -1.79 0.47 132.00 130.62 1sx4 h PRO 450 Ca -0.06 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.86 1sx4 h PRO 450 Cb 0.50 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1sx4 h PRO 450 CO 0.10 0.66 -0.21 1.25 -0.21 0.00 0.00 178.00 179.59 1sx4 h LEU 451 N 1.02 0.99 -0.75 2.35 6.46 -1.71 -0.83 115.31 122.84 1sx4 h LEU 451 Ca 0.46 -0.37 -0.10 0.00 -0.12 0.00 0.00 57.88 57.76 1sx4 h LEU 451 Cb 0.38 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1sx4 h LEU 451 CO -0.24 1.16 -0.09 0.03 -0.62 0.00 0.00 178.44 178.68 1sx4 h ARG 452 N 0.84 0.86 -0.10 1.25 3.08 0.60 -1.51 114.38 119.40 1sx4 h ARG 452 Ca 0.11 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 1sx4 h ARG 452 Cb 0.78 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1sx4 h ARG 452 CO 0.06 0.92 -0.58 1.96 -1.07 0.00 0.00 179.97 181.26 1sx4 h GLN 453 N 0.78 0.34 -0.75 0.04 1.08 -0.68 -2.49 115.11 113.43 1sx4 h GLN 453 Ca 0.13 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1sx4 h GLN 453 Cb 0.60 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1sx4 h GLN 453 CO 0.04 0.82 0.48 0.82 -0.95 0.00 0.00 178.83 180.04 1sx4 h ILE 454 N 0.25 1.20 -0.22 2.54 2.04 -0.64 -0.33 117.51 122.35 1sx4 h ILE 454 Ca -0.00 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 1sx4 h ILE 454 Cb 1.10 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1sx4 h ILE 454 CO 0.10 0.20 -0.53 0.58 0.00 0.00 0.00 178.15 178.50 1sx4 h VAL 455 N 1.02 1.31 -0.17 1.67 2.07 -1.24 -3.04 116.25 117.87 1sx4 h VAL 455 Ca 0.27 -1.75 -0.12 0.00 0.82 0.00 0.00 66.70 65.92 1sx4 h VAL 455 Cb -0.09 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1sx4 h VAL 455 CO -0.06 0.55 -0.41 0.25 0.02 0.00 0.00 177.57 177.93 1sx4 h LEU 456 N 0.50 0.42 -1.16 2.57 5.85 -0.98 -1.85 115.31 120.65 1sx4 h LEU 456 Ca 0.02 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1sx4 h LEU 456 Cb 1.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1sx4 h LEU 456 CO 0.10 0.79 0.00 0.78 -0.34 0.00 0.00 178.44 179.77 1sx4 h ASN 457 N 0.33 0.00 -0.04 1.25 -0.26 -1.00 -0.21 115.58 115.65 1sx4 h ASN 457 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1sx4 h ASN 457 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1sx4 h ASN 457 CO 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.44 1sx4 n GLY 459 N 1.13 1.48 2.16 0.00 0.00 -0.09 -5.02 105.19 104.86 1sx4 n GLY 459 Ca 0.19 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.51 0.99 -3.22 1.61 1.02 -1.10 -5.03 120.64 112.39 1sx4 n GLU 460 Ca -0.19 -1.92 -0.43 0.00 -0.02 0.00 0.00 57.16 54.60 1sx4 n GLU 460 Cb 0.62 0.15 -0.08 0.00 -0.02 0.00 0.00 31.44 32.12 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 -3.31 3.16 0.36 3.49 2.02 -1.26 -4.01 118.70 119.16 1sx4 s GLU 461 Ca 0.20 -0.64 0.10 0.00 0.02 0.00 0.00 54.97 54.65 1sx4 s GLU 461 Cb -0.02 -3.98 0.86 0.00 0.10 0.00 0.00 34.13 31.09 1sx4 s GLU 461 CO 0.13 -0.96 1.87 -1.35 0.02 0.00 0.00 175.26 174.97 1sx4 h PRO 462 N 8.82 0.63 0.00 0.39 0.11 -1.86 -0.71 132.00 139.38 1sx4 h PRO 462 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sx4 h PRO 462 Cb 1.10 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1sx4 h PRO 462 CO 0.85 0.42 -0.35 0.66 -0.21 0.00 0.00 178.00 179.37 1sx4 