#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 -0.41 -2.62 0.00 0.00 -1.26 -4.95 120.51 111.26 1sx4 n ALA 3 Ca 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 1sx4 n ALA 3 Cb 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 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 -1.55 2.24 -0.37 0.00 -0.14 -1.26 -3.07 119.74 115.58 1sx4 s LYS 4 Ca 0.59 -1.27 -0.08 0.00 -1.36 0.00 0.00 55.97 53.85 1sx4 s LYS 4 Cb -0.70 -2.22 0.05 0.00 -1.68 0.00 0.00 37.83 33.28 1sx4 s LYS 4 CO 0.59 0.42 0.18 0.34 -0.76 0.00 0.00 175.35 176.13 1sx4 s ASP 5 N -3.13 5.53 -0.13 2.83 -1.08 -0.21 -4.80 116.67 115.69 1sx4 s ASP 5 Ca 0.28 -1.22 -0.07 0.00 -0.52 0.00 0.00 52.55 51.02 1sx4 s ASP 5 Cb -0.08 -1.95 -0.04 0.00 -1.46 0.00 0.00 42.92 39.39 1sx4 s ASP 5 CO 0.18 -0.41 0.11 0.68 0.52 0.00 0.00 175.17 176.25 1sx4 s VAL 6 N 1.45 5.28 0.01 1.11 -7.23 -1.26 -3.18 120.40 116.57 1sx4 s VAL 6 Ca 0.01 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1sx4 s VAL 6 Cb -0.20 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 1sx4 s VAL 6 CO 0.04 0.59 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.70 1sx4 s LYS 7 N -0.78 1.32 0.35 4.82 1.02 0.26 -4.98 119.74 121.75 1sx4 s LYS 7 Ca 0.13 -0.69 0.09 0.00 0.02 0.00 0.00 55.97 55.52 1sx4 s LYS 7 Cb -0.12 -1.31 -0.06 0.00 -0.52 0.00 0.00 37.83 35.82 1sx4 s LYS 7 CO 0.03 0.35 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.69 1sx4 s PHE 8 N -0.54 2.45 0.00 3.18 0.40 -1.26 -0.28 117.98 121.92 1sx4 s PHE 8 Ca 0.06 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1sx4 s PHE 8 Cb -0.07 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.02 1sx4 s PHE 8 CO 0.00 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.88 1sx4 n GLY 9 N -0.85 1.58 0.34 4.36 0.00 0.18 -1.43 105.19 109.37 1sx4 n GLY 9 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 1.09 -0.45 1.61 -1.24 -1.94 0.29 115.58 114.94 1sx4 h ASN 10 Ca 0.00 -0.13 0.04 0.00 0.71 0.00 0.00 56.30 56.92 1sx4 h ASN 10 Cb 0.00 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 1sx4 h ASN 10 CO 0.00 0.92 -0.27 0.47 -1.29 0.00 0.00 177.43 177.26 1sx4 n ASP 11 N -4.33 -0.48 -0.23 1.15 9.92 -1.21 -0.26 116.55 121.12 1sx4 n ASP 11 Ca 0.08 1.32 -0.08 0.00 -0.53 0.00 0.00 54.79 55.59 1sx4 n ASP 11 Cb 0.14 -0.36 0.04 0.00 -0.64 0.00 0.00 41.12 40.30 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 -0.30 0.90 -0.69 2.24 0.00 0.52 -2.66 119.26 119.28 1sx4 h ALA 12 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sx4 h ALA 12 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1sx4 h ALA 12 CO -0.42 0.67 0.43 0.00 0.00 0.00 0.00 179.25 179.92 1sx4 h ARG 13 N 1.02 0.93 -0.44 0.00 3.08 -0.29 1.00 114.38 119.67 1sx4 h ARG 13 Ca 0.19 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1sx4 h ARG 13 Cb 0.48 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1sx4 h ARG 13 CO 0.02 0.65 0.21 0.28 -1.07 0.00 0.00 179.97 180.05 1sx4 h VAL 14 N 0.94 0.95 0.20 2.04 2.07 -0.27 0.99 116.25 123.16 1sx4 h VAL 14 Ca 0.25 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1sx4 h VAL 14 Cb -0.05 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1sx4 h VAL 14 CO -0.05 0.08 -0.10 0.11 0.02 0.00 0.00 177.57 177.63 1sx4 h LYS 15 N 0.42 -0.26 -1.26 1.57 1.79 -1.29 -1.71 116.57 115.83 1sx4 h LYS 15 Ca 0.19 0.02 0.38 0.00 -2.18 0.00 0.00 60.65 59.06 1sx4 h LYS 15 Cb 0.12 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.72 1sx4 h LYS 15 CO -0.15 -0.04 0.83 1.98 -1.08 0.00 0.00 179.45 180.99 1sx4 h MET 16 N -0.44 0.16 0.09 3.15 4.05 0.15 0.14 114.93 122.22 1sx4 h MET 16 Ca -0.03 -0.01 -0.28 0.00 -0.28 0.00 0.00 59.70 59.10 1sx4 h MET 16 Cb 0.34 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1sx4 h MET 16 CO 0.05 0.11 -1.39 1.25 0.23 0.00 0.00 176.91 177.16 1sx4 h LEU 17 N 0.17 0.28 -0.79 3.39 5.85 -0.16 -1.88 115.31 122.17 1sx4 h LEU 17 Ca 0.73 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 59.17 1sx4 h LEU 17 Cb 2.28 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 43.15 1sx4 h LEU 17 CO -0.32 1.30 0.46 0.03 -0.34 0.00 0.00 178.44 179.57 1sx4 h ARG 18 N 0.05 0.77 0.31 1.25 3.08 0.09 0.86 114.38 120.80 1sx4 h ARG 18 Ca -0.18 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1sx4 h ARG 18 Cb 1.96 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 1sx4 h ARG 18 CO 0.16 0.51 -0.43 0.78 -1.07 0.00 0.00 179.97 179.91 1sx4 h GLY 19 N 0.80 -1.18 -0.14 0.04 0.00 -1.22 0.33 103.07 101.70 1sx4 h GLY 19 Ca 0.37 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.36 1sx4 h GLY 19 CO -0.22 -0.34 -0.26 -2.08 0.00 0.00 0.00 176.54 173.65 1sx4 h VAL 20 N -0.78 0.31 -0.12 4.60 2.07 -0.93 -2.71 116.25 118.68 1sx4 h VAL 20 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1sx4 h VAL 20 Cb 0.70 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1sx4 h VAL 20 CO -0.12 0.00 -0.51 0.78 0.02 0.00 0.00 177.57 177.74 1sx4 h ASN 21 N -0.17 -1.61 -0.65 0.57 -0.26 -0.41 0.79 115.58 113.84 1sx4 h ASN 21 Ca 0.20 0.19 0.13 0.00 -0.56 0.00 0.00 56.30 56.26 1sx4 h ASN 21 Cb 0.49 0.63 -0.12 0.00 -1.06 0.00 0.00 38.32 38.25 1sx4 h ASN 21 CO -0.54 -0.45 -0.21 0.58 -1.06 0.00 0.00 177.43 175.75 1sx4 h VAL 22 N -0.54 0.28 0.94 2.81 2.07 -0.80 1.30 116.25 122.31 1sx4 h VAL 22 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1sx4 h VAL 22 Cb 0.63 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1sx4 h VAL 22 CO -0.41 0.00 -0.45 0.25 0.02 0.00 0.00 177.57 176.98 1sx4 h LEU 23 N -0.04 -1.07 -0.88 2.57 7.12 -1.13 -2.27 115.31 119.62 1sx4 h LEU 23 Ca 0.30 0.04 0.22 0.00 0.13 0.00 0.00 57.88 58.57 1sx4 h LEU 23 Cb 0.51 0.28 -0.13 0.00 -0.53 0.00 0.00 40.66 40.79 1sx4 h LEU 23 CO -0.69 -0.74 0.34 0.00 -0.13 0.00 0.00 178.44 177.22 1sx4 h ALA 24 N -1.29 1.35 0.00 1.25 0.00 0.20 0.38 119.26 121.15 1sx4 h ALA 24 Ca -0.13 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 24 Cb 0.97 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sx4 h ALA 24 CO 0.21 -0.37 -0.15 -0.44 0.00 0.00 0.00 179.25 178.49 1sx4 h ASP 25 N 0.34 0.00 1.26 0.00 3.32 0.18 -0.54 116.42 120.98 1sx4 h ASP 25 Ca 0.54 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 1sx4 h ASP 25 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1sx4 h ASP 25 CO -0.56 0.15 -0.24 0.00 -1.72 0.00 0.00 179.24 176.87 1sx4 h ALA 26 N 1.85 0.92 0.00 3.45 0.00 0.32 -3.31 119.26 122.49 1sx4 h ALA 26 Ca -0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 1sx4 h ALA 26 Cb 0.74 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 26 CO 0.02 0.30 -1.46 0.28 0.00 0.00 0.00 179.25 178.40 1sx4 h VAL 27 N 0.00 1.12 -0.02 0.00 2.07 -0.35 -3.33 116.25 115.73 1sx4 h VAL 27 Ca -0.00 -2.91 -0.09 0.00 0.82 0.00 0.00 66.70 64.52 1sx4 h VAL 27 Cb 0.94 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1sx4 h VAL 27 CO 0.03 0.64 -0.42 0.11 0.02 0.00 0.00 177.57 177.95 1sx4 h LYS 28 N 0.00 0.05 0.00 1.57 1.57 -1.33 -2.90 116.57 115.54 1sx4 h LYS 28 Ca -0.19 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 28 Cb 1.92 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.22 1sx4 h LYS 28 CO 0.09 0.47 -0.01 -0.39 -0.57 0.00 0.00 179.45 179.04 1sx4 h VAL 29 N 0.05 0.12 -0.28 0.50 -1.51 -1.69 0.26 116.25 113.70 1sx4 h VAL 29 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1sx4 h VAL 29 Cb 0.76 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1sx4 h VAL 29 CO 0.06 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 176.76 1sx4 n THR 30 N -3.24 0.37 -2.88 7.19 -2.24 -1.09 -1.91 114.28 110.48 1sx4 n THR 30 Ca -0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1sx4 n THR 30 Cb 0.12 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.24 4.13 0.00 3.22 2.96 0.08 -4.41 118.68 123.42 1sx4 s LEU 31 Ca 0.28 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 1sx4 s LEU 31 Cb 0.15 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1sx4 s LEU 31 CO 0.21 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 1sx4 n GLY 32 N 3.56 0.44 0.32 7.98 0.00 -1.26 -4.03 105.19 112.20 1sx4 n GLY 32 Ca 0.05 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 0.53 -1.10 1.61 0.13 -1.92 0.12 132.00 131.37 1sx4 h PRO 33 Ca 0.00 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.79 1sx4 h PRO 33 Cb 0.00 -0.12 -0.17 0.00 0.13 0.00 0.00 31.00 30.84 1sx4 h PRO 33 CO 0.00 0.35 0.39 1.63 -0.23 0.00 0.00 178.00 180.14 1sx4 n LYS 34 N -4.47 1.75 -1.54 0.86 5.02 -1.26 -4.93 118.16 113.58 1sx4 n LYS 34 Ca 0.04 -1.71 -0.31 0.00 -2.02 0.00 0.00 58.31 54.32 1sx4 n LYS 34 Cb 0.10 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.50 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 -0.24 1.67 0.41 0.72 0.00 0.42 -4.58 107.32 105.71 1sx4 s GLY 35 Ca 0.33 0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.21 1sx4 s GLY 35 CO 0.05 0.41 0.03 0.50 0.00 0.00 0.00 173.10 174.09 1sx4 s ARG 36 N -5.03 2.00 0.30 2.90 0.52 -0.80 -4.94 118.95 113.90 1sx4 s ARG 36 Ca 0.58 -2.09 0.06 0.00 -0.52 0.00 0.00 55.73 53.77 1sx4 s ARG 36 Cb -0.14 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1sx4 s ARG 36 CO 0.55 -0.07 0.43 -0.80 0.02 0.00 0.00 175.30 175.43 1sx4 s ASN 37 N -3.74 6.10 0.14 0.23 0.01 -1.26 -3.81 114.94 112.60 1sx4 s ASN 37 Ca 0.35 -0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.50 1sx4 s ASN 37 Cb 0.09 -1.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1sx4 s ASN 37 CO 0.18 -0.31 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.63 1sx4 s VAL 38 N -2.11 2.99 -0.16 1.60 1.01 -0.23 -4.95 120.40 118.55 1sx4 s VAL 38 Ca 0.41 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 1sx4 s VAL 38 Cb -0.09 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1sx4 s VAL 38 CO 0.30 0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 1sx4 s VAL 39 N -1.34 2.85 -0.17 2.92 1.01 -1.26 -1.04 120.40 123.38 1sx4 s VAL 39 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1sx4 s VAL 39 Cb -0.10 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1sx4 s VAL 39 CO 0.12 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 174.92 1sx4 s LEU 40 N 0.76 3.12 0.92 3.92 1.43 -0.65 -4.98 118.68 123.21 1sx4 s LEU 40 Ca -0.05 -0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1sx4 s LEU 40 Cb -0.15 -1.76 0.16 0.00 0.03 0.00 0.00 46.19 44.47 1sx4 s LEU 40 CO 0.01 0.13 1.25 -0.62 0.23 0.00 0.00 176.35 177.34 1sx4 s ASP 41 N 0.60 3.52 -0.30 2.29 2.15 -1.26 -2.06 116.67 121.61 1sx4 s ASP 41 Ca -0.03 0.53 -0.09 0.00 0.43 0.00 0.00 52.55 53.39 1sx4 s ASP 41 Cb -0.15 -0.78 0.14 0.00 -0.30 0.00 0.00 42.92 41.83 1sx4 s ASP 41 CO 0.03 -2.50 0.65 -0.54 -0.17 0.00 0.00 175.17 172.63 1sx4 s LYS 42 N -5.71 0.57 0.38 4.34 1.02 -1.26 -4.83 119.74 114.25 1sx4 s LYS 42 Ca 0.69 1.37 0.05 0.00 0.02 0.00 0.00 55.97 58.09 1sx4 s LYS 42 Cb -0.08 0.82 0.74 0.00 -0.52 0.00 0.00 37.83 38.79 1sx4 s LYS 42 CO 0.52 -0.27 2.03 0.66 -0.92 0.00 0.00 175.35 177.36 1sx4 h SER 43 N 7.99 0.60 0.00 2.83 4.64 -1.98 -3.26 113.55 124.37 1sx4 h SER 43 Ca -0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1sx4 h SER 43 Cb 1.11 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1sx4 h SER 43 CO 0.13 0.44 0.00 0.49 -0.87 0.00 0.00 176.83 177.02 1sx4 n PHE 44 N -4.45 0.00 -0.14 4.77 3.72 -1.26 -5.03 117.46 115.07 1sx4 n PHE 44 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1sx4 n PHE 44 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 5.54 3.68 1.37 0.00 -1.23 -5.12 105.19 109.43 1sx4 n GLY 45 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 n ALA 46 N -3.00 0.75 -0.38 4.61 0.00 -1.26 -4.54 120.51 116.70 1sx4 n ALA 46 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1sx4 n ALA 46 Cb 0.00 -2.24 0.22 0.00 0.00 0.00 0.00 19.45 17.43 1sx4 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sx4 n PRO 47 N -1.57 -3.49 -4.51 0.00 -0.02 -1.26 -4.69 135.00 119.45 1sx4 n PRO 47 Ca 0.15 -1.11 -0.26 0.00 -2.02 0.00 0.00 63.50 60.27 1sx4 n PRO 47 Cb 0.48 -1.61 -0.17 0.00 -0.02 0.00 0.00 33.50 32.18 1sx4 n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sx4 s THR 48 N -1.98 1.24 -0.24 3.45 2.01 -0.87 -4.96 115.64 114.28 1sx4 s THR 48 Ca 0.51 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 1sx4 s THR 48 Cb -0.09 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1sx4 s THR 48 CO 0.43 0.38 0.17 -0.63 -0.69 0.00 0.00 174.62 174.28 1sx4 s ILE 49 N 0.83 5.35 0.02 1.82 1.01 -1.26 -1.63 121.20 127.34 1sx4 s ILE 49 Ca -0.11 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 1sx4 s ILE 49 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1sx4 s ILE 49 CO 0.02 0.34 0.08 0.28 0.00 0.00 0.00 174.94 175.66 1sx4 s THR 50 N 1.05 0.11 -1.57 2.92 -1.32 -0.21 -4.53 115.64 112.10 1sx4 s THR 50 Ca 0.08 -0.89 0.16 0.00 -1.21 0.00 0.00 61.69 59.83 1sx4 s THR 50 Cb -0.13 -0.56 0.35 0.00 -1.51 0.00 0.00 72.50 70.65 1sx4 s THR 50 CO 0.04 -0.49 1.26 1.17 -2.21 0.00 0.00 174.62 174.40 1sx4 n LYS 51 N 1.25 2.32 -3.76 7.08 4.81 -1.26 -1.07 118.16 127.52 1sx4 n LYS 51 Ca -0.22 -2.04 -0.37 0.00 -0.87 0.00 0.00 58.31 54.82 1sx4 n LYS 51 Cb 0.56 -1.37 -0.13 0.00 0.02 0.00 0.00 35.03 34.12 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 -1.11 5.07 0.31 3.14 2.15 -1.26 -4.87 116.67 120.09 1sx4 s ASP 52 Ca 0.29 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 1sx4 s ASP 52 Cb 0.16 -1.90 0.50 0.00 -0.30 0.00 0.00 42.92 41.38 1sx4 s ASP 52 CO 0.22 -0.06 1.96 1.23 -0.17 0.00 0.00 175.17 178.34 1sx4 h GLY 53 N 8.23 1.17 2.00 2.66 0.00 -1.91 0.39 103.07 115.62 1sx4 h GLY 53 Ca -0.37 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1sx4 h GLY 53 CO 0.59 0.37 -0.18 -0.24 0.00 0.00 0.00 176.54 177.08 1sx4 h VAL 54 N 1.06 0.55 -0.19 4.60 3.04 -1.86 0.60 116.25 124.04 1sx4 h VAL 54 Ca 0.32 -0.87 -0.09 0.00 -1.01 0.00 0.00 66.70 65.05 1sx4 h VAL 54 Cb -0.02 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1sx4 h VAL 54 CO -0.09 0.18 -0.24 0.28 -1.01 0.00 0.00 177.57 176.69 1sx4 h SER 55 N 0.00 0.54 -0.45 3.17 0.02 -1.34 -2.59 113.55 112.89 1sx4 h SER 55 Ca -0.00 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1sx4 h SER 55 Cb 0.57 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1sx4 h SER 55 CO 0.02 0.93 -0.03 0.58 -1.14 0.00 0.00 176.83 177.19 1sx4 h VAL 56 N 0.16 1.26 0.25 2.27 2.07 -1.28 -3.30 116.25 117.67 1sx4 h VAL 56 Ca 0.02 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1sx4 h VAL 56 Cb 0.80 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1sx4 h VAL 56 CO 0.06 0.39 -0.12 0.00 0.02 0.00 0.00 177.57 177.92 1sx4 h ALA 57 N 1.14 -0.33 -0.63 1.67 0.00 -0.60 -2.53 119.26 117.98 1sx4 h ALA 57 Ca 0.15 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 57 Cb 0.53 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1sx4 h ALA 57 CO 0.03 -0.50 0.85 0.00 0.00 0.00 0.00 179.25 179.62 1sx4 h ARG 58 N -0.70 0.00 0.00 0.00 2.47 -1.55 -0.10 114.38 114.51 1sx4 h ARG 58 Ca -0.03 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1sx4 h ARG 58 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1sx4 h ARG 58 CO 0.06 0.00 -0.30 0.93 0.56 0.00 0.00 179.97 181.21 1sx4 h GLU 59 N 0.00 0.00 -6.40 0.04 4.39 -1.52 -3.46 114.58 107.63 1sx4 h GLU 59 Ca 0.30 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.46 1sx4 h GLU 59 Cb 1.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1sx4 h GLU 59 CO -0.00 0.30 0.53 0.42 -1.16 0.00 0.00 179.01 179.10 1sx4 s ILE 60 N -3.39 4.43 -0.08 3.13 -1.09 -0.05 -4.98 121.20 119.15 1sx4 s ILE 60 Ca 0.02 1.74 -0.08 0.00 -2.23 0.00 0.00 60.65 60.10 1sx4 s ILE 60 Cb 0.09 -4.11 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1sx4 s ILE 60 CO 0.68 0.09 0.22 -0.70 -1.23 0.00 0.00 174.94 174.00 1sx4 s GLU 61 N 1.38 0.25 0.28 2.79 2.12 -1.26 -4.88 118.70 119.39 1sx4 s GLU 61 Ca 0.55 0.31 0.11 0.00 0.36 0.00 0.00 54.97 56.30 1sx4 s GLU 61 Cb -0.25 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 1sx4 s GLU 61 CO 0.26 -0.03 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.30 1sx4 s LEU 62 N 0.13 2.76 -0.04 2.70 1.02 -1.26 -5.05 118.68 118.94 1sx4 s LEU 62 Ca -0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 54.13 52.99 1sx4 s LEU 62 Cb -0.02 -1.26 -0.31 0.00 0.02 0.00 0.00 46.19 44.62 1sx4 s LEU 62 CO 0.00 0.00 0.91 -0.08 0.02 0.00 0.00 176.35 177.21 1sx4 h GLU 63 N 2.14 0.32 -6.22 1.70 4.81 -2.01 -3.42 114.58 111.90 1sx4 h GLU 63 Ca -0.41 -0.53 -0.60 0.00 -0.13 0.00 0.00 59.36 57.69 1sx4 h GLU 63 Cb 1.26 0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.84 1sx4 h GLU 63 CO 0.61 1.25 1.23 -3.47 -0.73 0.00 0.00 179.01 177.90 1sx4 n ASP 64 N -4.11 3.45 0.25 1.04 2.03 -1.26 -4.86 116.55 113.09 1sx4 n ASP 64 Ca -0.14 0.78 0.09 0.00 0.52 0.00 0.00 54.79 56.04 1sx4 n ASP 64 Cb 0.83 -1.42 0.63 0.00 -0.72 0.00 0.00 41.12 40.44 1sx4 n ASP 64 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sx4 h LYS 65 N 10.81 0.00 0.05 -0.67 1.79 -1.91 0.48 116.57 127.12 1sx4 h LYS 65 Ca -0.45 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.95 1sx4 h LYS 65 Cb 1.