#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 s ALA 3 N 0.00 3.45 0.33 0.00 0.00 -1.26 -4.99 121.76 119.29 1sx4 s ALA 3 Ca 0.00 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1sx4 s ALA 3 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1sx4 s ALA 3 CO 0.00 -0.40 0.45 0.15 0.00 0.00 0.00 175.76 175.96 1sx4 s LYS 4 N -0.23 3.10 -0.24 0.00 -0.14 -1.26 -3.15 119.74 117.81 1sx4 s LYS 4 Ca 0.53 -1.03 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 1sx4 s LYS 4 Cb -0.33 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1sx4 s LYS 4 CO 0.37 0.08 -0.05 0.34 -0.76 0.00 0.00 175.35 175.33 1sx4 s ASP 5 N -4.15 4.29 -0.12 2.83 2.15 -0.24 -4.82 116.67 116.60 1sx4 s ASP 5 Ca 0.44 -0.65 -0.00 0.00 0.43 0.00 0.00 52.55 52.77 1sx4 s ASP 5 Cb -0.09 -1.70 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 1sx4 s ASP 5 CO 0.31 -0.08 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.42 1sx4 s VAL 6 N 1.40 3.21 0.08 1.11 1.01 -1.26 -2.91 120.40 123.04 1sx4 s VAL 6 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1sx4 s VAL 6 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1sx4 s VAL 6 CO -0.04 0.53 -0.22 -0.75 0.00 0.00 0.00 175.10 174.62 1sx4 s LYS 7 N 0.19 1.28 0.05 2.72 2.20 -0.71 -4.99 119.74 120.48 1sx4 s LYS 7 Ca -0.07 -1.10 0.09 0.00 -0.36 0.00 0.00 55.97 54.53 1sx4 s LYS 7 Cb -0.15 -1.51 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 1sx4 s LYS 7 CO 0.05 0.37 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.10 1sx4 s PHE 8 N -1.01 2.10 0.00 4.03 0.40 -1.26 -1.87 117.98 120.37 1sx4 s PHE 8 Ca 0.08 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1sx4 s PHE 8 Cb -0.10 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.19 1sx4 s PHE 8 CO 0.03 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1sx4 n GLY 9 N 1.70 2.06 0.27 4.36 0.00 0.17 -2.22 105.19 111.53 1sx4 n GLY 9 Ca -0.17 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 1sx4 n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1sx4 h ASN 10 N 0.00 -0.53 -0.54 1.61 -1.24 -1.93 -1.55 115.58 111.40 1sx4 h ASN 10 Ca 0.00 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.02 1sx4 h ASN 10 Cb 0.00 0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 1sx4 h ASN 10 CO 0.00 -0.29 -0.36 0.44 -1.29 0.00 0.00 177.43 175.93 1sx4 h ASP 11 N -0.75 -1.29 -0.81 1.15 3.32 -1.84 0.27 116.42 116.47 1sx4 h ASP 11 Ca -0.06 0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1sx4 h ASP 11 Cb 0.54 0.56 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1sx4 h ASP 11 CO 0.11 -0.16 -0.46 0.00 -1.72 0.00 0.00 179.24 177.00 1sx4 n ALA 12 N -3.11 -0.49 -0.06 3.45 0.00 -1.06 -1.54 120.51 117.70 1sx4 n ALA 12 Ca 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 53.44 54.07 1sx4 n ALA 12 Cb 0.17 -0.13 0.11 0.00 0.00 0.00 0.00 19.45 19.60 1sx4 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 h ARG 13 N 0.00 0.69 0.39 0.00 3.08 -0.20 -0.76 114.38 117.58 1sx4 h ARG 13 Ca 0.14 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1sx4 h ARG 13 Cb 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1sx4 h ARG 13 CO -0.76 0.87 -0.19 0.28 -1.07 0.00 0.00 179.97 179.10 1sx4 h VAL 14 N 0.61 0.62 -0.50 2.04 2.07 0.07 0.54 116.25 121.69 1sx4 h VAL 14 Ca 0.08 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.67 1sx4 h VAL 14 Cb 0.73 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 1sx4 h VAL 14 CO 0.06 0.01 -0.21 0.11 0.02 0.00 0.00 177.57 177.56 1sx4 h LYS 15 N -0.54 -0.09 -0.73 1.57 1.79 -1.24 -0.13 116.57 117.20 1sx4 h LYS 15 Ca -0.05 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.57 1sx4 h LYS 15 Cb 0.41 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 1sx4 h LYS 15 CO 0.09 -0.06 0.21 0.52 -1.08 0.00 0.00 179.45 179.13 1sx4 h MET 16 N -0.09 0.31 0.50 3.15 2.86 -0.80 -2.31 114.93 118.54 1sx4 h MET 16 Ca 0.23 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1sx4 h MET 16 Cb 0.46 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1sx4 h MET 16 CO -0.56 0.21 -0.24 1.25 1.06 0.00 0.00 176.91 178.63 1sx4 h LEU 17 N 0.32 -0.57 -0.34 1.22 5.85 0.97 0.84 115.31 123.61 1sx4 h LEU 17 Ca 0.40 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.15 1sx4 h LEU 17 Cb 0.66 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1sx4 h LEU 17 CO -0.46 -0.33 0.04 0.03 -0.34 0.00 0.00 178.44 177.37 1sx4 h ARG 18 N -0.77 0.14 -0.27 1.25 3.08 -1.23 0.38 114.38 116.95 1sx4 h ARG 18 Ca -0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sx4 h ARG 18 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1sx4 h ARG 18 CO 0.11 0.09 -0.20 0.78 -1.07 0.00 0.00 179.97 179.68 1sx4 h GLY 19 N 0.14 -1.90 0.72 0.04 0.00 -1.25 -0.35 103.07 100.48 1sx4 h GLY 19 Ca 0.16 0.95 0.06 0.00 0.00 0.00 0.00 47.33 48.51 1sx4 h GLY 19 CO -0.24 -0.61 0.55 -0.24 0.00 0.00 0.00 176.54 176.00 1sx4 h VAL 20 N -0.05 1.05 -0.46 4.60 3.04 0.80 -2.93 116.25 122.29 1sx4 h VAL 20 Ca 0.04 -0.34 0.08 0.00 -1.01 0.00 0.00 66.70 65.47 1sx4 h VAL 20 Cb 0.17 -0.04 -0.07 0.00 -2.01 0.00 0.00 31.29 29.34 1sx4 h VAL 20 CO -0.28 0.18 0.04 0.78 -1.01 0.00 0.00 177.57 177.28 1sx4 h ASN 21 N 1.00 -0.11 -0.57 3.17 -0.26 0.12 -0.66 115.58 118.27 1sx4 h ASN 21 Ca 0.38 0.10 0.09 0.00 -0.56 0.00 0.00 56.30 56.31 1sx4 h ASN 21 Cb 0.17 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.52 1sx4 h ASN 21 CO -0.17 -0.02 0.17 0.58 -1.06 0.00 0.00 177.43 176.93 1sx4 h VAL 22 N 0.16 0.74 0.55 2.81 2.07 -0.97 2.26 116.25 123.87 1sx4 h VAL 22 Ca 0.23 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1sx4 h VAL 22 Cb 0.32 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1sx4 h VAL 22 CO -0.34 0.06 -0.51 0.25 0.02 0.00 0.00 177.57 177.05 1sx4 h LEU 23 N 0.33 -1.38 -0.95 2.57 6.46 -1.02 -2.79 115.31 118.53 1sx4 h LEU 23 Ca 0.29 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 58.29 1sx4 h LEU 23 Cb 0.37 0.45 -0.09 0.00 -0.73 0.00 0.00 40.66 40.66 1sx4 h LEU 23 CO -0.32 -0.69 0.57 0.00 -0.62 0.00 0.00 178.44 177.38 1sx4 h ALA 24 N -0.95 1.45 -0.01 1.25 0.00 -0.88 0.20 119.26 120.32 1sx4 h ALA 24 Ca -0.07 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1sx4 h ALA 24 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1sx4 h ALA 24 CO -0.04 0.09 -0.62 -0.44 0.00 0.00 0.00 179.25 178.24 1sx4 h ASP 25 N 0.84 0.05 0.18 0.00 3.32 0.40 -1.28 116.42 119.93 1sx4 h ASP 25 Ca 0.49 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.26 1sx4 h ASP 25 Cb 0.59 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1sx4 h ASP 25 CO -0.31 0.66 -1.04 0.00 -1.72 0.00 0.00 179.24 176.83 1sx4 h ALA 26 N 1.34 0.21 0.00 3.45 0.00 -1.33 -3.34 119.26 119.59 1sx4 h ALA 26 Ca -0.01 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 1sx4 h ALA 26 Cb 1.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1sx4 h ALA 26 CO 0.08 0.75 -1.14 -0.24 0.00 0.00 0.00 179.25 178.70 1sx4 h VAL 27 N 0.30 0.52 0.00 0.00 3.04 -0.42 -3.37 116.25 116.32 1sx4 h VAL 27 Ca -0.12 -1.92 0.00 0.00 -1.01 0.00 0.00 66.70 63.65 1sx4 h VAL 27 Cb 1.69 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 33.03 1sx4 h VAL 27 CO 0.19 0.30 0.00 0.07 -1.01 0.00 0.00 177.57 177.12 1sx4 h LYS 28 N 0.00 0.00 -0.00 4.17 2.10 -1.35 -3.06 116.57 118.42 1sx4 h LYS 28 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1sx4 h LYS 28 Cb 1.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 1sx4 h LYS 28 CO 0.04 0.00 -0.10 1.33 -2.00 0.00 0.00 179.45 178.72 1sx4 n VAL 29 N -2.38 0.00 -0.85 0.07 0.24 -1.26 -2.75 118.33 111.40 1sx4 n VAL 29 Ca 0.05 -0.03 0.03 0.00 -2.04 0.00 0.00 64.34 62.34 1sx4 n VAL 29 Cb 0.41 -0.22 0.36 0.00 -1.47 0.00 0.00 33.84 32.93 1sx4 n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sx4 n THR 30 N -1.15 2.71 -0.07 3.34 -2.24 -1.16 -0.78 114.28 114.92 1sx4 n THR 30 Ca 0.13 -1.40 -0.14 0.00 -2.27 0.00 0.00 64.05 60.37 1sx4 n THR 30 Cb 0.28 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 1sx4 n THR 30 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sx4 h LEU 31 N 3.46 0.00 -8.55 3.22 5.85 -1.75 -3.41 115.31 114.12 1sx4 h LEU 31 Ca 0.08 -0.79 -0.14 0.00 0.84 0.00 0.00 57.88 57.87 1sx4 h LEU 31 Cb 2.03 0.00 0.08 0.00 0.37 0.00 0.00 40.66 43.14 1sx4 h LEU 31 CO 0.55 1.02 -0.34 0.61 -0.34 0.00 0.00 178.44 179.94 1sx4 n GLY 32 N 1.60 -1.84 0.00 3.75 0.00 -1.26 -4.80 105.19 102.64 1sx4 n GLY 32 Ca -0.12 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.58 1sx4 n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sx4 n PRO 33 N 0.30 0.24 -2.82 1.61 -0.04 -1.26 -3.90 135.00 129.13 1sx4 n PRO 33 Ca 0.03 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1sx4 n PRO 33 Cb 0.22 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1sx4 n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sx4 n LYS 34 N -1.24 2.00 -1.86 0.54 5.02 -1.26 -4.99 118.16 116.36 1sx4 n LYS 34 Ca 0.07 -3.88 -0.30 0.00 -2.02 0.00 0.00 58.31 52.19 1sx4 n LYS 34 Cb 0.10 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.09 1.62 0.57 0.72 0.00 -1.25 -3.83 107.32 102.07 1sx4 s GLY 35 Ca 0.39 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1sx4 s GLY 35 CO -0.08 0.02 0.79 0.50 0.00 0.00 0.00 173.10 174.33 1sx4 s ARG 36 N -5.37 2.38 0.19 2.90 1.81 0.04 -4.95 118.95 115.95 1sx4 s ARG 36 Ca 0.59 -1.00 -0.07 0.00 -1.72 0.00 0.00 55.73 53.52 1sx4 s ARG 36 Cb -0.11 -2.51 -0.06 0.00 -0.45 0.00 0.00 34.95 31.81 1sx4 s ARG 36 CO 0.52 -0.81 0.47 -0.80 -0.68 0.00 0.00 175.30 173.99 1sx4 s ASN 37 N -4.50 6.56 -0.02 0.23 0.01 -1.26 -4.46 114.94 111.51 1sx4 s ASN 37 Ca 0.59 0.76 0.07 0.00 -0.71 0.00 0.00 52.86 53.57 1sx4 s ASN 37 Cb -0.09 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 1sx4 s ASN 37 CO 0.39 -0.01 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.06 1sx4 s VAL 38 N -1.74 2.44 -0.23 1.60 1.01 0.20 -4.94 120.40 118.74 1sx4 s VAL 38 Ca 0.44 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1sx4 s VAL 38 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1sx4 s VAL 38 CO 0.23 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.25 1sx4 s VAL 39 N -0.70 4.57 -0.34 2.92 1.01 -1.26 -1.72 120.40 124.88 1sx4 s VAL 39 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1sx4 s VAL 39 Cb -0.10 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.25 1sx4 s VAL 39 CO 0.00 0.37 0.07 -0.76 0.00 0.00 0.00 175.10 174.78 1sx4 s LEU 40 N 1.19 4.52 0.78 3.92 1.02 0.98 -4.93 118.68 126.15 1sx4 s LEU 40 Ca 0.05 -1.77 -0.14 0.00 0.02 0.00 0.00 54.13 52.29 1sx4 s LEU 40 Cb -0.14 -1.71 0.06 0.00 0.02 0.00 0.00 46.19 44.42 1sx4 s LEU 40 CO 0.04 -0.38 1.19 -0.62 0.02 0.00 0.00 176.35 176.60 1sx4 s ASP 41 N 1.33 3.91 -0.16 2.29 2.15 -1.26 -0.61 116.67 124.32 1sx4 s ASP 41 Ca 0.03 2.30 -0.07 0.00 0.43 0.00 0.00 52.55 55.24 1sx4 s ASP 41 Cb -0.21 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.90 1sx4 s ASP 41 CO -0.04 -2.45 0.35 -0.75 -0.17 0.00 0.00 175.17 172.10 1sx4 s LYS 42 N -4.13 0.28 0.00 4.34 2.20 -1.26 -4.78 119.74 116.39 1sx4 s LYS 42 Ca 0.72 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 1sx4 s LYS 42 Cb -0.27 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1sx4 s LYS 42 CO 0.49 -0.22 0.59 0.43 -0.36 0.00 0.00 175.35 176.28 1sx4 n SER 43 N 4.85 0.00 -4.85 1.43 7.64 -1.26 -4.40 113.62 117.03 1sx4 n SER 43 Ca -0.15 0.59 -0.34 0.00 1.01 0.00 0.00 58.87 59.97 1sx4 n SER 43 Cb 0.52 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1sx4 n SER 43 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sx4 s PHE 44 N -1.67 3.56 0.00 1.43 0.40 -1.26 -4.93 117.98 115.51 1sx4 s PHE 44 Ca 0.00 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1sx4 s PHE 44 Cb 0.00 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1sx4 s PHE 44 CO 0.00 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.73 1sx4 n GLY 45 N 0.57 -1.59 3.86 4.36 0.00 -1.26 -4.97 105.19 106.15 1sx4 n GLY 45 Ca -0.04 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 s ALA 46 N -1.07 3.38 1.24 4.61 0.00 -1.26 -4.80 121.76 123.85 1sx4 s ALA 46 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 1sx4 s ALA 46 Cb 0.00 -2.69 0.30 0.00 0.00 0.00 0.00 23.12 20.73 1sx4 s ALA 46 CO 0.00 0.35 1.01 -1.25 0.00 0.00 0.00 175.76 175.87 1sx4 s PRO 47 N -3.00 -1.48 -0.18 0.00 0.04 -1.26 -4.72 135.00 124.41 1sx4 s PRO 47 Ca 0.52 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.02 1sx4 s PRO 47 Cb -0.10 -1.52 -0.02 0.00 0.04 0.00 0.00 34.50 32.90 1sx4 s PRO 47 CO 0.19 -4.01 -0.03 0.99 0.04 0.00 0.00 177.00 174.18 1sx4 s THR 48 N -2.50 3.80 -0.23 1.26 2.01 0.23 -4.93 115.64 115.27 1sx4 s THR 48 Ca 0.68 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 1sx4 s THR 48 Cb -0.20 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 1sx4 s THR 48 CO 0.61 0.46 0.13 -0.63 -0.69 0.00 0.00 174.62 174.51 1sx4 s ILE 49 N 0.72 5.16 0.04 1.82 1.01 -1.26 -0.01 121.20 128.68 1sx4 s ILE 49 Ca -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 1sx4 s ILE 49 Cb -0.14 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1sx4 s ILE 49 CO 0.02 0.37 0.18 0.28 0.00 0.00 0.00 174.94 175.79 1sx4 s THR 50 N 0.98 0.11 -0.00 2.92 -1.32 -0.70 -4.95 115.64 112.68 1sx4 s THR 50 Ca 0.07 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1sx4 s THR 50 Cb -0.13 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1sx4 s THR 50 CO 0.04 -0.51 0.95 0.29 -2.21 0.00 0.00 174.62 173.18 1sx4 n LYS 51 N 0.66 2.69 -3.23 7.08 5.02 -1.26 0.58 118.16 129.70 1sx4 n LYS 51 Ca -0.19 -1.42 -0.44 0.00 -2.02 0.00 0.00 58.31 54.25 1sx4 n LYS 51 Cb 0.59 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 34.58 1sx4 n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sx4 s ASP 52 N -0.93 6.20 0.48 4.39 2.15 -1.26 -4.73 116.67 122.97 1sx4 s ASP 52 Ca 0.00 -1.04 0.27 0.00 0.43 0.00 0.00 52.55 52.22 1sx4 s ASP 52 Cb 0.00 -2.26 1.34 0.00 -0.30 0.00 0.00 42.92 41.71 1sx4 s ASP 52 CO 0.00 -0.81 1.82 1.23 -0.17 0.00 0.00 175.17 177.24 1sx4 h GLY 53 N 9.40 0.49 1.34 2.66 0.00 -1.85 -2.11 103.07 113.00 1sx4 h GLY 53 Ca -0.28 -0.09 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 1sx4 h GLY 53 CO 0.94 -0.05 -0.63 -2.08 0.00 0.00 0.00 176.54 174.72 1sx4 h VAL 54 N 0.17 1.31 0.12 4.60 2.07 -1.94 0.39 116.25 122.96 1sx4 h VAL 54 Ca 0.53 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1sx4 h VAL 54 Cb 1.76 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1sx4 h VAL 54 CO -0.12 0.59 -0.15 0.28 0.02 0.00 0.00 177.57 178.19 1sx4 h SER 55 N 0.50 -0.40 0.37 0.57 0.02 -1.83 -2.59 113.55 110.18 1sx4 h SER 55 Ca -0.01 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1sx4 