h SER 463 N 0.65 0.00 0.05 -2.05 4.64 -1.93 0.12 113.55 115.03 1sx4 h SER 463 Ca 0.44 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.56 1sx4 h SER 463 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1sx4 h SER 463 CO -0.20 0.05 -0.49 0.58 -0.87 0.00 0.00 176.83 175.90 1sx4 h VAL 464 N 0.00 1.55 0.57 0.95 2.07 -1.57 -2.46 116.25 117.36 1sx4 h VAL 464 Ca 0.00 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.11 1sx4 h VAL 464 Cb 0.77 3.15 0.01 0.00 -1.52 0.00 0.00 31.29 33.69 1sx4 h VAL 464 CO 0.00 0.61 -0.27 0.58 0.02 0.00 0.00 177.57 178.51 1sx4 h VAL 465 N -0.78 0.43 -0.64 2.57 2.07 -1.39 -1.60 116.25 116.92 1sx4 h VAL 465 Ca -0.11 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.45 1sx4 h VAL 465 Cb 1.27 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 1sx4 h VAL 465 CO 0.02 0.02 -0.20 0.00 0.02 0.00 0.00 177.57 177.43 1sx4 h ALA 466 N -0.41 0.34 -0.33 1.67 0.00 -0.91 -0.57 119.26 119.06 1sx4 h ALA 466 Ca -0.08 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1sx4 h ALA 466 Cb 0.61 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1sx4 h ALA 466 CO 0.13 -0.47 -0.19 -0.91 0.00 0.00 0.00 179.25 177.81 1sx4 h ASN 467 N -0.04 -0.62 -0.40 0.00 4.21 -1.23 0.92 115.58 118.42 1sx4 h ASN 467 Ca 0.30 0.14 -0.08 0.00 1.21 0.00 0.00 56.30 57.86 1sx4 h ASN 467 Cb 0.50 0.33 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 1sx4 h ASN 467 CO -0.68 -0.22 -0.04 0.71 -1.29 0.00 0.00 177.43 175.91 1sx4 h THR 468 N -0.14 1.25 -0.74 2.81 1.35 -0.93 0.13 112.91 116.64 1sx4 h THR 468 Ca 0.17 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.90 1sx4 h THR 468 Cb 0.40 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 1sx4 h THR 468 CO -0.41 0.37 0.24 0.58 -0.25 0.00 0.00 175.52 176.05 1sx4 h VAL 469 N 0.75 1.26 -0.56 6.82 2.07 -0.46 -2.43 116.25 123.70 1sx4 h VAL 469 Ca 0.14 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1sx4 h VAL 469 Cb 0.51 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1sx4 h VAL 469 CO 0.03 0.35 -0.01 0.11 0.02 0.00 0.00 177.57 178.07 1sx4 h LYS 470 N 1.09 0.97 0.00 1.57 1.57 0.12 -2.09 116.57 119.80 1sx4 h LYS 470 Ca 0.24 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1sx4 h LYS 470 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1sx4 h LYS 470 CO -0.01 0.96 0.13 0.41 -0.57 0.00 0.00 179.45 180.37 1sx4 n GLY 471 N -0.48 -0.74 0.00 3.86 0.00 0.42 -4.74 105.19 103.51 1sx4 n GLY 471 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.29 1.75 3.29 -0.02 0.00 -0.79 -5.09 105.19 103.04 1sx4 n GLY 472 Ca -0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.22 0.09 1.61 -0.00 -1.26 -5.05 116.67 110.85 1sx4 s ASP 473 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 52.55 52.50 1sx4 s ASP 473 Cb 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 42.92 43.31 1sx4 s ASP 473 CO 0.00 -0.62 0.00 0.61 -0.00 0.00 0.00 175.17 175.16 1sx4 n GLY 474 N 0.63 2.08 1.48 0.21 0.00 -1.26 -1.44 105.19 106.90 1sx4 n GLY 474 Ca -0.19 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 3.00 4.78 -4.73 1.61 5.03 -1.26 -4.92 115.26 118.77 1sx4 n ASN 475 Ca 0.00 -2.68 -0.42 0.00 0.87 0.00 0.00 54.58 52.35 1sx4 n ASN 475 Cb 0.00 -0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 