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1sx4 h LYS 65 CO 0.96 0.13 -0.28 0.74 -1.08 0.00 0.00 179.45 179.91 1sx4 h PHE 66 N 0.00 0.18 -0.76 -1.35 0.04 -1.94 -2.81 116.94 110.30 1sx4 h PHE 66 Ca -0.00 -0.13 0.09 0.00 2.80 0.00 0.00 57.97 60.73 1sx4 h PHE 66 Cb 0.26 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1sx4 h PHE 66 CO 0.00 1.11 0.41 0.93 -0.60 0.00 0.00 178.31 180.16 1sx4 h GLU 67 N -0.79 0.68 -0.18 1.51 5.08 -1.53 -1.96 114.58 117.38 1sx4 h GLU 67 Ca -0.05 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1sx4 h GLU 67 Cb 1.22 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1sx4 h GLU 67 CO 0.05 0.45 -0.01 -0.97 -1.00 0.00 0.00 179.01 177.52 1sx4 h ASN 68 N 0.70 -0.10 -0.85 1.42 -1.24 -0.09 -1.37 115.58 114.04 1sx4 h ASN 68 Ca 0.37 0.04 0.18 0.00 0.71 0.00 0.00 56.30 57.61 1sx4 h ASN 68 Cb 0.35 0.08 -0.11 0.00 0.73 0.00 0.00 38.32 39.38 1sx4 h ASN 68 CO -0.25 -0.03 0.38 0.24 -1.29 0.00 0.00 177.43 176.48 1sx4 h MET 69 N 0.04 0.46 -0.31 6.67 2.86 -1.10 0.63 114.93 124.17 1sx4 h MET 69 Ca 0.09 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1sx4 h MET 69 Cb 0.12 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 1sx4 h MET 69 CO -0.16 0.30 -0.47 0.78 1.06 0.00 0.00 176.91 178.42 1sx4 h GLY 70 N 0.47 -0.76 1.95 8.32 0.00 -0.64 -2.06 103.07 110.35 1sx4 h GLY 70 Ca 0.50 0.60 -0.14 0.00 0.00 0.00 0.00 47.33 48.29 1sx4 h GLY 70 CO -0.46 -0.18 -0.64 0.00 0.00 0.00 0.00 176.54 175.26 1sx4 h ALA 71 N 0.16 0.91 0.00 3.60 0.00 -0.33 -1.58 119.26 122.02 1sx4 h ALA 71 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sx4 h ALA 71 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sx4 h ALA 71 CO -0.52 0.79 0.00 1.04 0.00 0.00 0.00 179.25 180.56 1sx4 n GLN 72 N -3.79 0.11 -0.04 0.00 1.13 0.19 -1.75 117.38 113.24 1sx4 n GLN 72 Ca -0.01 0.15 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1sx4 n GLN 72 Cb 0.64 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.14 -1.09 2.86 -0.58 -3.35 114.93 111.62 1sx4 h MET 73 Ca 0.00 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 57.97 1sx4 h MET 73 Cb 0.55 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 1sx4 h MET 73 CO 0.00 0.00 0.73 -0.39 1.06 0.00 0.00 176.91 178.31 1sx4 h VAL 74 N -0.60 0.36 -0.22 -2.22 -1.51 -1.55 0.51 116.25 111.02 1sx4 h VAL 74 Ca 0.00 -0.09 0.07 0.00 -1.23 0.00 0.00 66.70 65.44 1sx4 h VAL 74 Cb 0.17 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 1sx4 h VAL 74 CO 0.00 0.05 0.44 0.50 -1.23 0.00 0.00 177.57 177.33 1sx4 h LYS 75 N 0.27 0.00 0.00 5.19 3.64 -1.47 0.52 116.57 124.71 1sx4 h LYS 75 Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1sx4 h LYS 75 Cb 1.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1sx4 h LYS 75 CO -0.35 0.00 -0.16 -1.91 -2.27 0.00 0.00 179.45 174.76 1sx4 n GLU 76 N -3.27 0.01 0.03 1.90 2.13 0.17 -1.71 120.64 119.90 1sx4 n GLU 76 Ca 0.03 0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.75 1sx4 n GLU 76 Cb 0.56 -1.51 -0.08 0.00 0.27 0.00 0.00 31.44 30.68 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 0.00 0.95 -0.76 6.31 -1.51 -0.11 -2.01 116.25 119.11 1sx4 h VAL 77 Ca 0.00 -1.27 0.15 0.00 -1.23 0.00 0.00 66.70 64.35 1sx4 h VAL 77 Cb 0.51 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 31.25 1sx4 h VAL 77 CO 0.00 0.26 0.51 0.00 -1.23 0.00 0.00 177.57 177.11 1sx4 h ALA 78 N -0.25 2.11 0.14 5.19 0.00 -1.57 0.23 119.26 125.11 1sx4 h ALA 78 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 78 Cb 0.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 78 CO 0.03 -0.31 -1.26 1.03 0.00 0.00 0.00 179.25 178.73 1sx4 h SER 79 N 0.43 0.49 0.19 0.00 0.87 -1.23 -2.72 113.55 111.57 1sx4 h SER 79 Ca 0.38 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1sx4 h SER 79 Cb 0.85 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1sx4 h SER 79 CO -0.12 1.40 -0.09 0.11 -0.53 0.00 0.00 176.83 177.60 1sx4 h LYS 80 N 0.09 -0.24 -0.79 2.24 1.79 -0.66 -2.33 116.57 116.66 1sx4 h LYS 80 Ca -0.15 0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.57 1sx4 h LYS 80 Cb 1.98 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 32.54 1sx4 h LYS 80 CO 0.21 0.16 0.08 0.00 -1.08 0.00 0.00 179.45 178.82 1sx4 n ALA 81 N -2.50 0.46 0.09 3.86 0.00 0.76 -1.25 120.51 121.94 1sx4 n ALA 81 Ca -0.08 0.84 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 1sx4 n ALA 81 Cb 0.26 -0.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 1sx4 n ALA 81 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1sx4 h ASN 82 N 0.00 0.40 1.26 0.00 -0.73 -1.30 -1.76 115.58 113.46 1sx4 h ASN 82 Ca 0.51 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1sx4 h ASN 82 Cb 1.10 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.56 1sx4 h ASN 82 CO -0.72 1.27 0.00 0.44 -0.37 0.00 0.00 177.43 178.05 1sx4 h ASP 83 N 0.10 0.00 0.00 1.15 3.32 -0.62 0.15 116.42 120.53 1sx4 h ASP 83 Ca -0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.70 1sx4 h ASP 83 Cb 1.84 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.35 1sx4 h ASP 83 CO 0.18 0.00 -1.33 0.00 -1.72 0.00 0.00 179.24 176.38 1sx4 n ALA 84 N -1.90 0.80 -1.05 3.45 0.00 -0.47 -4.73 120.51 116.61 1sx4 n ALA 84 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 53.00 1sx4 n ALA 84 Cb 0.36 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 19.32 1sx4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 85 N -3.44 1.94 -3.46 0.00 0.00 -0.67 -5.01 120.51 109.86 1sx4 n ALA 85 Ca -0.33 -1.52 -0.21 0.00 0.00 0.00 0.00 53.44 51.38 1sx4 n ALA 85 Cb 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.64 -0.46 3.54 0.00 0.00 0.53 -4.36 105.19 103.81 1sx4 n GLY 86 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.60 -0.31 0.00 1.61 -1.08 -1.26 -4.72 116.67 108.31 1sx4 s ASP 87 Ca 0.40 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1sx4 s ASP 87 Cb -0.23 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 1sx4 s ASP 87 CO 0.49 -0.46 0.00 0.61 0.52 0.00 0.00 175.17 176.33 1sx4 n GLY 88 N 0.03 0.74 0.36 2.66 0.00 -1.26 -4.72 105.19 103.00 1sx4 n GLY 88 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.92 -0.13 2.61 1.35 -1.89 0.27 112.91 116.04 1sx4 h THR 89 Ca 0.00 -0.23 -0.23 0.00 -0.55 0.00 0.00 66.41 65.41 1sx4 h THR 89 Cb 0.00 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 66.63 1sx4 h THR 89 CO 0.00 0.12 -0.81 0.74 -0.25 0.00 0.00 175.52 175.32 1sx4 h THR 90 N 0.66 1.28 0.15 6.82 2.02 -1.91 -1.75 112.91 120.18 1sx4 h THR 90 Ca 0.36 -2.01 0.01 0.00 0.77 0.00 0.00 66.41 65.53 1sx4 h THR 90 Cb 0.50 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 1sx4 h THR 90 CO -0.13 0.64 -0.44 0.74 0.37 0.00 0.00 175.52 176.69 1sx4 h THR 91 N 0.51 0.00 -0.91 3.16 2.02 -1.69 0.93 112.91 116.93 1sx4 h THR 91 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1sx4 h THR 91 Cb 1.44 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.74 1sx4 h THR 91 CO 0.16 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 175.50 1sx4 h ALA 92 N -0.76 -0.54 -0.95 6.16 0.00 -0.49 0.86 119.26 123.54 1sx4 h ALA 92 Ca -0.01 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1sx4 h ALA 92 Cb 0.65 1.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 1sx4 h ALA 92 CO -0.21 -0.93 0.59 1.15 0.00 0.00 0.00 179.25 179.85 1sx4 h THR 93 N -0.02 0.96 -0.33 0.00 2.02 -0.41 0.57 112.91 115.68 1sx4 h THR 93 Ca 0.15 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1sx4 h THR 93 Cb 0.40 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1sx4 h THR 93 CO -0.87 0.18 0.19 0.58 0.37 0.00 0.00 175.52 175.97 1sx4 h VAL 94 N 0.98 1.13 -0.23 3.16 2.07 0.23 -1.03 116.25 122.56 1sx4 h VAL 94 Ca 0.45 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1sx4 h VAL 94 Cb 0.38 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1sx4 h VAL 94 CO -0.24 0.13 0.08 -0.07 0.02 0.00 0.00 177.57 177.49 1sx4 h LEU 95 N 0.42 0.28 0.04 2.57 3.38 0.59 -2.49 115.31 120.11 1sx4 h LEU 95 Ca 0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1sx4 h LEU 95 Cb 0.04 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1sx4 h LEU 95 CO -0.02 0.27 -0.50 0.00 0.09 0.00 0.00 178.44 178.28 1sx4 h ALA 96 N 1.77 0.01 -0.57 1.53 0.00 -0.90 0.10 119.26 121.21 1sx4 h ALA 96 Ca 0.08 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.59 1sx4 h ALA 96 Cb 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1sx4 h ALA 96 CO -0.01 0.25 0.49 0.37 0.00 0.00 0.00 179.25 180.36 1sx4 h GLN 97 N -0.36 0.00 0.00 0.00 5.75 -1.01 0.24 115.11 119.73 1sx4 h GLN 97 Ca -0.07 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 1sx4 h GLN 97 Cb 1.28 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 1sx4 h GLN 97 CO 0.10 0.00 -0.72 0.00 -2.65 0.00 0.00 178.83 175.56 1sx4 h ALA 98 N 1.54 0.14 -0.21 3.38 0.00 -0.94 0.02 119.26 123.19 1sx4 h ALA 98 Ca 0.27 -0.87 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1sx4 h ALA 98 Cb 1.26 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1sx4 h ALA 98 CO -0.00 0.42 -0.14 0.82 0.00 0.00 0.00 179.25 180.34 1sx4 h ILE 99 N -1.00 0.60 0.04 0.00 2.04 -0.24 -2.43 117.51 116.52 1sx4 h ILE 99 Ca -0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1sx4 h ILE 99 Cb 1.09 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1sx4 h ILE 99 CO -0.11 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 178.22 1sx4 h ILE 100 N -0.13 0.50 0.00 -0.67 2.04 -0.58 0.29 117.51 118.96 1sx4 h ILE 100 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1sx4 h ILE 100 Cb 0.31 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1sx4 h ILE 100 CO -0.29 0.00 -0.26 0.74 0.00 0.00 0.00 178.15 178.34 1sx4 h THR 101 N -0.37 0.00 -0.44 -0.27 2.02 -0.75 -0.27 112.91 112.84 1sx4 h THR 101 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1sx4 h THR 101 Cb 0.42 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 1sx4 h THR 101 CO -0.17 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.46 1sx4 h GLU 102 N -0.33 0.19 -0.27 6.66 4.39 -1.28 -2.57 114.58 121.36 1sx4 h GLU 102 Ca 0.00 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1sx4 h GLU 102 Cb 0.35 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1sx4 h GLU 102 CO -0.17 0.12 0.01 0.78 -1.16 0.00 0.00 179.01 178.59 1sx4 h GLY 103 N 0.19 0.27 1.31 -3.84 0.00 -0.04 0.82 103.07 101.79 1sx4 h GLY 103 Ca 0.22 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.66 1sx4 h GLY 103 CO -0.30 -0.05 0.25 1.41 0.00 0.00 0.00 176.54 177.85 1sx4 h LEU 104 N 0.10 0.00 -0.48 3.11 3.38 -0.80 -1.18 115.31 119.44 1sx4 h LEU 104 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1sx4 h LEU 104 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sx4 h LEU 104 CO -0.21 0.00 -0.43 0.50 0.09 0.00 0.00 178.44 178.39 1sx4 h LYS 105 N 0.00 0.00 0.00 1.13 3.64 -0.49 -0.25 116.57 120.60 1sx4 h LYS 105 Ca 0.16 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1sx4 h LYS 105 Cb 0.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1sx4 h LYS 105 CO -0.00 0.43 -0.87 0.00 -2.27 0.00 0.00 179.45 176.74 1sx4 h ALA 106 N 1.57 0.64 -0.49 5.00 0.00 -0.12 -2.46 119.26 123.39 1sx4 h ALA 106 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1sx4 h ALA 106 Cb 1.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1sx4 h ALA 106 CO 0.06 0.79 -0.21 0.28 0.00 0.00 0.00 179.25 180.17 1sx4 h VAL 107 N 0.00 1.27 0.00 0.00 2.07 -0.83 -1.15 116.25 117.61 1sx4 h VAL 107 Ca -0.06 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1sx4 h VAL 107 Cb 1.50 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1sx4 h VAL 107 CO 0.07 0.47 -0.01 0.00 0.02 0.00 0.00 177.57 178.12 1sx4 h ALA 108 N 0.90 1.14 0.00 1.67 0.00 -0.98 0.47 119.26 122.45 1sx4 h ALA 108 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 108 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1sx4 h ALA 108 CO 0.06 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1sx4 n ALA 109 N -2.15 2.14 -0.63 0.00 0.00 -0.46 -4.90 120.51 114.51 1sx4 n ALA 109 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1sx4 n ALA 109 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.03 1.33 3.82 0.00 0.00 0.16 -5.09 105.19 106.43 1sx4 n GLY 110 Ca 0.05 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.80 3.95 -0.41 1.61 -1.94 -1.07 -5.02 119.30 114.63 1sx4 s MET 111 Ca 0.00 1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 54.83 1sx4 s MET 111 Cb 0.00 -2.13 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1sx4 s MET 111 CO 0.00 -0.28 1.32 1.21 -0.01 0.00 0.00 175.02 177.27 1sx4 s ASN 112 N -2.45 6.47 0.22 3.03 2.47 -1.26 -4.63 114.94 118.78 1sx4 s ASN 112 Ca 0.62 0.82 -0.09 0.00 0.42 0.00 0.00 52.86 54.63 1sx4 s ASN 112 Cb -0.12 -2.54 0.24 0.00 -1.45 0.00 0.00 41.25 37.39 1sx4 s ASN 112 CO 0.22 -1.32 1.83 -0.65 -3.72 0.00 0.00 177.10 173.46 1sx4 h PRO 113 N 10.07 0.77 -1.08 0.43 0.11 -1.95 0.15 132.00 140.49 1sx4 h PRO 113 Ca -0.26 -0.05 0.29 0.00 0.11 0.00 0.00 66.00 66.10 1sx4 h PRO 113 Cb 1.09 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 31.93 1sx4 h PRO 113 CO 1.09 0.51 0.70 0.52 -0.21 0.00 0.00 178.00 180.60 1sx4 h MET 114 N 0.79 0.32 0.00 1.05 2.86 -1.92 0.35 114.93 118.38 1sx4 h MET 114 Ca 0.31 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.82 1sx4 h MET 114 Cb 0.14 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1sx4 h MET 114 CO -0.16 0.21 -0.53 -0.44 1.06 0.00 0.00 176.91 177.06 1sx4 h ASP 115 N 0.33 0.00 -0.23 1.22 3.32 -1.12 -3.02 116.42 116.93 1sx4 h ASP 115 Ca 0.62 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.52 1sx4 h ASP 115 Cb 1.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.23 1sx4 h ASP 115 CO -0.30 0.53 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.25 1sx4 h LEU 116 N 0.00 0.84 0.69 1.55 3.38 -0.07 -0.78 115.31 120.92 1sx4 h LEU 116 Ca -0.01 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1sx4 h LEU 116 Cb 1.35 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1sx4 h LEU 116 CO 0.07 1.15 -0.33 0.50 0.09 0.00 0.00 178.44 179.91 1sx4 h LYS 117 N 0.63 -0.90 -0.76 1.13 3.64 -1.01 -1.61 116.57 117.69 1sx4 h LYS 117 Ca 0.05 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.66 1sx4 h LYS 117 Cb 0.98 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 1sx4 h LYS 117 CO 0.09 -0.57 0.18 0.00 -2.27 0.00 0.00 179.45 176.88 1sx4 h ARG 118 N -1.05 0.25 -0.37 1.90 3.08 -1.33 0.27 114.38 117.13 1sx4 h ARG 118 Ca -0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1sx4 h ARG 118 Cb 0.74 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1sx4 h ARG 118 CO 0.16 0.17 0.13 0.78 -1.07 0.00 0.00 179.97 180.13 1sx4 h GLY 119 N 0.26 0.61 0.36 0.04 0.00 -1.08 0.31 103.07 103.57 1sx4 h GLY 119 Ca 0.43 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.51 1sx4 h GLY 119 CO -0.54 0.33 0.22 -2.22 0.00 0.00 0.00 176.54 174.32 1sx4 h ILE 120 N 0.45 0.75 -0.07 2.60 2.04 -0.09 0.00 117.51 123.19 1sx4 h ILE 120 Ca 0.12 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1sx4 h ILE 120 Cb 0.23 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1sx4 h ILE 120 CO -0.01 0.07 -0.09 0.44 0.00 0.00 0.00 178.15 178.56 1sx4 h ASP 121 N 0.39 0.20 -0.15 1.72 3.32 0.18 -1.34 116.42 120.74 1sx4 h ASP 121 Ca 0.31 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1sx4 h ASP 121 Cb 0.40 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 1sx4 h ASP 121 CO -0.32 0.68 -0.34 0.50 -1.72 0.00 0.00 179.24 178.04 1sx4 h LYS 122 N -0.28 -0.39 -0.89 3.56 3.64 -0.17 0.17 116.57 122.21 1sx4 h LYS 122 Ca 0.01 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1sx4 h LYS 122 Cb 0.64 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.41 1sx4 h LYS 122 CO 0.02 -0.26 -0.36 0.00 -2.27 0.00 0.00 179.45 176.58 1sx4 n ALA 123 N -2.87 -0.14 -0.13 5.00 0.00 -0.03 -1.65 120.51 120.69 1sx4 n ALA 123 Ca -0.03 0.88 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 1sx4 n ALA 123 Cb 0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 1.28 -0.13 0.00 2.07 0.40 -0.66 116.25 119.22 1sx4 h VAL 124 Ca 0.30 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.57 1sx4 h VAL 124 Cb 0.52 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1sx4 h VAL 124 CO -0.88 0.43 0.11 0.74 0.02 0.00 0.00 177.57 177.99 1sx4 h THR 125 N 0.58 0.67 0.15 2.57 2.02 -0.16 0.19 112.91 118.93 1sx4 h THR 125 Ca 0.09 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.08 1sx4 h THR 125 Cb 0.71 0.91 0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1sx4 h THR 125 CO 0.05 0.00 -0.84 0.00 0.37 0.00 0.00 175.52 175.10 1sx4 h ALA 126 N 1.89 -0.09 -0.47 6.16 0.00 -0.91 -3.21 119.26 122.64 1sx4 h ALA 126 Ca 0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1sx4 h ALA 126 Cb 0.29 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 126 CO -0.00 0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.69 1sx4 h ALA 127 N 0.08 1.21 -0.55 0.00 0.00 0.53 -1.80 119.26 118.73 1sx4 h ALA 127 Ca -0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1sx4 h ALA 127 Cb 1.