h SER 55 Cb 1.21 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1sx4 h SER 55 CO 0.12 -0.22 -0.34 0.58 -1.14 0.00 0.00 176.83 175.83 1sx4 h VAL 56 N -0.31 0.29 -0.88 2.27 2.07 -1.07 -2.51 116.25 116.12 1sx4 h VAL 56 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.74 1sx4 h VAL 56 Cb 0.31 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 30.21 1sx4 h VAL 56 CO -0.06 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.44 1sx4 h ALA 57 N -0.26 0.80 -0.38 1.67 0.00 -0.31 -1.39 119.26 119.39 1sx4 h ALA 57 Ca -0.03 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1sx4 h ALA 57 Cb 0.65 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1sx4 h ALA 57 CO -0.04 -0.45 0.06 -0.09 0.00 0.00 0.00 179.25 178.73 1sx4 h ARG 58 N 0.03 0.56 0.00 0.00 2.43 -1.03 0.45 114.38 116.82 1sx4 h ARG 58 Ca 0.47 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 1sx4 h ARG 58 Cb 0.83 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1sx4 h ARG 58 CO -0.85 0.54 -0.26 0.93 -1.51 0.00 0.00 179.97 178.83 1sx4 h GLU 59 N 0.55 0.00 -6.29 0.20 3.07 -1.13 -3.46 114.58 107.52 1sx4 h GLU 59 Ca 0.12 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.44 1sx4 h GLU 59 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1sx4 h GLU 59 CO 0.00 0.26 0.98 0.42 -1.40 0.00 0.00 179.01 179.27 1sx4 s ILE 60 N -3.28 3.69 -0.13 3.13 -1.09 0.16 -4.96 121.20 118.72 1sx4 s ILE 60 Ca 0.03 0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 59.33 1sx4 s ILE 60 Cb 0.08 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1sx4 s ILE 60 CO 0.68 -0.05 0.31 -0.70 -1.23 0.00 0.00 174.94 173.95 1sx4 s GLU 61 N 3.37 0.27 0.33 2.79 2.12 -1.26 -4.92 118.70 121.40 1sx4 s GLU 61 Ca 0.67 0.64 0.08 0.00 0.36 0.00 0.00 54.97 56.72 1sx4 s GLU 61 Cb -0.31 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1sx4 s GLU 61 CO 0.26 -0.17 0.27 -0.51 -0.54 0.00 0.00 175.26 174.57 1sx4 s LEU 62 N 1.39 3.57 -0.03 2.70 1.43 -1.26 -5.05 118.68 121.43 1sx4 s LEU 62 Ca -0.09 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 1sx4 s LEU 62 Cb -0.10 -2.16 -0.22 0.00 0.03 0.00 0.00 46.19 43.74 1sx4 s LEU 62 CO -0.10 -0.32 1.09 -0.08 0.23 0.00 0.00 176.35 177.16 1sx4 h GLU 63 N 1.30 0.22 -6.12 1.70 4.81 -2.00 -3.42 114.58 111.07 1sx4 h GLU 63 Ca -0.45 -0.21 -0.57 0.00 -0.13 0.00 0.00 59.36 58.00 1sx4 h GLU 63 Cb 1.25 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1sx4 h GLU 63 CO 0.59 0.90 1.39 0.34 -0.73 0.00 0.00 179.01 181.50 1sx4 s ASP 64 N -6.32 5.79 1.25 1.04 -1.08 -1.26 -4.94 116.67 111.15 1sx4 s ASP 64 Ca -0.15 2.01 -0.16 0.00 -0.52 0.00 0.00 52.55 53.73 1sx4 s ASP 64 Cb 0.02 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.26 1sx4 s ASP 64 CO 0.75 -1.68 0.86 0.29 0.52 0.00 0.00 175.17 175.92 1sx4 n LYS 65 N 8.36 -3.01 0.00 4.34 5.02 -1.26 -0.37 118.16 131.24 1sx4 n LYS 65 Ca 0.26 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 1sx4 n LYS 65 Cb 0.44 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1sx4 n LYS 65 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1sx4 n PHE 66 N -5.15 0.00 -0.29 2.13 3.72 -1.26 -3.79 117.46 112.82 1sx4 n PHE 66 Ca 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.43 1sx4 n PHE 66 Cb 0.56 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.15 1sx4 n PHE 66 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sx4 h GLU 67 N 0.00 -0.06 -0.25 -1.08 5.08 -1.63 0.37 114.58 117.01 1sx4 h GLU 67 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1sx4 h GLU 67 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1sx4 h GLU 67 CO 0.00 -0.04 -0.04 -0.97 -1.00 0.00 0.00 179.01 176.96 1sx4 h ASN 68 N -0.06 -0.19 -0.75 1.42 -1.24 -0.80 -1.25 115.58 112.71 1sx4 h ASN 68 Ca 0.33 0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.52 1sx4 h ASN 68 Cb 0.59 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.72 1sx4 h ASN 68 CO -0.83 -0.06 0.49 0.24 -1.29 0.00 0.00 177.43 175.98 1sx4 h MET 69 N 0.03 0.54 0.74 6.67 2.86 -1.00 0.62 114.93 125.38 1sx4 h MET 69 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1sx4 h MET 69 Cb 0.17 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1sx4 h MET 69 CO -0.24 0.36 -0.35 0.78 1.06 0.00 0.00 176.91 178.51 1sx4 h GLY 70 N 0.55 -1.03 1.01 8.32 0.00 0.71 -0.95 103.07 111.68 1sx4 h GLY 70 Ca 0.36 0.38 -0.03 0.00 0.00 0.00 0.00 47.33 48.04 1sx4 h GLY 70 CO -0.13 -0.38 0.29 0.00 0.00 0.00 0.00 176.54 176.33 1sx4 h ALA 71 N -0.80 0.85 -0.06 3.60 0.00 0.27 -1.64 119.26 121.48 1sx4 h ALA 71 Ca -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 71 Cb 0.77 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sx4 h ALA 71 CO 0.17 0.44 -0.12 1.96 0.00 0.00 0.00 179.25 181.69 1sx4 h GLN 72 N 0.92 0.09 -0.35 0.00 1.08 0.20 -2.13 115.11 114.91 1sx4 h GLN 72 Ca 0.22 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 1sx4 h GLN 72 Cb 0.16 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1sx4 h GLN 72 CO -0.02 0.21 -0.10 0.52 -0.95 0.00 0.00 178.83 178.49 1sx4 h MET 73 N 0.08 0.69 -0.14 1.46 2.86 -0.24 -1.67 114.93 117.97 1sx4 h MET 73 Ca 0.02 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1sx4 h MET 73 Cb 0.27 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1sx4 h MET 73 CO 0.02 0.85 -0.02 0.28 1.06 0.00 0.00 176.91 179.10 1sx4 h VAL 74 N 0.48 1.28 -0.88 -2.22 2.07 -0.89 -2.07 116.25 114.02 1sx4 h VAL 74 Ca 0.09 -0.94 0.23 0.00 0.82 0.00 0.00 66.70 66.90 1sx4 h VAL 74 Cb 0.61 1.62 -0.15 0.00 -1.52 0.00 0.00 31.29 31.85 1sx4 h VAL 74 CO 0.04 0.27 0.18 0.11 0.02 0.00 0.00 177.57 178.19 1sx4 h LYS 75 N -0.03 0.15 -0.67 1.57 1.57 -1.43 -0.76 116.57 116.97 1sx4 h LYS 75 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1sx4 h LYS 75 Cb 0.43 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1sx4 h LYS 75 CO 0.01 0.10 0.31 1.49 -0.57 0.00 0.00 179.45 180.79 1sx4 h GLU 76 N 0.16 0.97 0.05 3.15 4.81 -0.57 0.10 114.58 123.25 1sx4 h GLU 76 Ca 0.54 -0.15 -0.31 0.00 -0.13 0.00 0.00 59.36 59.32 1sx4 h GLU 76 Cb 1.09 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1sx4 h GLU 76 CO -0.70 0.78 -1.68 -0.24 -0.73 0.00 0.00 179.01 176.44 1sx4 h VAL 77 N 0.93 0.92 -0.61 0.32 3.04 -1.26 -2.79 116.25 116.80 1sx4 h VAL 77 Ca 0.23 -2.69 -0.08 0.00 -1.01 0.00 0.00 66.70 63.14 1sx4 h VAL 77 Cb 0.14 2.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 1sx4 h VAL 77 CO -0.03 0.69 0.05 0.00 -1.01 0.00 0.00 177.57 177.27 1sx4 h ALA 78 N 0.68 0.93 -0.83 3.17 0.00 -0.97 -1.54 119.26 120.70 1sx4 h ALA 78 Ca -0.29 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1sx4 h ALA 78 Cb 2.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1sx4 h ALA 78 CO 0.10 0.65 0.54 1.03 0.00 0.00 0.00 179.25 181.57 1sx4 h SER 79 N 0.96 0.96 -0.85 0.00 0.87 -0.72 -2.52 113.55 112.25 1sx4 h SER 79 Ca 0.18 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1sx4 h SER 79 Cb 0.49 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1sx4 h SER 79 CO 0.02 0.70 0.55 0.11 -0.53 0.00 0.00 176.83 177.68 1sx4 h LYS 80 N 1.12 1.05 -0.29 2.24 1.57 -1.19 0.15 116.57 121.22 1sx4 h LYS 80 Ca 0.30 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1sx4 h LYS 80 Cb -0.11 -0.24 -0.08 0.00 0.08 0.00 0.00 32.23 31.88 1sx4 h LYS 80 CO -0.06 0.69 -0.52 0.00 -0.57 0.00 0.00 179.45 178.99 1sx4 h ALA 81 N 1.35 -0.75 -0.93 3.86 0.00 -0.85 0.26 119.26 122.20 1sx4 h ALA 81 Ca 0.34 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1sx4 h ALA 81 Cb -0.01 1.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 81 CO -0.11 -1.03 0.59 -0.97 0.00 0.00 0.00 179.25 177.73 1sx4 h ASN 82 N -0.46 0.78 -0.96 0.00 -0.73 -1.36 -0.98 115.58 111.86 1sx4 h ASN 82 Ca 0.07 0.04 0.10 0.00 1.87 0.00 0.00 56.30 58.38 1sx4 h ASN 82 Cb 0.63 -0.12 -0.08 0.00 0.27 0.00 0.00 38.32 39.02 1sx4 h ASN 82 CO -0.52 0.42 0.60 0.44 -0.37 0.00 0.00 177.43 177.99 1sx4 h ASP 83 N 0.84 0.90 0.08 1.15 3.32 0.23 -0.17 116.42 122.77 1sx4 h ASP 83 Ca 0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1sx4 h ASP 83 Cb 0.57 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1sx4 h ASP 83 CO -0.22 0.50 -0.39 0.00 -1.72 0.00 0.00 179.24 177.41 1sx4 n ALA 84 N -2.36 3.37 0.00 3.45 0.00 0.40 -4.58 120.51 120.80 1sx4 n ALA 84 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1sx4 n ALA 84 Cb 0.30 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.28 0.98 -0.74 0.00 0.00 -0.87 -5.01 120.51 114.59 1sx4 n ALA 85 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1sx4 n ALA 85 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 1.08 0.60 0.00 0.00 0.00 -0.11 -4.71 105.19 102.05 1sx4 n GLY 86 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sx4 n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sx4 n ASP 87 N 0.56 0.00 0.00 1.61 2.03 -1.25 -4.96 116.55 114.53 1sx4 n ASP 87 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sx4 n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1sx4 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sx4 n GLY 88 N -0.17 2.65 0.09 0.27 0.00 -1.26 -3.78 105.19 102.99 1sx4 n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sx4 n GLY 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sx4 n THR 89 N -1.49 -0.12 -0.04 2.61 -1.04 -1.26 0.82 114.28 113.75 1sx4 n THR 89 Ca 0.00 0.58 -0.14 0.00 -2.04 0.00 0.00 64.05 62.45 1sx4 n THR 89 Cb 0.00 -0.77 -0.09 0.00 -1.82 0.00 0.00 70.33 67.65 1sx4 n THR 89 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1sx4 h THR 90 N 0.00 1.40 -0.16 12.58 2.02 -1.92 -2.52 112.91 124.31 1sx4 h THR 90 Ca 0.09 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 65.87 1sx4 h THR 90 Cb 0.16 2.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1sx4 h THR 90 CO -0.25 0.41 -0.17 0.74 0.37 0.00 0.00 175.52 176.62 1sx4 h THR 91 N -0.21 0.55 -0.43 3.16 2.02 -0.31 -0.26 112.91 117.42 1sx4 h THR 91 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1sx4 h THR 91 Cb 0.74 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 1sx4 h THR 91 CO 0.04 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 1sx4 h ALA 92 N 0.88 0.31 -0.78 6.16 0.00 0.38 -0.56 119.26 125.65 1sx4 h ALA 92 Ca 0.11 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1sx4 h ALA 92 Cb 0.36 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1sx4 h ALA 92 CO -0.28 -0.44 0.39 1.15 0.00 0.00 0.00 179.25 180.07 1sx4 h THR 93 N 0.02 0.79 -0.70 0.00 2.02 -0.96 0.11 112.91 114.19 1sx4 h THR 93 Ca 0.21 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1sx4 h THR 93 Cb 0.32 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1sx4 h THR 93 CO -0.43 0.11 0.37 0.58 0.37 0.00 0.00 175.52 176.52 1sx4 h VAL 94 N 0.61 1.21 0.19 3.16 2.07 0.42 -2.07 116.25 121.84 1sx4 h VAL 94 Ca 0.40 -0.55 -0.31 0.00 0.82 0.00 0.00 66.70 67.07 1sx4 h VAL 94 Cb 0.50 0.28 0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1sx4 h VAL 94 CO -0.32 0.24 -1.35 -0.07 0.02 0.00 0.00 177.57 176.09 1sx4 h LEU 95 N 0.97 0.70 -0.66 2.57 3.38 -0.84 -2.65 115.31 118.78 1sx4 h LEU 95 Ca 0.25 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1sx4 h LEU 95 Cb 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1sx4 h LEU 95 CO -0.04 1.56 0.41 0.00 0.09 0.00 0.00 178.44 180.46 1sx4 h ALA 96 N 0.34 0.86 -0.23 1.53 0.00 -0.59 0.14 119.26 121.30 1sx4 h ALA 96 Ca -0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sx4 h ALA 96 Cb 2.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1sx4 h ALA 96 CO 0.24 0.16 0.12 0.37 0.00 0.00 0.00 179.25 180.15 1sx4 h GLN 97 N 0.80 0.25 -0.47 0.00 4.15 -1.41 -1.90 115.11 116.54 1sx4 h GLN 97 Ca 0.27 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.71 1sx4 h GLN 97 Cb 0.03 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1sx4 h GLN 97 CO -0.11 0.17 0.24 0.00 -1.93 0.00 0.00 178.83 177.20 1sx4 h ALA 98 N 1.11 0.59 0.38 3.38 0.00 -0.64 0.26 119.26 124.33 1sx4 h ALA 98 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1sx4 h ALA 98 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sx4 h ALA 98 CO -0.05 -0.10 -0.18 0.82 0.00 0.00 0.00 179.25 179.74 1sx4 h ILE 99 N 0.48 0.56 -0.97 0.00 2.04 -1.16 -3.20 117.51 115.25 1sx4 h ILE 99 Ca 0.20 -0.53 0.24 0.00 1.00 0.00 0.00 64.86 65.77 1sx4 h ILE 99 Cb 0.09 0.79 -0.13 0.00 -0.74 0.00 0.00 36.82 36.84 1sx4 h ILE 99 CO -0.13 0.09 0.53 0.40 0.00 0.00 0.00 178.15 179.04 1sx4 h ILE 100 N -0.85 0.51 0.03 -0.67 2.04 -0.61 0.10 117.51 118.07 1sx4 h ILE 100 Ca -0.05 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1sx4 h ILE 100 Cb 0.54 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1sx4 h ILE 100 CO 0.09 0.09 -0.02 0.74 0.00 0.00 0.00 178.15 179.05 1sx4 h THR 101 N 0.51 1.18 0.18 -0.27 2.02 -0.52 -1.36 112.91 114.65 1sx4 h THR 101 Ca 0.62 -0.67 -0.27 0.00 0.77 0.00 0.00 66.41 66.86 1sx4 h THR 101 Cb 1.19 1.63 0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1sx4 h THR 101 CO -0.50 0.17 -1.15 -0.33 0.37 0.00 0.00 175.52 174.08 1sx4 h GLU 102 N -0.34 0.46 -0.96 6.66 4.39 -1.30 -2.02 114.58 121.48 1sx4 h GLU 102 Ca -0.00 -0.74 0.01 0.00 0.34 0.00 0.00 59.36 58.97 1sx4 h GLU 102 Cb 0.32 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 1sx4 h GLU 102 CO 0.01 1.34 0.64 0.78 -1.16 0.00 0.00 179.01 180.62 1sx4 h GLY 103 N -0.04 1.35 2.00 -3.84 0.00 -0.89 -1.08 103.07 100.57 1sx4 h GLY 103 Ca -0.20 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 1sx4 h GLY 103 CO 0.22 0.49 -0.48 -2.00 0.00 0.00 0.00 176.54 174.77 1sx4 h LEU 104 N 1.30 0.00 -0.13 3.11 5.85 -1.21 -1.19 115.31 123.05 1sx4 h LEU 104 Ca 0.35 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 1sx4 h LEU 104 Cb -0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1sx4 h LEU 104 CO -0.08 0.48 -0.14 0.11 -0.34 0.00 0.00 178.44 178.48 1sx4 h LYS 105 N 0.00 0.32 -0.32 1.25 1.57 -1.03 -3.12 116.57 115.24 1sx4 h LYS 105 Ca -0.00 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1sx4 h LYS 105 Cb 1.33 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 1sx4 h LYS 105 CO 0.06 0.72 -0.10 0.00 -0.57 0.00 0.00 179.45 179.57 1sx4 h ALA 106 N 0.59 0.19 -0.87 3.86 0.00 -0.06 -1.03 119.26 121.93 1sx4 h ALA 106 Ca 0.02 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1sx4 h ALA 106 Cb 0.67 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1sx4 h ALA 106 CO 0.03 -0.48 0.57 -0.39 0.00 0.00 0.00 179.25 178.98 1sx4 h VAL 107 N -0.02 1.04 0.00 0.00 -1.51 -1.37 0.96 116.25 115.34 1sx4 h VAL 107 Ca 0.16 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1sx4 h VAL 107 Cb 0.27 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 1sx4 h VAL 