38.15 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 -2.27 3.06 0.36 3.10 5.04 -0.52 -0.50 117.35 125.62 1sx4 s TYR 476 Ca 0.49 0.87 -0.10 0.00 -2.44 0.00 0.00 57.07 55.88 1sx4 s TYR 476 Cb 0.35 -3.84 0.04 0.00 0.35 0.00 0.00 41.96 38.85 1sx4 s TYR 476 CO 0.18 -2.92 0.66 0.41 -1.34 0.00 0.00 175.55 172.54 1sx4 n GLY 477 N 2.94 1.38 3.65 8.97 0.00 0.10 -4.75 105.19 117.48 1sx4 n GLY 477 Ca 0.10 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1sx4 n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sx4 s TYR 478 N -2.73 3.31 -0.68 1.61 5.04 -1.26 -1.44 117.35 121.20 1sx4 s TYR 478 Ca 0.19 0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 54.85 1sx4 s TYR 478 Cb -0.04 -2.33 0.06 0.00 0.35 0.00 0.00 41.96 40.00 1sx4 s TYR 478 CO 0.14 0.01 1.07 1.21 -1.34 0.00 0.00 175.55 176.64 1sx4 s ASN 479 N 1.17 6.18 0.34 4.32 3.84 0.40 -4.87 114.94 126.30 1sx4 s ASN 479 Ca 0.09 -0.79 0.03 0.00 0.21 0.00 0.00 52.86 52.40 1sx4 s ASN 479 Cb -0.14 -2.47 0.59 0.00 -0.55 0.00 0.00 41.25 38.69 1sx4 s ASN 479 CO 0.06 -1.57 1.93 0.00 -2.79 0.00 0.00 177.10 174.73 1sx4 h ALA 480 N 9.71 1.43 -0.26 1.71 0.00 -1.95 -0.26 119.26 129.63 1sx4 h ALA 480 Ca -0.28 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1sx4 h ALA 480 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sx4 h ALA 480 CO 1.21 0.44 -0.43 0.00 0.00 0.00 0.00 179.25 180.47 1sx4 h ALA 481 N 1.53 0.76 -0.37 0.00 0.00 -1.95 -3.20 119.26 116.02 1sx4 h ALA 481 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 481 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sx4 h ALA 481 CO -0.02 0.66 0.00 0.25 0.00 0.00 0.00 179.25 180.14 1sx4 n THR 482 N -4.02 1.71 -3.24 0.00 -2.24 -1.08 -4.95 114.28 100.47 1sx4 n THR 482 Ca -0.02 -1.40 -0.23 0.00 -2.27 0.00 0.00 64.05 60.12 1sx4 n THR 482 Cb 0.54 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.22 -1.12 -4.14 -0.78 0.28 -0.15 -4.95 120.64 110.01 1sx4 n GLU 483 Ca 0.19 0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 57.13 1sx4 n GLU 483 Cb 0.72 -3.20 -0.11 0.00 1.43 0.00 0.00 31.44 30.28 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 -4.90 0.75 0.71 3.44 -1.05 -0.97 -4.95 118.70 111.73 1sx4 s GLU 484 Ca 0.46 -1.06 -0.11 0.00 -0.15 0.00 0.00 54.97 54.11 1sx4 s GLU 484 Cb -0.27 -0.42 0.02 0.00 -0.44 0.00 0.00 34.13 33.01 1sx4 s GLU 484 CO 0.56 0.06 1.07 0.71 0.95 0.00 0.00 175.26 178.62 1sx4 s TYR 485 N -2.26 3.21 -3.25 4.83 1.51 -1.26 -0.46 117.35 119.67 1sx4 s TYR 485 Ca 0.02 1.21 0.00 0.00 -1.01 0.00 0.00 57.07 57.29 1sx4 s TYR 485 Cb -0.04 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.84 1sx4 s TYR 485 CO -0.01 -1.25 0.00 0.41 -1.11 0.00 0.00 175.55 173.60 1sx4 n GLY 486 N -2.47 -1.14 3.59 0.71 0.00 -0.52 -4.83 105.19 100.53 1sx4 n GLY 486 Ca 0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 6.60 0.35 1.61 3.84 -1.26 0.03 114.94 122.11 1sx4 s ASN 487 Ca 0.00 0.38 0.05 0.00 0.21 0.00 0.00 52.86 53.50 1sx4 s ASN 487 Cb 0.00 -2.45 0.70 0.00 -0.55 0.00 0.00 41.25 38.95 1sx4 s ASN 487 CO 0.00 -0.91 1.96 0.24 -2.79 0.00 0.00 177.10 175.60 1sx4 h MET 488 N 8.69 0.78 -0.24 0.43 2.86 -1.11 -1.67 114.93 124.67 1sx4 h MET 488 Ca -0.24 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.17 