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1sx4 h ALA 127 CO 0.16 0.53 0.23 0.28 0.00 0.00 0.00 179.25 180.44 1sx4 h VAL 128 N 0.70 1.22 0.02 0.00 2.07 -0.77 -0.64 116.25 118.85 1sx4 h VAL 128 Ca 0.15 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1sx4 h VAL 128 Cb 0.37 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1sx4 h VAL 128 CO 0.01 0.26 -0.20 -0.33 0.02 0.00 0.00 177.57 177.33 1sx4 h GLU 129 N 0.75 -0.31 -0.47 1.57 3.07 -1.50 -0.24 114.58 117.44 1sx4 h GLU 129 Ca 0.18 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.15 1sx4 h GLU 129 Cb 0.19 0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 28.07 1sx4 h GLU 129 CO -0.02 -0.21 -0.36 0.93 -1.40 0.00 0.00 179.01 177.95 1sx4 h GLU 130 N -0.33 -0.23 -0.45 2.33 4.39 -0.93 0.17 114.58 119.53 1sx4 h GLU 130 Ca 0.05 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.86 1sx4 h GLU 130 Cb 0.39 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 1sx4 h GLU 130 CO -0.17 -0.15 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.30 1sx4 h LEU 131 N -0.24 -0.54 -2.26 1.33 3.38 -0.99 -0.58 115.31 115.42 1sx4 h LEU 131 Ca 0.18 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1sx4 h LEU 131 Cb 0.55 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1sx4 h LEU 131 CO -0.60 -0.19 0.00 0.11 0.09 0.00 0.00 178.44 177.85 1sx4 h LYS 132 N -0.05 0.00 0.07 1.13 1.57 0.11 0.23 116.57 119.64 1sx4 h LYS 132 Ca 0.22 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 132 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1sx4 h LYS 132 CO -0.49 0.00 -1.13 0.00 -0.57 0.00 0.00 179.45 177.26 1sx4 h ALA 133 N 2.02 0.21 0.00 3.86 0.00 0.28 -3.30 119.26 122.33 1sx4 h ALA 133 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 54.91 53.79 1sx4 h ALA 133 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1sx4 h ALA 133 CO 0.00 1.07 -1.27 -0.07 0.00 0.00 0.00 179.25 178.97 1sx4 h LEU 134 N 0.05 0.00 -9.35 0.00 4.07 0.37 -3.46 115.31 107.00 1sx4 h LEU 134 Ca -0.08 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.23 1sx4 h LEU 134 Cb 1.87 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.66 1sx4 h LEU 134 CO 0.17 0.98 0.55 -0.24 -1.08 0.00 0.00 178.44 178.82 1sx4 n SER 135 N -3.22 2.06 -4.36 -0.43 2.88 0.10 -4.81 113.62 105.85 1sx4 n SER 135 Ca -0.07 1.11 -0.29 0.00 -1.33 0.00 0.00 58.87 58.30 1sx4 n SER 135 Cb 0.98 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 63.04 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 0.56 2.15 0.55 2.46 -7.23 -1.05 -4.90 120.40 112.93 1sx4 s VAL 136 Ca 0.82 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 59.18 1sx4 s VAL 136 Cb -0.87 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1sx4 s VAL 136 CO 0.45 0.17 1.28 -2.65 -0.31 0.00 0.00 175.10 174.04 1sx4 n PRO 137 N 1.24 1.53 -3.86 4.82 -0.02 -1.26 -1.65 135.00 135.80 1sx4 n PRO 137 Ca -0.18 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 1sx4 n PRO 137 Cb 0.53 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1sx4 n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sx4 n SER 139 N 4.68 0.00 -4.89 0.00 3.41 -1.26 -4.47 113.62 111.09 1sx4 n SER 139 Ca -0.13 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.03 1sx4 n SER 139 Cb 0.44 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sx4 s ASP 140 N 0.00 5.96 0.53 4.04 1.47 -1.26 -4.96 116.67 122.46 1sx4 s ASP 140 Ca 0.00 1.09 0.31 0.00 1.18 0.00 0.00 52.55 55.13 1sx4 s ASP 140 Cb 0.00 -2.15 1.43 0.00 -0.34 0.00 0.00 42.92 41.86 1sx4 s ASP 140 CO 0.00 -0.92 2.02 0.28 0.68 0.00 0.00 175.17 177.24 1sx4 h SER 141 N -0.20 0.00 -0.01 2.11 0.02 -1.98 -2.77 113.55 110.71 1sx4 h SER 141 Ca -0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1sx4 h SER 141 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1sx4 h SER 141 CO 0.62 0.08 -0.02 0.50 -1.14 0.00 0.00 176.83 176.87 1sx4 h LYS 142 N 0.00 0.04 0.52 3.45 3.64 -1.99 -2.63 116.57 119.60 1sx4 h LYS 142 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1sx4 h LYS 142 Cb 0.45 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1sx4 h LYS 142 CO 0.01 0.60 -0.25 0.00 -2.27 0.00 0.00 179.45 177.54 1sx4 h ALA 143 N 0.44 -0.69 -0.95 5.00 0.00 -1.95 -2.18 119.26 118.93 1sx4 h ALA 143 Ca 0.00 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.96 1sx4 h ALA 143 Cb 0.60 0.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 1sx4 h ALA 143 CO 0.01 -0.87 -0.15 -0.89 0.00 0.00 0.00 179.25 177.34 1sx4 n ILE 144 N -5.37 -0.40 0.12 0.00 5.41 -1.05 0.51 119.36 118.57 1sx4 n ILE 144 Ca -0.12 2.14 0.04 0.00 1.00 0.00 0.00 62.75 65.81 1sx4 n ILE 144 Cb 0.30 -3.02 0.44 0.00 -0.71 0.00 0.00 39.64 36.64 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 1.90 1.63 -0.05 -1.39 0.00 -1.06 -1.08 119.26 119.20 1sx4 h ALA 145 Ca 0.50 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 1sx4 h ALA 145 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sx4 h ALA 145 CO -0.95 0.28 -0.76 1.96 0.00 0.00 0.00 179.25 179.78 1sx4 h GLN 146 N 0.26 0.32 -0.07 0.00 4.20 0.68 0.49 115.11 121.00 1sx4 h GLN 146 Ca 0.06 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1sx4 h GLN 146 Cb 0.22 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1sx4 h GLN 146 CO 0.01 0.94 -0.40 -0.39 -0.67 0.00 0.00 178.83 178.32 1sx4 h VAL 147 N 0.21 1.41 -0.66 -0.54 -1.51 0.78 -2.32 116.25 113.63 1sx4 h VAL 147 Ca -0.03 -1.80 0.06 0.00 -1.23 0.00 0.00 66.70 63.70 1sx4 h VAL 147 Cb 1.34 2.34 -0.09 0.00 -2.13 0.00 0.00 31.29 32.75 1sx4 h VAL 147 CO 0.12 0.52 -0.50 1.23 -1.23 0.00 0.00 177.57 177.72 1sx4 h GLY 148 N -0.09 -1.11 0.08 5.19 0.00 -1.19 -1.86 103.07 104.09 1sx4 h GLY 148 Ca -0.03 0.80 0.15 0.00 0.00 0.00 0.00 47.33 48.26 1sx4 h GLY 148 CO 0.08 -0.14 0.30 -0.84 0.00 0.00 0.00 176.54 175.94 1sx4 h THR 149 N -0.14 0.62 -0.36 4.70 2.02 0.06 -1.15 112.91 118.65 1sx4 h THR 149 Ca 0.11 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 1sx4 h THR 149 Cb 0.42 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1sx4 h THR 149 CO -0.69 0.08 -0.33 -0.29 0.37 0.00 0.00 175.52 174.66 1sx4 h ILE 150 N 0.42 1.28 -0.24 3.11 6.09 -0.78 -1.07 117.51 126.32 1sx4 h ILE 150 Ca 0.43 -1.48 -0.03 0.00 -1.37 0.00 0.00 64.86 62.41 1sx4 h ILE 150 Cb 0.69 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1sx4 h ILE 150 CO -0.43 0.49 0.02 -1.28 -3.07 0.00 0.00 178.15 173.88 1sx4 h SER 151 N 0.68 0.32 -0.71 2.19 0.87 -0.81 -3.12 113.55 112.96 1sx4 h SER 151 Ca 0.07 -0.04 -0.46 0.00 -1.23 0.00 0.00 61.79 60.13 1sx4 h SER 151 Cb 0.88 -0.08 -0.19 0.00 -0.44 0.00 0.00 62.40 62.56 1sx4 h SER 151 CO 0.08 0.36 0.59 0.00 -0.53 0.00 0.00 176.83 177.32 1sx4 n ALA 152 N -2.49 5.63 -3.71 6.23 0.00 -0.49 -4.71 120.51 120.97 1sx4 n ALA 152 Ca 0.00 -2.39 -0.27 0.00 0.00 0.00 0.00 53.44 50.78 1sx4 n ALA 152 Cb 0.18 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.07 -2.74 -0.90 0.00 4.05 -1.18 -2.63 115.26 111.78 1sx4 n ASN 153 Ca 0.43 -0.60 -0.02 0.00 0.45 0.00 0.00 54.58 54.83 1sx4 n ASN 153 Cb 0.60 -2.31 0.01 0.00 1.23 0.00 0.00 39.78 39.30 1sx4 n ASN 153 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1sx4 n SER 154 N -2.28 -2.37 -4.20 1.20 7.64 -0.45 -4.95 113.62 108.20 1sx4 n SER 154 Ca 0.04 -0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.45 1sx4 n SER 154 Cb 0.50 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.05 5.91 0.61 6.43 -1.08 -1.08 -4.93 116.67 119.47 1sx4 s ASP 155 Ca 0.05 -2.66 0.27 0.00 -0.52 0.00 0.00 52.55 49.69 1sx4 s ASP 155 Cb -0.02 -2.02 1.34 0.00 -1.46 0.00 0.00 42.92 40.76 1sx4 s ASP 155 CO 0.08 -0.49 1.76 -0.33 0.52 0.00 0.00 175.17 176.70 1sx4 h GLU 156 N 7.52 0.00 0.11 4.34 5.08 -1.91 -1.79 114.58 127.93 1sx4 h GLU 156 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 1sx4 h GLU 156 Cb 1.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1sx4 h GLU 156 CO 0.75 0.00 -1.19 1.15 -1.00 0.00 0.00 179.01 178.72 1sx4 h THR 157 N 0.00 1.46 -0.09 1.13 2.02 -1.96 -2.09 112.91 113.37 1sx4 h THR 157 Ca 0.21 -2.88 -0.04 0.00 0.77 0.00 0.00 66.41 64.47 1sx4 h THR 157 Cb 1.42 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 70.66 1sx4 h THR 157 CO -0.00 0.85 -0.10 0.58 0.37 0.00 0.00 175.52 177.22 1sx4 h VAL 158 N 0.12 1.37 -0.69 3.16 2.07 -1.72 -1.12 116.25 119.44 1sx4 h VAL 158 Ca -0.13 -1.26 0.13 0.00 0.82 0.00 0.00 66.70 66.26 1sx4 h VAL 158 Cb 1.89 2.00 -0.13 0.00 -1.52 0.00 0.00 31.29 33.53 1sx4 h VAL 158 CO 0.20 0.36 -0.28 1.23 0.02 0.00 0.00 177.57 179.10 1sx4 h GLY 159 N -0.19 0.17 1.17 2.17 0.00 -1.48 0.68 103.07 105.58 1sx4 h GLY 159 Ca 0.01 0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 1sx4 h GLY 159 CO 0.02 -0.24 -0.02 1.70 0.00 0.00 0.00 176.54 178.01 1sx4 h LYS 160 N -0.08 1.00 -0.11 4.80 3.64 -1.19 -1.39 116.57 123.24 1sx4 h LYS 160 Ca 0.29 -0.31 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1sx4 h LYS 160 Cb 0.55 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1sx4 h LYS 160 CO -0.74 0.99 -0.81 1.25 -2.27 0.00 0.00 179.45 177.87 1sx4 h LEU 161 N 0.91 0.90 0.22 5.20 5.85 -0.04 0.30 115.31 128.65 1sx4 h LEU 161 Ca 0.16 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1sx4 h LEU 161 Cb 0.55 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1sx4 h LEU 161 CO 0.03 1.42 -0.11 0.40 -0.34 0.00 0.00 178.44 179.84 1sx4 h ILE 162 N 0.45 0.77 -0.47 4.05 2.04 -0.80 0.48 117.51 124.04 1sx4 h ILE 162 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1sx4 h ILE 162 Cb 1.45 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 1sx4 h ILE 162 CO 0.16 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.46 1sx4 h ALA 163 N 0.48 0.55 -0.36 1.87 0.00 -1.08 0.12 119.26 120.85 1sx4 h ALA 163 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1sx4 h ALA 163 Cb 0.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1sx4 h ALA 163 CO 0.05 -0.25 0.12 0.93 0.00 0.00 0.00 179.25 180.10 1sx4 h GLU 164 N 0.31 0.26 0.16 0.00 5.08 -0.02 -2.26 114.58 118.11 1sx4 h GLU 164 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1sx4 h GLU 164 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sx4 h GLU 164 CO -0.25 0.17 -0.08 0.00 -1.00 0.00 0.00 179.01 177.86 1sx4 h ALA 165 N 1.23 -0.22 -1.07 3.43 0.00 0.23 -2.63 119.26 120.23 1sx4 h ALA 165 Ca 0.16 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.27 1sx4 h ALA 165 Cb 0.14 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 1sx4 h ALA 165 CO -0.17 -0.55 0.66 0.52 0.00 0.00 0.00 179.25 179.71 1sx4 h MET 166 N -0.36 0.36 -0.33 0.00 2.86 -0.70 0.18 114.93 116.94 1sx4 h MET 166 Ca -0.02 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1sx4 h MET 166 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1sx4 h MET 166 CO 0.04 0.24 -0.01 0.22 1.06 0.00 0.00 176.91 178.45 1sx4 h ASP 167 N 0.37 0.58 0.05 1.22 3.58 -1.08 -2.98 116.42 118.15 1sx4 h ASP 167 Ca 0.67 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.64 1sx4 h ASP 167 Cb 1.65 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1sx4 h ASP 167 CO -0.43 0.75 -0.86 0.11 -2.88 0.00 0.00 179.24 175.93 1sx4 h LYS 168 N 0.38 0.10 0.00 0.28 1.57 -0.32 -3.31 116.57 115.27 1sx4 h LYS 168 Ca 0.09 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sx4 h LYS 168 Cb 0.46 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1sx4 h LYS 168 CO 0.02 1.08 0.00 1.33 -0.57 0.00 0.00 179.45 181.31 1sx4 n VAL 169 N -4.31 0.77 -3.41 0.50 0.24 -0.87 -4.59 118.33 106.66 1sx4 n VAL 169 Ca -0.21 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1sx4 n VAL 169 Cb 0.70 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.32 -0.75 0.09 7.63 0.00 -1.13 -2.95 105.19 108.41 1sx4 n GLY 170 Ca 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.41 1.61 1.57 -1.93 -3.37 116.57 114.05 1sx4 h LYS 171 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1sx4 h LYS 171 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 1sx4 h LYS 171 CO 0.00 0.43 0.03 0.39 -0.57 0.00 0.00 179.45 179.73 1sx4 n GLU 172 N -3.01 2.28 -4.18 3.15 1.02 -1.26 -4.99 120.64 113.65 1sx4 n GLU 172 Ca -0.09 -3.07 -0.32 0.00 -0.02 0.00 0.00 57.16 53.66 1sx4 n GLU 172 Cb 0.89 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.17 1.95 0.36 0.62 0.00 -1.21 -3.51 107.32 103.35 1sx4 s GLY 173 Ca 0.46 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 1sx4 s GLY 173 CO 0.04 -0.82 0.73 0.14 0.00 0.00 0.00 173.10 173.20 1sx4 s VAL 174 N -1.16 4.76 -0.07 1.40 1.01 -1.23 -4.90 120.40 120.22 1sx4 s VAL 174 Ca 0.22 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1sx4 s VAL 174 Cb -0.12 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1sx4 s VAL 174 CO 0.13 -0.36 -0.09 -0.63 0.00 0.00 0.00 175.10 174.15 1sx4 s ILE 175 N -2.18 0.94 0.13 2.22 1.01 -1.26 -1.53 121.20 120.53 1sx4 s ILE 175 Ca 0.52 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.92 1sx4 s ILE 175 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1sx4 s ILE 175 CO 0.25 0.32 -0.21 0.42 0.00 0.00 0.00 174.94 175.72 1sx4 s THR 176 N 0.91 1.83 -0.11 2.92 -4.23 -0.85 -5.01 115.64 111.10 1sx4 s THR 176 Ca -0.10 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 1sx4 s THR 176 Cb -0.15 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1sx4 s THR 176 CO 0.01 -0.12 -0.09 0.68 -0.54 0.00 0.00 174.62 174.56 1sx4 s VAL 177 N -1.42 3.43 0.16 2.29 -7.23 -1.26 0.24 120.40 116.61 1sx4 s VAL 177 Ca 0.10 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.67 1sx4 s VAL 177 Cb -0.09 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1sx4 s VAL 177 CO 0.05 0.54 0.22 -1.83 -0.31 0.00 0.00 175.10 173.77 1sx4 s GLU 178 N -0.02 1.11 0.48 4.82 -1.05 -0.54 -4.97 118.70 118.53 1sx4 s GLU 178 Ca -0.02 -1.29 -0.24 0.00 -0.15 0.00 0.00 54.97 53.27 1sx4 s GLU 178 Cb -0.14 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.82 1sx4 s GLU 178 CO 0.03 -0.38 1.40 -0.51 0.95 0.00 0.00 175.26 176.75 1sx4 s ASP 179 N -3.01 5.71 0.43 0.83 1.11 -1.26 -2.83 116.67 117.65 1sx4 s ASP 179 Ca 0.21 2.87 0.08 0.00 0.18 0.00 0.00 52.55 55.89 1sx4 s ASP 179 Cb 0.05 -2.65 0.01 0.00 1.07 0.00 0.00 42.92 41.40 1sx4 s ASP 179 CO 0.02 -1.29 0.56 -0.83 1.18 0.00 0.00 175.17 174.81 1sx4 s GLY 180 N -0.65 1.97 -0.13 0.21 0.00 -0.10 -4.74 107.32 103.87 1sx4 s GLY 180 Ca 0.64 -1.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.46 1sx4 s GLY 180 CO 0.53 -1.54 0.47 -0.91 0.00 0.00 0.00 173.10 171.65 1sx4 h THR 181 N 0.66 0.98 -0.98 0.90 1.35 -1.91 -3.47 112.91 110.45 1sx4 h THR 181 Ca -0.39 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1sx4 h THR 181 Cb 1.28 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1sx4 h THR 181 CO 0.47 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 1sx4 n GLY 182 N 1.71 2.42 0.07 5.82 0.00 -1.26 -4.99 105.19 108.96 1sx4 n GLY 182 Ca -0.27 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 43.88 1sx4 n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sx4 n LEU 183 N 0.00 0.34 -4.88 0.99 4.77 -1.26 -3.20 117.00 113.76 1sx4 n LEU 183 Ca 0.00 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 1sx4 n LEU 183 Cb 0.00 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1sx4 n LEU 183 CO 0.00 0.19 -0.17 -1.10 -1.33 0.00 0.00 177.39 174.97 1sx4 s GLN 184 N -3.00 3.37 0.49 3.23 1.11 -1.26 -3.72 119.66 119.88 1sx4 s GLN 184 Ca -0.06 -0.36 -0.23 0.00 0.01 0.00 0.00 55.36 54.72 1sx4 s GLN 184 Cb 0.10 -3.05 -0.06 0.00 -1.01 0.00 0.00 33.01 28.98 1sx4 s GLN 184 CO 0.85 0.67 1.31 -0.51 0.01 0.00 0.00 175.29 177.61 1sx4 s ASP 185 N -1.93 5.70 -0.06 5.90 1.01 -1.26 -4.17 116.67 121.86 1sx4 s ASP 185 Ca 0.27 2.66 -0.02 0.00 0.71 0.00 0.00 52.55 56.16 1sx4 s ASP 185 Cb -0.13 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.21 1sx4 s ASP 185 CO 0.18 -1.27 0.12 -0.70 0.21 0.00 0.00 175.17 173.71 1sx4 s GLU 186 N -2.71 0.05 -0.31 8.23 2.12 0.45 -4.96 118.70 121.58 1sx4 s GLU 186 Ca 0.66 0.36 -0.11 0.00 0.36 0.00 0.00 54.97 56.24 1sx4 s GLU 186 Cb -0.38 -0.22 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 1sx4 s GLU 186 CO 0.46 -0.19 0.18 -1.17 -0.54 0.00 0.00 175.26 173.99 1sx4 s LEU 187 N 1.33 4.16 -0.09 2.70 2.96 -1.26 -0.17 118.68 128.31 1sx4 s LEU 187 Ca -0.07 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 1sx4 s LEU 187 Cb -0.12 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1sx4 s LEU 187 CO -0.05 -0.17 0.18 -1.81 -1.32 0.00 0.00 176.35 173.18 1sx4 s ASP 188 N 1.67 6.44 -0.16 3.68 1.01 -0.10 -4.98 116.67 124.23 1sx4 s ASP 188 Ca 0.06 0.52 -0.02 0.00 0.71 0.00 0.00 52.55 53.82 1sx4 s ASP 188 Cb -0.17 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 41.72 1sx4 s ASP 188 CO 0.08 0.38 0.01 -0.69 0.21 0.00 0.00 175.17 175.16 1sx4 s VAL 189 N -1.08 0.62 -0.02 -1.27 1.01 -1.26 -0.81 120.40 117.60 1sx4 s VAL 189 Ca 0.18 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1sx4 s VAL 189 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1sx4 s VAL 189 CO 0.07 -0.01 0.81 -0.69 0.00 0.00 0.00 175.10 175.27 1sx4 s VAL 190 N 1.83 4.91 -0.24 2.92 1.01 -0.48 -5.01 120.40 125.35 1sx4 s VAL 190 Ca 0.01 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.48 1sx4 s VAL 190 Cb -0.15 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1sx4 s VAL 190 CO -0.07 0.25 0.59 -1.61 0.00 0.00 0.00 175.10 174.26 1sx4 s GLU 191 N 0.67 4.14 5.88 2.72 0.41 -1.26 -3.52 118.70 127.73 1sx4 s GLU 191 Ca 0.42 0.50 0.00 0.00 -0.41 0.00 0.00 54.97 55.49 1sx4 s GLU 191 Cb -0.19 -3.62 0.00 0.00 -1.78 0.00 0.00 34.13 28.53 1sx4 s GLU 191 CO 0.22 -0.33 0.00 0.41 -0.49 0.00 0.00 175.26 175.08 1sx4 n GLY 192 N 4.08 1.98 3.71 -1.39 0.00 -1.26 -4.82 105.19 107.49 1sx4 n GLY 192 Ca -0.02 -0.52 -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 4.15 -0.23 1.61 -2.45 -1.24 -4.68 119.30 116.45 1sx4 s MET 193 Ca 0.00 -0.24 -0.26 0.00 -1.25 0.00 0.00 55.69 53.93 1sx4 s MET 193 Cb 0.00 -3.38 0.10 0.00 1.25 0.00 0.00 34.83 32.79 1sx4 s MET 193 CO 0.00 0.29 0.86 -1.14 1.05 0.00 0.00 175.02 176.09 1sx4 s GLN 194 N 0.37 0.71 0.37 4.11 0.74 -1.26 -1.98 119.66 122.72 1sx4 s GLN 194 Ca 0.07 0.66 0.06 0.00 0.05 0.00 0.00 55.36 56.20 1sx4 s GLN 194 Cb -0.11 0.35 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 1sx4 s GLN 194 CO -0.02 -0.12 0.22 -0.59 -0.55 0.00 0.00 175.29 174.24 1sx4 s PHE 195 N -0.05 1.77 -0.34 1.67 -0.71 -0.37 -5.00 117.98 114.95 1sx4 s PHE 195 Ca -0.00 -1.54 -0.02 0.00 -1.04 0.00 0.00 56.93 54.33 1sx4 s PHE 195 Cb -0.04 -0.89 0.17 0.00 -1.21 0.00 0.00 43.02 41.05 1sx4 s PHE 195 CO -0.00 -0.66 2.22 -0.25 -1.34 0.00 0.00 175.22 175.18 1sx4 n ASP 196 N -1.50 6.43 -4.04 1.98 8.00 -1.26 -2.31 116.55 123.86 1sx4 n ASP 196 Ca 0.02 -3.08 -0.27 0.00 0.71 0.00 0.00 54.79 52.18 1sx4 n ASP 196 Cb 0.63 -1.11 -0.17 0.00 -0.02 0.00 0.00 41.12 40.46 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 -1.71 1.95 0.45 -1.24 1.81 -1.13 -4.66 118.95 114.43 1sx4 s ARG 197 Ca 0.38 -0.48 0.03 0.00 -1.72 0.00 0.00 55.73 53.93 1sx4 s ARG 197 Cb 0.27 -1.65 0.01 0.00 -0.45 0.00 0.00 34.95 33.14 1sx4 s ARG 197 CO -0.05 -0.02 0.65 0.20 -0.68 0.00 0.00 175.30 175.40 1sx4 s GLY 198 N 0.84 1.71 0.58 -3.53 0.00 -1.24 -0.18 107.32 105.50 1sx4 s GLY 198 Ca -0.11 -1.31 -0.18 0.00 0.00 0.00 0.00 44.72 43.12 1sx4 s GLY 198 CO 0.01 -1.12 0.68 1.58 0.00 0.00 0.00 173.10 174.25 1sx4 n TYR 199 N -2.03 -0.16 0.44 1.90 0.18 -1.12 -4.24 117.16 112.12 1sx4 n TYR 199 Ca 0.04 0.44 0.12 0.00 1.88 0.00 0.00 57.90 60.38 1sx4 n TYR 199 Cb 0.59 -2.02 0.17 0.00 -0.38 0.00 0.00 39.34 37.70 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 0.30 0.00 -7.54 -3.48 3.38 -1.39 -3.44 115.31 103.14 1sx4 h LEU 200 Ca -0.47 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.15 1sx4 h LEU 200 Cb 1.39 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.83 1sx4 h LEU 200 CO 0.48 0.06 -0.64 -0.94 0.09 0.00 0.00 178.44 177.49 1sx4 s SER 201 N -4.76 -0.06 0.00 -0.43 1.04 -1.26 -5.02 113.70 103.21 1sx4 s SER 201 Ca 0.06 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.71 1sx4 s SER 201 Cb 0.11 0.12 0.23 0.00 0.10 0.00 0.00 66.02 66.58 1sx4 s SER 201 CO 0.71 -0.10 0.72 -2.65 0.98 0.00 0.00 173.24 172.91 1sx4 n PRO 202 N 3.73 0.12 0.10 4.02 -0.02 -1.26 -2.39 135.00 139.29 1sx4 n PRO 202 Ca -0.21 0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 1sx4 n PRO 202 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.13 6.00 0.05 -1.99 -3.26 116.97 117.65 1sx4 h TYR 203 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1sx4 h TYR 203 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1sx4 h TYR 203 CO 0.00 0.77 0.11 0.74 -1.05 0.00 0.00 178.16 178.73 1sx4 h PHE 204 N 0.00 0.00 -1.39 4.88 0.04 -1.81 -3.43 116.94 115.23 1sx4 h PHE 204 Ca -0.01 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.16 1sx4 h PHE 204 Cb 1.