107 CO -0.35 0.17 0.00 0.00 -1.23 0.00 0.00 177.57 176.17 1sx4 h ALA 108 N 1.53 1.00 0.00 5.19 0.00 -1.34 -0.68 119.26 124.97 1sx4 h ALA 108 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1sx4 h ALA 108 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sx4 h ALA 108 CO -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 178.86 1sx4 h ALA 109 N 2.18 0.84 0.00 0.00 0.00 0.48 -3.48 119.26 119.29 1sx4 h ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 109 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sx4 h ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sx4 n GLY 110 N 1.30 1.80 4.01 0.00 0.00 -0.26 -5.09 105.19 106.95 1sx4 n GLY 110 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1sx4 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 111 N -0.79 2.59 -0.40 1.61 -1.94 -1.02 -5.04 119.30 114.32 1sx4 s MET 111 Ca 0.00 -1.44 -0.22 0.00 -1.71 0.00 0.00 55.69 52.32 1sx4 s MET 111 Cb 0.00 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.17 1sx4 s MET 111 CO 0.00 -0.52 0.73 1.21 -0.01 0.00 0.00 175.02 176.43 1sx4 s ASN 112 N -4.48 6.46 0.30 3.03 3.84 -1.26 -4.44 114.94 118.39 1sx4 s ASN 112 Ca 0.57 0.09 0.05 0.00 0.21 0.00 0.00 52.86 53.78 1sx4 s ASN 112 Cb -0.08 -2.37 0.69 0.00 -0.55 0.00 0.00 41.25 38.94 1sx4 s ASN 112 CO 0.35 -0.76 1.80 -0.65 -2.79 0.00 0.00 177.10 175.05 1sx4 h PRO 113 N 8.67 0.81 -0.56 0.43 0.11 -1.92 -2.47 132.00 137.06 1sx4 h PRO 113 Ca -0.25 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1sx4 h PRO 113 Cb 1.10 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1sx4 h PRO 113 CO 0.91 0.54 -0.05 1.98 -0.21 0.00 0.00 178.00 181.17 1sx4 h MET 114 N 0.84 1.01 -0.32 1.05 4.05 -1.93 -1.13 114.93 118.51 1sx4 h MET 114 Ca 0.55 -0.34 -0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1sx4 h MET 114 Cb 0.77 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1sx4 h MET 114 CO -0.33 1.02 -0.28 -0.44 0.23 0.00 0.00 176.91 177.11 1sx4 h ASP 115 N 0.92 0.66 -0.17 1.39 3.32 -1.86 -2.46 116.42 118.22 1sx4 h ASP 115 Ca 0.16 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1sx4 h ASP 115 Cb 0.60 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1sx4 h ASP 115 CO 0.04 0.91 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.36 1sx4 h LEU 116 N 0.56 0.33 0.07 1.55 3.38 -0.88 -1.28 115.31 119.04 1sx4 h LEU 116 Ca 0.07 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1sx4 h LEU 116 Cb 0.76 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1sx4 h LEU 116 CO 0.06 0.61 -0.42 0.50 0.09 0.00 0.00 178.44 179.28 1sx4 h LYS 117 N 0.04 -0.60 -0.56 1.13 3.64 -1.25 -1.81 116.57 117.17 1sx4 h LYS 117 Ca 0.04 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1sx4 h LYS 117 Cb 0.47 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1sx4 h LYS 117 CO 0.02 -0.40 -0.33 -2.13 -2.27 0.00 0.00 179.45 174.34 1sx4 n ARG 118 N -5.46 -0.24 -0.15 1.90 0.63 -0.83 -0.14 116.66 112.37 1sx4 n ARG 118 Ca -0.07 1.22 -0.05 0.00 -0.92 0.00 0.00 57.85 58.03 1sx4 n ARG 118 Cb 0.38 -1.81 -0.04 0.00 0.45 0.00 0.00 32.46 31.44 1sx4 n ARG 118 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1sx4 h GLY 119 N 0.00 -1.83 -0.82 5.14 0.00 -1.10 0.29 103.07 104.76 1sx4 h GLY 119 Ca 0.09 0.96 0.11 0.00 0.00 0.00 0.00 47.33 48.49 1sx4 h GLY 119 CO -0.52 -0.55 -0.47 -2.22 0.00 0.00 0.00 176.54 172.78 1sx4 h ILE 120 N -0.04 0.03 -0.45 2.60 2.04 -0.87 -0.04 117.51 120.78 1sx4 h ILE 120 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1sx4 h ILE 120 Cb 0.20 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1sx4 h ILE 120 CO -0.37 0.00 0.31 0.44 0.00 0.00 0.00 178.15 178.53 1sx4 h ASP 121 N -0.09 0.24 0.39 1.72 3.32 0.90 0.15 116.42 123.05 1sx4 h ASP 121 Ca 0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1sx4 h ASP 121 Cb 0.53 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1sx4 h ASP 121 CO -0.87 0.15 -0.19 0.50 -1.72 0.00 0.00 179.24 177.12 1sx4 h LYS 122 N 0.27 -0.51 -0.88 3.56 3.64 0.54 -1.31 116.57 121.88 1sx4 h LYS 122 Ca 0.21 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.84 1sx4 h LYS 122 Cb 0.46 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.27 1sx4 h LYS 122 CO -0.04 -0.20 0.36 0.00 -2.27 0.00 0.00 179.45 177.29 1sx4 h ALA 123 N -0.70 1.38 0.41 5.00 0.00 -0.17 0.23 119.26 125.41 1sx4 h ALA 123 Ca -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 123 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sx4 h ALA 123 CO 0.09 -0.36 -0.20 0.28 0.00 0.00 0.00 179.25 179.07 1sx4 h VAL 124 N 0.37 0.55 -0.98 0.00 2.07 -0.66 -1.89 116.25 115.72 1sx4 h VAL 124 Ca 0.55 -0.43 0.32 0.00 0.82 0.00 0.00 66.70 67.96 1sx4 h VAL 124 Cb 1.04 0.75 -0.16 0.00 -1.52 0.00 0.00 31.29 31.40 1sx4 h VAL 124 CO -0.54 0.07 0.44 0.74 0.02 0.00 0.00 177.57 178.31 1sx4 h THR 125 N -0.81 0.20 0.19 2.57 2.02 0.07 0.60 112.91 117.74 1sx4 h THR 125 Ca -0.06 -0.06 -0.32 0.00 0.77 0.00 0.00 66.41 66.74 1sx4 h THR 125 Cb 0.54 -0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1sx4 h THR 125 CO 0.09 0.03 -1.49 0.00 0.37 0.00 0.00 175.52 174.52 1sx4 h ALA 126 N 1.89 0.04 0.10 6.16 0.00 -0.88 -2.58 119.26 123.98 1sx4 h ALA 126 Ca 0.72 -0.97 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 1sx4 h ALA 126 Cb 1.67 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.68 1sx4 h ALA 126 CO -0.69 0.91 -1.16 0.00 0.00 0.00 0.00 179.25 178.31 1sx4 h ALA 127 N 0.31 0.15 -0.29 0.00 0.00 -0.11 -1.31 119.26 118.01 1sx4 h ALA 127 Ca -0.24 -0.80 0.07 0.00 0.00 0.00 0.00 54.91 53.93 1sx4 h ALA 127 Cb 2.08 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.84 1sx4 h ALA 127 CO 0.22 0.84 -0.19 0.28 0.00 0.00 0.00 179.25 180.40 1sx4 h VAL 128 N 0.17 0.46 -0.51 0.00 2.07 0.18 0.50 116.25 119.12 1sx4 h VAL 128 Ca -0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1sx4 h VAL 128 Cb 1.84 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 1sx4 h VAL 128 CO 0.20 0.00 -0.55 -0.08 0.02 0.00 0.00 177.57 177.16 1sx4 h GLU 129 N -0.17 -0.32 -0.69 1.57 4.57 -1.39 -1.76 114.58 116.40 1sx4 h GLU 129 Ca 0.15 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.49 1sx4 h GLU 129 Cb 0.40 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.97 1sx4 h GLU 129 CO -0.39 -0.21 0.19 0.93 -1.18 0.00 0.00 179.01 178.35 1sx4 h GLU 130 N -0.33 0.30 -0.95 1.92 4.39 0.29 1.13 114.58 121.33 1sx4 h GLU 130 Ca 0.10 -0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.00 1sx4 h GLU 130 Cb 0.57 -0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.03 1sx4 h GLU 130 CO -0.65 0.20 0.50 -0.07 -1.16 0.00 0.00 179.01 177.83 1sx4 h LEU 131 N 0.31 0.53 -1.30 1.33 4.07 0.32 -0.41 115.31 120.16 1sx4 h LEU 131 Ca 0.38 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.44 1sx4 h LEU 131 Cb 0.60 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1sx4 h LEU 131 CO -0.45 0.08 0.10 0.11 -1.08 0.00 0.00 178.44 177.20 1sx4 h LYS 132 N 0.52 0.58 -0.11 1.13 1.57 0.22 -0.76 116.57 119.71 1sx4 h LYS 132 Ca 0.59 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 59.05 1sx4 h LYS 132 Cb 1.10 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1sx4 h LYS 132 CO -0.48 0.53 -0.82 0.00 -0.57 0.00 0.00 179.45 178.10 1sx4 h ALA 133 N 1.55 0.33 -0.06 3.86 0.00 -0.79 -3.19 119.26 120.96 1sx4 h ALA 133 Ca 0.13 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1sx4 h ALA 133 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sx4 h ALA 133 CO -0.00 0.70 -0.66 1.25 0.00 0.00 0.00 179.25 180.54 1sx4 h LEU 134 N 0.46 0.30 -9.21 0.00 5.85 -0.77 -3.46 115.31 108.49 1sx4 h LEU 134 Ca -0.06 -0.18 -0.71 0.00 0.84 0.00 0.00 57.88 57.76 1sx4 h LEU 134 Cb 1.45 -0.09 0.04 0.00 0.37 0.00 0.00 40.66 42.43 1sx4 h LEU 134 CO 0.16 0.87 0.60 -0.24 -0.34 0.00 0.00 178.44 179.49 1sx4 n SER 135 N -3.84 1.82 -4.62 1.25 2.88 -0.32 -4.91 113.62 105.87 1sx4 n SER 135 Ca -0.03 1.11 -0.37 0.00 -1.33 0.00 0.00 58.87 58.25 1sx4 n SER 135 Cb 0.65 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 62.86 1sx4 n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sx4 s VAL 136 N 1.62 5.27 0.80 2.46 1.01 -0.53 -4.93 120.40 126.11 1sx4 s VAL 136 Ca 0.90 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 1sx4 s VAL 136 Cb -1.03 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1sx4 s VAL 136 CO 0.55 0.31 1.17 -2.84 0.00 0.00 0.00 175.10 174.29 1sx4 s PRO 137 N 1.35 1.73 -0.25 2.72 0.02 -1.26 -1.96 135.00 137.35 1sx4 s PRO 137 Ca 0.07 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 62.69 1sx4 s PRO 137 Cb -0.15 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1sx4 s PRO 137 CO 0.07 -2.12 0.07 0.00 -0.33 0.00 0.00 177.00 174.69 1sx4 n SER 139 N 4.98 1.59 -4.82 0.00 2.88 -1.26 -4.28 113.62 112.72 1sx4 n SER 139 Ca -0.06 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 1sx4 n SER 139 Cb 0.45 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1sx4 s ASP 140 N -4.37 5.25 0.29 -3.46 1.47 -1.26 -4.81 116.67 109.77 1sx4 s ASP 140 Ca 0.00 1.51 0.03 0.00 1.18 0.00 0.00 52.55 55.27 1sx4 s ASP 140 Cb 0.00 -2.37 0.68 0.00 -0.34 0.00 0.00 42.92 40.89 1sx4 s ASP 140 CO 0.00 -1.51 1.74 0.28 0.68 0.00 0.00 175.17 176.36 1sx4 h SER 141 N -0.77 0.56 0.01 2.11 0.02 -1.99 -0.25 113.55 113.24 1sx4 h SER 141 Ca -0.45 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1sx4 h SER 141 Cb 1.22 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 1sx4 h SER 141 CO 0.58 0.16 -0.37 0.50 -1.14 0.00 0.00 176.83 176.56 1sx4 h LYS 142 N 0.60 -0.52 -0.48 3.45 3.64 -1.99 -1.68 116.57 119.59 1sx4 h LYS 142 Ca 0.54 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.92 1sx4 h LYS 142 Cb 0.89 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1sx4 h LYS 142 CO -0.42 -0.34 0.14 0.00 -2.27 0.00 0.00 179.45 176.55 1sx4 h ALA 143 N 0.09 1.34 0.12 5.00 0.00 -1.59 -0.54 119.26 123.67 1sx4 h ALA 143 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sx4 h ALA 143 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sx4 h ALA 143 CO -0.29 0.48 -0.06 0.82 0.00 0.00 0.00 179.25 180.20 1sx4 h ILE 144 N 0.70 0.90 -0.60 0.00 1.08 -0.89 -1.02 117.51 117.68 1sx4 h ILE 144 Ca 0.16 -0.05 -0.10 0.00 -0.39 0.00 0.00 64.86 64.48 1sx4 h ILE 144 Cb 0.23 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1sx4 h ILE 144 CO -0.01 0.01 -0.01 0.00 -0.69 0.00 0.00 178.15 177.45 1sx4 h ALA 145 N 0.69 0.84 -0.47 1.87 0.00 -0.96 -1.72 119.26 119.51 1sx4 h ALA 145 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sx4 h ALA 145 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sx4 h ALA 145 CO 0.03 0.67 0.00 0.94 0.00 0.00 0.00 179.25 180.89 1sx4 n GLN 146 N -4.17 0.00 -0.09 0.00 -0.06 -0.24 0.14 117.38 112.95 1sx4 n GLN 146 Ca 0.03 0.82 -0.00 0.00 -2.00 0.00 0.00 57.00 55.85 1sx4 n GLN 146 Cb 0.35 -1.42 0.27 0.00 -4.06 0.00 0.00 30.24 25.38 1sx4 n GLN 146 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 1sx4 h VAL 147 N 0.00 1.19 0.34 1.69 -1.51 -0.98 -1.95 116.25 115.02 1sx4 h VAL 147 Ca 0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1sx4 h VAL 147 Cb 0.00 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 29.72 1sx4 h VAL 147 CO 0.00 0.24 -0.41 1.23 -1.23 0.00 0.00 177.57 177.39 1sx4 h GLY 148 N 0.88 -0.95 0.63 5.19 0.00 -1.20 0.16 103.07 107.77 1sx4 h GLY 148 Ca 0.18 0.48 0.05 0.00 0.00 0.00 0.00 47.33 48.04 1sx4 h GLY 148 CO -0.02 -0.31 0.13 -0.91 0.00 0.00 0.00 176.54 175.43 1sx4 h THR 149 N -0.79 0.87 -0.70 4.70 1.35 0.27 0.40 112.91 119.01 1sx4 h THR 149 Ca -0.02 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1sx4 h THR 149 Cb 0.73 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 1sx4 h THR 149 CO -0.11 0.05 0.43 0.40 -0.25 0.00 0.00 175.52 176.04 1sx4 h ILE 150 N 0.28 1.20 0.00 6.82 2.04 -1.28 -1.75 117.51 124.82 1sx4 h ILE 150 Ca 0.18 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1sx4 h ILE 150 Cb 0.17 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1sx4 h ILE 150 CO -0.20 0.20 0.00 -0.24 0.00 0.00 0.00 178.15 177.92 1sx4 n SER 151 N -4.55 0.65 -1.03 1.72 2.88 0.54 -1.06 113.62 112.77 1sx4 n SER 151 Ca 0.06 0.64 0.02 0.00 -1.33 0.00 0.00 58.87 58.27 1sx4 n SER 151 Cb 0.05 -0.79 0.23 0.00 -0.75 0.00 0.00 64.21 62.95 1sx4 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sx4 n ALA 152 N -1.76 3.62 -2.45 -1.46 0.00 0.05 -4.39 120.51 114.13 1sx4 n ALA 152 Ca 0.03 -2.69 -0.00 0.00 0.00 0.00 0.00 53.44 50.77 1sx4 n ALA 152 Cb 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.82 -5.56 -0.18 0.00 4.05 -0.22 -3.66 115.26 108.86 1sx4 n ASN 153 Ca 0.28 -0.02 -0.02 0.00 0.45 0.00 0.00 54.58 55.27 1sx4 n ASN 153 Cb 0.98 -3.64 -0.01 0.00 1.23 0.00 0.00 39.78 38.33 1sx4 n ASN 153 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1sx4 n SER 154 N -1.41 -3.77 -4.49 1.20 7.64 -0.82 -4.90 113.62 107.07 1sx4 n SER 154 Ca 0.00 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1sx4 n SER 154 Cb 0.49 -2.