1sx4 h MET 488 Cb 1.08 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 1sx4 h MET 488 CO 0.99 0.52 -0.58 0.82 1.06 0.00 0.00 176.91 179.71 1sx4 h ILE 489 N 0.80 1.29 -0.68 -1.22 1.08 -1.83 -1.61 117.51 115.35 1sx4 h ILE 489 Ca 0.31 -1.79 -0.03 0.00 -0.39 0.00 0.00 64.86 62.95 1sx4 h ILE 489 Cb 0.20 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1sx4 h ILE 489 CO -0.10 0.57 0.29 0.44 -0.69 0.00 0.00 178.15 178.66 1sx4 h ASP 490 N 0.58 0.90 0.03 1.72 3.32 -1.85 -2.49 116.42 118.62 1sx4 h ASP 490 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1sx4 h ASP 490 Cb 1.17 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1sx4 h ASP 490 CO 0.12 0.79 0.00 0.23 -1.72 0.00 0.00 179.24 178.66 1sx4 n MET 491 N -4.31 0.88 -1.46 3.56 2.81 -0.66 -4.89 117.12 113.04 1sx4 n MET 491 Ca 0.06 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.88 1sx4 n MET 491 Cb 0.16 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.82 0.69 3.23 3.03 0.00 -0.94 -4.97 105.19 107.06 1sx4 n GLY 492 Ca 0.21 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.13 4.76 -3.84 -0.61 5.41 -0.62 -4.79 119.36 116.53 1sx4 n ILE 493 Ca -0.07 -5.43 -0.35 0.00 1.00 0.00 0.00 62.75 57.89 1sx4 n ILE 493 Cb 0.32 -2.42 -0.09 0.00 -0.71 0.00 0.00 39.64 36.75 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 -1.39 4.07 -0.05 1.39 1.43 -1.26 -1.77 118.68 121.10 1sx4 s LEU 494 Ca 0.33 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1sx4 s LEU 494 Cb -0.04 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1sx4 s LEU 494 CO -0.01 0.19 0.20 -1.81 0.23 0.00 0.00 176.35 175.15 1sx4 s ASP 495 N 0.28 6.44 0.21 2.29 1.01 -0.85 -4.68 116.67 121.37 1sx4 s ASP 495 Ca 0.07 0.50 -0.30 0.00 0.71 0.00 0.00 52.55 53.52 1sx4 s ASP 495 Cb -0.12 -2.07 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 1sx4 s ASP 495 CO -0.01 0.33 1.12 -2.84 0.21 0.00 0.00 175.17 173.98 1sx4 s PRO 496 N -1.45 4.59 0.06 8.23 0.02 -1.26 -1.99 135.00 143.19 1sx4 s PRO 496 Ca 0.22 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.78 1sx4 s PRO 496 Cb -0.13 -3.24 -0.16 0.00 0.02 0.00 0.00 34.50 30.98 1sx4 s PRO 496 CO 0.11 0.08 1.60 1.15 -0.33 0.00 0.00 177.00 179.62 1sx4 h THR 497 N 3.55 1.12 -1.83 0.99 2.02 0.27 -0.69 112.91 118.34 1sx4 h THR 497 Ca -0.45 -0.34 0.54 0.00 0.77 0.00 0.00 66.41 66.92 1sx4 h THR 497 Cb 1.21 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 1sx4 h THR 497 CO 0.71 0.09 1.30 0.50 0.37 0.00 0.00 175.52 178.50 1sx4 h LYS 498 N -0.14 0.00 0.10 6.66 3.64 -1.80 0.23 116.57 125.27 1sx4 h LYS 498 Ca 0.00 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1sx4 h LYS 498 Cb 0.15 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1sx4 h LYS 498 CO -0.00 0.00 -0.95 -0.39 -2.27 0.00 0.00 179.45 175.84 1sx4 h VAL 499 N 0.01 1.34 -1.00 2.00 -1.51 -1.48 -2.24 116.25 113.36 1sx4 h VAL 499 Ca 0.89 -2.44 0.09 0.00 -1.23 0.00 0.00 66.70 64.01 1sx4 h VAL 499 Cb 3.51 2.99 -0.08 0.00 -2.13 0.00 0.00 31.29 35.57 1sx4 h VAL 499 CO -0.06 0.67 0.64 0.74 -1.23 0.00 0.00 177.57 178.33 1sx4 h THR 500 N -0.48 1.00 -0.41 7.19 2.02 -1.15 -0.46 112.91 120.63 1sx4 h THR 500 Ca -0.20 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 1sx4 h THR 500 Cb 1.58 