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 1sx4 h PHE 204 CO 0.00 0.00 1.50 -0.89 -0.60 0.00 0.00 178.31 178.32 1sx4 n ILE 205 N -4.11 0.18 1.35 -0.55 5.41 -1.23 -4.83 119.36 115.58 1sx4 n ILE 205 Ca 0.00 -0.40 0.13 0.00 1.00 0.00 0.00 62.75 63.49 1sx4 n ILE 205 Cb 0.23 -2.06 0.40 0.00 -0.71 0.00 0.00 39.64 37.50 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 11.48 1.79 -3.52 4.38 0.23 -1.26 -4.61 115.26 123.75 1sx4 n ASN 206 Ca 0.38 -1.55 -0.29 0.00 -0.53 0.00 0.00 54.58 52.60 1sx4 n ASN 206 Cb 0.34 0.03 -0.12 0.00 -2.08 0.00 0.00 39.78 37.95 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 -2.06 0.87 0.53 -3.83 1.02 -1.20 -4.99 119.74 110.09 1sx4 s LYS 207 Ca 0.34 -1.74 0.29 0.00 0.02 0.00 0.00 55.97 54.88 1sx4 s LYS 207 Cb 0.21 -1.65 1.50 0.00 -0.52 0.00 0.00 37.83 37.37 1sx4 s LYS 207 CO 0.35 -1.24 2.08 -1.00 -0.92 0.00 0.00 175.35 174.63 1sx4 h PRO 208 N 6.58 0.00 -0.78 -1.68 0.13 -1.81 -2.69 132.00 131.75 1sx4 h PRO 208 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sx4 h PRO 208 Cb 0.94 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1sx4 h PRO 208 CO 0.36 0.10 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 -1.34 114.58 116.26 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 0.32 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1sx4 h GLU 209 CO 0.01 0.71 -0.90 1.15 -1.40 0.00 0.00 179.01 178.58 1sx4 h THR 210 N 1.06 0.98 -0.23 1.13 2.02 -2.00 -3.47 112.91 112.39 1sx4 h THR 210 Ca 0.28 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.93 1sx4 h THR 210 Cb -0.08 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1sx4 h THR 210 CO -0.06 0.56 -0.05 0.61 0.37 0.00 0.00 175.52 176.95 1sx4 n GLY 211 N 1.31 0.39 3.08 2.16 0.00 -0.51 -5.05 105.19 106.58 1sx4 n GLY 211 Ca -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.10 0.38 -0.01 4.61 0.00 -1.04 -4.49 121.76 119.11 1sx4 s ALA 212 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1sx4 s ALA 212 Cb 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1sx4 s ALA 212 CO 0.00 -0.33 0.27 0.08 0.00 0.00 0.00 175.76 175.78 1sx4 s VAL 213 N -3.38 5.28 -0.09 0.00 1.01 0.69 -3.24 120.40 120.67 1sx4 s VAL 213 Ca 0.02 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1sx4 s VAL 213 Cb 0.04 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1sx4 s VAL 213 CO -0.08 0.44 0.19 -0.70 0.00 0.00 0.00 175.10 174.95 1sx4 s GLU 214 N -1.53 0.08 0.03 2.72 2.12 -1.26 -0.88 118.70 119.98 1sx4 s GLU 214 Ca 0.25 0.59 0.05 0.00 0.36 0.00 0.00 54.97 56.21 1sx4 s GLU 214 Cb -0.14 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 1sx4 s GLU 214 CO 0.14 -0.28 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.93 1sx4 s LEU 215 N 2.12 2.16 -0.04 2.70 1.43 -0.82 -4.92 118.68 121.31 1sx4 s LEU 215 Ca 0.00 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 1sx4 s LEU 215 Cb -0.12 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1sx4 s LEU 215 CO -0.07 0.03 -0.24 -1.61 0.23 0.00 0.00 176.35 174.70 1sx4 s GLU 216 N -1.08 2.37 -1.54 1.70 2.02 -1.26 -0.66 118.70 120.25 1sx4 s GLU 216 Ca 0.01 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 53.98 1sx4 s GLU 216 Cb -0.08 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 32.11 1sx4 s GLU 216 CO 0.01 0.48 0.86 0.43 0.02 0.00 0.00 175.26 177.07 1sx4 n SER 217 N 2.67 -4.41 -4.79 -0.19 7.64 -0.13 -4.61 113.62 109.79 1sx4 n SER 217 Ca -0.17 -0.76 -0.36 0.00 1.01 0.00 0.00 58.87 58.59 1sx4 n SER 217 Cb 0.52 -3.55 -0.06 0.00 -1.01 0.00 0.00 64.21 60.10 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 -6.58 4.45 0.57 1.43 0.04 -1.19 -4.61 135.00 129.09 1sx4 s PRO 218 Ca 0.64 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1sx4 s PRO 218 Cb -0.33 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1sx4 s PRO 218 CO 0.79 0.30 1.06 -0.06 0.04 0.00 0.00 177.00 179.13 1sx4 s PHE 219 N -1.62 2.95 -0.14 0.56 0.08 -0.23 -2.72 117.98 116.87 1sx4 s PHE 219 Ca 0.49 1.53 0.01 0.00 0.12 0.00 0.00 56.93 59.08 1sx4 s PHE 219 Cb -0.17 -3.05 0.02 0.00 -0.57 0.00 0.00 43.02 39.25 1sx4 s PHE 219 CO 0.22 -1.10 -0.15 0.42 -0.10 0.00 0.00 175.22 174.50 1sx4 s ILE 220 N -2.28 1.62 -0.35 0.64 1.01 0.24 -0.04 121.20 122.03 1sx4 s ILE 220 Ca 0.65 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 1sx4 s ILE 220 Cb -0.17 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1sx4 s ILE 220 CO 0.32 0.47 0.33 -0.22 0.00 0.00 0.00 174.94 175.84 1sx4 s LEU 221 N 1.29 4.56 -0.39 2.97 2.96 0.25 -0.66 118.68 129.65 1sx4 s LEU 221 Ca 0.01 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 1sx4 s LEU 221 Cb -0.14 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1sx4 s LEU 221 CO -0.08 -0.34 0.24 -0.76 -1.32 0.00 0.00 176.35 174.09 1sx4 s LEU 222 N 1.92 4.86 -0.26 -0.68 1.43 -1.26 -0.66 118.68 124.03 1sx4 s LEU 222 Ca 0.10 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1sx4 s LEU 222 Cb -0.17 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1sx4 s LEU 222 CO 0.11 -0.42 -0.09 0.00 0.23 0.00 0.00 176.35 176.18 1sx4 s ALA 223 N 1.57 2.60 -1.42 4.21 0.00 -0.63 -1.60 121.76 126.49 1sx4 s ALA 223 Ca 0.03 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1sx4 s ALA 223 Cb -0.20 -1.62 0.07 0.00 0.00 0.00 0.00 23.12 21.37 1sx4 s ALA 223 CO 0.07 -1.09 2.25 -3.47 0.00 0.00 0.00 175.76 173.53 1sx4 n ASP 224 N 4.51 5.37 0.00 0.00 2.03 -0.95 -2.23 116.55 125.28 1sx4 n ASP 224 Ca -0.15 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1sx4 n ASP 224 Cb 0.44 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 4.64 0.00 -1.69 -0.67 2.85 -1.26 -4.34 118.16 117.69 1sx4 n LYS 225 Ca 0.53 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.42 1sx4 n LYS 225 Cb 0.34 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.79 1sx4 n LYS 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1sx4 n LYS 226 N -0.12 1.08 -4.00 -1.58 5.02 -1.26 -3.20 118.16 114.09 1sx4 n LYS 226 Ca 0.00 0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 56.40 1sx4 n LYS 226 Cb 0.00 -2.42 -0.15 0.00 -0.02 0.00 0.00 35.03 32.44 1sx4 n LYS 226 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sx4 s ILE 227 N -1.42 2.03 -0.19 -0.18 1.01 -0.31 -4.90 121.20 117.23 1sx4 s ILE 227 Ca 0.80 -1.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1sx4 s ILE 227 Cb -0.39 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.63 1sx4 s ILE 227 CO 0.43 -0.35 -0.23 -1.20 0.00 0.00 0.00 174.94 173.59 1sx4 n SER 228 N 4.41 1.71 -4.71 3.58 7.64 -1.26 -2.88 113.62 122.12 1sx4 n SER 228 Ca -0.05 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 1sx4 n SER 228 Cb 0.42 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 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 -6.47 6.74 0.39 6.43 0.01 -1.26 -0.05 114.94 120.73 1sx4 s ASN 229 Ca -0.26 0.89 0.20 0.00 -0.71 0.00 0.00 52.86 52.97 1sx4 s ASN 229 Cb 0.09 -2.32 0.68 0.00 0.41 0.00 0.00 41.25 40.11 1sx4 s ASN 229 CO 0.36 -0.08 1.73 -0.29 -1.51 0.00 0.00 177.10 177.31 1sx4 h ILE 230 N 4.83 0.76 -0.91 0.60 2.10 -1.89 -3.14 117.51 119.87 1sx4 h ILE 230 Ca -0.39 -1.47 0.25 0.00 1.08 0.00 0.00 64.86 64.33 1sx4 h ILE 230 Cb 1.18 1.93 -0.14 0.00 -1.09 0.00 0.00 36.82 38.70 1sx4 h ILE 230 CO 0.76 0.33 0.35 0.03 -1.08 0.00 0.00 178.15 178.53 1sx4 h ARG 231 N 0.00 0.28 0.00 2.19 3.08 -2.00 0.24 114.38 118.17 1sx4 h ARG 231 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1sx4 h ARG 231 Cb 0.91 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1sx4 h ARG 231 CO 0.04 0.18 0.00 0.93 -1.07 0.00 0.00 179.97 180.06 1sx4 h GLU 232 N 0.28 0.00 0.06 0.04 5.08 -1.98 -2.98 114.58 115.09 1sx4 h GLU 232 Ca 0.59 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.58 1sx4 h GLU 232 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1sx4 h GLU 232 CO -0.61 0.00 -2.19 -1.33 -1.00 0.00 0.00 179.01 173.88 1sx4 n MET 233 N -3.05 0.70 -0.38 2.33 2.81 0.83 -2.88 117.12 117.49 1sx4 n MET 233 Ca -0.03 0.23 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 1sx4 n MET 233 Cb 0.07 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 30.98 1sx4 n MET 233 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1sx4 h LEU 234 N -0.04 -1.50 -1.77 4.03 3.38 -1.34 0.50 115.31 118.58 1sx4 h LEU 234 Ca -0.50 0.31 0.25 0.00 0.09 0.00 0.00 57.88 58.03 1sx4 h LEU 234 Cb 1.94 0.77 -0.05 0.00 0.09 0.00 0.00 40.66 43.41 1sx4 h LEU 234 CO -0.02 -0.28 0.65 1.55 0.09 0.00 0.00 178.44 180.43 1sx4 h PRO 235 N -0.00 0.17 0.00 1.13 0.13 -1.85 -2.59 132.00 128.98 1sx4 h PRO 235 Ca 0.33 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.42 1sx4 h PRO 235 Cb 0.58 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1sx4 h PRO 235 CO -0.98 0.11 -0.40 0.28 -0.23 0.00 0.00 178.00 176.78 1sx4 h VAL 236 N 0.17 0.22 -1.25 1.56 2.07 -0.26 -3.12 116.25 115.64 1sx4 h VAL 236 Ca 0.47 -1.22 0.36 0.00 0.82 0.00 0.00 66.70 67.13 1sx4 h VAL 236 Cb 1.56 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1sx4 h VAL 236 CO -0.09 0.07 1.04 -0.07 0.02 0.00 0.00 177.57 178.54 1sx4 h LEU 237 N -1.00 0.00 0.03 2.57 3.38 -1.17 0.92 115.31 120.03 1sx4 h LEU 237 Ca -0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.61 1sx4 h LEU 237 Cb 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1sx4 h LEU 237 CO -0.02 0.00 -1.90 -0.62 0.09 0.00 0.00 178.44 175.98 1sx4 n GLU 238 N -3.82 0.67 0.12 1.13 1.02 -0.99 -2.03 120.64 116.74 1sx4 n GLU 238 Ca 0.27 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.70 1sx4 n GLU 238 Cb 1.44 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 31.59 1sx4 n GLU 238 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 239 N 0.76 1.67 0.04 0.62 0.00 -0.80 -2.75 119.26 118.81 1sx4 h ALA 239 Ca -0.37 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1sx4 h ALA 239 Cb 2.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.76 1sx4 h ALA 239 CO 0.07 0.25 -1.06 0.28 0.00 0.00 0.00 179.25 178.79 1sx4 h VAL 240 N 0.26 1.37 0.00 0.00 2.07 -1.30 -3.14 116.25 115.51 1sx4 h VAL 240 Ca 0.06 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 1sx4 h VAL 240 Cb 0.18 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1sx4 h VAL 240 CO 0.00 0.75 -0.08 0.00 0.02 0.00 0.00 177.57 178.26 1sx4 h ALA 241 N 0.57 1.60 0.09 1.67 0.00 -1.26 -1.85 119.26 120.08 1sx4 h ALA 241 Ca -0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1sx4 h ALA 241 Cb 1.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1sx4 h ALA 241 CO 0.19 0.10 -1.14 0.87 0.00 0.00 0.00 179.25 179.27 1sx4 h LYS 242 N 0.00 0.28 0.00 0.00 1.57 -1.52 -3.21 116.57 113.70 1sx4 h LYS 242 Ca -0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1sx4 h LYS 242 Cb 0.17 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1sx4 h LYS 242 CO 0.01 1.16 -0.09 0.00 -0.57 0.00 0.00 179.45 179.97 1sx4 n ALA 243 N -2.52 2.48 -1.49 3.86 0.00 -0.95 -4.94 120.51 116.94 1sx4 n ALA 243 Ca -0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1sx4 n ALA 243 Cb 0.96 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 0.99 3.66 0.00 0.00 -0.74 -5.02 105.19 105.53 1sx4 n GLY 244 Ca 0.06 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.26 2.44 1.00 1.61 1.02 -1.23 -5.07 119.74 116.25 1sx4 s LYS 245 Ca 0.00 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 54.91 1sx4 s LYS 245 Cb 0.00 -2.45 0.19 0.00 -0.52 0.00 0.00 37.83 35.05 1sx4 s LYS 245 CO 0.00 0.51 1.11 -1.25 -0.92 0.00 0.00 175.35 174.79 1sx4 s PRO 246 N -2.52 0.44 -0.05 -1.68 0.04 -1.26 -4.73 135.00 125.23 1sx4 s PRO 246 Ca 0.26 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1sx4 s PRO 246 Cb -0.11 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1sx4 s PRO 246 CO 0.18 -2.70 0.11 -1.17 0.04 0.00 0.00 177.00 173.46 1sx4 s LEU 247 N -6.39 1.02 -0.12 -3.56 2.96 0.15 -1.07 118.68 111.67 1sx4 s LEU 247 Ca 0.65 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1sx4 s LEU 247 Cb -0.17 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 1sx4 s LEU 247 CO 0.56 -0.12 0.15 -0.22 -1.32 0.00 0.00 176.35 175.41 1sx4 s LEU 248 N 0.87 4.39 -0.31 -0.68 2.96 0.94 -1.80 118.68 125.05 1sx4 s LEU 248 Ca -0.07 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1sx4 s LEU 248 Cb -0.09 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.57 1sx4 s LEU 248 CO -0.04 0.39 0.00 -0.63 -1.32 0.00 0.00 176.35 174.76 1sx4 s ILE 249 N -0.96 2.75 -0.43 6.68 -1.09 -0.12 0.85 121.20 128.88 1sx4 s ILE 249 Ca 0.15 -1.62 -0.05 0.00 -2.23 0.00 0.00 60.65 56.90 1sx4 s ILE 249 Cb -0.12 -2.67 0.11 0.00 -1.58 0.00 0.00 42.46 38.20 1sx4 s ILE 249 CO 0.04 -0.20 0.25 -0.63 -1.23 0.00 0.00 174.94 173.17 1sx4 s ILE 250 N 1.17 3.66 0.47 2.92 1.01 0.16 -2.08 121.20 128.52 1sx4 s ILE 250 Ca -0.03 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 58.77 1sx4 s ILE 250 Cb -0.20 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1sx4 s ILE 250 CO -0.03 -0.69 0.13 0.00 0.00 0.00 0.00 174.94 174.34 1sx4 s ALA 251 N 1.24 3.86 0.51 9.38 0.00 -1.24 -1.60 121.76 133.90 1sx4 s ALA 251 Ca 0.07 -1.35 0.18 0.00 0.00 0.00 0.00 51.96 50.86 1sx4 s ALA 251 Cb -0.24 -0.19 1.26 0.00 0.00 0.00 0.00 23.12 23.95 1sx4 s ALA 251 CO -0.02 -0.16 2.08 1.49 0.00 0.00 0.00 175.76 179.15 1sx4 h GLU 252 N 1.33 0.07 -1.05 0.00 4.81 -1.41 0.62 114.58 118.97 1sx4 h GLU 252 Ca -0.42 -0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.11 1sx4 h GLU 252 Cb 1.28 -0.02 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 1sx4 h GLU 252 CO 0.71 0.05 0.98 0.34 -0.73 0.00 0.00 179.01 180.36 1sx4 s ASP 253 N -6.69 -0.02 -0.23 1.04 2.15 -1.26 -4.30 116.67 107.36 1sx4 s ASP 253 Ca -0.05 0.01 0.01 0.00 0.43 0.00 0.00 52.55 52.94 1sx4 s ASP 253 Cb 0.18 0.02 0.06 0.00 -0.30 0.00 0.00 42.92 42.88 1sx4 s ASP 253 CO 0.70 -0.02 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.94 1sx4 s VAL 254 N -1.74 1.48 0.14 1.11 1.01 -1.26 -1.16 120.40 119.99 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 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1sx4 s VAL 254 CO -0.04 -0.11 0.19 -0.62 0.00 0.00 0.00 175.10 174.52 1sx4 n GLU 255 N 4.69 0.48 0.00 2.72 1.02 -1.14 -4.75 120.64 123.66 1sx4 n GLU 255 Ca -0.12 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 1sx4 n GLU 255 Cb 0.44 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 1sx4 n GLU 255 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx4 n GLY 256 N 3.51 -2.01 0.40 0.62 0.00 -1.26 -1.50 105.19 104.96 1sx4 n GLY 256 Ca 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.32 0.94 1.61 4.22 -1.92 0.19 114.58 119.30 1sx4 h GLU 257 Ca 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 1sx4 h GLU 257 Cb 0.00 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sx4 h GLU 257 CO 0.00 -0.21 -0.45 0.00 -2.18 0.00 0.00 179.01 176.17 1sx4 h ALA 258 N 0.39 -1.33 -0.20 2.92 0.00 -0.57 -3.03 119.26 117.44 1sx4 h ALA 258 Ca 0.13 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 258 Cb 0.58 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1sx4 h ALA 258 CO -0.59 -1.23 -0.40 1.25 0.00 0.00 0.00 179.25 178.28 1sx4 h LEU 259 N -1.27 -1.29 -0.83 0.00 5.85 -0.92 -0.59 115.31 116.26 1sx4 h LEU 259 Ca -0.13 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1sx4 h LEU 259 Cb 0.96 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 1sx4 h LEU 259 CO 0.21 -0.32 -0.47 0.00 -0.34 0.00 0.00 178.44 177.52 1sx4 n ALA 260 N -2.93 -0.48 -0.23 1.25 0.00 0.63 0.18 120.51 118.93 1sx4 n ALA 260 Ca -0.03 0.72 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 1sx4 n ALA 260 Cb 0.26 -0.15 0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 1.07 -0.53 0.00 2.02 -1.22 0.63 112.91 114.88 1sx4 h THR 261 Ca 0.15 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.12 1sx4 h THR 261 Cb 0.36 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1sx4 h THR 261 CO -0.78 0.15 0.24 -0.07 0.37 0.00 0.00 175.52 175.42 1sx4 h LEU 262 N 0.80 0.30 -0.49 2.58 3.38 0.75 0.94 115.31 123.58 1sx4 h LEU 262 Ca 0.27 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.31 1sx4 h LEU 262 Cb 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1sx4 h LEU 262 CO -0.12 0.20 0.29 0.58 0.09 0.00 0.00 178.44 179.49 1sx4 h VAL 263 N 0.45 1.05 -0.29 1.22 2.07 0.82 0.12 116.25 121.70 1sx4 h VAL 263 Ca 0.25 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1sx4 h VAL 263 Cb 0.21 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1sx4 h VAL 263 CO -0.21 0.11 -0.04 0.58 0.02 0.00 0.00 177.57 178.03 1sx4 h VAL 264 N 0.59 1.19 0.08 2.57 2.07 -0.23 -2.19 116.25 120.33 1sx4 h VAL 264 Ca 0.20 -0.79 -0.28 0.00 0.82 0.00 0.00 66.70 66.64 1sx4 h VAL 264 Cb 0.01 1.