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.11 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 -1.38 6.28 0.49 6.43 -1.08 -1.23 -4.91 116.67 121.27 1sx4 s ASP 155 Ca 0.00 -0.61 0.22 0.00 -0.52 0.00 0.00 52.55 51.64 1sx4 s ASP 155 Cb 0.00 -2.36 1.26 0.00 -1.46 0.00 0.00 42.92 40.37 1sx4 s ASP 155 CO 0.00 -1.02 2.03 -0.33 0.52 0.00 0.00 175.17 176.37 1sx4 h GLU 156 N 9.11 0.00 0.00 4.34 5.08 -1.90 -2.74 114.58 128.47 1sx4 h GLU 156 Ca -0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1sx4 h GLU 156 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1sx4 h GLU 156 CO 1.01 0.16 -0.55 1.79 -1.00 0.00 0.00 179.01 180.41 1sx4 h THR 157 N 0.00 1.27 -0.11 1.13 1.35 -1.98 -2.32 112.91 112.25 1sx4 h THR 157 Ca -0.00 -1.98 -0.03 0.00 -0.55 0.00 0.00 66.41 63.84 1sx4 h THR 157 Cb 0.35 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1sx4 h THR 157 CO 0.02 0.54 -0.05 0.58 -0.25 0.00 0.00 175.52 176.36 1sx4 h VAL 158 N 0.00 1.32 -0.47 6.82 2.07 -1.86 -2.17 116.25 121.95 1sx4 h VAL 158 Ca -0.01 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.54 1sx4 h VAL 158 Cb 1.07 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.54 1sx4 h VAL 158 CO 0.07 0.30 -0.15 1.23 0.02 0.00 0.00 177.57 179.05 1sx4 h GLY 159 N -0.13 0.28 0.24 2.17 0.00 -1.50 -2.50 103.07 101.63 1sx4 h GLY 159 Ca 0.02 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1sx4 h GLY 159 CO 0.02 -0.19 -0.48 1.70 0.00 0.00 0.00 176.54 177.58 1sx4 h LYS 160 N -0.03 -0.73 -0.84 4.80 3.64 -1.39 -1.65 116.57 120.37 1sx4 h LYS 160 Ca 0.23 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.77 1sx4 h LYS 160 Cb 0.38 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1sx4 h LYS 160 CO -0.51 -0.48 0.55 -0.07 -2.27 0.00 0.00 179.45 176.67 1sx4 h LEU 161 N -0.75 0.68 0.57 5.20 4.07 -1.03 0.41 115.31 124.46 1sx4 h LEU 161 Ca -0.00 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1sx4 h LEU 161 Cb 0.75 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 42.38 1sx4 h LEU 161 CO -0.24 0.39 -0.28 0.40 -1.08 0.00 0.00 178.44 177.63 1sx4 h ILE 162 N 0.75 0.00 -0.96 1.22 2.04 -1.38 -1.74 117.51 117.43 1sx4 h ILE 162 Ca 0.40 -0.41 0.28 0.00 1.00 0.00 0.00 64.86 66.13 1sx4 h ILE 162 Cb 0.53 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.43 1sx4 h ILE 162 CO -0.17 0.00 0.06 0.00 0.00 0.00 0.00 178.15 178.05 1sx4 n ALA 163 N -2.70 0.54 -0.15 1.87 0.00 -0.63 -0.61 120.51 118.82 1sx4 n ALA 163 Ca -0.10 1.03 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 1sx4 n ALA 163 Cb 0.30 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1sx4 n ALA 163 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sx4 h GLU 164 N 0.00 0.87 0.72 0.00 5.08 -0.14 -1.47 114.58 119.64 1sx4 h GLU 164 Ca 0.61 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1sx4 h GLU 164 Cb 1.29 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1sx4 h GLU 164 CO -0.89 0.98 -0.34 0.00 -1.00 0.00 0.00 179.01 177.75 1sx4 h ALA 165 N 0.87 -0.96 -0.97 3.43 0.00 0.08 -2.14 119.26 119.57 1sx4 h ALA 165 Ca 0.11 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 165 Cb 0.66 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1sx4 h ALA 165 CO 0.05 -1.00 0.54 0.52 0.00 0.00 0.00 179.25 179.36 1sx4 h MET 166 N -1.05 0.57 -0.16 0.00 2.86 -1.19 0.64 114.93 116.61 1sx4 h MET 166 Ca -0.10 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1sx4 h MET 166 Cb 0.76 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1sx4 h MET 166 CO 0.16 0.38 0.17 0.22 1.06 0.00 0.00 176.91 178.90 1sx4 h ASP 167 N 0.59 0.00 0.00 1.22 3.58 -1.03 0.51 116.42 121.28 1sx4 h ASP 167 Ca 0.60 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.68 1sx4 h ASP 167 Cb 1.07 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.05 1sx4 h ASP 167 CO -0.46 0.00 -2.39 0.29 -2.88 0.00 0.00 179.24 173.80 1sx4 n LYS 168 N -3.81 0.61 0.00 0.28 5.02 0.22 -4.66 118.16 115.81 1sx4 n LYS 168 Ca 0.01 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1sx4 n LYS 168 Cb 0.29 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1sx4 n LYS 168 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1sx4 n VAL 169 N -3.25 0.00 0.00 -0.18 3.14 -0.70 -5.11 118.33 112.23 1sx4 n VAL 169 Ca -0.43 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1sx4 n VAL 169 Cb 0.96 1.10 0.00 0.00 -1.06 0.00 0.00 33.84 34.84 1sx4 n VAL 169 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sx4 n GLY 170 N 0.84 1.69 0.09 7.55 0.00 0.18 -3.18 105.19 112.37 1sx4 n GLY 170 Ca 0.04 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.16 1sx4 n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sx4 n LYS 171 N 1.61 0.13 -0.00 1.61 5.02 -1.25 -3.21 118.16 122.07 1sx4 n LYS 171 Ca 0.00 0.40 -0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1sx4 n LYS 171 Cb 0.00 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1sx4 n LYS 171 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1sx4 h GLU 172 N 0.00 0.00 0.00 1.97 3.07 -1.92 -3.50 114.58 114.21 1sx4 h GLU 172 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sx4 h GLU 172 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1sx4 h GLU 172 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1sx4 n GLY 173 N 1.87 0.00 3.63 -3.84 0.00 -1.19 -4.71 105.19 100.95 1sx4 n GLY 173 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sx4 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx4 s VAL 174 N 0.00 3.72 -0.21 1.61 1.01 -1.26 -4.89 120.40 120.37 1sx4 s VAL 174 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 1sx4 s VAL 174 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1sx4 s VAL 174 CO 0.00 -0.29 -0.12 -0.63 0.00 0.00 0.00 175.10 174.05 1sx4 s ILE 175 N 5.12 2.58 0.37 2.22 1.01 -1.26 0.08 121.20 131.32 1sx4 s ILE 175 Ca 0.71 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.55 1sx4 s ILE 175 Cb -0.25 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 1sx4 s ILE 175 CO 0.29 0.40 0.00 0.42 0.00 0.00 0.00 174.94 176.04 1sx4 s THR 176 N 1.33 2.29 -0.06 2.92 -4.23 -0.22 -4.97 115.64 112.70 1sx4 s THR 176 Ca 0.03 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1sx4 s THR 176 Cb -0.15 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1sx4 s THR 176 CO -0.08 -0.12 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.95 1sx4 s VAL 177 N -2.61 2.18 0.26 2.29 1.01 -1.26 -0.33 120.40 121.94 1sx4 s VAL 177 Ca 0.35 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1sx4 s VAL 177 Cb 0.04 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 1sx4 s VAL 177 CO 0.19 0.57 -0.12 -1.61 0.00 0.00 0.00 175.10 174.13 1sx4 s GLU 178 N -0.14 1.51 0.27 2.72 2.02 -0.09 -4.94 118.70 120.04 1sx4 s GLU 178 Ca -0.04 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 1sx4 s GLU 178 Cb -0.14 -1.29 -0.10 0.00 0.10 0.00 0.00 34.13 32.70 1sx4 s GLU 178 CO 0.04 0.15 1.46 -0.51 0.02 0.00 0.00 175.26 176.42 1sx4 s ASP 179 N -3.42 6.59 0.32 -0.19 1.11 -1.26 -2.32 116.67 117.50 1sx4 s ASP 179 Ca 0.27 2.74 -0.14 0.00 0.18 0.00 0.00 52.55 55.61 1sx4 s ASP 179 Cb 0.00 -2.63 -0.08 0.00 1.07 0.00 0.00 42.92 41.28 1sx4 s ASP 179 CO 0.11 -0.74 0.71 -0.83 1.18 0.00 0.00 175.17 175.61 1sx4 s GLY 180 N 0.28 2.27 -0.02 0.21 0.00 -0.50 -4.66 107.32 104.91 1sx4 s GLY 180 Ca 0.59 -0.04 0.15 0.00 0.00 0.00 0.00 44.72 45.42 1sx4 s GLY 180 CO 0.46 0.16 0.36 -1.30 0.00 0.00 0.00 173.10 172.78 1sx4 n THR 181 N -0.46 0.00 -1.70 0.90 -2.24 -1.26 -4.85 114.28 104.66 1sx4 n THR 181 Ca 0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1sx4 n THR 181 Cb 0.53 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1sx4 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx4 n GLY 182 N 1.63 4.01 0.03 3.38 0.00 -1.26 -5.02 105.19 107.97 1sx4 n GLY 182 Ca -0.02 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.25 1sx4 n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sx4 n LEU 183 N 0.00 0.43 -4.75 0.99 7.94 -1.26 -3.52 117.00 116.83 1sx4 n LEU 183 Ca 0.00 -0.01 -0.40 0.00 -1.11 0.00 0.00 56.01 54.49 1sx4 n LEU 183 Cb 0.00 -0.04 -0.05 0.00 0.53 0.00 0.00 43.42 43.86 1sx4 n LEU 183 CO 0.00 0.01 0.45 -1.10 -1.11 0.00 0.00 177.39 175.64 1sx4 s GLN 184 N -3.34 4.48 0.54 1.96 -1.52 -1.26 -3.35 119.66 117.18 1sx4 s GLN 184 Ca -0.02 1.04 -0.20 0.00 -1.95 0.00 0.00 55.36 54.24 1sx4 s GLN 184 Cb 0.14 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.53 1sx4 s GLN 184 CO 0.86 0.34 1.19 -0.51 -0.25 0.00 0.00 175.29 176.92 1sx4 s ASP 185 N -0.25 5.56 0.04 5.90 1.01 -1.26 -3.81 116.67 123.86 1sx4 s ASP 185 Ca 0.37 2.36 0.02 0.00 0.71 0.00 0.00 52.55 56.01 1sx4 s ASP 185 Cb -0.21 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.10 1sx4 s ASP 185 CO 0.23 -1.34 -0.07 -1.61 0.21 0.00 0.00 175.17 172.58 1sx4 s GLU 186 N -3.13 0.51 -0.13 8.23 2.02 -0.95 -4.94 118.70 120.31 1sx4 s GLU 186 Ca 0.72 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 1sx4 s GLU 186 Cb -0.29 -0.29 0.03 0.00 0.10 0.00 0.00 34.13 33.68 1sx4 s GLU 186 CO 0.33 0.05 -0.05 -1.17 0.02 0.00 0.00 175.26 174.45 1sx4 s LEU 187 N -1.44 1.22 -0.04 1.80 0.20 -1.26 -0.96 118.68 118.19 1sx4 s LEU 187 Ca -0.09 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.35 1sx4 s LEU 187 Cb -0.09 -0.78 0.01 0.00 -0.43 0.00 0.00 46.19 44.89 1sx4 s LEU 187 CO 0.00 -0.16 -0.11 -1.81 -0.29 0.00 0.00 176.35 173.98 1sx4 s ASP 188 N 1.74 1.58 0.19 3.68 1.01 -0.45 -5.00 116.67 119.42 1sx4 s ASP 188 Ca 0.03 -0.25 -0.18 0.00 0.71 0.00 0.00 52.55 52.86 1sx4 s ASP 188 Cb -0.14 -0.56 -0.08 0.00 1.01 0.00 0.00 42.92 43.16 1sx4 s ASP 188 CO -0.08 0.06 0.66 0.68 0.21 0.00 0.00 175.17 176.70 1sx4 s VAL 189 N 0.38 4.68 0.01 -1.27 -7.23 -1.26 -0.37 120.40 115.34 1sx4 s VAL 189 Ca -0.08 1.12 -0.21 0.00 -1.81 0.00 0.00 61.98 61.00 1sx4 s VAL 189 Cb -0.12 -3.81 0.04 0.00 0.56 0.00 0.00 36.38 33.05 1sx4 s VAL 189 CO 0.02 0.23 0.46 0.54 -0.31 0.00 0.00 175.10 176.04 1sx4 s VAL 190 N -1.49 0.04 0.31 1.32 0.11 -0.68 -4.97 120.40 115.04 1sx4 s VAL 190 Ca 0.41 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1sx4 s VAL 190 Cb -0.16 -0.88 -0.12 0.00 -1.53 0.00 0.00 36.38 33.68 1sx4 s VAL 190 CO 0.20 -0.18 1.35 -0.62 -3.33 0.00 0.00 175.10 172.52 1sx4 n GLU 191 N 0.75 2.16 0.00 1.54 -0.58 -1.26 -1.40 120.64 121.84 1sx4 n GLU 191 Ca -0.19 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1sx4 n GLU 191 Cb 0.58 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1sx4 n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sx4 n GLY 192 N 1.24 -0.65 0.00 0.62 0.00 -1.26 -1.28 105.19 103.86 1sx4 n GLY 192 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1sx4 n GLY 192 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sx4 n MET 193 N 0.00 0.00 -4.01 1.61 1.56 -1.00 -4.59 117.12 110.69 1sx4 n MET 193 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.29 1sx4 n MET 193 Cb 0.00 0.00 -0.14 0.00 2.15 0.00 0.00 33.22 35.23 1sx4 n MET 193 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1sx4 s GLN 194 N -2.00 0.21 0.01 2.12 0.74 -1.26 -0.28 119.66 119.20 1sx4 s GLN 194 Ca 0.00 -0.09 -0.00 0.00 0.05 0.00 0.00 55.36 55.32 1sx4 s GLN 194 Cb 0.00 -0.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.89 1sx4 s GLN 194 CO 0.00 0.05 -0.01 -0.59 -0.55 0.00 0.00 175.29 174.19 1sx4 s PHE 195 N -0.01 0.10 -0.81 1.67 -0.71 0.15 -5.00 117.98 113.37 1sx4 s PHE 195 Ca 0.01 -0.21 -0.10 0.00 -1.04 0.00 0.00 56.93 55.58 1sx4 s PHE 195 Cb -0.02 -0.08 -0.08 0.00 -1.21 0.00 0.00 43.02 41.64 1sx4 s PHE 195 CO -0.00 -0.08 1.98 -0.25 -1.34 0.00 0.00 175.22 175.53 1sx4 n ASP 196 N 2.48 3.88 -4.04 1.98 8.00 -1.26 -1.89 116.55 125.70 1sx4 n ASP 196 Ca -0.17 -2.41 -0.19 0.00 0.71 0.00 0.00 54.79 52.73 1sx4 n ASP 196 Cb 0.58 -1.06 -0.15 0.00 -0.02 0.00 0.00 41.12 40.47 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 4.02 0.79 0.38 -1.24 1.81 -1.18 -4.89 118.95 118.63 1sx4 s ARG 197 Ca 0.43 -0.36 0.08 0.00 -1.72 0.00 0.00 55.73 54.16 1sx4 s ARG 197 Cb 0.11 -0.76 -0.02 0.00 -0.45 0.00 0.00 34.95 33.83 1sx4 s ARG 197 CO 0.02 0.21 0.38 0.20 -0.68 0.00 0.00 175.30 175.43 1sx4 s GLY 198 N -0.25 1.93 0.49 -3.53 0.00 -1.25 -1.43 107.32 103.28 1sx4 s GLY 198 Ca 0.04 -1.73 -0.21 0.00 0.00 0.00 0.00 44.72 42.82 1sx4 s GLY 198 CO -0.00 -1.59 0.68 1.58 0.00 0.00 0.00 173.10 173.77 1sx4 n TYR 199 N -1.54 -0.06 1.04 1.90 0.18 -0.85 -4.35 117.16 113.48 1sx4 n TYR 199 Ca 0.02 0.52 0.12 0.00 1.88 0.00 0.00 57.90 60.44 1sx4 n TYR 199 Cb 0.60 -2.05 0.33 0.00 -0.38 0.00 0.00 39.34 37.85 1sx4 n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1sx4 n LEU 200 N 0.64 0.46 -3.65 -3.48 4.77 -0.93 -4.83 117.00 109.98 1sx4 n LEU 200 Ca 0.11 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1sx4 n LEU 200 Cb 0.43 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1sx4 n LEU 200 CO 0.53 0.11 0.30 -0.55 -1.33 0.00 0.00 177.39 176.45 1sx4 s SER 201 N -2.94 -0.80 0.65 -1.43 0.15 -1.26 -5.04 113.70 103.03 1sx4 s SER 201 Ca 0.13 1.36 0.37 0.00 0.70 0.00 0.00 55.95 58.51 1sx4 s SER 201 Cb 0.18 1.27 2.07 0.00 -1.71 0.00 0.00 66.02 67.83 1sx4 s SER 201 CO 0.65 -0.23 2.21 -0.65 1.20 0.00 0.00 173.24 176.42 1sx4 h PRO 202 N 6.53 0.00 0.00 5.44 0.11 -2.01 -1.31 132.00 140.77 1sx4 h PRO 202 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sx4 h PRO 202 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sx4 h PRO 202 CO 0.17 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.62 1sx4 n TYR 203 N -3.21 0.00 0.15 0.65 4.01 -1.26 -2.02 117.16 115.49 1sx4 n TYR 203 Ca -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 1sx4 n TYR 203 Cb 0.19 -0.29 0.18 0.00 -0.31 0.00 0.00 39.34 39.11 1sx4 n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1sx4 h PHE 204 N 0.00 0.00 -1.60 -0.72 0.04 -1.58 -3.46 116.94 109.63 1sx4 h PHE 204 Ca 0.00 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.05 1sx4 h PHE 204 Cb 0.19 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.36 1sx4 h PHE 204 CO 0.00 0.53 0.82 -0.89 -0.60 0.00 0.00 178.31 178.16 1sx4 n ILE 205 N -3.50 0.25 0.57 -0.55 5.41 -0.85 -4.78 119.36 115.91 1sx4 n ILE 205 Ca 0.00 -0.05 0.07 0.00 1.00 0.00 0.00 62.75 63.77 1sx4 n ILE 205 Cb 0.63 -1.17 0.05 0.00 -0.71 0.00 0.00 39.64 38.44 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 4.83 2.03 -3.35 4.38 0.23 -1.20 -4.80 115.26 117.38 1sx4 n ASN 206 Ca 0.25 -1.51 -0.26 0.00 -0.53 0.00 0.00 54.58 52.52 1sx4 n ASN 206 Cb 0.15 0.07 -0.09 0.00 -2.08 0.00 0.00 39.78 37.83 1sx4 n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sx4 n LYS 207 N 0.63 0.57 0.18 -3.83 5.02 -1.05 -5.00 118.16 114.68 1sx4 n LYS 207 Ca 0.08 -3.33 0.09 0.00 -2.02 0.00 0.00 58.31 53.12 1sx4 n LYS 207 Cb 0.33 -1.57 0.47 0.00 -0.02 0.00 0.00 35.03 34.24 1sx4 n LYS 207 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1sx4 h PRO 208 N 4.97 0.00 0.00 1.97 0.13 -1.87 -1.91 132.00 135.29 1sx4 h PRO 208 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1sx4 h PRO 208 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1sx4 h PRO 208 CO 0.44 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.10 1sx4 h GLU 209 N 0.00 0.00 -0.02 0.86 3.07 -1.95 -2.39 114.58 114.15 1sx4 h GLU 209 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sx4 h GLU 209 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1sx4 h GLU 209 CO 0.00 0.05 -0.37 2.41 -1.40 0.00 0.00 179.01 179.69 1sx4 n THR 210 N -3.11 0.00 -3.90 1.13 -1.04 -0.73 -4.98 114.28 101.64 1sx4 n THR 210 Ca 0.03 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.05 61.48 1sx4 n THR 210 Cb 0.52 1.24 -0.01 0.00 -1.82 0.00 0.00 70.33 70.26 1sx4 n THR 210 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sx4 n GLY 211 N 1.40 -0.40 3.30 3.41 0.00 -0.90 -4.95 105.19 107.04 1sx4 n GLY 211 Ca 0.10 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.84 -0.61 -0.13 4.61 0.00 -1.23 -4.47 121.76 116.10 1sx4 s ALA 212 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1sx4 s ALA 212 Cb -0.05 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1sx4 s ALA 212 CO 0.88 -0.62 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 1sx4 s VAL 213 N -3.85 4.08 -0.26 0.00 1.01 -0.60 -2.52 120.40 118.27 1sx4 s VAL 213 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1sx4 s VAL 213 Cb 0.03 -2.75 