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1sx4 h THR 500 CO 0.07 0.20 -0.07 -0.09 0.37 0.00 0.00 175.52 176.00 1sx4 h ARG 501 N 1.09 0.77 -0.18 6.66 1.12 -0.65 -2.60 114.38 120.58 1sx4 h ARG 501 Ca 0.46 -0.28 -0.08 0.00 -1.11 0.00 0.00 59.98 58.97 1sx4 h ARG 501 Cb 0.32 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1sx4 h ARG 501 CO -0.22 0.89 -0.21 0.77 -3.11 0.00 0.00 179.97 178.09 1sx4 h SER 502 N 0.60 0.50 -0.77 -3.80 0.02 -0.80 -1.38 113.55 107.93 1sx4 h SER 502 Ca 0.11 -0.49 0.17 0.00 -0.84 0.00 0.00 61.79 60.74 1sx4 h SER 502 Cb 0.58 -0.14 -0.12 0.00 0.14 0.00 0.00 62.40 62.86 1sx4 h SER 502 CO 0.03 0.89 0.19 0.00 -1.14 0.00 0.00 176.83 176.81 1sx4 h ALA 503 N 0.62 1.01 0.10 3.77 0.00 -1.14 -0.22 119.26 123.41 1sx4 h ALA 503 Ca 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sx4 h ALA 503 Cb 0.76 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1sx4 h ALA 503 CO 0.05 -0.36 -0.05 1.25 0.00 0.00 0.00 179.25 180.15 1sx4 h LEU 504 N 0.26 -0.11 0.39 0.00 6.46 -1.03 -2.51 115.31 118.77 1sx4 h LEU 504 Ca 0.44 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1sx4 h LEU 504 Cb 0.78 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1sx4 h LEU 504 CO -0.54 0.12 -0.36 1.56 -0.62 0.00 0.00 178.44 178.60 1sx4 h GLN 505 N -0.34 -0.74 -0.40 1.25 4.20 -0.64 -0.30 115.11 118.15 1sx4 h GLN 505 Ca -0.01 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1sx4 h GLN 505 Cb 0.28 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1sx4 h GLN 505 CO 0.02 -0.49 0.09 1.88 -0.67 0.00 0.00 178.83 179.66 1sx4 h TYR 506 N -0.76 0.67 -0.59 2.96 0.05 -1.15 0.24 116.97 118.38 1sx4 h TYR 506 Ca -0.03 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1sx4 h TYR 506 Cb 0.68 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1sx4 h TYR 506 CO -0.19 0.65 0.31 0.00 -1.05 0.00 0.00 178.16 177.88 1sx4 h ALA 507 N 0.94 0.76 -0.43 3.88 0.00 -1.36 -1.93 119.26 121.14 1sx4 h ALA 507 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 507 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sx4 h ALA 507 CO 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.40 1sx4 h ALA 508 N 1.14 0.92 -0.95 0.00 0.00 -0.38 -0.45 119.26 119.55 1sx4 h ALA 508 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sx4 h ALA 508 Cb 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1sx4 h ALA 508 CO -0.03 0.62 0.57 1.03 0.00 0.00 0.00 179.25 181.44 1sx4 h SER 509 N 0.71 1.14 0.04 0.00 0.87 0.20 0.49 113.55 117.01 1sx4 h SER 509 Ca 0.11 -0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.40 1sx4 h SER 509 Cb 0.66 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1sx4 h SER 509 CO 0.05 0.88 -1.06 -0.37 -0.53 0.00 0.00 176.83 175.79 1sx4 h VAL 510 N 1.31 1.13 -0.95 2.23 -1.51 -1.36 -3.33 116.25 113.78 1sx4 h VAL 510 Ca 0.34 -2.29 0.23 0.00 -1.23 0.00 0.00 66.70 63.76 1sx4 h VAL 510 Cb -0.05 2.63 -0.13 0.00 -2.13 0.00 0.00 31.29 31.61 1sx4 h VAL 510 CO -0.06 0.51 0.49 0.00 -1.23 0.00 0.00 177.57 177.29 1sx4 h ALA 511 N -0.23 1.62 -0.46 5.19 0.00 -0.94 0.28 119.26 124.71 1sx4 h ALA 511 Ca -0.26 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 511 Cb 1.40 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 1sx4 h ALA 511 CO -0.07 -0.31 -0.40 0.78 0.00 0.00 0.00 179.25 179.24 1sx4 h GLY 512 N 0.48 -0.44 0.88 0.00 0.00 -0.16 -1.85 103.07 101.98 1sx4 h GLY 512 Ca 0.60 0.52 -0.02 0.00 0.00 0.00 0.00 47.33 48.43 1sx4 h GLY 512 CO -0.51 -0.18 0.07 1.41 0.00 0.00 0.00 176.54 177.33 1sx4 h LEU 513 N -0.28 0.37 -1.31 3.11 3.38 -0.62 -2.99 115.31 116.98 1sx4 h LEU 513 Ca 0.16 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1sx4 h LEU 513 Cb 0.57 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1sx4 h LEU 513 CO -0.61 0.48 0.51 0.24 0.09 0.00 0.00 178.44 179.16 1sx4 h MET 514 N 0.24 0.80 0.00 1.13 2.86 -0.65 0.16 114.93 119.47 1sx4 h MET 514 Ca 0.08 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sx4 h MET 514 Cb 0.25 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1sx4 h MET 514 CO -0.00 0.53 0.00 0.44 1.06 0.00 0.00 176.91 178.94 1sx4 n ILE 515 N -4.49 0.00 -0.94 -1.22 -5.35 -0.75 -2.10 119.36 104.52 1sx4 n ILE 515 Ca 0.12 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.68 1sx4 n ILE 515 Cb 0.23 -0.51 0.31 0.00 -1.74 0.00 0.00 39.64 37.93 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 -0.97 2.43 -2.28 7.28 -2.24 0.58 -4.86 114.28 114.22 1sx4 n THR 516 Ca 0.21 -1.68 -0.42 0.00 -2.27 0.00 0.00 64.05 59.88 1sx4 n THR 516 Cb 0.10 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.75 3.56 0.00 4.28 2.01 -0.89 -4.91 115.64 116.93 1sx4 s THR 517 Ca 0.47 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.62 1sx4 s THR 517 Cb 0.36 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1sx4 s THR 517 CO 0.12 0.11 0.00 1.21 -0.69 0.00 0.00 174.62 175.37 1sx4 n GLU 518 N 3.62 2.53 -3.97 4.92 4.07 -1.26 -4.84 120.64 125.72 1sx4 n GLU 518 Ca 0.09 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.10 1sx4 n GLU 518 Cb 0.44 -0.79 -0.10 0.00 -0.06 0.00 0.00 31.44 30.93 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 -2.44 0.26 -0.06 0.00 -1.94 -0.08 -4.98 119.30 110.06 1sx4 s MET 520 Ca -0.07 0.50 0.04 0.00 -1.71 0.00 0.00 55.69 54.45 1sx4 s MET 520 Cb -0.02 -0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.80 1sx4 s MET 520 CO -0.04 -0.12 -0.17 0.08 -0.01 0.00 0.00 175.02 174.76 1sx4 s VAL 521 N 0.89 1.43 0.04 -6.03 1.01 -1.26 -0.40 120.40 116.09 1sx4 s VAL 521 Ca -0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1sx4 s VAL 521 Cb -0.07 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1sx4 s VAL 521 CO -0.06 0.42 0.13 1.07 0.00 0.00 0.00 175.10 176.66 1sx4 n THR 522 N 3.37 0.00 -2.84 3.92 5.66 -1.14 -5.01 114.28 118.24 1sx4 n THR 522 Ca -0.19 -0.12 -0.26 0.00 -3.05 0.00 0.00 64.05 60.43 1sx4 n THR 522 Cb 0.53 0.13 0.00 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 -1.32 6.16 0.33 1.09 1.11 -1.26 -0.86 116.67 121.91 1sx4 s ASP 523 Ca 0.03 0.71 -0.27 0.00 0.18 0.00 0.00 52.55 53.20 1sx4 s ASP 523 Cb -0.01 -2.06 -0.09 0.00 1.07 0.00 0.00 42.92 41.83 1sx4 s ASP 523 CO 0.01 -0.57 1.08 -0.76 1.18 0.00 0.00 175.17 176.12 1sx4 s LEU 524 N -4.64 4.39 0.00 1.23 1.43 -1.19 -4.41 118.68 115.50 1sx4 s LEU 524 Ca 0.46 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1sx4 s LEU 524 Cb -0.10 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1sx4 s LEU 524 CO 0.42 -0.28 0.31 -0.81 0.23 0.00 0.00 176.35 176.22