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1sx4 h VAL 264 CO -0.09 0.26 -1.17 0.78 0.02 0.00 0.00 177.57 177.38 1sx4 h ASN 265 N 0.43 0.85 -0.23 0.57 -0.26 -0.07 -3.12 115.58 113.76 1sx4 h ASN 265 Ca 0.09 -0.75 -0.18 0.00 -0.56 0.00 0.00 56.30 54.91 1sx4 h ASN 265 Cb 0.34 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1sx4 h ASN 265 CO 0.01 1.55 -0.54 0.71 -1.06 0.00 0.00 177.43 178.10 1sx4 h THR 266 N 0.30 1.29 -0.02 2.81 1.35 -1.01 -2.76 112.91 114.87 1sx4 h THR 266 Ca -0.16 -1.74 0.03 0.00 -0.55 0.00 0.00 66.41 63.98 1sx4 h THR 266 Cb 1.83 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.97 1sx4 h THR 266 CO 0.22 0.56 -0.44 -0.03 -0.25 0.00 0.00 175.52 175.58 1sx4 h MET 267 N 0.52 -0.56 0.00 4.72 -1.53 -1.47 -2.72 114.93 113.89 1sx4 h MET 267 Ca -0.00 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1sx4 h MET 267 Cb 1.16 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 32.33 1sx4 h MET 267 CO 0.12 -0.38 0.00 0.54 0.14 0.00 0.00 176.91 177.33 1sx4 n ARG 268 N -5.45 0.42 -2.01 0.39 1.74 -1.18 -4.78 116.66 105.78 1sx4 n ARG 268 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 1sx4 n ARG 268 Cb 0.38 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.11 0.19 0.02 -0.13 0.00 -1.03 -4.98 105.19 99.15 1sx4 n GLY 269 Ca 0.04 -0.57 -0.01 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 -3.57 -0.61 2.04 -1.67 -3.47 117.51 110.23 1sx4 h ILE 270 Ca -0.19 -0.11 -0.33 0.00 1.00 0.00 0.00 64.86 65.23 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 0.23 0.00 -0.75 -0.69 0.00 0.00 0.00 178.15 176.94 1sx4 s VAL 271 N -1.57 0.21 -0.33 1.67 1.01 -1.23 -5.02 120.40 115.14 1sx4 s VAL 271 Ca -0.01 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1sx4 s VAL 271 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1sx4 s VAL 271 CO 0.02 0.13 1.51 -0.54 0.00 0.00 0.00 175.10 176.22 1sx4 s LYS 272 N 0.77 3.65 0.05 2.72 3.01 -1.26 -4.03 119.74 124.64 1sx4 s LYS 272 Ca -0.08 1.25 -0.03 0.00 -1.01 0.00 0.00 55.97 56.11 1sx4 s LYS 272 Cb -0.11 -4.03 -0.02 0.00 -1.01 0.00 0.00 37.83 32.66 1sx4 s LYS 272 CO -0.01 -1.46 0.03 0.08 0.51 0.00 0.00 175.35 174.49 1sx4 s VAL 273 N 5.42 0.17 0.05 3.17 1.01 -1.26 -0.68 120.40 128.28 1sx4 s VAL 273 Ca 0.66 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1sx4 s VAL 273 Cb -0.18 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1sx4 s VAL 273 CO 0.30 -0.77 0.21 0.00 0.00 0.00 0.00 175.10 174.84 1sx4 s ALA 274 N -3.14 -0.38 -0.03 5.51 0.00 -0.75 -4.87 121.76 118.10 1sx4 s ALA 274 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 1sx4 s ALA 274 Cb 0.02 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1sx4 s ALA 274 CO -0.07 -0.39 0.17 0.00 0.00 0.00 0.00 175.76 175.47 1sx4 s ALA 275 N -2.79 -0.43 -0.22 0.00 0.00 -1.26 -0.94 121.76 116.11 1sx4 s ALA 275 Ca -0.03 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 1sx4 s ALA 275 Cb 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1sx4 s ALA 275 CO -0.05 -0.16 0.59 0.14 0.00 0.00 0.00 175.76 176.28 1sx4 s VAL 276 N -0.68 -0.00 0.96 0.00 -7.23 -0.88 -0.85 120.40 111.71 1sx4 s VAL 276 Ca -0.08 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.99 1sx4 s VAL 276 Cb -0.05 -0.83 0.12 0.00 0.56 0.00 0.00 36.38 36.19 1sx4 s VAL 276 CO 0.01 0.00 0.86 0.29 -0.31 0.00 0.00 175.10 175.96 1sx4 n LYS 277 N 3.11 -0.61 -1.94 4.82 5.02 -1.26 -3.70 118.16 123.60 1sx4 n LYS 277 Ca -0.15 -0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.69 1sx4 n LYS 277 Cb 0.56 -2.17 0.02 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.53 2.71 0.18 7.82 0.00 0.21 -4.77 121.76 125.38 1sx4 s ALA 278 Ca 0.63 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1sx4 s ALA 278 Cb -0.22 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1sx4 s ALA 278 CO 0.62 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 1sx4 s PRO 279 N -4.25 4.60 2.08 0.00 0.04 -1.26 -4.86 135.00 131.35 1sx4 s PRO 279 Ca 0.63 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1sx4 s PRO 279 Cb -0.16 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1sx4 s PRO 279 CO 0.40 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1sx4 n GLY 280 N 2.05 -0.71 0.00 0.56 0.00 -1.26 -4.24 105.19 101.58 1sx4 n GLY 280 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.39 0.00 -0.39 1.61 -1.74 -1.26 -4.82 117.46 109.47 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 1.34 3.35 0.13 4.97 0.00 -1.26 -3.16 105.19 110.55 1sx4 n GLY 282 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 0.79 0.46 -0.11 1.61 3.32 -2.00 -3.33 116.42 117.15 1sx4 h ASP 283 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 1sx4 h ASP 283 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1sx4 h ASP 283 CO 0.00 1.60 0.03 0.08 -1.72 0.00 0.00 179.24 179.22 1sx4 h ARG 284 N 0.08 0.25 -0.47 3.56 0.11 -1.96 -3.15 114.38 112.80 1sx4 h ARG 284 Ca -0.30 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 59.80 1sx4 h ARG 284 Cb 2.05 -0.05 -0.09 0.00 1.11 0.00 0.00 29.97 32.99 1sx4 h ARG 284 CO 0.16 0.26 -0.54 -0.09 0.10 0.00 0.00 179.97 179.85 1sx4 h ARG 285 N 0.25 -0.33 -0.62 0.08 2.43 -1.66 1.32 114.38 115.85 1sx4 h ARG 285 Ca 0.06 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1sx4 h ARG 285 Cb 0.13 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1sx4 h ARG 285 CO -0.00 -0.22 0.40 0.87 -1.51 0.00 0.00 179.97 179.51 1sx4 h LYS 286 N -0.35 0.79 -0.53 0.20 1.57 -1.76 0.98 116.57 117.48 1sx4 h LYS 286 Ca 0.10 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 286 Cb 0.58 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1sx4 h LYS 286 CO -0.63 0.52 0.05 0.00 -0.57 0.00 0.00 179.45 178.82 1sx4 h ALA 287 N 1.24 0.71 -0.12 3.86 0.00 -1.34 -1.89 119.26 121.73 1sx4 h ALA 287 Ca 0.24 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1sx4 h ALA 287 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1sx4 h ALA 287 CO -0.07 0.48 -0.75 1.98 0.00 0.00 0.00 179.25 180.90 1sx4 h MET 288 N 0.78 0.59 -0.65 0.00 4.05 0.24 -2.33 114.93 117.62 1sx4 h MET 288 Ca 0.16 -0.48 0.02 0.00 -0.28 0.00 0.00 59.70 59.12 1sx4 h MET 288 Cb 0.47 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 1sx4 h MET 288 CO 0.02 1.10 0.43 1.25 0.23 0.00 0.00 176.91 179.94 1sx4 h LEU 289 N 0.40 0.69 -1.12 3.39 6.46 0.97 -1.06 115.31 125.03 1sx4 h LEU 289 Ca -0.04 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1sx4 h LEU 289 Cb 1.35 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 1sx4 h LEU 289 CO 0.14 0.49 0.59 -0.61 -0.62 0.00 0.00 178.44 178.43 1sx4 h GLN 290 N 0.81 1.18 -0.18 1.25 5.75 -0.96 -1.65 115.11 121.30 1sx4 h GLN 290 Ca 0.25 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1sx4 h GLN 290 Cb 0.01 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.23 1sx4 h GLN 290 CO -0.06 0.78 -0.20 -0.44 -2.65 0.00 0.00 178.83 176.25 1sx4 h ASP 291 N 1.21 -0.63 -0.95 -0.69 3.32 -0.67 -1.16 116.42 116.85 1sx4 h ASP 291 Ca 0.33 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.57 1sx4 h ASP 291 Cb -0.14 0.30 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1sx4 h ASP 291 CO -0.07 -0.25 0.60 0.40 -1.72 0.00 0.00 179.24 178.21 1sx4 h ILE 292 N -0.23 1.03 0.41 0.35 2.04 -1.02 -0.74 117.51 119.35 1sx4 h ILE 292 Ca 0.12 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1sx4 h ILE 292 Cb 0.40 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1sx4 h ILE 292 CO -0.32 0.19 -0.48 0.00 0.00 0.00 0.00 178.15 177.54 1sx4 h ALA 293 N 1.46 -1.05 -0.25 1.87 0.00 -0.56 -2.61 119.26 118.11 1sx4 h ALA 293 Ca 0.43 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1sx4 h ALA 293 Cb 0.24 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 293 CO -0.20 -1.13 -0.25 1.15 0.00 0.00 0.00 179.25 178.82 1sx4 h THR 294 N -0.92 0.37 -0.60 0.00 2.02 -0.37 0.48 112.91 113.90 1sx4 h THR 294 Ca -0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1sx4 h THR 294 Cb 0.82 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1sx4 h THR 294 CO -0.11 0.00 0.40 0.25 0.37 0.00 0.00 175.52 176.43 1sx4 h LEU 295 N -0.26 0.36 -2.23 2.58 7.12 -1.08 -2.35 115.31 119.46 1sx4 h LEU 295 Ca 0.14 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1sx4 h LEU 295 Cb 0.47 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1sx4 h LEU 295 CO -0.40 0.22 0.00 0.35 -0.13 0.00 0.00 178.44 178.48 1sx4 n THR 296 N -4.47 0.55 -3.41 1.05 -2.24 -0.87 -2.16 114.28 102.73 1sx4 n THR 296 Ca 0.10 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 1sx4 n THR 296 Cb 0.38 0.83 0.09 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.55 -0.38 3.66 3.38 0.00 0.16 -0.84 105.19 111.72 1sx4 n GLY 297 Ca 0.09 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.32 2.73 -0.16 -0.02 0.00 -0.34 -4.46 107.32 100.76 1sx4 s GLY 298 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.56 1sx4 s GLY 298 CO 0.72 -2.08 -0.21 -1.59 0.00 0.00 0.00 173.10 169.95 1sx4 s THR 299 N -2.92 2.09 0.26 0.90 2.01 0.26 -4.45 115.64 113.78 1sx4 s THR 299 Ca 0.19 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 1sx4 s THR 299 Cb 0.05 -1.85 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 1sx4 s THR 299 CO 0.10 0.54 1.61 -0.69 -0.69 0.00 0.00 174.62 175.50 1sx4 s VAL 300 N 1.02 2.14 -0.64 3.82 1.01 -1.26 -4.69 120.40 121.80 1sx4 s VAL 300 Ca -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1sx4 s VAL 300 Cb -0.14 -3.07 0.17 0.00 0.00 0.00 0.00 36.38 33.33 1sx4 s VAL 300 CO -0.07 0.02 0.46 -0.63 0.00 0.00 0.00 175.10 174.88 1sx4 s ILE 301 N 0.37 3.74 0.03 2.22 1.01 -0.63 -4.98 121.20 122.96 1sx4 s ILE 301 Ca 0.66 -3.04 0.05 0.00 0.00 0.00 0.00 60.65 58.32 1sx4 s ILE 301 Cb -0.47 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1sx4 s ILE 301 CO 0.42 -0.89 -0.12 -0.94 0.00 0.00 0.00 174.94 173.41 1sx4 s SER 302 N 0.59 4.24 0.00 3.58 1.04 -1.26 -2.23 113.70 119.65 1sx4 s SER 302 Ca 0.18 -0.28 0.15 0.00 0.48 0.00 0.00 55.95 56.48 1sx4 s SER 302 Cb -0.19 -0.86 0.91 0.00 0.10 0.00 0.00 66.02 65.98 1sx4 s SER 302 CO -0.04 0.26 1.33 -0.62 0.98 0.00 0.00 173.24 175.16 1sx4 n GLU 303 N 1.51 0.53 0.13 4.02 1.02 -1.26 -3.09 120.64 123.49 1sx4 n GLU 303 Ca -0.16 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.74 1sx4 n GLU 303 Cb 0.52 -1.45 -0.16 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.52 -0.48 3.49 5.08 -1.90 -3.01 114.58 118.27 1sx4 h GLU 304 Ca 0.00 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1sx4 h GLU 304 Cb 0.00 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1sx4 h GLU 304 CO 0.00 1.41 0.00 -0.89 -1.00 0.00 0.00 179.01 178.53 1sx4 n ILE 305 N -3.79 0.34 -3.02 3.13 5.41 -1.18 -4.90 119.36 115.35 1sx4 n ILE 305 Ca -0.16 -0.22 -0.05 0.00 1.00 0.00 0.00 62.75 63.32 1sx4 n ILE 305 Cb 1.06 -0.15 0.02 0.00 -0.71 0.00 0.00 39.64 39.86 1sx4 n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sx4 n GLY 306 N 0.46 -1.13 3.29 7.39 0.00 -1.14 -5.06 105.19 109.00 1sx4 n GLY 306 Ca 0.05 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.43 1.14 -0.01 1.61 -1.94 -1.18 -5.02 119.30 110.47 1sx4 s MET 307 Ca 0.14 -1.27 0.06 0.00 -1.71 0.00 0.00 55.69 52.92 1sx4 s MET 307 Cb -0.02 -1.22 -0.02 0.00 2.01 0.00 0.00 34.83 35.59 1sx4 s MET 307 CO 0.70 0.26 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.56 1sx4 s GLU 308 N -2.43 1.56 0.20 2.03 2.02 -1.26 -4.22 118.70 116.60 1sx4 s GLU 308 Ca 0.10 -0.71 -0.10 0.00 0.02 0.00 0.00 54.97 54.28 1sx4 s GLU 308 Cb -0.07 -1.52 0.26 0.00 0.10 0.00 0.00 34.13 32.90 1sx4 s GLU 308 CO 0.05 0.41 1.75 -0.07 0.02 0.00 0.00 175.26 177.42 1sx4 h LEU 309 N 5.60 0.22 -0.87 1.80 3.38 -1.92 -2.45 115.31 121.06 1sx4 h LEU 309 Ca -0.38 0.07 0.17 0.00 0.09 0.00 0.00 57.88 57.83 1sx4 h LEU 309 Cb 1.14 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 1sx4 h LEU 309 CO 0.48 0.14 0.43 -0.33 0.09 0.00 0.00 178.44 179.24 1sx4 h GLU 310 N 0.40 0.53 -3.46 1.13 3.07 -1.87 -2.16 114.58 112.23 1sx4 h GLU 310 Ca 0.29 -0.03 -0.75 0.00 -0.50 0.00 0.00 59.36 58.37 1sx4 h GLU 310 Cb 0.35 -0.12 -0.15 0.00 -0.84 0.00 0.00 28.75 27.99 1sx4 h GLU 310 CO -0.29 0.35 2.11 1.63 -1.40 0.00 0.00 179.01 181.41 1sx4 n LYS 311 N -4.93 3.65 -3.52 2.33 5.02 -0.92 -4.76 118.16 115.03 1sx4 n LYS 311 Ca 0.19 -3.48 -0.20 0.00 -2.02 0.00 0.00 58.31 52.80 1sx4 n LYS 311 Cb 0.52 -2.92 -0.14 0.00 -0.02 0.00 0.00 35.03 32.47 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 0.40 -0.13 0.90 7.82 0.00 -0.82 -4.70 121.76 125.23 1sx4 s ALA 312 Ca 0.41 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 1sx4 s ALA 312 Cb 0.10 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 22.10 1sx4 s ALA 312 CO -0.00 -1.19 1.17 0.95 0.00 0.00 0.00 175.76 176.68 1sx4 s THR 313 N 2.29 1.98 0.38 0.00 -4.23 -1.26 -4.53 115.64 110.26 1sx4 s THR 313 Ca 0.06 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.74 1sx4 s THR 313 Cb -0.16 -2.84 0.38 0.00 1.34 0.00 0.00 72.50 71.22 1sx4 s THR 313 CO -0.11 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.64 1sx4 h LEU 314 N -1.44 0.49 -1.06 4.79 3.38 -1.93 -2.52 115.31 117.01 1sx4 h LEU 314 Ca -0.48 0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.74 1sx4 h LEU 314 Cb 1.32 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 1sx4 h LEU 314 CO 0.59 0.06 0.62 -0.08 0.09 0.00 0.00 178.44 179.71 1sx4 h GLU 315 N 0.41 0.86 0.00 1.13 4.81 -2.00 -1.40 114.58 118.39 1sx4 h GLU 315 Ca 0.63 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.78 1sx4 h GLU 315 Cb 1.53 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1sx4 h GLU 315 CO -0.37 0.57 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.87 1sx4 h ASP 316 N 0.88 0.00 -3.67 1.04 3.32 -1.82 -3.44 116.42 112.73 1sx4 h ASP 316 Ca 0.51 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 57.04 1sx4 h ASP 316 Cb 0.64 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.23 1sx4 h ASP 316 CO -0.28 0.16 0.61 -0.76 -1.72 0.00 0.00 179.24 177.25 1sx4 s LEU 317 N -7.76 4.45 1.04 1.55 1.02 -0.53 0.88 118.68 119.33 1sx4 s LEU 317 Ca -0.03 2.49 -0.14 0.00 0.02 0.00 0.00 54.13 56.47 1sx4 s LEU 317 Cb 0.14 -3.63 0.21 0.00 0.02 0.00 0.00 46.19 42.93 1sx4 s LEU 317 CO 0.63 -0.45 1.11 -0.83 0.02 0.00 0.00 176.35 176.83 1sx4 s GLY 318 N -0.24 1.57 -0.03 -3.19 0.00 0.17 -4.45 107.32 101.15 1sx4 s GLY 318 Ca 0.51 -0.56 -0.19 0.00 0.00 0.00 0.00 44.72 44.49 1sx4 s GLY 318 CO 0.45 0.12 0.40 1.62 0.00 0.00 0.00 173.10 175.69 1sx4 s GLN 319 N -5.13 0.76 0.35 2.90 0.74 -0.02 0.81 119.66 120.06 1sx4 s GLN 319 Ca 0.67 -0.05 0.01 0.00 0.05 0.00 0.00 55.36 56.03 1sx4 s GLN 319 Cb -0.16 0.34 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1sx4 s GLN 319 CO 0.57 -0.21 0.42 0.00 -0.55 0.00 0.00 175.29 175.51 1sx4 s ALA 320 N -1.23 1.12 -0.15 1.58 0.00 -1.10 -1.89 121.76 120.10 1sx4 s ALA 320 Ca -0.12 -1.70 0.18 0.00 0.00 0.00 0.00 51.96 50.31 1sx4 s ALA 320 Cb -0.04 1.25 -0.10 0.00 0.00 0.00 0.00 23.12 24.24 1sx4 s ALA 320 CO 0.05 -0.75 0.90 0.87 0.00 0.00 0.00 175.76 176.83 1sx4 h LYS 321 N 2.10 0.00 -1.70 0.00 1.57 -1.29 -3.16 116.57 114.09 1sx4 h LYS 321 Ca -0.27 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1sx4 h LYS 321 Cb 1.24 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 1sx4 h LYS 321 CO 0.38 0.23 0.40 1.03 -0.57 0.00 0.00 179.45 180.92 1sx4 s ARG 322 N -3.03 0.67 0.05 3.15 0.52 -1.19 -0.96 118.95 118.16 1sx4 s ARG 322 Ca -0.02 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.65 1sx4 s ARG 322 Cb 0.09 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.86 1sx4 s ARG 322 CO 0.80 -0.16 -0.11 0.14 0.02 0.00 0.00 175.30 176.00 1sx4 s VAL 323 N -0.47 0.81 -0.11 3.52 -7.23 0.16 -0.75 120.40 116.34 1sx4 s VAL 323 Ca -0.01 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1sx4 s VAL 323 Cb -0.03 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.15 1sx4 s VAL 323 CO 0.00 -0.23 0.00 -0.69 -0.31 0.00 0.00 175.10 173.88 1sx4 s VAL 324 N -1.16 0.47 -0.06 1.32 1.01 -0.21 -1.94 120.40 119.84 1sx4 s VAL 324 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1sx4 s VAL 324 Cb -0.09 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1sx4 s VAL 324 CO 0.01 0.16 -0.10 0.27 0.00 0.00 0.00 175.10 175.44 1sx4 s ILE 325 N 1.92 0.94 0.00 2.22 -4.36 -0.06 -0.78 121.20 121.08 1sx4 s ILE 325 Ca 0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1sx4 s ILE 325 Cb -0.13 -0.88 0.00 0.00 1.25 0.00 0.00 42.46 42.69 1sx4 s ILE 325 CO -0.06 0.31 0.00 0.59 0.24 0.00 0.00 174.94 176.02 1sx4 n ASN 326 N 3.87 0.46 0.02 4.36 3.02 -0.05 -0.22 115.26 126.71 1sx4 n ASN 326 Ca -0.24 -0.46 0.05 0.00 -0.03 0.00 0.00 54.58 53.91 1sx4 n ASN 326 Cb 0.51 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.14 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 0.47 -0.07 3.52 3.64 -1.92 -2.98 116.57 119.24 1sx4 h LYS 327 Ca 0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1sx4 h LYS 327 Cb 0.00 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 31.42 1sx4 h LYS 327 CO 0.00 0.31 -0.75 -0.40 -2.27 0.00 0.00 179.45 176.34 1sx4 n ASP 328 N -4.48 0.25 -3.35 4.20 5.68 -1.26 -3.68 116.55 113.91 1sx4 n ASP 328 Ca 0.03 -2.03 -0.11 0.00 -0.50 0.00 0.00 54.79 52.19 1sx4 n ASP 328 Cb 0.08 -0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 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 -0.61 -0.57 0.22 2.12 2.01 -1.03 -2.82 115.64 114.96 1sx4 s THR 329 Ca 0.20 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1sx4 s THR 329 Cb 0.27 -0.88 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 1sx4 s THR 329 CO -0.10 -0.22 0.66 -0.89 -0.69 0.00 0.00 174.62 173.38 1sx4 s THR 330 N 2.51 4.71 -0.17 -0.82 2.01 0.75 -0.87 115.64 123.77 1sx4 s THR 330 Ca 0.11 0.99 -0.08 0.00 0.31 0.00 0.00 61.69 63.02 1sx4 s THR 330 Cb -0.14 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 68.69 1sx4 s THR 330 CO -0.22 0.10 0.38 0.28 -0.69 0.00 0.00 174.62 174.47 1sx4 s THR 331 N -1.65 -0.21 -0.23 -0.82 -1.32 0.04 -1.24 115.64 110.22 1sx4 s THR 331 Ca 0.45 0.13 -0.10 0.00 -1.21 0.00 0.00 61.69 60.96 1sx4 s THR 331 Cb -0.14 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.22 1sx4 s THR 331 CO 0.20 0.06 0.14 -0.63 -2.21 0.00 0.00 174.62 172.17 1sx4 s ILE 332 N 1.77 5.30 -0.27 5.08 1.01 -0.84 -1.05 121.20 132.19 1sx4 s ILE 332 Ca -0.07 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 1sx4 s ILE 332 Cb -0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1sx4 s ILE 332 CO -0.12 0.38 0.15 -0.63 0.00 0.00 0.00 174.94 174.71 1sx4 s ILE 333 N 0.85 4.89 -0.27 2.92 1.01 0.07 -4.06 121.20 126.61 1sx4 s ILE 333 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1sx4 s ILE 333 Cb -0.13 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1sx4 s ILE 333 CO 0.03 0.26 0.03 -0.67 0.00 0.00 0.00 174.94 174.59 1sx4 n ASP 334 N 5.01 -6.93 -4.87 3.58 2.03 -1.26 -2.92 116.55 111.18 1sx4 n ASP 334 Ca -0.15 1.35 -0.31 0.00 0.52 0.00 0.00 54.79 56.21 1sx4 n ASP 334 Cb 0.51 -5.02 -0.04 0.00 -0.72 0.00 0.00 41.12 35.86 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 -1.44 2.03 0.51 0.27 0.00 -1.26 -2.10 107.32 105.34 1sx4 s GLY 335 Ca -0.04 -0.22 0.32 0.00 0.00 0.00 0.00 44.72 44.79 1sx4 s GLY 335 CO 0.72 -0.04 1.95 -2.08 0.00 0.00 0.00 173.10 173.65 1sx4 h VAL 336 N 1.37 0.00 -1.78 1.40 2.07 -1.39 -3.46 116.25 114.46 1sx4 h VAL 336 Ca -0.47 -0.48 -0.68 0.00 0.82 0.00 0.00 66.70 65.89 1sx4 h VAL 336 Cb 1.18 1.45 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1sx4 h VAL 336 CO 0.65 0.00 0.82 0.61 0.02 0.00 0.00 177.57 179.67 1sx4 n GLY 337 N 0.05 0.93 3.77 2.17 0.00 -0.92 -4.85 105.19 106.34 1sx4 n GLY 337 Ca 0.01 0.82 -0.41 0.00 0.00 0.00 0.00 46.02 46.44 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 2.54 4.17 0.02 1.61 2.02 -1.26 -4.81 118.70 122.98 1sx4 s GLU 338 Ca 0.91 2.37 0.09 0.00 0.02 0.00 0.00 54.97 58.36 1sx4 s GLU 338 Cb -0.91 -2.97 0.40 0.00 0.10 0.00 0.00 34.13 30.76 1sx4 s GLU 338 CO 0.54 -0.40 1.29 0.39 0.02 0.00 0.00 175.26 177.10 1sx4 n GLU 339 N 0.52 0.01 0.19 1.61 1.02 -1.26 -1.13 120.64 121.59 1sx4 n GLU 339 Ca 0.01 0.37 -0.15 0.00 -0.02 0.00 0.00 57.16 57.38 1sx4 n GLU 339 Cb 0.41 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 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 2.27 -0.41 -0.05 0.62 0.00 -1.99 -0.05 119.26 119.65 1sx4 h ALA 340 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1sx4 h ALA 340 Cb 0.15 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 340 CO 0.00 -0.71 -0.82 0.00 0.00 0.00 0.00 179.25 177.72 1sx4 h ALA 341 N 0.24 0.49 0.70 0.00 0.00 -1.50 -2.79 119.26 116.40 1sx4 h ALA 341 Ca -0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1sx4 h ALA 341 Cb 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sx4 h ALA 341 CO 0.07 0.78 -0.34 0.82 0.00 0.00 0.00 179.25 180.58 1sx4 h ILE 342 N 0.27 0.31 -0.79 0.00 2.04 -1.31 -1.85 117.51 116.18 1sx4 h ILE 342 Ca -0.05 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1sx4 h ILE 342 Cb 1.42 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1sx4 h ILE 342 CO 0.14 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.20 1sx4 h GLN 343 N -0.95 0.71 0.55 2.37 5.75 -1.10 -1.86 115.11 120.58 1sx4 h GLN 343 Ca -0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1sx4 h GLN 343 Cb 0.73 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 29.12 1sx4 h GLN 343 CO 0.16 0.47 -0.27 0.78 -2.65 0.00 0.00 178.83 177.32 1sx4 h GLY 344 N 0.73 -0.78 1.50 2.39 0.00 -1.35 -0.86 103.07 104.70 1sx4 h GLY 344 Ca 0.36 0.29 0.07 0.00 0.00 0.00 0.00 47.33 48.05 1sx4 h GLY 344 CO -0.14 -0.28 0.18 -0.09 0.00 0.00 0.00 176.54 176.21 1sx4 h ARG 345 N -0.96 0.00 -0.15 4.80 9.65 -1.08 0.14 114.38 126.78 1sx4 h ARG 345 Ca -0.08 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.62 1sx4 h ARG 345 Cb 0.64 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1sx4 h ARG 345 CO 0.12 0.00 -0.66 0.28 2.80 0.00 0.00 179.97 182.51 1sx4 h VAL 346 N 0.00 1.33 0.00 0.20 2.07 -1.26 -2.68 116.25 115.91 1sx4 h VAL 346 Ca 0.12 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1sx4 h VAL 346 Cb 0.48 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1sx4 h VAL 346 CO -0.00 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.19 1sx4 n ALA 347 N -2.54 1.72 -0.09 1.67 0.00 0.43 -1.32 120.51 120.38 1sx4 n ALA 347 Ca -0.04 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1sx4 n ALA 347 Cb 0.67 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.22 -3.35 115.11 114.74 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 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1sx4 h GLN 348 CO 0.00 0.93 0.00 -0.89 -0.67 0.00 0.00 178.83 178.20 1sx4 n ILE 349 N -4.51 0.71 -0.11 2.54 5.41 -1.03 -1.93 119.36 120.45 1sx4 n ILE 349 Ca -0.23 0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 1sx4 n ILE 349 Cb 0.58 -0.90 -0.02 0.00 -0.71 0.00 0.00 39.64 38.59 1sx4 n ILE 349 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1sx4 h ARG 350 N 0.00 0.47 -0.01 0.38 9.65 -1.33 -3.21 114.38 120.34 1sx4 h ARG 350 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1sx4 h ARG 350 Cb 0.22 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1sx4 h ARG 350 CO 0.00 0.41 -0.32 1.04 2.80 0.00 0.00 179.97 183.90 1sx4 n GLN 351 N -4.77 0.83 -0.26 0.20 6.02 -0.81 -3.86 117.38 114.73 1sx4 n GLN 351 Ca -0.01 -0.53 -0.07 0.00 -0.01 0.00 0.00 57.00 56.38 1sx4 n GLN 351 Cb 0.09 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.91 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 1.30 1.11 -0.19 -1.09 1.08 -1.51 -2.62 115.11 113.19 1sx4 h GLN 352 Ca 0.00 -0.24 -0.17 0.00 -1.45 0.00 0.00 58.65 56.80 1sx4 h GLN 352 Cb 0.54 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1sx4 h GLN 352 CO 0.00 0.95 -0.57 0.82 -0.95 0.00 0.00 178.83 179.08 1sx4 h ILE 353 N 1.05 1.32 -0.87 2.54 2.04 -1.67 -0.64 117.51 121.28 1sx4 h ILE 353 Ca 0.23 -1.82 0.03 0.00 1.00 0.00 0.00 64.86 64.30 1sx4 h ILE 353 Cb 0.30 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1sx4 h ILE 353 CO -0.01 0.57 0.56 -0.33 0.00 0.00 0.00 178.15 178.94 1sx4 h GLU 354 N 0.45 1.08 -0.50 2.37 4.39 -1.63 -2.91 114.58 117.84 1sx4 h GLU 354 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1sx4 h GLU 354 Cb 1.13 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1sx4 h GLU 354 CO 0.11 0.72 0.00 0.39 -1.16 0.00 0.00 179.01 179.06 1sx4 n GLU 355 N -4.52 3.06 -2.18 2.33 1.02 -1.00 -4.87 120.64 114.48 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 0.07 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.43 2.16 -2.00 0.62 0.00 -0.25 -4.83 121.76 116.03 1sx4 s ALA 356 Ca 0.38 -1.21 0.14 0.00 0.00 0.00 0.00 51.96 51.27 1sx4 s ALA 356 Cb 0.23 -4.40 0.83 0.00 0.00 0.00 0.00 23.12 19.77 1sx4 s ALA 356 CO 0.21 -4.06 1.34 0.25 0.00 0.00 0.00 175.76 173.50 1sx4 n THR 357 N 7.25 0.00 -4.72 0.00 -2.24 -1.26 -4.80 114.28 108.51 1sx4 n THR 357 Ca 0.25 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.72 1sx4 n THR 357 Cb 0.50 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1sx4 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sx4 s SER 358 N -1.71 4.02 -0.21 3.42 0.15 -1.26 -5.09 113.70 113.03 1sx4 s SER 358 Ca 0.21 -1.59 0.02 0.00 0.70 0.00 0.00 55.95 55.28 1sx4 s SER 358 Cb 0.10 0.32 -0.20 0.00 -1.71 0.00 0.00 66.02 64.52 1sx4 s SER 358 CO 0.16 -0.77 -0.00 0.47 1.20 0.00 0.00 173.24 174.30 1sx4 n ASP 359 N -1.20 1.78 0.07 5.45 8.00 -1.26 -4.32 116.55 125.07 1sx4 n ASP 359 Ca -0.16 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.23 1sx4 n ASP 359 Cb 0.67 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.48 0.00 1.24 3.20 -1.98 -3.20 116.97 116.73 1sx4 h TYR 360 Ca -0.52 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.10 1sx4 h TYR 360 Cb 1.97 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 40.18 1sx4 h TYR 360 CO 0.04 1.04 0.00 -0.25 -1.64 0.00 0.00 178.16 177.35 1sx4 n ASP 361 N -3.75 0.00 -0.09 -2.11 9.92 -1.26 -3.27 116.55 115.98 1sx4 n ASP 361 Ca -0.05 -0.49 -0.14 0.00 -0.53 0.00 0.00 54.79 53.59 1sx4 n ASP 361 Cb 0.78 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.18 1sx4 n ASP 361 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1sx4 n ARG 362 N -1.00 0.46 0.23 -1.24 0.63 -1.21 -4.39 116.66 110.15 1sx4 n ARG 362 Ca 0.11 0.12 -0.16 0.00 -0.92 0.00 0.00 57.85 57.00 1sx4 n ARG 362 Cb 0.05 -1.35 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 1sx4 n ARG 362 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sx4 h GLU 363 N -0.10 -0.77 -0.79 -0.14 4.39 -1.55 -2.61 114.58 113.01 1sx4 h GLU 363 Ca -0.43 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.39 1sx4 h GLU 363 Cb 1.62 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 30.38 1sx4 h GLU 363 CO -0.10 -0.51 0.48 0.87 -1.16 0.00 0.00 179.01 178.59 1sx4 h LYS 364 N -0.80 0.85 -0.33 2.33 1.79 -1.83 -1.50 116.57 117.08 1sx4 h LYS 364 Ca -0.03 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1sx4 h LYS 364 Cb 0.72 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1sx4 h LYS 364 CO -0.08 0.56 0.16 -0.07 -1.08 0.00 0.00 179.45 178.94 1sx4 h LEU 365 N 0.88 0.43 -1.29 2.94 3.38 -1.75 -1.18 115.31 118.71 1sx4 h LEU 365 Ca 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1sx4 h LEU 365 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sx4 h LEU 365 CO -0.17 0.43 0.11 1.56 0.09 0.00 0.00 178.44 180.47 1sx4 h GLN 366 N 0.39 0.60 0.78 1.13 4.20 -1.14 0.16 115.11 121.23 1sx4 h GLN 366 Ca 0.11 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1sx4 h GLN 366 Cb 0.12 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1sx4 h GLN 366 CO -0.01 0.54 -0.42 0.93 -0.67 0.00 0.00 178.83 179.19 1sx4 h GLU 367 N 0.59 -1.07 -0.74 1.46 5.08 -0.96 -2.78 114.58 116.16 1sx4 h GLU 367 Ca 0.14 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1sx4 h GLU 367 Cb 0.20 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1sx4 h GLU 367 CO -0.01 -0.72 0.38 0.00 -1.00 0.00 0.00 179.01 177.67 1sx4 h ARG 368 N -1.11 0.63 -0.97 2.33 3.08 -0.86 0.31 114.38 117.77 1sx4 h ARG 368 Ca -0.10 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.06 1sx4 h ARG 368 Cb 0.88 -0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.70 1sx4 h ARG 368 CO 0.14 0.42 0.61 -0.39 -1.07 0.00 0.00 179.97 179.68 1sx4 h VAL 369 N 0.65 0.83 -0.08 2.04 -1.51 -0.94 -1.34 116.25 115.90 1sx4 h VAL 369 Ca 0.36 -0.29 -0.22 0.00 -1.23 0.00 0.00 66.70 65.32 1sx4 h VAL 369 Cb 0.37 -0.08 0.01 0.00 -2.13 0.00 0.00 31.29 29.46 1sx4 h VAL 369 CO -0.26 0.15 -0.85 0.00 -1.23 0.00 0.00 177.57 175.38 1sx4 h ALA 370 N 1.58 0.35 0.00 5.19 0.00 -0.69 0.51 119.26 126.20 1sx4 h ALA 370 Ca 0.51 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1sx4 h ALA 370 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sx4 h ALA 370 CO -0.28 0.72 -0.11 0.87 0.00 0.00 0.00 179.25 180.46 1sx4 h LYS 371 N 0.40 0.00 0.00 0.00 1.57 -0.61 -2.92 116.57 115.01 1sx4 h LYS 371 Ca -0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.35 1sx4 h LYS 371 Cb 1.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.72 1sx4 h LYS 371 CO 0.16 0.11 -2.35 1.28 -0.57 0.00 0.00 179.45 178.08 1sx4 n LEU 372 N -3.40 0.46 0.00 2.94 4.77 -0.57 -3.68 117.00 117.52 1sx4 n LEU 372 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sx4 n LEU 372 Cb 0.28 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1sx4 n LEU 372 CO 0.29 0.55 0.00 0.00 -1.33 0.00 0.00 177.39 176.90 1sx4 n ALA 373 N -2.80 0.05 -1.30 -1.18 0.00 0.18 -5.03 120.51 110.43 1sx4 n ALA 373 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1sx4 n ALA 373 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 2.94 0.75 3.34 0.00 0.00 -1.11 -4.96 105.19 106.17 1sx4 n GLY 374 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.80 -0.14 -0.02 0.00 -1.15 -4.19 107.32 103.62 1sx4 s GLY 375 Ca 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 1sx4 s GLY 375 CO 0.00 -1.64 -0.05 0.14 0.00 0.00 0.00 173.10 171.55 1sx4 s VAL 376 N -3.66 3.77 0.02 1.40 1.01 -1.23 -3.50 120.40 118.21 1sx4 s VAL 376 Ca 0.37 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1sx4 s VAL 376 Cb 0.08 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1sx4 s VAL 376 CO 0.14 0.51 -0.25 0.00 0.00 0.00 0.00 175.10 175.50 1sx4 s ALA 377 N 0.19 2.11 -0.09 5.51 0.00 -0.58 -1.38 121.76 127.52 1sx4 s ALA 377 Ca -0.03 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1sx4 s ALA 377 Cb -0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1sx4 s ALA 377 CO 0.03 0.50 -0.22 0.08 0.00 0.00 0.00 175.76 176.16 1sx4 s VAL 378 N -0.72 2.31 -0.15 0.00 1.01 0.01 -2.00 120.40 120.86 1sx4 s VAL 378 Ca 0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1sx4 s VAL 378 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1sx4 s VAL 378 CO 0.01 0.56 0.06 -0.63 0.00 0.00 0.00 175.10 175.10 1sx4 s ILE 379 N 0.12 4.78 -0.25 2.22 1.01 0.14 -0.93 121.20 128.29 1sx4 s ILE 379 Ca -0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1sx4 s ILE 379 Cb -0.16 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1sx4 s ILE 379 CO 0.06 0.52 0.02 -0.54 0.00 0.00 0.00 174.94 175.00 1sx4 s LYS 380 N -0.13 3.33 0.13 2.79 1.02 0.77 -1.47 119.74 126.17 1sx4 s LYS 380 Ca 0.07 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1sx4 s LYS 380 Cb -0.12 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 1sx4 s LYS 380 CO 0.01 -0.28 0.95 0.08 -0.92 0.00 0.00 175.35 175.20 1sx4 s VAL 381 N 1.51 4.43 -0.00 3.17 1.01 -1.13 -0.41 120.40 128.99 1sx4 s VAL 381 Ca 0.05 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1sx4 s VAL 381 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1sx4 s VAL 381 CO 0.00 0.35 0.13 -0.83 0.00 0.00 0.00 175.10 174.74 1sx4 s GLY 382 N -0.20 2.09 -0.06 4.51 0.00 -1.26 -0.93 107.32 111.47 1sx4 s GLY 382 Ca 0.46 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 1sx4 s GLY 382 CO 0.30 -0.72 0.73 0.00 0.00 0.00 0.00 173.10 173.40 1sx4 s ALA 383 N -1.26 -1.79 0.12 3.20 0.00 -1.19 -4.81 121.76 116.01 1sx4 s ALA 383 Ca 0.25 1.32 -0.13 0.00 0.00 0.00 0.00 51.96 53.41 1sx4 s ALA 383 Cb -0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1sx4 s ALA 383 CO 0.17 -0.38 1.42 0.00 0.00 0.00 0.00 175.76 176.96 1sx4 h ALA 384 N 2.89 0.46 -4.79 0.00 0.00 -1.87 -3.42 119.26 112.52 1sx4 h ALA 384 Ca -0.26 -0.46 -0.47 0.00 0.00 0.00 0.00 54.91 53.72 1sx4 h ALA 384 Cb 1.15 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1sx4 h ALA 384 CO 0.38 0.57 -0.34 0.25 0.00 0.00 0.00 179.25 180.12 1sx4 n THR 385 N -4.13 0.00 -0.03 0.00 -2.24 -1.26 -5.06 114.28 101.56 1sx4 n THR 385 Ca -0.04 -1.71 -0.16 0.00 -2.27 0.00 0.00 64.05 59.87 1sx4 n THR 385 Cb 0.55 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 1sx4 n THR 385 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sx4 n GLU 386 N -0.93 0.70 0.09 -0.78 2.13 -1.26 -2.73 120.64 117.87 1sx4 n GLU 386 Ca -0.14 0.23 0.18 0.00 0.66 0.00 0.00 57.16 58.09 1sx4 n GLU 386 Cb 0.46 -1.69 0.73 0.00 0.27 0.00 0.00 31.44 31.21 1sx4 n GLU 386 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1sx4 h VAL 387 N 0.03 0.63 0.08 6.31 -1.51 -1.98 -2.54 116.25 117.27 1sx4 h VAL 387 Ca -0.42 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 64.80 1sx4 h VAL 387 Cb 2.03 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1sx4 h VAL 387 CO 0.06 0.00 -1.35 -0.08 -1.23 0.00 0.00 177.57 174.96 1sx4 h GLU 388 N 0.00 0.18 -0.08 5.19 4.81 -1.98 -3.32 114.58 119.39 1sx4 h GLU 388 Ca 0.17 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1sx4 h GLU 388 Cb 0.79 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1sx4 h GLU 388 CO -0.00 1.15 -0.16 1.98 -0.73 0.00 0.00 179.01 181.25 1sx4 h MET 389 N -0.45 -0.22 0.00 1.92 4.05 -1.30 -0.20 114.93 118.73 1sx4 h MET 389 Ca -0.31 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.15 1sx4 h MET 389 Cb 1.65 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 32.44 1sx4 h MET 389 CO 0.00 -0.14 -0.53 0.87 0.23 0.00 0.00 176.91 177.34 1sx4 h LYS 390 N -0.22 -0.65 0.32 0.39 1.57 -1.63 0.37 116.57 116.73 1sx4 h LYS 390 Ca 0.08 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1sx4 h LYS 390 Cb 0.33 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sx4 h LYS 390 CO -0.21 -0.43 -0.19 1.49 -0.57 0.00 0.00 179.45 179.54 1sx4 h GLU 391 N -0.67 -0.47 -0.54 3.15 4.57 -1.63 -2.41 114.58 116.58 1sx4 h GLU 391 Ca 0.01 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 1sx4 h GLU 391 Cb 0.72 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.33 1sx4 h GLU 391 CO -0.36 -0.31 0.04 -0.22 -1.18 0.00 0.00 179.01 176.98 1sx4 h LYS 392 N -0.48 0.15 -0.26 1.92 1.63 -0.86 -1.80 116.57 116.87 1sx4 