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1sx4 s VAL 213 CO -0.09 0.54 0.09 -0.70 0.00 0.00 0.00 175.10 174.93 1sx4 s GLU 214 N -0.17 0.47 -0.09 2.72 2.12 -1.26 -1.00 118.70 121.49 1sx4 s GLU 214 Ca 0.04 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 1sx4 s GLU 214 Cb -0.13 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 1sx4 s GLU 214 CO 0.02 -0.87 0.02 -0.51 -0.54 0.00 0.00 175.26 173.38 1sx4 s LEU 215 N 1.89 3.68 -0.25 2.70 1.43 -0.64 -4.97 118.68 122.52 1sx4 s LEU 215 Ca 0.06 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1sx4 s LEU 215 Cb -0.17 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1sx4 s LEU 215 CO -0.23 0.38 -0.01 -1.61 0.23 0.00 0.00 176.35 175.12 1sx4 s GLU 216 N -0.90 3.21 -1.43 1.70 2.02 -1.26 -2.43 118.70 119.61 1sx4 s GLU 216 Ca 0.13 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 1sx4 s GLU 216 Cb -0.11 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1sx4 s GLU 216 CO 0.02 -0.30 0.45 0.43 0.02 0.00 0.00 175.26 175.88 1sx4 n SER 217 N 4.80 -5.61 -4.78 -0.19 7.64 -0.90 -4.62 113.62 109.95 1sx4 n SER 217 Ca -0.17 -0.21 -0.34 0.00 1.01 0.00 0.00 58.87 59.16 1sx4 n SER 217 Cb 0.49 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -5.46 3.37 0.52 1.43 0.04 -1.21 -4.78 135.00 128.92 1sx4 s PRO 218 Ca 0.22 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1sx4 s PRO 218 Cb -0.10 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1sx4 s PRO 218 CO 0.27 -0.80 1.02 -0.06 0.04 0.00 0.00 177.00 177.47 1sx4 s PHE 219 N -2.05 3.18 -0.18 0.56 0.08 -0.78 -3.13 117.98 115.66 1sx4 s PHE 219 Ca 0.69 1.52 0.01 0.00 0.12 0.00 0.00 56.93 59.27 1sx4 s PHE 219 Cb -0.20 -2.93 0.04 0.00 -0.57 0.00 0.00 43.02 39.36 1sx4 s PHE 219 CO 0.29 -0.68 -0.11 0.42 -0.10 0.00 0.00 175.22 175.05 1sx4 s ILE 220 N -2.37 1.55 -0.08 0.64 1.01 0.36 -1.04 121.20 121.27 1sx4 s ILE 220 Ca 0.63 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 1sx4 s ILE 220 Cb -0.13 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1sx4 s ILE 220 CO 0.28 0.24 0.82 -0.22 0.00 0.00 0.00 174.94 176.06 1sx4 s LEU 221 N 1.45 4.29 -0.66 2.97 2.96 0.12 0.15 118.68 129.96 1sx4 s LEU 221 Ca 0.01 1.32 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 1sx4 s LEU 221 Cb -0.15 -3.26 0.34 0.00 0.50 0.00 0.00 46.19 43.61 1sx4 s LEU 221 CO -0.09 -0.24 1.10 0.18 -1.32 0.00 0.00 176.35 175.98 1sx4 n LEU 222 N 4.24 4.98 -4.72 -0.68 4.77 -1.26 -0.81 117.00 123.52 1sx4 n LEU 222 Ca 0.02 -5.64 -0.41 0.00 -0.03 0.00 0.00 56.01 49.96 1sx4 n LEU 222 Cb 0.50 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1sx4 n LEU 222 CO 0.49 2.30 0.57 0.00 -1.33 0.00 0.00 177.39 179.42 1sx4 s ALA 223 N -3.62 3.26 -1.10 -1.18 0.00 -1.21 -2.59 121.76 115.32 1sx4 s ALA 223 Ca 0.47 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1sx4 s ALA 223 Cb 0.26 -3.17 0.29 0.00 0.00 0.00 0.00 23.12 20.51 1sx4 s ALA 223 CO -0.14 -0.10 1.25 -3.47 0.00 0.00 0.00 175.76 173.30 1sx4 n ASP 224 N 3.45 5.85 -3.57 0.00 2.03 -0.26 -3.29 116.55 120.77 1sx4 n ASP 224 Ca 0.02 -3.19 0.04 0.00 0.52 0.00 0.00 54.79 52.18 1sx4 n ASP 224 Cb 0.51 -1.33 -0.00 0.00 -0.72 0.00 0.00 41.12 39.58 1sx4 n ASP 224 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1sx4 s LYS 225 N -1.88 0.05 -0.20 -0.67 -2.85 -1.26 -3.96 119.74 108.97 1sx4 s LYS 225 Ca 0.31 -0.03 -0.22 0.00 -1.00 0.00 0.00 55.97 55.03 1sx4 s LYS 225 Cb -0.04 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.72 1sx4 s LYS 225 CO -0.01 -0.02 0.70 0.15 0.10 0.00 0.00 175.35 176.27 1sx4 s LYS 226 N -2.05 4.23 -0.39 1.78 1.02 -1.26 -1.81 119.74 121.26 1sx4 s LYS 226 Ca 0.15 0.75 -0.17 0.00 0.02 0.00 0.00 55.97 56.72 1sx4 s LYS 226 Cb 0.07 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1sx4 s LYS 226 CO -0.07 -0.30 0.47 0.42 -0.92 0.00 0.00 175.35 174.95 1sx4 s ILE 227 N 2.09 5.05 -0.14 2.17 1.01 -0.02 -4.89 121.20 126.48 1sx4 s ILE 227 Ca 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1sx4 s ILE 227 Cb -0.16 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1sx4 s ILE 227 CO 0.11 -0.32 -0.16 -1.20 0.00 0.00 0.00 174.94 173.37 1sx4 n SER 228 N 5.68 1.73 -4.82 3.58 7.64 -1.26 -0.38 113.62 125.78 1sx4 n SER 228 Ca -0.06 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 1sx4 n SER 228 Cb 0.48 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 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 -5.91 6.05 0.12 6.43 0.01 -1.26 -1.60 114.94 118.78 1sx4 s ASN 229 Ca -0.19 0.37 0.23 0.00 -0.71 0.00 0.00 52.86 52.56 1sx4 s ASN 229 Cb 0.07 -1.89 0.92 0.00 0.41 0.00 0.00 41.25 40.75 1sx4 s ASN 229 CO 0.27 0.39 1.72 0.00 -1.51 0.00 0.00 177.10 177.98 1sx4 n ILE 230 N 1.97 0.60 -0.11 0.60 3.06 -1.26 -3.51 119.36 120.72 1sx4 n ILE 230 Ca -0.19 0.05 -0.07 0.00 -2.50 0.00 0.00 62.75 60.03 1sx4 n ILE 230 Cb 0.54 -0.81 0.01 0.00 0.54 0.00 0.00 39.64 39.92 1sx4 n ILE 230 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1sx4 h ARG 231 N 0.00 0.36 -0.14 9.51 3.08 -2.01 -1.46 114.38 123.72 1sx4 h ARG 231 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1sx4 h ARG 231 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1sx4 h ARG 231 CO 0.00 0.24 0.11 0.93 -1.07 0.00 0.00 179.97 180.18 1sx4 h GLU 232 N 0.38 0.00 -0.03 0.04 5.08 -1.95 -3.15 114.58 114.95 1sx4 h GLU 232 Ca 0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 1sx4 h GLU 232 Cb 0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.33 1sx4 h GLU 232 CO -0.11 0.00 -0.93 0.52 -1.00 0.00 0.00 179.01 177.49 1sx4 h MET 233 N 0.00 0.68 -0.47 2.33 2.86 -1.44 -3.16 114.93 115.72 1sx4 h MET 233 Ca 0.06 -0.70 0.14 0.00 -2.06 0.00 0.00 59.70 57.15 1sx4 h MET 233 Cb 0.28 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1sx4 h MET 233 CO -0.00 1.28 0.44 -0.07 1.06 0.00 0.00 176.91 179.63 1sx4 h LEU 234 N 0.35 0.00 -0.52 1.22 3.38 -1.47 0.24 115.31 118.51 1sx4 h LEU 234 Ca -0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1sx4 h LEU 234 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1sx4 h LEU 234 CO 0.19 0.00 -0.35 1.55 0.09 0.00 0.00 178.44 179.91 1sx4 h PRO 235 N 0.00 0.82 0.08 1.13 0.13 -1.84 -3.13 132.00 129.20 1sx4 h PRO 235 Ca 0.22 -0.41 -0.29 0.00 -0.87 0.00 0.00 66.00 64.66 1sx4 h PRO 235 Cb 1.11 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.27 1sx4 h PRO 235 CO -0.00 1.04 -1.18 0.28 -0.23 0.00 0.00 178.00 177.91 1sx4 h VAL 236 N 0.68 1.28 0.00 1.56 2.07 -0.74 -2.99 116.25 118.11 1sx4 h VAL 236 Ca 0.07 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1sx4 h VAL 236 Cb 0.91 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1sx4 h VAL 236 CO 0.08 0.73 0.00 -0.07 0.02 0.00 0.00 177.57 178.33 1sx4 h LEU 237 N 0.31 0.00 0.11 2.57 3.38 -1.54 -1.79 115.31 118.36 1sx4 h LEU 237 Ca -0.17 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 1sx4 h LEU 237 Cb 1.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1sx4 h LEU 237 CO 0.23 0.00 -1.55 -0.33 0.09 0.00 0.00 178.44 176.88 1sx4 h GLU 238 N 0.00 0.24 -0.16 1.13 5.08 -1.55 -2.21 114.58 117.11 1sx4 h GLU 238 Ca 0.00 -0.42 -0.19 0.00 -1.00 0.00 0.00 59.36 57.76 1sx4 h GLU 238 Cb 0.35 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sx4 h GLU 238 CO 0.00 1.10 -0.66 0.00 -1.00 0.00 0.00 179.01 178.45 1sx4 h ALA 239 N 0.49 0.52 -0.11 3.43 0.00 -1.35 -2.84 119.26 119.40 1sx4 h ALA 239 Ca -0.25 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1sx4 h ALA 239 Cb 2.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1sx4 h ALA 239 CO 0.16 0.71 -0.04 0.28 0.00 0.00 0.00 179.25 180.36 1sx4 h VAL 240 N 0.46 1.30 -0.09 0.00 2.07 -1.45 -2.49 116.25 116.05 1sx4 h VAL 240 Ca -0.02 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1sx4 h VAL 240 Cb 1.25 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1sx4 h VAL 240 CO 0.13 0.29 0.07 0.00 0.02 0.00 0.00 177.57 178.08 1sx4 h ALA 241 N 0.67 2.06 0.06 1.67 0.00 -1.44 -2.46 119.26 119.82 1sx4 h ALA 241 Ca 0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1sx4 h ALA 241 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sx4 h ALA 241 CO 0.01 -0.12 -1.10 0.87 0.00 0.00 0.00 179.25 178.91 1sx4 h LYS 242 N 0.00 0.15 0.00 0.00 1.57 -1.41 -3.05 116.57 113.84 1sx4 h LYS 242 Ca 0.05 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1sx4 h LYS 242 Cb 0.18 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1sx4 h LYS 242 CO -0.00 1.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.98 1sx4 n ALA 243 N -2.45 2.58 -3.93 3.86 0.00 -0.95 -4.91 120.51 114.72 1sx4 n ALA 243 Ca -0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1sx4 n ALA 243 Cb 0.96 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1sx4 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 244 N 0.83 -0.40 3.20 0.00 0.00 -1.04 -4.98 105.19 102.80 1sx4 n GLY 244 Ca 0.22 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -6.53 0.90 0.90 1.61 1.02 -1.20 -5.08 119.74 111.36 1sx4 s LYS 245 Ca 0.42 -1.13 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1sx4 s LYS 245 Cb -0.22 -0.73 0.13 0.00 -0.52 0.00 0.00 37.83 36.49 1sx4 s LYS 245 CO 0.85 0.14 1.15 -1.25 -0.92 0.00 0.00 175.35 175.32 1sx4 s PRO 246 N -2.48 1.23 -0.03 -1.68 0.04 -1.26 -4.60 135.00 126.22 1sx4 s PRO 246 Ca 0.05 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.29 1sx4 s PRO 246 Cb -0.05 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1sx4 s PRO 246 CO 0.02 -2.12 0.06 -1.17 0.04 0.00 0.00 177.00 173.83 1sx4 s LEU 247 N -5.95 1.28 -0.23 -3.56 2.96 -1.12 -1.87 118.68 110.19 1sx4 s LEU 247 Ca 0.64 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 54.58 1sx4 s LEU 247 Cb -0.13 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 1sx4 s LEU 247 CO 0.52 -0.09 0.08 -0.22 -1.32 0.00 0.00 176.35 175.33 1sx4 s LEU 248 N 0.71 3.67 -0.21 -0.68 2.96 -0.21 -1.75 118.68 123.17 1sx4 s LEU 248 Ca -0.06 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.65 1sx4 s LEU 248 Cb -0.08 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1sx4 s LEU 248 CO -0.02 0.05 0.29 -0.63 -1.32 0.00 0.00 176.35 174.71 1sx4 s ILE 249 N 1.14 5.27 -0.63 6.68 -1.09 -0.49 0.12 121.20 132.21 1sx4 s ILE 249 Ca 0.05 0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 1sx4 s ILE 249 Cb -0.14 -3.63 0.16 0.00 -1.58 0.00 0.00 42.46 37.27 1sx4 s ILE 249 CO 0.04 0.30 0.44 -0.63 -1.23 0.00 0.00 174.94 173.85 1sx4 s ILE 250 N 1.13 2.40 0.56 2.92 1.01 0.01 -0.95 121.20 128.27 1sx4 s ILE 250 Ca 0.14 -3.85 0.05 0.00 0.00 0.00 0.00 60.65 56.99 1sx4 s ILE 250 Cb -0.14 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.79 1sx4 s ILE 250 CO 0.06 -1.02 0.41 0.00 0.00 0.00 0.00 174.94 174.39 1sx4 s ALA 251 N -1.03 4.51 0.21 9.38 0.00 -1.23 -3.30 121.76 130.31 1sx4 s ALA 251 Ca 0.25 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1sx4 s ALA 251 Cb -0.06 -0.70 0.30 0.00 0.00 0.00 0.00 23.12 22.65 1sx4 s ALA 251 CO -0.15 -0.47 1.72 1.49 0.00 0.00 0.00 175.76 178.35 1sx4 h GLU 252 N 0.70 0.31 -2.54 0.00 4.81 -1.34 0.17 114.58 116.69 1sx4 h GLU 252 Ca -0.36 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1sx4 h GLU 252 Cb 1.31 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 1sx4 h GLU 252 CO 0.57 0.20 0.40 0.34 -0.73 0.00 0.00 179.01 179.80 1sx4 s ASP 253 N -5.33 -0.22 -0.08 1.04 -1.08 -1.24 -3.92 116.67 105.84 1sx4 s ASP 253 Ca -0.13 -0.43 -0.01 0.00 -0.52 0.00 0.00 52.55 51.46 1sx4 s ASP 253 Cb 0.18 0.55 0.03 0.00 -1.46 0.00 0.00 42.92 42.22 1sx4 s ASP 253 CO 0.74 -1.02 -0.02 -0.69 0.52 0.00 0.00 175.17 174.70 1sx4 s VAL 254 N -3.47 0.59 0.10 1.11 1.01 -1.26 -0.84 120.40 117.64 1sx4 s VAL 254 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1sx4 s VAL 254 Cb -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1sx4 s VAL 254 CO 0.03 0.29 -0.10 -1.61 0.00 0.00 0.00 175.10 173.71 1sx4 s GLU 255 N 1.87 2.13 0.00 2.72 2.02 0.49 -4.67 118.70 123.26 1sx4 s GLU 255 Ca 0.05 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1sx4 s GLU 255 Cb -0.12 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1sx4 s GLU 255 CO -0.06 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1sx4 n GLY 256 N 0.78 0.08 0.00 -1.39 0.00 -1.26 -2.32 105.19 101.08 1sx4 n GLY 256 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sx4 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sx4 n GLU 257 N 0.00 0.00 0.13 1.61 0.00 -1.26 -0.35 120.64 120.76 1sx4 n GLU 257 Ca 0.00 0.69 0.13 0.00 0.00 0.00 0.00 57.16 57.98 1sx4 n GLU 257 Cb 0.00 -1.21 0.65 0.00 0.00 0.00 0.00 31.44 30.88 1sx4 n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sx4 h ALA 258 N -1.60 2.20 0.50 4.31 0.00 -0.89 -1.07 119.26 122.71 1sx4 h ALA 258 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 258 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sx4 h ALA 258 CO 0.00 -0.27 -0.24 1.25 0.00 0.00 0.00 179.25 179.99 1sx4 h LEU 259 N 0.04 -0.56 -2.14 0.00 5.85 -1.14 -1.02 115.31 116.33 1sx4 h LEU 259 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1sx4 h LEU 259 Cb 0.44 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1sx4 h LEU 259 CO -0.01 -0.27 0.13 0.00 -0.34 0.00 0.00 178.44 177.96 1sx4 h ALA 260 N -1.43 1.12 0.16 1.25 0.00 -0.40 -0.79 119.26 119.17 1sx4 h ALA 260 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 260 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sx4 h ALA 260 CO 0.11 -0.12 -0.07 1.15 0.00 0.00 0.00 179.25 180.31 1sx4 h THR 261 N 0.00 0.39 -0.35 0.00 2.02 -1.07 -2.94 112.91 110.97 1sx4 h THR 261 Ca 0.00 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.15 1sx4 h THR 261 Cb 0.27 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1sx4 h THR 261 CO 0.00 0.12 0.23 -0.07 0.37 0.00 0.00 175.52 176.17 1sx4 h LEU 262 N -1.01 0.30 0.41 2.58 3.38 -0.66 -0.57 115.31 119.74 1sx4 h LEU 262 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sx4 h LEU 262 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1sx4 h LEU 262 CO 0.03 0.21 -0.26 0.58 0.09 0.00 0.00 178.44 179.10 1sx4 h VAL 263 N 0.36 0.47 0.00 1.22 2.07 -1.26 -2.06 116.25 117.04 1sx4 h VAL 263 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1sx4 h VAL 263 Cb 0.12 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1sx4 h VAL 263 CO -0.03 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.08 1sx4 n VAL 264 N -5.39 0.62 0.11 2.57 0.31 -1.04 -1.58 118.33 113.94 1sx4 n VAL 264 Ca -0.11 0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1sx4 n VAL 264 Cb 0.29 -0.82 -0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1sx4 n VAL 264 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sx4 h ASN 265 N 0.00 0.00 -0.00 4.52 -0.26 -0.73 -3.24 115.58 115.87 1sx4 h ASN 265 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1sx4 h ASN 265 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1sx4 h ASN 265 CO 0.00 0.52 -0.90 0.35 -1.06 0.00 0.00 177.43 176.35 1sx4 n THR 266 N -3.14 0.00 0.14 2.81 -2.24 -0.81 -1.54 114.28 109.50 1sx4 n THR 266 Ca -0.01 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1sx4 n THR 266 Cb 0.76 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.91 1sx4 n THR 266 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1sx4 h MET 267 N 0.05 -0.33 -0.02 -0.78 -1.53 -1.36 -3.08 114.93 107.88 1sx4 h MET 267 Ca 0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1sx4 h MET 267 Cb 0.46 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 1sx4 h MET 267 CO 0.00 -0.06 0.00 0.54 0.14 0.00 0.00 176.91 177.53 1sx4 n ARG 268 N -5.14 1.42 -3.22 0.39 1.74 -1.22 -4.97 116.66 105.67 1sx4 n ARG 268 Ca -0.09 -0.61 -0.16 0.00 -0.77 0.00 0.00 57.85 56.21 1sx4 n ARG 268 Cb 0.22 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.09 -0.19 0.08 -0.13 0.00 -1.17 -4.98 105.19 99.90 1sx4 n GLY 269 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.76 1.55 -3.30 -0.61 2.04 -1.59 -3.44 117.51 110.40 1sx4 h ILE 270 Ca -0.45 -2.33 -0.44 0.00 1.00 0.00 0.00 64.86 62.64 1sx4 h ILE 270 Cb 1.27 3.10 -0.37 0.00 -0.74 0.00 0.00 36.82 40.09 1sx4 h ILE 270 CO 0.41 0.56 -0.77 -0.69 0.00 0.00 0.00 178.15 177.65 1sx4 s VAL 271 N -2.28 0.53 -0.02 1.67 1.01 -1.16 -5.03 120.40 115.12 1sx4 s VAL 271 Ca -0.21 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 271 Cb -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1sx4 s VAL 271 CO 0.69 0.27 1.39 -0.54 0.00 0.00 0.00 175.10 176.90 1sx4 s LYS 272 N 1.63 4.28 0.04 2.72 3.01 -1.26 -3.93 119.74 126.23 1sx4 s LYS 272 Ca 0.00 1.93 -0.07 0.00 -1.01 0.00 0.00 55.97 56.83 1sx4 s LYS 272 Cb -0.13 -3.61 -0.00 0.00 -1.01 0.00 0.00 37.83 33.08 1sx4 s LYS 272 CO -0.04 -0.59 0.14 0.08 0.51 0.00 0.00 175.35 175.45 1sx4 s VAL 273 N 2.54 0.12 -0.09 3.17 1.01 -1.26 -2.81 120.40 123.08 1sx4 s VAL 273 Ca 0.63 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 273 Cb -0.30 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1sx4 s VAL 273 CO 0.25 -0.56 0.36 0.00 0.00 0.00 0.00 175.10 175.16 1sx4 s ALA 274 N -2.59 -0.90 -0.01 5.51 0.00 -0.72 -4.89 121.76 118.16 1sx4 s ALA 274 Ca -0.05 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1sx4 s ALA 274 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1sx4 s ALA 274 CO -0.04 -0.21 -0.14 0.00 0.00 0.00 0.00 175.76 175.37 1sx4 s ALA 275 N -0.42 1.14 0.00 0.00 0.00 -1.26 -1.39 121.76 119.82 1sx4 s ALA 275 Ca -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1sx4 s ALA 275 Cb -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1sx4 s ALA 275 CO 0.02 0.27 0.02 0.14 0.00 0.00 0.00 175.76 176.21 1sx4 s VAL 276 N -0.37 0.04 0.85 0.00 -7.23 -0.12 -2.18 120.40 111.38 1sx4 s VAL 276 Ca 0.05 -0.35 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 1sx4 s VAL 276 Cb -0.06 -0.15 0.06 0.00 0.56 0.00 0.00 36.38 36.80 1sx4 s VAL 276 CO -0.00 -0.19 0.85 0.29 -0.31 0.00 0.00 175.10 175.73 1sx4 n LYS 277 N 2.47 -0.01 -2.37 4.82 5.02 -1.26 -3.47 118.16 123.35 1sx4 n LYS 277 Ca -0.17 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 1sx4 n LYS 277 Cb 0.58 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.23 3.15 0.42 7.82 0.00 0.05 -4.79 121.76 126.18 1sx4 s ALA 278 Ca 0.66 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1sx4 s ALA 278 Cb -0.27 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1sx4 s ALA 278 CO 0.58 -0.31 1.20 -1.25 0.00 0.00 0.00 175.76 175.98 1sx4 s PRO 279 N -4.33 3.95 0.27 0.00 0.04 -1.26 -4.87 135.00 128.80 1sx4 s PRO 279 Ca 0.56 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1sx4 s PRO 279 Cb -0.10 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1sx4 s PRO 279 CO 0.37 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1sx4 n GLY 280 N 0.61 -1.97 3.09 0.56 0.00 -1.26 -4.63 105.19 101.58 1sx4 n GLY 280 Ca 0.05 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1sx4 n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sx4 s PHE 281 N -2.22 0.78 0.00 1.61 -0.71 -1.26 -4.73 117.98 111.44 1sx4 s PHE 281 Ca 0.00 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 1sx4 s PHE 281 Cb 0.00 -0.46 0.00 0.00 -1.21 0.00 0.00 43.02 41.35 1sx4 s PHE 281 CO 0.00 -0.07 0.00 0.41 -1.34 0.00 0.00 175.22 174.22 1sx4 n GLY 282 N 1.29 2.46 0.07 1.99 0.00 -1.26 -3.69 105.19 106.04 1sx4 n GLY 282 Ca -0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1sx4 n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sx4 h ASP 283 N 0.00 -0.05 0.01 1.61 3.32 -2.02 -3.13 116.42 116.15 1sx4 h ASP 283 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1sx4 h ASP 283 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1sx4 h ASP 283 CO 0.00 0.31 0.00 -2.11 -1.72 0.00 0.00 179.24 175.72 1sx4 n ARG 284 N -4.95 0.73 -0.03 3.56 1.85 -1.24 -3.22 116.66 113.36 1sx4 n ARG 284 Ca -0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.64 1sx4 n ARG 284 Cb 0.20 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.01 1sx4 n ARG 284 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1sx4 h ARG 285 N 0.00 0.09 -0.41 2.89 2.43 -1.63 -2.85 114.38 114.89 1sx4 h ARG 285 Ca 0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1sx4 h ARG 285 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1sx4 h ARG 285 CO 0.00 0.63 -0.11 0.87 -1.51 0.00 0.00 179.97 179.84 1sx4 h LYS 286 N -0.45 0.74 -0.21 0.20 1.57 -1.68 0.22 116.57 116.96 1sx4 h LYS 286 Ca 0.00 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1sx4 h LYS 286 Cb 0.62 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1sx4 h LYS 286 CO 0.01 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 179.83 1sx4 h ALA 287 N 1.21 0.27 -0.03 3.86 0.00 -1.70 -2.03 119.26 120.84 1sx4 h ALA 287 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 287 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1sx4 h ALA 287 CO 0.04 -0.20 -0.52 0.52 0.00 0.00 0.00 179.25 179.09 1sx4 h MET 288 N 0.23 0.07 -0.31 0.00 2.86 -1.03 -1.94 114.93 114.81 1sx4 h MET 288 Ca 0.07 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 1sx4 h MET 288 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1sx4 h MET 288 CO -0.01 0.57 -0.40 1.25 1.06 0.00 0.00 176.91 179.38 1sx4 h LEU 289 N 0.05 0.89 -1.79 1.22 6.46 -0.64 -3.12 115.31 118.38 1sx4 h LEU 289 Ca -0.00 -0.49 0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1sx4 h LEU 289 Cb 0.93 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1sx4 h LEU 289 CO 0.07 1.21 0.25 -0.61 -0.62 0.00 0.00 178.44 178.73 1sx4 h GLN 290 N 0.60 0.25 -0.45 1.25 5.75 -0.82 -1.89 115.11 119.80 1sx4 h GLN 290 Ca 0.04 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 1sx4 h GLN 290 Cb 0.99 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 1sx4 h GLN 290 CO 0.09 0.17 -0.04 -0.44 -2.65 0.00 0.00 178.83 175.96 1sx4 h ASP 291 N 0.26 0.74 0.82 -0.69 5.19 -1.31 -1.68 116.42 119.75 1sx4 h ASP 291 Ca 0.16 -0.19 -0.21 0.00 -0.62 0.00 0.00 57.03 56.16 1sx4 h ASP 291 Cb 0.30 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1sx4 h ASP 291 CO -0.03 0.84 -1.00 0.40 -3.12 0.00 0.00 179.24 176.33 1sx4 h ILE 292 N 0.71 1.61 0.16 0.35 2.04 -1.41 -1.73 117.51 119.25 1sx4 h ILE 292 Ca 0.13 -3.10 -0.00 0.00 1.00 0.00 0.00 64.86 62.89 1sx4 h ILE 292 Cb 0.50 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1sx4 h ILE 292 CO 0.03 0.89 -0.27 0.00 0.00 0.00 0.00 178.15 178.80 1sx4 h ALA 293 N 0.94 -0.87 -0.96 1.87 0.00 -1.12 -1.60 119.26 117.52 1sx4 h ALA 293 Ca -0.04 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 293 Cb 1.71 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 19.95 1sx4 h ALA 293 CO 0.14 -0.91 0.46 1.15 0.00 0.00 0.00 179.25 180.09 1sx4 h THR 294 N -0.46 0.36 -0.60 0.00 2.02 -1.20 0.32 112.91 113.36 1sx4 h THR 294 Ca -0.02 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1sx4 h THR 294 Cb 0.42 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1sx4 h THR 294 CO -0.09 0.06 0.05 0.25 0.37 0.00 0.00 175.52 176.16 1sx4 h LEU 295 N 0.34 0.98 -2.67 2.58 7.12 -1.08 -3.19 115.31 119.40 1sx4 h LEU 295 Ca 0.65 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1sx4 h LEU 295 Cb 1.38 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1sx4 h LEU 295 CO -0.59 1.00 0.00 0.35 -0.13 0.00 0.00 178.44 179.07 1sx4 n THR 296 N -4.20 0.86 -3.74 1.05 -2.24 -0.52 -2.53 114.28 102.95 1sx4 n THR 296 Ca 0.04 -0.93 -0.28 0.00 -2.27 0.00 0.00 64.05 60.61 1sx4 n THR 296 Cb 0.31 0.61 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.84 -0.51 3.97 3.38 0.00 0.10 -1.36 105.19 111.61 1sx4 n GLY 297 Ca 0.14 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.22 1.93 -0.14 -0.02 0.00 -0.59 -4.66 107.32 100.62 1sx4 s GLY 298 Ca 0.61 -1.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1sx4 s GLY 298 CO 0.75 -1.52 -0.04 -1.59 0.00 0.00 0.00 173.10 170.69 1sx4 s THR 299 N -2.35 3.86 -0.01 0.90 2.01 0.20 -4.51 115.64 115.74 1sx4 s THR 299 Ca 0.51 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 1sx4 s THR 299 Cb -0.08 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1sx4 s THR 299 CO 0.31 0.52 0.84 -0.69 -0.69 0.00 0.00 174.62 174.91 1sx4 s VAL 300 N 0.13 4.88 -0.94 3.82 1.01 -1.26 -4.54 120.40 123.51 1sx4 s VAL 300 Ca -0.01 1.76 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 1sx4 s VAL 300 Cb -0.14 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.27 1sx4 s VAL 300 CO 0.03 0.24 0.96 -0.63 0.00 0.00 0.00 175.10 175.70 1sx4 s ILE 301 N 0.68 5.47 -0.31 2.22 1.01 -1.07 -4.96 121.20 124.23 1sx4 s ILE 301 Ca 0.44 -2.50 -0.15 0.00 0.00 0.00 0.00 60.65 58.44 1sx4 s ILE 301 Cb -0.20 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 1sx4 s ILE 301 CO 0.24 -1.20 0.38 -0.94 0.00 0.00 0.00 174.94 173.41 1sx4 s SER 302 N 2.34 6.22 0.64 3.58 1.04 -1.26 -1.10 113.70 125.17 1sx4 s SER 302 Ca 0.25 0.03 0.29 0.00 0.48 0.00 0.00 55.95 57.00 1sx4 s SER 302 Cb -0.08 -2.21 1.53 0.00 0.10 0.00 0.00 66.02 65.36 1sx4 s SER 302 CO -0.08 -0.28 1.88 -0.33 0.98 0.00 0.00 173.24 175.41 1sx4 h GLU 303 N 8.34 0.00 0.00 4.02 5.08 -1.74 -1.82 114.58 128.45 1sx4 h GLU 303 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1sx4 h GLU 303 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sx4 h GLU 303 CO 0.68 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.08 1sx4 n GLU 304 N -3.12 0.90 0.00 2.33 1.02 -1.26 -2.33 120.64 118.18 1sx4 n GLU 304 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1sx4 n GLU 304 Cb 0.48 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1sx4 n GLU 304 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sx4 n ILE 305 N -0.50 0.00 -0.34 -3.67 5.41 -0.69 -5.05 119.36 114.52 1sx4 n ILE 305 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1sx4 n ILE 305 Cb 0.00 1.13 0.00 0.00 -0.71 0.00 0.00 39.64 40.06 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 0.41 1.43 3.19 7.39 0.00 -0.99 -5.09 105.19 111.54 1sx4 n GLY 306 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.17 3.13 0.54 1.61 -1.94 -1.26 -5.07 119.30 115.14 1sx4 s MET 307 Ca 0.00 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.18 1sx4 s MET 307 Cb 0.00 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.14 1sx4 s MET 307 CO 0.00 -0.17 0.81 -1.21 -0.01 0.00 0.00 175.02 174.44 1sx4 s GLU 308 N 1.27 2.97 0.12 2.03 2.02 -1.26 -4.28 118.70 121.57 1sx4 s GLU 308 Ca 0.04 -0.20 0.25 0.00 0.02 0.00 0.00 54.97 55.08 1sx4 s GLU 308 Cb -0.14 -2.38 0.96 0.00 0.10 0.00 0.00 34.13 32.67 1sx4 s GLU 308 CO -0.08 -0.53 1.78 1.28 0.02 0.00 0.00 175.26 177.72 1sx4 n LEU 309 N -2.39 0.40 0.22 1.80 4.77 -1.26 -2.34 117.00 118.21 1sx4 n LEU 309 Ca 0.03 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1sx4 n LEU 309 Cb 0.58 -0.44 0.53 0.00 -2.33 0.00 0.00 43.42 41.75 1sx4 n LEU 309 CO 0.51 -0.18 0.84 -0.33 -1.33 0.00 0.00 177.39 176.89 1sx4 h GLU 310 N 0.00 0.00 -2.91 3.23 3.07 -1.90 -3.25 114.58 112.82 1sx4 h GLU 310 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 1sx4 h GLU 310 Cb 0.54 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.10 1sx4 h GLU 310 CO 0.00 0.24 0.04 1.63 -1.40 0.00 0.00 179.01 179.52 1sx4 n LYS 311 N -3.75 3.17 -3.65 2.33 5.02 -0.99 -4.90 118.16 115.39 1sx4 n LYS 311 Ca -0.01 -4.55 -0.10 0.00 -2.02 0.00 0.00 58.31 51.62 1sx4 n LYS 311 Cb 0.35 -2.40 -0.10 0.00 -0.02 0.00 0.00 35.03 32.85 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 -2.08 -0.99 0.47 7.82 0.00 -1.23 -4.67 121.76 121.09 1sx4 s ALA 312 Ca 0.32 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1sx4 s ALA 312 Cb 0.02 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1sx4 s ALA 312 CO -0.03 -0.74 0.50 0.95 0.00 0.00 0.00 175.76 176.44 1sx4 s THR 313 N 2.56 2.44 0.30 0.00 -4.23 -1.26 -4.34 115.64 111.11 1sx4 s THR 313 Ca -0.01 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1sx4 s THR 313 Cb -0.12 -2.68 0.38 0.00 1.34 0.00 0.00 72.50 71.43 1sx4 s THR 313 CO -0.12 0.00 1.59 -0.07 -0.54 0.00 0.00 174.62 175.48 1sx4 h LEU 314 N 0.74 -0.37 -0.96 4.79 3.38 -1.95 0.15 115.31 121.08 1sx4 h LEU 314 Ca -0.38 0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1sx4 h LEU 314 Cb 1.28 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1sx4 h LEU 314 CO 0.52 -0.32 0.73 -0.08 0.09 0.00 0.00 178.44 179.38 1sx4 h GLU 315 N 0.04 0.00 0.11 1.13 4.81 -2.00 0.35 114.58 119.03 1sx4 h GLU 315 Ca 0.58 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.49 1sx4 h GLU 315 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1sx4 h GLU 315 CO -0.86 0.00 -1.67 -0.44 -0.73 0.00 0.00 179.01 175.31 1sx4 h ASP 316 N 0.00 0.38 -3.46 1.04 3.32 -1.07 -3.43 116.42 113.19 1sx4 h ASP 316 Ca 0.05 -0.61 -0.53 0.00 0.02 0.00 0.00 57.03 55.96 1sx4 h ASP 316 Cb 1.50 -0.12 0.07 0.00 0.22 0.00 0.00 39.33 41.00 1sx4 h ASP 316 CO -0.00 1.52 0.78 -0.76 -1.72 0.00 0.00 179.24 179.06 1sx4 s LEU 317 N -6.92 4.37 1.06 1.55 1.02 0.12 0.58 118.68 120.47 1sx4 s LEU 317 Ca -0.12 2.77 -0.15 0.00 0.02 0.00 0.00 54.13 56.65 1sx4 s LEU 317 Cb 0.07 -3.63 0.22 0.00 0.02 0.00 0.00 46.19 42.86 1sx4 s LEU 317 CO 0.83 -0.75 1.12 -0.83 0.02 0.00 0.00 176.35 176.74 1sx4 s GLY 318 N 0.27 1.58 -0.21 -3.19 0.00 0.39 -4.57 107.32 101.60 1sx4 s GLY 318 Ca 0.59 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 1sx4 s GLY 318 CO 0.47 0.07 0.49 1.62 0.00 0.00 0.00 173.10 175.75 1sx4 s