h LYS 392 Ca -0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1sx4 h LYS 392 Cb 0.39 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1sx4 h LYS 392 CO 0.05 0.10 0.17 -0.22 -3.45 0.00 0.00 179.45 176.09 1sx4 h LYS 393 N 0.16 0.34 -0.65 1.90 3.64 -0.21 -1.65 116.57 120.10 1sx4 h LYS 393 Ca 0.28 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1sx4 h LYS 393 Cb 0.42 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1sx4 h LYS 393 CO -0.43 0.24 0.32 0.00 -2.27 0.00 0.00 179.45 177.31 1sx4 h ALA 394 N 1.09 0.88 -0.01 5.00 0.00 -1.21 0.21 119.26 125.22 1sx4 h ALA 394 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 394 Cb -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sx4 h ALA 394 CO -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1sx4 h ARG 395 N 0.57 0.01 -0.59 0.00 3.08 -0.47 0.14 114.38 117.12 1sx4 h ARG 395 Ca 0.31 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.47 1sx4 h ARG 395 Cb 0.30 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 1sx4 h ARG 395 CO -0.24 0.22 0.13 0.28 -1.07 0.00 0.00 179.97 179.29 1sx4 h VAL 396 N -0.21 0.65 -0.27 2.04 2.07 -0.69 0.24 116.25 120.08 1sx4 h VAL 396 Ca 0.00 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1sx4 h VAL 396 Cb 0.22 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1sx4 h VAL 396 CO -0.00 0.05 -0.12 -0.33 0.02 0.00 0.00 177.57 177.19 1sx4 h GLU 397 N 0.26 -0.07 -0.82 1.57 4.39 -0.43 0.30 114.58 119.79 1sx4 h GLU 397 Ca 0.31 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.16 1sx4 h GLU 397 Cb 0.45 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1sx4 h GLU 397 CO -0.39 -0.05 0.39 0.22 -1.16 0.00 0.00 179.01 178.02 1sx4 h ASP 398 N -0.08 0.43 0.41 1.42 3.58 0.65 -2.55 116.42 120.28 1sx4 h ASP 398 Ca 0.14 0.10 -0.31 0.00 0.42 0.00 0.00 57.03 57.38 1sx4 h ASP 398 Cb 0.29 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1sx4 h ASP 398 CO -0.33 0.17 -1.54 0.00 -2.88 0.00 0.00 179.24 174.67 1sx4 h ALA 399 N 1.56 0.19 -0.79 -0.78 0.00 0.12 -2.64 119.26 116.91 1sx4 h ALA 399 Ca 0.45 -1.07 0.19 0.00 0.00 0.00 0.00 54.91 54.47 1sx4 h ALA 399 Cb 0.66 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1sx4 h ALA 399 CO -0.38 1.06 0.01 1.25 0.00 0.00 0.00 179.25 181.19 1sx4 h LEU 400 N 0.08 -0.36 -0.13 0.00 7.12 -0.30 -0.99 115.31 120.73 1sx4 h LEU 400 Ca -0.25 0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 1sx4 h LEU 400 Cb 2.04 0.36 -0.01 0.00 -0.53 0.00 0.00 40.66 42.53 1sx4 h LEU 400 CO 0.18 -0.20 0.07 0.45 -0.13 0.00 0.00 178.44 178.81 1sx4 h HIS 401 N 0.10 0.19 -0.14 1.25 3.86 -1.37 -2.83 115.15 116.20 1sx4 h HIS 401 Ca 0.44 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1sx4 h HIS 401 Cb 0.79 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1sx4 h HIS 401 CO -0.43 0.20 0.08 0.00 0.86 0.00 0.00 177.93 178.64 1sx4 h ALA 402 N 0.97 0.18 -0.25 2.45 0.00 -0.85 -1.94 119.26 119.82 1sx4 h ALA 402 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1sx4 h ALA 402 Cb 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1sx4 h ALA 402 CO -0.01 -0.30 -0.28 1.79 0.00 0.00 0.00 179.25 180.46 1sx4 h THR 403 N 0.13 0.33 -0.25 0.00 1.35 -1.33 0.56 112.91 113.71 1sx4 h THR 403 Ca 0.05 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.98 1sx4 h THR 403 Cb 0.06 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 1sx4 h THR 403 CO -0.01 0.00 0.47 0.03 -0.25 0.00 0.00 175.52 175.77 1sx4 h ARG 404 N -0.29 0.00 0.13 4.72 2.47 -1.18 0.44 114.38 120.68 1sx4 h ARG 404 Ca 0.13 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.49 1sx4 h ARG 404 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1sx4 h ARG 404 CO -0.41 0.00 -1.97 0.00 0.56 0.00 0.00 179.97 178.15 1sx4 h ALA 405 N 1.28 0.43 -0.63 0.04 0.00 0.31 -3.14 119.26 117.54 1sx4 h ALA 405 Ca 0.12 -1.38 0.08 0.00 0.00 0.00 0.00 54.91 53.73 1sx4 h ALA 405 Cb 1.06 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.47 1sx4 h ALA 405 CO -0.00 1.30 0.28 0.00 0.00 0.00 0.00 179.25 180.83 1sx4 h ALA 406 N 0.11 0.83 -0.38 0.00 0.00 0.20 -0.65 119.26 119.37 1sx4 h ALA 406 Ca -0.41 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1sx4 h ALA 406 Cb 2.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1sx4 h ALA 406 CO 0.10 -0.12 -0.21 0.28 0.00 0.00 0.00 179.25 179.30 1sx4 h VAL 407 N 0.50 1.27 0.00 0.00 2.07 -1.18 0.36 116.25 119.27 1sx4 h VAL 407 Ca 0.31 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1sx4 h VAL 407 Cb 0.33 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1sx4 h VAL 407 CO -0.26 0.43 -0.81 1.05 0.02 0.00 0.00 177.57 178.00 1sx4 h GLU 408 N 0.65 0.00 0.00 1.57 4.11 -1.45 -3.43 114.58 116.03 1sx4 h GLU 408 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1sx4 h GLU 408 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sx4 h GLU 408 CO 0.05 0.14 -0.04 -1.91 0.07 0.00 0.00 179.01 177.33 1sx4 n GLU 409 N -2.90 3.68 0.00 1.06 2.13 -0.27 -5.09 120.64 119.25 1sx4 n GLU 409 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1sx4 n GLU 409 Cb 0.64 -0.30 0.00 0.00 0.27 0.00 0.00 31.44 32.05 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 0.59 -1.57 3.14 8.31 0.00 0.12 -4.45 105.19 111.34 1sx4 n GLY 410 Ca 0.00 -2.06 -0.09 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 0.00 0.27 0.24 1.61 -7.23 -0.66 0.65 120.40 115.27 1sx4 s VAL 411 Ca 0.00 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 1sx4 s VAL 411 Cb 0.00 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 1sx4 s VAL 411 CO 0.00 -0.69 0.46 0.68 -0.31 0.00 0.00 175.10 175.23 1sx4 s VAL 412 N -3.92 0.01 -0.04 1.32 -7.23 -0.87 -2.52 120.40 107.14 1sx4 s VAL 412 Ca 0.17 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1sx4 s VAL 412 Cb 0.07 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1sx4 s VAL 412 CO -0.03 -0.03 1.17 0.00 -0.31 0.00 0.00 175.10 175.90 1sx4 s ALA 413 N -4.01 3.45 1.00 1.32 0.00 -1.26 -2.09 121.76 120.16 1sx4 s ALA 413 Ca 0.22 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1sx4 s ALA 413 Cb -0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1sx4 s ALA 413 CO 0.08 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1sx4 n GLY 414 N 3.29 -1.62 2.17 0.00 0.00 -0.71 -1.14 105.19 107.17 1sx4 n GLY 414 Ca 0.10 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 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 4.00 0.78 2.43 -0.02 0.00 -1.26 -0.79 105.19 110.32 1sx4 n GLY 415 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.16 1.49 0.10 -0.02 0.00 -1.26 -4.26 105.19 99.08 1sx4 n GLY 416 Ca -0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 1.29 -0.22 1.61 3.04 -1.00 -2.85 116.25 118.11 1sx4 h VAL 417 Ca -0.29 -0.93 0.05 0.00 -1.01 0.00 0.00 66.70 64.51 1sx4 h VAL 417 Cb 0.95 1.70 -0.07 0.00 -2.01 0.00 0.00 31.29 31.86 1sx4 h VAL 417 CO 0.43 0.26 -0.48 0.00 -1.01 0.00 0.00 177.57 176.77 1sx4 h ALA 418 N 0.69 -0.68 -0.80 3.17 0.00 -1.37 0.21 119.26 120.48 1sx4 h ALA 418 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 418 Cb 0.42 0.92 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1sx4 h ALA 418 CO 0.01 -0.98 0.40 -0.07 0.00 0.00 0.00 179.25 178.61 1sx4 h LEU 419 N -0.48 0.50 -1.76 0.00 4.07 -1.84 0.21 115.31 116.01 1sx4 h LEU 419 Ca 0.07 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1sx4 h LEU 419 Cb 0.64 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1sx4 h LEU 419 CO -0.47 0.24 -0.08 -0.29 -1.08 0.00 0.00 178.44 176.76 1sx4 h ILE 420 N 0.62 0.28 0.01 1.22 2.10 -0.68 -1.51 117.51 119.55 1sx4 h ILE 420 Ca 0.42 -0.56 -0.00 0.00 1.08 0.00 0.00 64.86 65.80 1sx4 h ILE 420 Cb 0.53 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1sx4 h ILE 420 CO -0.33 0.08 -0.00 0.03 -1.08 0.00 0.00 178.15 176.85 1sx4 h ARG 421 N 0.00 -0.01 0.00 2.19 2.47 0.22 -3.20 114.38 116.05 1sx4 h ARG 421 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1sx4 h ARG 421 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1sx4 h ARG 421 CO 0.01 0.78 -0.04 -0.39 0.56 0.00 0.00 179.97 180.89 1sx4 h VAL 422 N -0.97 0.44 -0.62 2.04 -1.51 -0.55 0.50 116.25 115.59 1sx4 h VAL 422 Ca -0.00 -0.18 0.03 0.00 -1.23 0.00 0.00 66.70 65.32 1sx4 h VAL 422 Cb 0.79 1.12 -0.03 0.00 -2.13 0.00 0.00 31.29 31.04 1sx4 h VAL 422 CO 0.00 0.04 0.41 0.00 -1.23 0.00 0.00 177.57 176.79 1sx4 h ALA 423 N 1.96 1.66 0.00 5.19 0.00 -1.35 -2.10 119.26 124.63 1sx4 h ALA 423 Ca -0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1sx4 h ALA 423 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1sx4 h ALA 423 CO 0.00 0.27 -1.01 0.66 0.00 0.00 0.00 179.25 179.17 1sx4 h SER 424 N 0.73 0.00 -0.51 0.00 4.64 -0.01 -2.85 113.55 115.56 1sx4 h SER 424 Ca 0.25 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.62 1sx4 h SER 424 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1sx4 h SER 424 CO -0.07 0.86 0.34 0.11 -0.87 0.00 0.00 176.83 177.20 1sx4 h LYS 425 N 0.00 0.47 -0.58 4.77 1.57 -1.09 -2.62 116.57 119.09 1sx4 h LYS 425 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sx4 h LYS 425 Cb 1.71 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1sx4 h LYS 425 CO 0.10 0.31 0.00 1.28 -0.57 0.00 0.00 179.45 180.57 1sx4 n LEU 426 N -4.47 3.26 0.26 2.94 4.77 -0.81 -4.31 117.00 118.63 1sx4 n LEU 426 Ca 0.07 -1.64 0.17 0.00 -0.03 0.00 0.00 56.01 54.58 1sx4 n LEU 426 Cb 0.22 -0.43 0.83 0.00 -2.33 0.00 0.00 43.42 41.71 1sx4 n LEU 426 CO 0.34 0.67 1.15 0.00 -1.33 0.00 0.00 177.39 178.22 1sx4 h ALA 427 N 3.85 1.55 -0.02 -1.18 0.00 -1.36 0.27 119.26 122.37 1sx4 h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 427 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 427 CO 0.09 -0.39 -0.16 -0.25 0.00 0.00 0.00 179.25 178.55 1sx4 n ASP 428 N -3.19 2.31 -4.73 0.00 8.00 -1.26 -5.00 116.55 112.68 1sx4 n ASP 428 Ca 0.01 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 1sx4 n ASP 428 Cb 0.41 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sx4 n LEU 429 N 0.64 4.14 -4.21 0.64 7.94 0.08 -5.03 117.00 121.21 1sx4 n LEU 429 Ca 0.10 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 56.02 1sx4 n LEU 429 Cb 0.46 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.74 1sx4 n LEU 429 CO 0.17 0.04 -0.36 -0.13 -1.11 0.00 0.00 177.39 176.00 1sx4 s ARG 430 N -0.46 0.98 0.00 1.96 1.81 -1.26 -4.99 118.95 116.99 1sx4 s ARG 430 Ca 0.65 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1sx4 s ARG 430 Cb -0.52 -0.26 0.00 0.00 -0.45 0.00 0.00 34.95 33.72 1sx4 s ARG 430 CO 0.48 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 1sx4 n GLY 431 N -0.15 4.79 0.00 -3.53 0.00 -1.26 -5.02 105.19 100.02 1sx4 n GLY 431 Ca -0.09 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.15 0.00 -3.57 1.61 6.02 -1.26 -4.88 117.38 115.15 1sx4 n GLN 432 Ca 0.00 0.26 -0.06 0.00 -0.01 0.00 0.00 57.00 57.19 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 -3.00 -0.27 0.19 1.08 4.22 -1.26 -5.05 114.94 110.85 1sx4 s ASN 433 Ca 0.07 -0.08 -0.12 0.00 -2.14 0.00 0.00 52.86 50.58 1sx4 s ASN 433 Cb 0.09 0.34 0.13 0.00 1.28 0.00 0.00 41.25 43.10 1sx4 s ASN 433 CO 0.25 -0.58 1.82 -0.08 -2.04 0.00 0.00 177.10 176.48 1sx4 h GLU 434 N 2.00 0.65 -0.29 3.55 4.57 -2.00 -0.39 114.58 122.67 1sx4 h GLU 434 Ca -0.21 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1sx4 h GLU 434 Cb 1.22 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 1sx4 h GLU 434 CO 0.28 0.43 -0.43 -0.44 -1.18 0.00 0.00 179.01 177.68 1sx4 h ASP 435 N 0.67 -1.39 -0.75 1.04 3.32 -1.96 0.11 116.42 117.46 1sx4 h ASP 435 Ca 0.23 0.20 0.22 0.00 0.02 0.00 0.00 57.03 57.70 1sx4 h ASP 435 Cb 0.04 0.59 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1sx4 h ASP 435 CO -0.11 -0.39 0.59 1.56 -1.72 0.00 0.00 179.24 179.17 1sx4 h GLN 436 N -0.40 0.00 -0.20 3.56 4.20 -1.23 0.52 115.11 121.56 1sx4 h GLN 436 Ca 0.11 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.63 1sx4 h GLN 436 Cb 0.60 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1sx4 h GLN 436 CO -0.50 0.00 -0.63 -0.91 -0.67 0.00 0.00 178.83 176.12 1sx4 h ASN 437 N 0.00 0.89 -0.21 1.46 2.35 -0.49 0.33 115.58 119.91 1sx4 h ASN 437 Ca 0.35 -0.59 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1sx4 h ASN 437 Cb 1.53 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 1sx4 h ASN 437 CO -0.00 1.33 -0.03 0.58 -1.65 0.00 0.00 177.43 177.66 1sx4 h VAL 438 N 0.51 1.20 -0.58 2.81 2.07 0.16 -1.04 116.25 121.38 1sx4 h VAL 438 Ca -0.02 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1sx4 h VAL 438 Cb 1.25 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1sx4 h VAL 438 CO 0.13 0.28 0.10 1.23 0.02 0.00 0.00 177.57 179.34 1sx4 h GLY 439 N 0.85 0.99 0.73 2.17 0.00 0.01 0.95 103.07 108.77 1sx4 h GLY 439 Ca 0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1sx4 h GLY 439 CO 0.01 0.58 -0.10 -2.22 0.00 0.00 0.00 176.54 174.81 1sx4 h ILE 440 N 0.88 1.33 -0.33 2.60 2.04 0.26 -2.90 117.51 121.38 1sx4 h ILE 440 Ca 0.18 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1sx4 h ILE 440 Cb 0.37 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1sx4 h ILE 440 CO 0.01 0.35 0.03 0.11 0.00 0.00 0.00 178.15 178.64 1sx4 h LYS 441 N -0.05 0.50 -0.14 2.37 6.56 -0.46 -1.40 116.57 123.95 1sx4 h LYS 441 Ca 0.03 -0.10 0.05 0.00 -1.06 0.00 0.00 60.65 59.57 1sx4 h LYS 441 Cb 0.59 -0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 1sx4 h LYS 441 CO 0.03 0.51 -0.35 0.28 -2.06 0.00 0.00 179.45 177.85 1sx4 h VAL 442 N 0.49 0.24 -0.58 0.50 2.07 0.96 -2.25 116.25 117.68 1sx4 h VAL 442 Ca 0.11 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1sx4 h VAL 442 Cb 0.28 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1sx4 h VAL 442 CO 0.01 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.67 1sx4 h ALA 443 N 0.34 0.77 -0.51 1.67 0.00 -1.17 -2.66 119.26 117.71 1sx4 h ALA 443 Ca 0.09 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 443 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1sx4 h ALA 443 CO -0.38 0.54 0.34 -0.07 0.00 0.00 0.00 179.25 179.69 1sx4 h LEU 444 N 0.87 0.44 -0.15 0.00 3.38 -1.10 0.06 115.31 118.82 1sx4 h LEU 444 Ca 0.17 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1sx4 h LEU 444 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sx4 h LEU 444 CO 0.02 0.30 -0.25 -0.09 0.09 0.00 0.00 178.44 178.51 1sx4 h ARG 445 N 0.51 0.44 -0.41 1.13 2.43 -1.08 -2.16 114.38 115.24 1sx4 h ARG 445 Ca 0.21 -0.27 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1sx4 h ARG 445 Cb 0.20 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1sx4 h ARG 445 CO -0.06 0.86 0.29 0.00 -1.51 0.00 0.00 179.97 179.55 1sx4 h ALA 446 N 0.57 2.22 0.00 2.80 0.00 -0.94 -2.02 119.26 121.89 1sx4 h ALA 446 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 446 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sx4 h ALA 446 CO 0.06 -0.33 0.18 -1.33 0.00 0.00 0.00 179.25 177.82 1sx4 n MET 447 N -4.45 0.10 0.00 0.00 2.81 -0.10 0.86 117.12 116.34 1sx4 n MET 447 Ca 0.06 0.58 0.14 0.00 -1.81 0.00 0.00 57.70 56.67 1sx4 n MET 447 Cb 0.40 -2.01 0.52 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.08 0.89 0.07 0.03 1.02 -0.76 -3.99 120.64 115.82 1sx4 n GLU 448 Ca -0.01 -0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 56.57 1sx4 n GLU 448 Cb 0.20 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.04 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 3.75 -0.21 -0.96 0.62 0.00 0.29 -0.45 119.26 122.31 1sx4 h ALA 449 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 449 Cb 0.42 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1sx4 h ALA 449 CO 0.00 -0.42 0.62 -1.35 0.00 0.00 0.00 179.25 178.09 1sx4 h PRO 450 N -0.60 1.01 -0.49 0.00 0.11 -1.80 1.08 132.00 131.31 1sx4 h PRO 450 Ca -0.02 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.90 1sx4 h PRO 450 Cb 0.45 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1sx4 h PRO 450 CO 0.03 0.67 -0.19 1.25 -0.21 0.00 0.00 178.00 179.56 1sx4 h LEU 451 N 1.04 1.01 -1.36 2.35 6.46 -1.70 -1.35 115.31 121.76 1sx4 h LEU 451 Ca 0.43 -0.38 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1sx4 h LEU 451 Cb 0.31 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1sx4 h LEU 451 CO -0.19 1.17 -0.17 0.03 -0.62 0.00 0.00 178.44 178.66 1sx4 h ARG 452 N 0.85 0.00 0.08 1.25 3.08 0.28 -1.50 114.38 118.42 1sx4 h ARG 452 Ca 0.12 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 1sx4 h ARG 452 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1sx4 h ARG 452 CO 0.06 0.17 -1.19 1.96 -1.07 0.00 0.00 179.97 179.90 1sx4 h GLN 453 N 0.00 0.16 -0.76 0.04 1.08 -0.71 -2.86 115.11 112.07 1sx4 h GLN 453 Ca -0.00 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.87 1sx4 h GLN 453 Cb 0.62 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 1sx4 h GLN 453 CO 0.02 1.11 0.28 0.82 -0.95 0.00 0.00 178.83 180.12 1sx4 h ILE 454 N 0.04 1.26 -0.02 2.54 2.04 -0.43 0.56 117.51 123.49 1sx4 h ILE 454 Ca -0.10 -0.83 -0.19 0.00 1.00 0.00 0.00 64.86 64.74 1sx4 h ILE 454 Cb 1.90 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1sx4 h ILE 454 CO 0.17 0.33 -0.82 0.58 0.00 0.00 0.00 178.15 178.41 1sx4 h VAL 455 N 1.11 1.43 -0.05 1.67 2.07 -1.34 -3.16 116.25 117.98 1sx4 h VAL 455 Ca 0.25 -2.39 -0.16 0.00 0.82 0.00 0.00 66.70 65.22 1sx4 h VAL 455 Cb 0.23 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1sx4 h VAL 455 CO -0.02 0.71 -0.66 0.25 0.02 0.00 0.00 177.57 177.87 1sx4 h LEU 456 N 0.18 0.26 -1.94 2.57 5.85 -0.83 -1.94 115.31 119.46 1sx4 h LEU 456 Ca -0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1sx4 h LEU 456 Cb 1.42 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1sx4 h LEU 456 CO 0.13 0.85 0.00 0.78 -0.34 0.00 0.00 178.44 179.86 1sx4 h ASN 457 N 0.16 0.00 -0.00 1.25 -0.26 -0.94 -0.72 115.58 115.07 1sx4 h ASN 457 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1sx4 h ASN 457 Cb 1.