GLN 319 N -5.21 0.48 0.05 2.90 0.74 -0.46 0.14 119.66 118.29 1sx4 s GLN 319 Ca 0.68 0.95 0.01 0.00 0.05 0.00 0.00 55.36 57.04 1sx4 s GLN 319 Cb -0.14 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 1sx4 s GLN 319 CO 0.56 -0.17 -0.05 0.00 -0.55 0.00 0.00 175.29 175.09 1sx4 s ALA 320 N 1.62 0.49 -0.36 1.58 0.00 -1.18 -1.35 121.76 122.56 1sx4 s ALA 320 Ca -0.09 -0.92 0.27 0.00 0.00 0.00 0.00 51.96 51.22 1sx4 s ALA 320 Cb -0.08 0.15 0.86 0.00 0.00 0.00 0.00 23.12 24.05 1sx4 s ALA 320 CO -0.15 -0.19 1.77 0.87 0.00 0.00 0.00 175.76 178.07 1sx4 h LYS 321 N 3.94 0.00 -2.48 0.00 1.57 0.38 -3.19 116.57 116.78 1sx4 h LYS 321 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1sx4 h LYS 321 Cb 1.18 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.34 1sx4 h LYS 321 CO 0.51 0.00 0.24 0.50 -0.57 0.00 0.00 179.45 180.13 1sx4 s ARG 322 N -3.34 1.12 -0.10 3.15 3.52 -0.97 -2.12 118.95 120.21 1sx4 s ARG 322 Ca 0.06 -0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 1sx4 s ARG 322 Cb 0.09 0.52 0.03 0.00 -1.56 0.00 0.00 34.95 34.03 1sx4 s ARG 322 CO 0.56 -0.44 0.31 0.14 -0.81 0.00 0.00 175.30 175.07 1sx4 s VAL 323 N -2.58 0.01 -0.09 7.11 -7.23 -1.02 -0.93 120.40 115.67 1sx4 s VAL 323 Ca -0.03 -0.06 -0.00 0.00 -1.81 0.00 0.00 61.98 60.07 1sx4 s VAL 323 Cb -0.01 -0.46 0.02 0.00 0.56 0.00 0.00 36.38 36.50 1sx4 s VAL 323 CO -0.03 -0.04 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.98 1sx4 s VAL 324 N -0.02 0.79 0.14 1.32 1.01 -0.62 -1.62 120.40 121.40 1sx4 s VAL 324 Ca -0.02 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1sx4 s VAL 324 Cb -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1sx4 s VAL 324 CO 0.01 0.32 -0.24 0.27 0.00 0.00 0.00 175.10 175.46 1sx4 s ILE 325 N 1.52 2.44 0.31 2.22 -0.00 -0.17 -1.60 121.20 125.93 1sx4 s ILE 325 Ca -0.00 -1.73 0.01 0.00 -0.00 0.00 0.00 60.65 58.93 1sx4 s ILE 325 Cb -0.13 -2.11 0.01 0.00 -0.00 0.00 0.00 42.46 40.23 1sx4 s ILE 325 CO -0.05 0.06 0.11 0.59 -0.00 0.00 0.00 174.94 175.65 1sx4 n ASN 326 N 0.77 2.45 -0.34 4.36 3.02 0.27 -1.55 115.26 124.25 1sx4 n ASN 326 Ca -0.16 -2.21 0.19 0.00 -0.03 0.00 0.00 54.58 52.36 1sx4 n ASN 326 Cb 0.53 0.10 0.36 0.00 -0.61 0.00 0.00 39.78 40.17 1sx4 n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sx4 h LYS 327 N 0.00 0.02 0.00 3.52 3.64 -1.94 -2.27 116.57 119.54 1sx4 h LYS 327 Ca -0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1sx4 h LYS 327 Cb 0.75 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1sx4 h LYS 327 CO 0.37 0.01 -0.20 -0.40 -2.27 0.00 0.00 179.45 176.96 1sx4 n ASP 328 N -5.42 0.00 -3.84 4.20 5.68 -1.26 -4.10 116.55 111.81 1sx4 n ASP 328 Ca 0.27 -1.40 -0.17 0.00 -0.50 0.00 0.00 54.79 52.99 1sx4 n ASP 328 Cb 0.89 -0.08 -0.16 0.00 -1.14 0.00 0.00 41.12 40.63 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 0.00 0.20 -0.16 2.12 2.01 -1.18 -3.12 115.64 115.51 1sx4 s THR 329 Ca 0.00 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1sx4 s THR 329 Cb 0.00 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1sx4 s THR 329 CO 0.00 0.14 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.14 1sx4 s THR 330 N 0.88 3.79 -0.07 -0.82 2.01 -0.51 -0.56 115.64 120.35 1sx4 s THR 330 Ca -0.09 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1sx4 s THR 330 Cb -0.12 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1sx4 s THR 330 CO -0.01 0.48 -0.04 0.28 -0.69 0.00 0.00 174.62 174.64 1sx4 s THR 331 N 0.49 0.63 -0.24 -0.82 -1.32 -0.63 -0.68 115.64 113.08 1sx4 s THR 331 Ca -0.04 -0.09 -0.08 0.00 -1.21 0.00 0.00 61.69 60.27 1sx4 s THR 331 Cb -0.14 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 1sx4 s THR 331 CO 0.03 0.28 0.09 -0.63 -2.21 0.00 0.00 174.62 172.17 1sx4 s ILE 332 N 1.45 4.58 -0.21 5.08 1.01 0.62 -1.58 121.20 132.15 1sx4 s ILE 332 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1sx4 s ILE 332 Cb -0.13 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1sx4 s ILE 332 CO -0.03 0.35 -0.09 -0.63 0.00 0.00 0.00 174.94 174.54 1sx4 s ILE 333 N 1.34 2.92 -0.29 2.92 1.01 -0.11 -2.36 121.20 126.63 1sx4 s ILE 333 Ca 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1sx4 s ILE 333 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1sx4 s ILE 333 CO 0.04 0.43 0.03 -0.67 0.00 0.00 0.00 174.94 174.77 1sx4 n ASP 334 N 4.73 -7.01 -4.76 3.58 -0.08 -0.40 -1.72 116.55 110.89 1sx4 n ASP 334 Ca -0.19 1.40 -0.37 0.00 -1.51 0.00 0.00 54.79 54.13 1sx4 n ASP 334 Cb 0.50 -5.26 -0.07 0.00 2.34 0.00 0.00 41.12 38.64 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sx4 s GLY 335 N -1.49 2.24 0.55 0.27 0.00 -1.05 -0.10 107.32 107.75 1sx4 s GLY 335 Ca -0.03 -0.43 0.34 0.00 0.00 0.00 0.00 44.72 44.59 1sx4 s GLY 335 CO 0.77 0.32 2.00 -2.08 0.00 0.00 0.00 173.10 174.12 1sx4 h VAL 336 N 4.49 0.04 -1.71 1.40 2.07 -1.32 -3.45 116.25 117.76 1sx4 h VAL 336 Ca -0.44 -0.51 -0.67 0.00 0.82 0.00 0.00 66.70 65.89 1sx4 h VAL 336 Cb 1.18 1.49 0.05 0.00 -1.52 0.00 0.00 31.29 32.49 1sx4 h VAL 336 CO 0.72 0.01 0.47 0.61 0.02 0.00 0.00 177.57 179.41 1sx4 n GLY 337 N -0.04 0.50 3.84 2.17 0.00 -1.05 -4.81 105.19 105.81 1sx4 n GLY 337 Ca 0.00 0.70 -0.32 0.00 0.00 0.00 0.00 46.02 46.40 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 0.51 3.82 0.38 1.61 2.02 -1.26 -4.78 118.70 121.00 1sx4 s GLU 338 Ca 0.84 0.97 0.13 0.00 0.02 0.00 0.00 54.97 56.92 1sx4 s GLU 338 Cb -0.94 -2.11 0.75 0.00 0.10 0.00 0.00 34.13 31.92 1sx4 s GLU 338 CO 0.46 -0.38 1.85 0.93 0.02 0.00 0.00 175.26 178.14 1sx4 h GLU 339 N 0.70 0.01 -0.79 1.61 4.39 -1.95 0.06 114.58 118.61 1sx4 h GLU 339 Ca -0.46 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.41 1sx4 h GLU 339 Cb 1.19 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 1sx4 h GLU 339 CO 0.61 0.35 0.23 0.00 -1.16 0.00 0.00 179.01 179.05 1sx4 h ALA 340 N 1.65 1.09 0.00 3.43 0.00 -2.00 -1.57 119.26 121.86 1sx4 h ALA 340 Ca -0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 340 Cb 0.62 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sx4 h ALA 340 CO 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 179.25 178.96 1sx4 h ALA 341 N 1.65 -0.00 -0.70 0.00 0.00 -1.58 -3.16 119.26 115.47 1sx4 h ALA 341 Ca 0.46 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 341 Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1sx4 h ALA 341 CO -0.52 -0.04 0.33 0.82 0.00 0.00 0.00 179.25 179.83 1sx4 h ILE 342 N -0.91 1.23 -0.25 0.00 2.04 -0.91 -0.03 117.51 118.68 1sx4 h ILE 342 Ca -0.00 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1sx4 h ILE 342 Cb 0.90 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1sx4 h ILE 342 CO 0.00 0.27 -0.03 -0.61 0.00 0.00 0.00 178.15 177.79 1sx4 h GLN 343 N 0.97 0.45 -1.00 2.37 5.75 -1.48 -2.93 115.11 119.25 1sx4 h GLN 343 Ca 0.24 -0.16 0.15 0.00 -0.15 0.00 0.00 58.65 58.73 1sx4 h GLN 343 Cb 0.12 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.55 1sx4 h GLN 343 CO -0.03 0.65 0.62 0.78 -2.65 0.00 0.00 178.83 178.21 1sx4 h GLY 344 N 0.21 1.69 1.09 2.39 0.00 -1.30 -0.91 103.07 106.24 1sx4 h GLY 344 Ca 0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1sx4 h GLY 344 CO 0.02 0.07 -0.07 -0.09 0.00 0.00 0.00 176.54 176.47 1sx4 h ARG 345 N 0.89 1.04 -0.82 4.80 9.65 -1.02 -1.82 114.38 127.11 1sx4 h ARG 345 Ca 0.53 -0.37 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1sx4 h ARG 345 Cb 0.67 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1sx4 h ARG 345 CO -0.31 1.06 0.36 0.28 2.80 0.00 0.00 179.97 184.16 1sx4 h VAL 346 N 0.93 1.26 -0.42 0.20 2.07 -1.04 -0.14 116.25 119.11 1sx4 h VAL 346 Ca 0.15 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1sx4 h VAL 346 Cb 0.64 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1sx4 h VAL 346 CO 0.04 0.32 0.08 0.00 0.02 0.00 0.00 177.57 178.03 1sx4 h ALA 347 N 1.21 1.36 0.45 1.67 0.00 -1.01 0.66 119.26 123.60 1sx4 h ALA 347 Ca 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 347 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sx4 h ALA 347 CO -0.03 0.46 -0.22 1.96 0.00 0.00 0.00 179.25 181.42 1sx4 h GLN 348 N 0.61 -0.58 -0.83 0.00 4.20 -0.69 -3.13 115.11 114.69 1sx4 h GLN 348 Ca 0.14 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1sx4 h GLN 348 Cb 0.27 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1sx4 h GLN 348 CO 0.00 -0.28 0.37 0.82 -0.67 0.00 0.00 178.83 179.07 1sx4 h ILE 349 N -0.89 1.26 -0.73 2.54 2.04 -0.88 -2.51 117.51 118.34 1sx4 h ILE 349 Ca -0.06 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1sx4 h ILE 349 Cb 0.57 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 1sx4 h ILE 349 CO 0.10 0.33 -0.57 -0.09 0.00 0.00 0.00 178.15 177.92 1sx4 h ARG 350 N 1.19 -0.17 -0.54 2.37 9.65 0.24 -1.89 114.38 125.23 1sx4 h ARG 350 Ca 0.28 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.23 1sx4 h ARG 350 Cb 0.17 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1sx4 h ARG 350 CO -0.03 -0.12 0.36 1.96 2.80 0.00 0.00 179.97 184.94 1sx4 h GLN 351 N -0.18 0.50 -0.11 0.20 4.20 -1.39 -1.57 115.11 116.75 1sx4 h GLN 351 Ca 0.12 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1sx4 h GLN 351 Cb 0.50 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1sx4 h GLN 351 CO -0.78 0.33 0.08 1.96 -0.67 0.00 0.00 178.83 179.74 1sx4 h GLN 352 N 0.51 0.06 0.00 1.46 4.20 -1.05 -0.55 115.11 119.74 1sx4 h GLN 352 Ca 0.23 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1sx4 h GLN 352 Cb 0.25 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1sx4 h GLN 352 CO -0.06 0.04 -0.27 0.82 -0.67 0.00 0.00 178.83 178.69 1sx4 h ILE 353 N 0.06 0.98 -0.21 2.54 2.04 -1.11 -3.00 117.51 118.81 1sx4 h ILE 353 Ca 0.05 -0.98 -0.12 0.00 1.00 0.00 0.00 64.86 64.80 1sx4 h ILE 353 Cb 0.12 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1sx4 h ILE 353 CO -0.00 0.26 -0.35 -0.33 0.00 0.00 0.00 178.15 177.73 1sx4 h GLU 354 N 0.00 0.60 -1.41 2.37 4.39 -1.19 -3.04 114.58 116.31 1sx4 h GLU 354 Ca -0.00 -0.37 -0.21 0.00 0.34 0.00 0.00 59.36 59.12 1sx4 h GLU 354 Cb 0.54 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1sx4 h GLU 354 CO 0.03 0.98 0.27 0.39 -1.16 0.00 0.00 179.01 179.52 1sx4 n GLU 355 N -4.28 1.51 -3.63 2.33 1.02 -1.11 -4.82 120.64 111.65 1sx4 n GLU 355 Ca -0.06 -1.07 -0.36 0.00 -0.02 0.00 0.00 57.16 55.66 1sx4 n GLU 355 Cb 0.50 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.22 3.64 -0.47 0.62 0.00 -1.15 -4.96 121.76 118.22 1sx4 s ALA 356 Ca 0.21 -0.61 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1sx4 s ALA 356 Cb 0.17 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.90 1sx4 s ALA 356 CO 0.01 0.09 0.41 0.25 0.00 0.00 0.00 175.76 176.52 1sx4 n THR 357 N 3.64 0.00 -4.41 0.00 -2.24 -1.26 -5.02 114.28 104.99 1sx4 n THR 357 Ca -0.14 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1sx4 n THR 357 Cb 0.52 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.88 3.19 0.05 3.42 0.15 -1.26 -5.07 113.70 112.30 1sx4 s SER 358 Ca 0.04 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 55.59 1sx4 s SER 358 Cb 0.07 -0.23 -0.31 0.00 -1.71 0.00 0.00 66.02 63.84 1sx4 s SER 358 CO 0.39 -0.00 1.07 0.44 1.20 0.00 0.00 173.24 176.33 1sx4 h ASP 359 N 2.66 0.76 -0.01 5.45 3.32 -1.99 -2.98 116.42 123.62 1sx4 h ASP 359 Ca -0.41 -0.78 -0.06 0.00 0.02 0.00 0.00 57.03 55.80 1sx4 h ASP 359 Cb 1.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1sx4 h ASP 359 CO 0.57 1.60 -0.14 0.22 -1.72 0.00 0.00 179.24 179.76 1sx4 h TYR 360 N 0.17 0.34 0.00 4.55 3.20 -2.01 -1.64 116.97 121.58 1sx4 h TYR 360 Ca -0.21 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1sx4 h TYR 360 Cb 2.04 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1sx4 h TYR 360 CO 0.11 0.46 0.00 -0.44 -1.64 0.00 0.00 178.16 176.65 1sx4 h ASP 361 N 0.30 0.00 0.00 -2.11 5.19 -1.99 -3.12 116.42 114.69 1sx4 h ASP 361 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1sx4 h ASP 361 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1sx4 h ASP 361 CO 0.03 0.00 0.00 -1.14 -3.12 0.00 0.00 179.24 175.01 1sx4 n ARG 362 N -2.91 0.00 -0.35 3.56 0.63 -0.66 -3.43 116.66 113.50 1sx4 n ARG 362 Ca 0.01 0.48 0.22 0.00 -0.92 0.00 0.00 57.85 57.64 1sx4 n ARG 362 Cb 0.32 -1.01 0.47 0.00 0.45 0.00 0.00 32.46 32.68 1sx4 n ARG 362 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1sx4 h GLU 363 N 0.00 0.41 0.00 -0.14 9.09 -1.58 0.81 114.58 123.17 1sx4 h GLU 363 Ca 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1sx4 h GLU 363 Cb 0.00 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1sx4 h GLU 363 CO 0.00 0.27 -0.13 0.87 0.05 0.00 0.00 179.01 180.07 1sx4 h LYS 364 N 0.42 0.00 0.00 1.06 1.79 -1.71 0.83 116.57 118.95 1sx4 h LYS 364 Ca 0.67 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.89 1sx4 h LYS 364 Cb 1.53 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.14 1sx4 h LYS 364 CO -0.45 0.13 -1.44 -0.07 -1.08 0.00 0.00 179.45 176.54 1sx4 h LEU 365 N 0.00 0.00 0.00 2.94 3.38 0.58 -3.30 115.31 118.91 1sx4 h LEU 365 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1sx4 h LEU 365 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1sx4 h LEU 365 CO 0.02 0.94 -0.47 1.56 0.09 0.00 0.00 178.44 180.57 1sx4 h GLN 366 N 0.00 0.00 0.00 1.13 4.20 -0.70 -1.63 115.11 118.11 1sx4 h GLN 366 Ca -0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1sx4 h GLN 366 Cb 1.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1sx4 h GLN 366 CO 0.09 0.37 -0.19 0.93 -0.67 0.00 0.00 178.83 179.35 1sx4 h GLU 367 N 0.00 0.00 0.09 1.46 5.08 -1.00 -1.62 114.58 118.58 1sx4 h GLU 367 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1sx4 h GLU 367 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1sx4 h GLU 367 CO 0.05 0.19 -1.00 0.00 -1.00 0.00 0.00 179.01 177.25 1sx4 h ARG 368 N 0.00 0.19 -0.59 2.33 3.08 -1.59 -2.53 114.38 115.26 1sx4 h ARG 368 Ca -0.00 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.77 1sx4 h ARG 368 Cb 0.70 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1sx4 h ARG 368 CO 0.03 1.15 0.39 -0.39 -1.07 0.00 0.00 179.97 180.08 1sx4 h VAL 369 N -0.52 1.05 0.10 2.04 -1.51 -1.33 -2.78 116.25 113.29 1sx4 h VAL 369 Ca -0.22 -0.22 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1sx4 h VAL 369 Cb 1.55 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1sx4 h VAL 369 CO 0.04 0.12 -0.05 0.00 -1.23 0.00 0.00 177.57 176.45 1sx4 h ALA 370 N 1.67 -0.82 -0.97 5.19 0.00 -1.35 -1.59 119.26 121.39 1sx4 h ALA 370 Ca 0.24 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 55.45 1sx4 h ALA 370 Cb 0.15 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 1sx4 h ALA 370 CO -0.07 -0.81 0.39 0.87 0.00 0.00 0.00 179.25 179.64 1sx4 h LYS 371 N -0.15 0.14 0.00 0.00 1.57 -1.41 0.33 116.57 117.05 1sx4 h LYS 371 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1sx4 h LYS 371 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1sx4 h LYS 371 CO 0.02 0.09 -0.00 1.25 -0.57 0.00 0.00 179.45 180.24 1sx4 h LEU 372 N 0.14 -0.00 0.00 2.94 5.85 -1.50 -3.27 115.31 119.47 1sx4 h LEU 372 Ca 0.71 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1sx4 h LEU 372 Cb 1.