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1sx4 h ASN 457 CO 0.10 0.00 -0.04 0.00 -1.06 0.00 0.00 177.43 176.43 1sx4 n GLY 459 N 1.26 0.99 3.19 0.00 0.00 -0.28 -5.01 105.19 105.34 1sx4 n GLY 459 Ca 0.16 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.67 0.82 -2.86 1.61 1.02 -1.17 -5.05 120.64 112.34 1sx4 n GLU 460 Ca -0.08 -2.91 -0.43 0.00 -0.02 0.00 0.00 57.16 53.72 1sx4 n GLU 460 Cb 0.28 0.36 -0.04 0.00 -0.02 0.00 0.00 31.44 32.01 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 -3.86 3.37 0.39 3.49 2.02 -1.26 -4.14 118.70 118.70 1sx4 s GLU 461 Ca 0.24 -0.18 0.15 0.00 0.02 0.00 0.00 54.97 55.20 1sx4 s GLU 461 Cb -0.02 -4.01 1.01 0.00 0.10 0.00 0.00 34.13 31.20 1sx4 s GLU 461 CO 0.15 -1.37 1.82 -1.35 0.02 0.00 0.00 175.26 174.53 1sx4 h PRO 462 N 9.21 0.48 0.00 0.39 0.11 -1.87 -1.40 132.00 138.91 1sx4 h PRO 462 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1sx4 h PRO 462 Cb 1.08 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1sx4 h PRO 462 CO 1.05 0.32 -0.48 -1.13 -0.21 0.00 0.00 178.00 177.55 1sx4 n SER 463 N -4.59 0.49 -0.09 -2.05 3.41 -1.26 -0.33 113.62 109.19 1sx4 n SER 463 Ca 0.22 -0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.56 1sx4 n SER 463 Cb 0.71 0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.72 1sx4 n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sx4 h VAL 464 N 0.00 0.86 0.05 -3.33 2.07 -1.70 -2.79 116.25 111.40 1sx4 h VAL 464 Ca 0.00 -1.99 0.03 0.00 0.82 0.00 0.00 66.70 65.55 1sx4 h VAL 464 Cb 0.55 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 1sx4 h VAL 464 CO 0.00 0.29 -0.27 0.58 0.02 0.00 0.00 177.57 178.20 1sx4 h VAL 465 N -1.00 0.41 -0.55 2.57 2.07 -1.39 -2.02 116.25 116.34 1sx4 h VAL 465 Ca -0.25 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1sx4 h VAL 465 Cb 1.11 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 1sx4 h VAL 465 CO -0.15 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.26 1sx4 h ALA 466 N 0.34 0.27 -0.67 1.67 0.00 -0.85 -0.89 119.26 119.14 1sx4 h ALA 466 Ca 0.05 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1sx4 h ALA 466 Cb 0.50 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1sx4 h ALA 466 CO -0.20 -0.49 0.25 -0.91 0.00 0.00 0.00 179.25 177.90 1sx4 h ASN 467 N -0.05 0.23 0.95 0.00 4.21 -1.18 0.75 115.58 120.49 1sx4 h ASN 467 Ca 0.26 0.09 -0.15 0.00 1.21 0.00 0.00 56.30 57.71 1sx4 h ASN 467 Cb 0.45 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1sx4 h ASN 467 CO -0.60 0.12 -0.71 0.71 -1.29 0.00 0.00 177.43 175.67 1sx4 h THR 468 N 0.42 1.36 -0.46 2.81 1.35 -0.80 -1.12 112.91 116.47 1sx4 h THR 468 Ca 0.35 -2.54 -0.07 0.00 -0.55 0.00 0.00 66.41 63.59 1sx4 h THR 468 Cb 0.47 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 1sx4 h THR 468 CO -0.35 0.69 0.01 0.58 -0.25 0.00 0.00 175.52 176.20 1sx4 h VAL 469 N 0.00 1.26 -0.23 6.82 2.07 -0.40 -2.99 116.25 122.78 1sx4 h VAL 469 Ca -0.01 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.53 1sx4 h VAL 469 Cb 1.37 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1sx4 h VAL 469 CO 0.09 0.36 -0.05 0.11 0.02 0.00 0.00 177.57 178.10 1sx4 h LYS 470 N 0.65 0.01 0.00 1.57 1.57 0.64 -1.67 116.57 119.34 1sx4 h LYS 470 Ca 0.13 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1sx4 h LYS 470 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sx4 h LYS 470 CO 0.02 0.01 0.18 0.41 -0.57 0.00 0.00 179.45 179.50 1sx4 n GLY 471 N -1.21 -0.59 0.00 3.86 0.00 -0.44 -4.68 105.19 102.13 1sx4 n GLY 471 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.31 1.70 3.31 -0.02 0.00 -0.63 -5.08 105.19 103.16 1sx4 n GLY 472 Ca -0.01 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.25 1.04 1.61 -0.00 -1.26 -5.03 116.67 111.78 1sx4 s ASP 473 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 52.55 52.54 1sx4 s ASP 473 Cb 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 42.92 43.32 1sx4 s ASP 473 CO 0.00 -0.63 0.00 0.61 -0.00 0.00 0.00 175.17 175.15 1sx4 n GLY 474 N 0.61 3.26 1.86 0.21 0.00 -1.26 -1.84 105.19 108.03 1sx4 n GLY 474 Ca -0.19 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 5.04 5.46 -4.74 1.61 5.03 -1.26 -4.94 115.26 121.46 1sx4 n ASN 475 Ca 0.00 -3.01 -0.41 0.00 0.87 0.00 0.00 54.58 52.03 1sx4 n ASN 475 Cb 0.00 -0.69 -0.04 0.00 -1.02 0.00 0.00 39.78 38.03 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 -2.83 3.50 0.33 3.10 5.04 -0.77 -1.07 117.35 124.66 1sx4 s TYR 476 Ca 0.54 1.49 -0.18 0.00 -2.44 0.00 0.00 57.07 56.49 1sx4 s TYR 476 Cb 0.42 -3.36 0.05 0.00 0.35 0.00 0.00 41.96 39.42 1sx4 s TYR 476 CO 0.15 -0.94 0.81 0.20 -1.34 0.00 0.00 175.55 174.43 1sx4 s GLY 477 N 0.10 0.23 -0.19 8.97 0.00 0.80 -4.74 107.32 112.48 1sx4 s GLY 477 Ca 0.52 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 1sx4 s GLY 477 CO 0.35 0.03 0.06 -0.47 0.00 0.00 0.00 173.10 173.07 1sx4 s TYR 478 N -2.66 3.22 -0.59 1.90 5.04 -1.26 -1.21 117.35 121.78 1sx4 s TYR 478 Ca 0.15 0.01 -0.23 0.00 -2.44 0.00 0.00 57.07 54.56 1sx4 s TYR 478 Cb -0.05 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.22 1sx4 s TYR 478 CO 0.10 0.08 0.90 1.21 -1.34 0.00 0.00 175.55 176.50 1sx4 s ASN 479 N 0.54 6.24 0.39 4.32 3.84 -0.41 -4.87 114.94 124.99 1sx4 s ASN 479 Ca 0.03 -0.76 0.07 0.00 0.21 0.00 0.00 52.86 52.41 1sx4 s ASN 479 Cb -0.13 -2.40 0.78 0.00 -0.55 0.00 0.00 41.25 38.95 1sx4 s ASN 479 CO 0.01 -1.27 1.99 0.00 -2.79 0.00 0.00 177.10 175.04 1sx4 h ALA 480 N 9.38 1.59 -0.27 1.71 0.00 -1.96 0.15 119.26 129.85 1sx4 h ALA 480 Ca -0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1sx4 h ALA 480 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1sx4 h ALA 480 CO 1.11 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 180.64 1sx4 h ALA 481 N 1.66 0.37 -0.54 0.00 0.00 -1.96 -3.25 119.26 115.54 1sx4 h ALA 481 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sx4 h ALA 481 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sx4 h ALA 481 CO -0.01 0.17 0.00 0.25 0.00 0.00 0.00 179.25 179.66 1sx4 n THR 482 N -4.53 0.84 -4.08 0.00 -2.24 -1.12 -4.93 114.28 98.23 1sx4 n THR 482 Ca -0.03 -0.92 -0.34 0.00 -2.27 0.00 0.00 64.05 60.49 1sx4 n THR 482 Cb 0.30 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1sx4 n THR 482 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sx4 n GLU 483 N 1.33 -2.10 -4.02 -0.78 0.28 0.48 -4.98 120.64 110.86 1sx4 n GLU 483 Ca 0.20 0.25 -0.10 0.00 -0.16 0.00 0.00 57.16 57.35 1sx4 n GLU 483 Cb 0.56 -4.89 -0.11 0.00 1.43 0.00 0.00 31.44 28.44 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 -6.75 0.43 0.63 3.44 -1.05 -0.94 -4.97 118.70 109.48 1sx4 s GLU 484 Ca 0.67 -0.76 -0.15 0.00 -0.15 0.00 0.00 54.97 54.58 1sx4 s GLU 484 Cb -0.38 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.31 1sx4 s GLU 484 CO 0.82 -0.03 1.07 0.71 0.95 0.00 0.00 175.26 178.77 1sx4 s TYR 485 N -1.87 2.94 -1.76 4.83 1.51 -1.26 -1.29 117.35 120.45 1sx4 s TYR 485 Ca -0.10 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1sx4 s TYR 485 Cb -0.07 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1sx4 s TYR 485 CO -0.02 -1.25 0.00 0.41 -1.11 0.00 0.00 175.55 173.58 1sx4 n GLY 486 N -1.10 -0.91 3.59 0.71 0.00 -0.35 -4.84 105.19 102.28 1sx4 n GLY 486 Ca 0.09 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 6.59 0.40 1.61 3.84 -1.26 -0.14 114.94 121.98 1sx4 s ASN 487 Ca 0.00 0.38 0.08 0.00 0.21 0.00 0.00 52.86 53.53 1sx4 s ASN 487 Cb 0.00 -2.44 0.86 0.00 -0.55 0.00 0.00 41.25 39.12 1sx4 s ASN 487 CO 0.00 -0.88 2.02 0.24 -2.79 0.00 0.00 177.10 175.69 1sx4 h MET 488 N 8.66 0.56 -0.17 0.43 2.86 -1.41 -1.49 114.93 124.38 1sx4 h MET 488 Ca -0.24 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.17 1sx4 h MET 488 Cb 1.08 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.62 1sx4 h MET 488 CO 0.98 0.37 -0.66 0.82 1.06 0.00 0.00 176.91 179.47 1sx4 h ILE 489 N 0.58 1.30 -0.41 -1.22 1.08 -1.83 -2.04 117.51 114.96 1sx4 h ILE 489 Ca 0.21 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.81 1sx4 h ILE 489 Cb 0.13 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1sx4 h ILE 489 CO -0.06 0.59 0.27 0.44 -0.69 0.00 0.00 178.15 178.71 1sx4 h ASP 490 N 0.47 0.47 -0.02 1.72 3.32 -1.85 -1.11 116.42 119.40 1sx4 h ASP 490 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1sx4 h ASP 490 Cb 1.29 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1sx4 h ASP 490 CO 0.14 0.34 0.00 0.23 -1.72 0.00 0.00 179.24 178.23 1sx4 n MET 491 N -4.47 1.16 -1.92 3.56 2.81 -0.60 -4.89 117.12 112.78 1sx4 n MET 491 Ca 0.03 -0.24 -0.16 0.00 -1.81 0.00 0.00 57.70 55.52 1sx4 n MET 491 Cb 0.06 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 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 0.94 0.57 3.14 3.03 0.00 -0.42 -4.95 105.19 107.50 1sx4 n GLY 492 Ca 0.18 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.35 4.52 -3.82 -0.61 5.41 -0.79 -4.84 119.36 115.88 1sx4 n ILE 493 Ca -0.17 -4.90 -0.35 0.00 1.00 0.00 0.00 62.75 58.33 1sx4 n ILE 493 Cb 0.59 -2.37 -0.10 0.00 -0.71 0.00 0.00 39.64 37.05 1sx4 n ILE 493 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sx4 s LEU 494 N -0.21 3.96 0.03 1.39 1.43 -1.26 -1.74 118.68 122.27 1sx4 s LEU 494 Ca 0.38 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1sx4 s LEU 494 Cb 0.02 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1sx4 s LEU 494 CO 0.01 0.12 0.36 -1.81 0.23 0.00 0.00 176.35 175.26 1sx4 s ASP 495 N 0.70 6.65 0.09 2.29 1.01 -0.89 -4.64 116.67 121.88 1sx4 s ASP 495 Ca 0.06 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 53.80 1sx4 s ASP 495 Cb -0.13 -2.18 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 1sx4 s ASP 495 CO 0.01 0.25 1.14 -2.84 0.21 0.00 0.00 175.17 173.95 1sx4 s PRO 496 N -1.54 4.49 0.11 8.23 0.02 -1.26 -2.06 135.00 143.00 1sx4 s PRO 496 Ca 0.28 1.71 -0.31 0.00 0.02 0.00 0.00 61.00 62.70 1sx4 s PRO 496 Cb -0.15 -3.34 -0.10 0.00 0.02 0.00 0.00 34.50 30.94 1sx4 s PRO 496 CO 0.15 -0.14 1.59 1.15 -0.33 0.00 0.00 177.00 179.42 1sx4 h THR 497 N 4.31 0.15 -1.79 0.99 2.02 -0.02 -0.57 112.91 118.00 1sx4 h THR 497 Ca -0.42 0.00 0.54 0.00 0.77 0.00 0.00 66.41 67.30 1sx4 h THR 497 Cb 1.21 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 1sx4 h THR 497 CO 0.78 0.00 1.26 1.17 0.37 0.00 0.00 175.52 179.10 1sx4 n LYS 498 N -5.46 -0.01 0.10 6.66 4.81 -1.26 -0.69 118.16 122.31 1sx4 n LYS 498 Ca -0.07 1.11 -0.23 0.00 -0.87 0.00 0.00 58.31 58.26 1sx4 n LYS 498 Cb 0.38 -2.45 -0.15 0.00 0.02 0.00 0.00 35.03 32.82 1sx4 n LYS 498 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1sx4 h VAL 499 N 0.00 1.38 -0.71 3.15 -1.51 -1.46 -2.06 116.25 115.04 1sx4 h VAL 499 Ca 0.91 -2.61 0.10 0.00 -1.23 0.00 0.00 66.70 63.87 1sx4 h VAL 499 Cb 3.48 3.09 -0.05 0.00 -2.13 0.00 0.00 31.29 35.68 1sx4 h VAL 499 CO -0.13 0.76 0.47 0.74 -1.23 0.00 0.00 177.57 178.18 1sx4 h THR 500 N -0.07 0.91 0.23 7.19 2.02 -0.65 -1.05 112.91 121.50 1sx4 h THR 500 Ca -0.20 -0.20 -0.33 0.00 0.77 0.00 0.00 66.41 66.45 1sx4 h THR 500 Cb 1.93 0.29 0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1sx4 h THR 500 CO 0.22 0.10 -1.44 -0.09 0.37 0.00 0.00 175.52 174.68 1sx4 h ARG 501 N 0.57 0.56 -0.23 6.66 1.12 -1.07 -2.56 114.38 119.43 1sx4 h ARG 501 Ca 0.33 -0.92 -0.07 0.00 -1.11 0.00 0.00 59.98 58.22 1sx4 h ARG 501 Cb 0.52 0.33 -0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1sx4 h ARG 501 CO -0.11 1.44 -0.11 0.77 -3.11 0.00 0.00 179.97 178.84 1sx4 h SER 502 N 0.17 0.50 -0.69 -3.80 0.02 -1.01 -1.37 113.55 107.37 1sx4 h SER 502 Ca -0.25 -0.41 0.12 0.00 -0.84 0.00 0.00 61.79 60.41 1sx4 h SER 502 Cb 2.13 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 64.41 1sx4 h SER 502 CO 0.27 0.80 -0.33 0.00 -1.14 0.00 0.00 176.83 176.43 1sx4 h ALA 503 N 0.72 0.07 0.20 3.77 0.00 -1.24 -0.86 119.26 121.91 1sx4 h ALA 503 Ca 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1sx4 h ALA 503 Cb 0.61 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sx4 h ALA 503 CO 0.03 -0.63 -0.10 1.25 0.00 0.00 0.00 179.25 179.81 1sx4 h LEU 504 N -0.11 -0.23 -0.01 0.00 6.46 -1.33 -2.26 115.31 117.83 1sx4 h LEU 504 Ca 0.27 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1sx4 h LEU 504 Cb 0.56 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1sx4 h LEU 504 CO -0.75 -0.14 -0.36 1.56 -0.62 0.00 0.00 178.44 178.12 1sx4 h GLN 505 N -0.30 -0.49 -0.35 1.25 4.20 -0.91 -0.75 115.11 117.76 1sx4 h GLN 505 Ca -0.03 0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1sx4 h GLN 505 Cb 0.23 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1sx4 h GLN 505 CO 0.05 -0.33 -0.43 1.88 -0.67 0.00 0.00 178.83 179.33 1sx4 h TYR 506 N -0.51 1.08 -0.09 2.96 0.05 -1.22 0.13 116.97 119.36 1sx4 h TYR 506 Ca 0.06 -0.34 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 1sx4 h TYR 506 Cb 0.60 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1sx4 h TYR 506 CO -0.38 1.16 -0.04 0.00 -1.05 0.00 0.00 178.16 177.85 1sx4 h ALA 507 N 0.79 0.13 -1.00 3.88 0.00 -1.33 -2.72 119.26 119.00 1sx4 h ALA 507 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 507 Cb 1.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 507 CO 0.10 -0.12 0.66 0.00 0.00 0.00 0.00 179.25 179.89 1sx4 h ALA 508 N 0.65 1.29 -0.44 0.00 0.00 -0.91 -0.15 119.26 119.69 1sx4 h ALA 508 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 508 Cb 0.47 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sx4 h ALA 508 CO 0.01 0.66 0.29 1.03 0.00 0.00 0.00 179.25 181.25 1sx4 h SER 509 N 1.35 0.45 0.00 0.00 0.87 -0.45 0.27 113.55 116.04 1sx4 h SER 509 Ca 0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1sx4 h SER 509 Cb -0.16 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1sx4 h SER 509 CO -0.08 0.31 -0.47 1.33 -0.53 0.00 0.00 176.83 177.39 1sx4 n VAL 510 N -4.48 1.22 -0.24 2.23 0.24 -1.07 -3.89 118.33 112.35 1sx4 n VAL 510 Ca 0.04 0.25 -0.01 0.00 -2.04 0.00 0.00 64.34 62.59 1sx4 n VAL 510 Cb 0.12 -2.26 0.02 0.00 -1.47 0.00 0.00 33.84 30.25 1sx4 n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sx4 n ALA 511 N -3.50 -0.08 -0.11 2.33 0.00 -0.09 0.51 120.51 119.56 1sx4 n ALA 511 Ca -0.07 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 1sx4 n ALA 511 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 1sx4 n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 512 N -1.30 -2.18 0.20 0.00 0.00 0.96 -1.79 105.19 101.09 1sx4 n GLY 512 Ca 0.06 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 1sx4 n GLY 512 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sx4 h LEU 513 N 0.00 0.47 -1.77 0.99 3.38 -0.05 -2.57 115.31 115.76 1sx4 h LEU 513 Ca 0.04 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1sx4 h LEU 513 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1sx4 h LEU 513 CO -0.25 0.34 0.35 0.24 0.09 0.00 0.00 178.44 179.21 1sx4 h MET 514 N 0.59 0.25 -0.01 1.13 2.86 -0.49 0.22 114.93 119.47 1sx4 h MET 514 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1sx4 h MET 514 Cb 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1sx4 h MET 514 CO -0.09 0.16 -0.01 0.44 1.06 0.00 0.00 176.91 178.48 1sx4 n ILE 515 N -4.45 0.00 -0.58 -1.22 -5.35 -0.80 -2.48 119.36 104.47 1sx4 n ILE 515 Ca 0.08 -0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1sx4 n ILE 515 Cb 0.41 0.20 0.36 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.20 1.68 -1.95 7.28 -2.24 0.79 -4.84 114.28 114.80 1sx4 n THR 516 Ca 0.20 -1.16 -0.42 0.00 -2.27 0.00 0.00 64.05 60.41 1sx4 n THR 516 Cb 0.28 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.68 2.58 0.00 4.28 2.01 -1.04 -4.91 115.64 116.88 1sx4 s THR 517 Ca 0.51 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1sx4 s THR 517 Cb 0.32 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1sx4 s THR 517 CO 0.27 0.06 0.00 1.21 -0.69 0.00 0.00 174.62 175.46 1sx4 n GLU 518 N 3.04 2.87 -3.96 4.92 4.07 -1.26 -4.84 120.64 125.48 1sx4 n GLU 518 Ca 0.10 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.11 1sx4 n GLU 518 Cb 0.39 -0.75 -0.11 0.00 -0.06 0.00 0.00 31.44 30.92 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 -1.65 0.02 -0.03 0.00 -1.94 0.61 -4.98 119.30 111.33 1sx4 s MET 520 Ca -0.14 0.22 0.07 0.00 -1.71 0.00 0.00 55.69 54.13 1sx4 s MET 520 Cb -0.08 -0.17 -0.02 0.00 2.01 0.00 0.00 34.83 36.57 1sx4 s MET 520 CO -0.01 -0.14 -0.23 0.08 -0.01 0.00 0.00 175.02 174.71 1sx4 s VAL 521 N 0.91 1.86 0.09 -6.03 1.01 -1.26 -0.57 120.40 116.40 1sx4 s VAL 521 Ca -0.07 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1sx4 s VAL 521 Cb -0.10 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.78 1sx4 s VAL 521 CO -0.03 0.52 0.76 1.07 0.00 0.00 0.00 175.10 177.42 1sx4 n THR 522 N 2.66 0.00 -2.88 3.92 5.66 -1.19 -5.01 114.28 117.43 1sx4 n THR 522 Ca -0.16 -0.32 -0.29 0.00 -3.05 0.00 0.00 64.05 60.23 1sx4 n THR 522 Cb 0.52 0.50 -0.02 0.00 -1.55 0.00 0.00 70.33 69.78 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 -2.77 6.43 0.41 1.09 1.11 -1.26 -1.04 116.67 120.64 1sx4 s ASP 523 Ca 0.17 0.99 -0.26 0.00 0.18 0.00 0.00 52.55 53.63 1sx4 s ASP 523 Cb -0.02 -2.27 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 1sx4 s ASP 523 CO 0.03 -0.42 1.35 -0.76 1.18 0.00 0.00 175.17 176.56 1sx4 s LEU 524 N -4.07 4.20 0.00 1.23 1.43 -1.17 -4.53 118.68 115.76 1sx4 s LEU 524 Ca 0.49 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.35 1sx4 s LEU 524 Cb -0.10 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1sx4 s LEU 524 CO 0.35 -0.94 0.45 -0.81 0.23 0.00 0.00 176.35 175.64