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1sx4 h LEU 372 CO -0.73 0.68 -0.46 0.00 -0.34 0.00 0.00 178.44 177.59 1sx4 h ALA 373 N -0.64 0.74 -0.61 1.25 0.00 -1.15 -3.37 119.26 115.48 1sx4 h ALA 373 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1sx4 h ALA 373 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 373 CO 0.00 0.48 0.16 0.78 0.00 0.00 0.00 179.25 180.68 1sx4 h GLY 374 N 3.64 1.04 0.00 0.00 0.00 -0.47 -3.49 103.07 103.79 1sx4 h GLY 374 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1sx4 h GLY 374 CO 0.05 0.60 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1sx4 n GLY 375 N -0.66 -0.66 3.04 4.60 0.00 -1.23 -4.95 105.19 105.32 1sx4 n GLY 375 Ca 0.03 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1sx4 n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx4 s VAL 376 N -1.37 1.05 -0.29 1.61 1.01 -0.49 -4.22 120.40 117.69 1sx4 s VAL 376 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1sx4 s VAL 376 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1sx4 s VAL 376 CO 0.00 0.32 0.18 0.00 0.00 0.00 0.00 175.10 175.60 1sx4 s ALA 377 N 0.34 3.42 -0.17 5.51 0.00 0.11 -1.68 121.76 129.29 1sx4 s ALA 377 Ca -0.07 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 1sx4 s ALA 377 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1sx4 s ALA 377 CO 0.02 -0.69 0.06 0.14 0.00 0.00 0.00 175.76 175.29 1sx4 s VAL 378 N 1.70 4.80 -0.21 0.00 -7.23 0.50 -1.06 120.40 118.91 1sx4 s VAL 378 Ca 0.06 -0.04 -0.09 0.00 -1.81 0.00 0.00 61.98 60.11 1sx4 s VAL 378 Cb -0.16 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 1sx4 s VAL 378 CO 0.09 0.49 0.10 -0.63 -0.31 0.00 0.00 175.10 174.84 1sx4 s ILE 379 N 0.13 5.06 -0.24 -0.62 1.01 0.55 -1.34 121.20 125.74 1sx4 s ILE 379 Ca 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 1sx4 s ILE 379 Cb -0.12 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1sx4 s ILE 379 CO 0.01 0.42 0.10 -0.54 0.00 0.00 0.00 174.94 174.92 1sx4 s LYS 380 N 0.62 3.80 -0.33 2.79 1.02 -0.14 -0.92 119.74 126.58 1sx4 s LYS 380 Ca 0.06 -0.41 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1sx4 s LYS 380 Cb -0.12 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1sx4 s LYS 380 CO 0.01 -0.09 0.72 0.08 -0.92 0.00 0.00 175.35 175.15 1sx4 s VAL 381 N 1.39 4.82 0.24 3.17 1.01 -0.98 -2.24 120.40 127.82 1sx4 s VAL 381 Ca 0.06 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 1sx4 s VAL 381 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1sx4 s VAL 381 CO 0.05 -0.30 0.44 -0.83 0.00 0.00 0.00 175.10 174.46 1sx4 s GLY 382 N 1.73 1.67 0.19 4.51 0.00 -1.25 -1.41 107.32 112.76 1sx4 s GLY 382 Ca 0.29 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.95 1sx4 s GLY 382 CO 0.14 -0.79 1.02 0.00 0.00 0.00 0.00 173.10 173.47 1sx4 s ALA 383 N -1.99 -1.57 -0.11 3.20 0.00 -1.21 -4.70 121.76 115.38 1sx4 s ALA 383 Ca 0.39 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 1sx4 s ALA 383 Cb -0.11 0.74 -0.16 0.00 0.00 0.00 0.00 23.12 23.59 1sx4 s ALA 383 CO 0.30 -1.06 0.55 0.00 0.00 0.00 0.00 175.76 175.55 1sx4 h ALA 384 N 2.00 -0.03 -2.37 0.00 0.00 -1.87 -3.37 119.26 113.61 1sx4 h ALA 384 Ca -0.27 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 1sx4 h ALA 384 Cb 1.22 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 384 CO 0.35 -0.05 -0.68 -0.08 0.00 0.00 0.00 179.25 178.79 1sx4 s THR 385 N -2.22 3.23 0.23 0.00 -1.32 -1.26 -5.03 115.64 109.27 1sx4 s THR 385 Ca -0.12 -1.95 -0.06 0.00 -1.21 0.00 0.00 61.69 58.36 1sx4 s THR 385 Cb -0.01 -2.69 0.19 0.00 -1.51 0.00 0.00 72.50 68.47 1sx4 s THR 385 CO 0.44 -0.32 1.75 -0.08 -2.21 0.00 0.00 174.62 174.19 1sx4 h GLU 386 N 2.17 0.48 0.75 7.08 4.81 -1.99 0.33 114.58 128.22 1sx4 h GLU 386 Ca -0.44 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1sx4 h GLU 386 Cb 1.24 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1sx4 h GLU 386 CO 0.59 0.32 -0.36 0.28 -0.73 0.00 0.00 179.01 179.11 1sx4 h VAL 387 N 0.50 0.21 -0.77 0.32 2.07 -1.98 -1.70 116.25 114.90 1sx4 h VAL 387 Ca 0.38 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.92 1sx4 h VAL 387 Cb 0.51 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.37 1sx4 h VAL 387 CO -0.34 0.01 -0.31 -0.08 0.02 0.00 0.00 177.57 176.87 1sx4 h GLU 388 N -1.09 -0.07 0.68 1.57 4.81 -1.94 -0.70 114.58 117.83 1sx4 h GLU 388 Ca -0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1sx4 h GLU 388 Cb 0.79 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1sx4 h GLU 388 CO 0.17 -0.05 -0.45 1.98 -0.73 0.00 0.00 179.01 179.94 1sx4 h MET 389 N -0.07 -1.03 0.00 1.92 4.05 -0.66 0.57 114.93 119.71 1sx4 h MET 389 Ca 0.31 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 1sx4 h MET 389 Cb 0.58 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1sx4 h MET 389 CO -0.81 -0.69 0.00 1.63 0.23 0.00 0.00 176.91 177.27 1sx4 n LYS 390 N -5.57 0.48 -0.07 0.39 5.02 -0.66 0.24 118.16 117.98 1sx4 n LYS 390 Ca -0.14 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1sx4 n LYS 390 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1sx4 n LYS 390 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sx4 h GLU 391 N 0.00 0.00 -0.42 1.97 4.22 -0.34 -3.24 114.58 116.76 1sx4 h GLU 391 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 1sx4 h GLU 391 Cb 0.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1sx4 h GLU 391 CO 0.00 0.42 -0.10 -0.22 -2.18 0.00 0.00 179.01 176.93 1sx4 h LYS 392 N -1.00 0.01 -0.98 1.92 3.64 0.46 0.14 116.57 120.76 1sx4 h LYS 392 Ca -0.08 -0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.57 1sx4 h LYS 392 Cb 0.64 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.32 1sx4 h LYS 392 CO -0.05 0.00 0.53 -0.22 -2.27 0.00 0.00 179.45 177.45 1sx4 h LYS 393 N 0.01 0.42 -0.42 1.90 3.64 -0.40 -0.26 116.57 121.45 1sx4 h LYS 393 Ca 0.20 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1sx4 h LYS 393 Cb 0.31 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1sx4 h LYS 393 CO -0.43 0.28 -0.10 0.00 -2.27 0.00 0.00 179.45 176.93 1sx4 h ALA 394 N 1.78 0.59 -0.04 5.00 0.00 -0.78 -2.60 119.26 123.21 1sx4 h ALA 394 Ca 0.66 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1sx4 h ALA 394 Cb 1.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1sx4 h ALA 394 CO -0.54 0.47 -0.51 0.00 0.00 0.00 0.00 179.25 178.66 1sx4 h ARG 395 N 0.64 0.10 -0.22 0.00 3.08 -0.35 -1.63 114.38 116.01 1sx4 h ARG 395 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1sx4 h ARG 395 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1sx4 h ARG 395 CO 0.04 0.59 0.11 0.28 -1.07 0.00 0.00 179.97 179.92 1sx4 h VAL 396 N 0.08 1.13 -0.20 2.04 2.07 -1.01 0.68 116.25 121.03 1sx4 h VAL 396 Ca 0.00 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1sx4 h VAL 396 Cb 0.93 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1sx4 h VAL 396 CO 0.07 0.13 -0.08 -0.33 0.02 0.00 0.00 177.57 177.38 1sx4 h GLU 397 N 0.24 0.32 -0.18 1.57 5.08 -1.26 -0.39 114.58 119.95 1sx4 h GLU 397 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1sx4 h GLU 397 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1sx4 h GLU 397 CO -0.01 0.41 0.09 -0.44 -1.00 0.00 0.00 179.01 178.06 1sx4 h ASP 398 N 0.30 0.23 -0.14 1.42 3.32 -0.67 -2.19 116.42 118.70 1sx4 h ASP 398 Ca 0.06 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1sx4 h ASP 398 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sx4 h ASP 398 CO 0.02 0.29 -0.12 0.00 -1.72 0.00 0.00 179.24 177.71 1sx4 h ALA 399 N 0.95 0.20 -0.90 3.45 0.00 -0.66 -2.17 119.26 120.12 1sx4 h ALA 399 Ca 0.06 -0.31 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 399 Cb 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 1sx4 h ALA 399 CO -0.01 0.05 0.45 1.25 0.00 0.00 0.00 179.25 180.99 1sx4 h LEU 400 N -0.05 0.47 0.31 0.00 5.85 -1.10 0.20 115.31 120.98 1sx4 h LEU 400 Ca 0.02 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1sx4 h LEU 400 Cb 0.63 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1sx4 h LEU 400 CO 0.03 0.10 -0.17 0.45 -0.34 0.00 0.00 178.44 178.51 1sx4 h HIS 401 N 0.52 -0.45 0.00 1.25 3.86 -1.09 -2.30 115.15 116.94 1sx4 h HIS 401 Ca 0.54 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.72 1sx4 h HIS 401 Cb 0.94 0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 1sx4 h HIS 401 CO -0.10 -0.28 -0.09 0.00 0.86 0.00 0.00 177.93 178.33 1sx4 h ALA 402 N 0.23 1.20 0.19 2.45 0.00 -0.34 -2.58 119.26 120.40 1sx4 h ALA 402 Ca -0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 1sx4 h ALA 402 Cb 0.37 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 402 CO 0.05 0.11 -1.59 1.15 0.00 0.00 0.00 179.25 178.97 1sx4 h THR 403 N 0.00 1.13 -0.19 0.00 2.02 -0.61 0.21 112.91 115.46 1sx4 h THR 403 Ca -0.00 -2.68 -0.08 0.00 0.77 0.00 0.00 66.41 64.42 1sx4 h THR 403 Cb 0.33 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1sx4 h THR 403 CO 0.01 0.84 -0.24 0.03 0.37 0.00 0.00 175.52 176.53 1sx4 h ARG 404 N 0.11 0.35 0.05 6.66 3.08 -1.28 0.19 114.38 123.54 1sx4 h ARG 404 Ca -0.28 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1sx4 h ARG 404 Cb 2.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1sx4 h ARG 404 CO 0.21 0.57 -0.02 0.00 -1.07 0.00 0.00 179.97 179.65 1sx4 h ALA 405 N 1.44 -0.06 -0.74 0.04 0.00 -1.43 -3.09 119.26 115.41 1sx4 h ALA 405 Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sx4 h ALA 405 Cb 0.60 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1sx4 h ALA 405 CO 0.04 -0.28 0.46 0.00 0.00 0.00 0.00 179.25 179.47 1sx4 h ALA 406 N 0.32 0.99 0.09 0.00 0.00 -0.07 -2.69 119.26 117.92 1sx4 h ALA 406 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 406 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1sx4 h ALA 406 CO 0.01 0.21 -0.32 0.28 0.00 0.00 0.00 179.25 179.43 1sx4 h VAL 407 N 0.87 0.31 -0.43 0.00 2.07 -0.68 0.43 116.25 118.83 1sx4 h VAL 407 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 1sx4 h VAL 407 Cb 0.09 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1sx4 h VAL 407 CO -0.14 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.21 1sx4 h GLU 408 N -0.53 0.21 0.00 1.57 5.08 -1.40 -3.36 114.58 116.16 1sx4 h GLU 408 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1sx4 h GLU 408 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1sx4 h GLU 408 CO -0.21 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.34 1sx4 n GLU 409 N -5.10 0.80 -0.06 2.33 1.02 -1.07 -5.06 120.64 113.50 1sx4 n GLU 409 Ca 0.03 -0.73 0.01 0.00 -0.02 0.00 0.00 57.16 56.46 1sx4 n GLU 409 Cb 0.20 -0.69 -0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1sx4 n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx4 n GLY 410 N -0.15 -2.12 3.54 0.62 0.00 0.15 -4.38 105.19 102.86 1sx4 n GLY 410 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 1sx4 n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sx4 s VAL 411 N -0.54 2.26 0.33 1.61 -7.23 -0.83 1.00 120.40 116.99 1sx4 s VAL 411 Ca 0.00 -2.21 -0.10 0.00 -1.81 0.00 0.00 61.98 57.86 1sx4 s VAL 411 Cb 0.00 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1sx4 s VAL 411 CO 0.00 -0.21 0.58 0.68 -0.31 0.00 0.00 175.10 175.84 1sx4 s VAL 412 N -2.60 0.00 -0.16 1.32 -7.23 -0.47 -1.45 120.40 109.80 1sx4 s VAL 412 Ca 0.32 -1.35 -0.36 0.00 -1.81 0.00 0.00 61.98 58.79 1sx4 s VAL 412 Cb 0.02 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.26 1sx4 s VAL 412 CO 0.16 0.00 1.88 0.00 -0.31 0.00 0.00 175.10 176.83 1sx4 n ALA 413 N -0.51 0.64 1.69 1.32 0.00 -1.26 -1.52 120.51 120.87 1sx4 n ALA 413 Ca -0.03 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.84 1sx4 n ALA 413 Cb 0.61 -2.44 0.83 0.00 0.00 0.00 0.00 19.45 18.45 1sx4 n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 414 N 4.54 -1.04 0.71 0.00 0.00 0.10 -2.42 105.19 107.09 1sx4 n GLY 414 Ca 0.25 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 0.96 0.82 0.72 -0.02 0.00 -1.26 -4.64 105.19 101.77 1sx4 n GLY 415 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1sx4 n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 416 N 1.06 2.80 0.26 -0.02 0.00 -1.26 -4.44 105.19 103.59 1sx4 n GLY 416 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1sx4 n GLY 416 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sx4 n VAL 417 N 0.00 -0.35 -0.06 1.61 0.31 -1.26 -0.42 118.33 118.16 1sx4 n VAL 417 Ca 0.00 1.61 -0.08 0.00 -0.01 0.00 0.00 64.34 65.87 1sx4 n VAL 417 Cb 0.00 -2.15 -0.01 0.00 -0.91 0.00 0.00 33.84 30.76 1sx4 n VAL 417 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sx4 h ALA 418 N 1.06 0.22 -0.16 3.52 0.00 -1.84 -0.20 119.26 121.86 1sx4 h ALA 418 Ca 0.26 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1sx4 h ALA 418 Cb 0.44 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sx4 h ALA 418 CO -0.69 -0.42 -0.02 -0.07 0.00 0.00 0.00 179.25 178.04 1sx4 h LEU 419 N 0.07 0.30 -0.88 0.00 -0.00 -1.02 -0.44 115.31 113.33 1sx4 h LEU 419 Ca 0.12 -0.35 0.24 0.00 -0.00 0.00 0.00 57.88 57.89 1sx4 h LEU 419 Cb 0.16 -0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 40.59 1sx4 h LEU 419 CO -0.21 0.57 0.22 0.40 -0.00 0.00 0.00 178.44 179.42 1sx4 h ILE 420 N 0.01 0.29 0.54 1.22 1.08 -0.86 -1.86 117.51 117.93 1sx4 h ILE 420 Ca 0.04 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 1sx4 h ILE 420 Cb 0.43 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1sx4 h ILE 420 CO 0.01 0.03 -0.26 -0.09 -0.69 0.00 0.00 178.15 177.16 1sx4 h ARG 421 N 0.18 -0.70 -0.61 2.37 9.65 -0.29 -2.85 114.38 122.13 1sx4 h ARG 421 Ca 0.56 0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.47 1sx4 h ARG 421 Cb 1.13 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.84 1sx4 h ARG 421 CO -0.68 -0.39 0.34 -0.39 2.80 0.00 0.00 179.97 181.65 1sx4 h VAL 422 N -1.00 1.18 -0.64 0.20 -1.51 -0.53 -0.92 116.25 113.02 1sx4 h VAL 422 Ca -0.07 -0.46 -0.08 0.00 -1.23 0.00 0.00 66.70 64.86 1sx4 h VAL 422 Cb 0.63 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.12 1sx4 h VAL 422 CO 0.12 0.20 0.09 0.00 -1.23 0.00 0.00 177.57 176.76 1sx4 h ALA 423 N 1.52 0.95 0.00 5.19 0.00 -1.37 -2.65 119.26 122.90 1sx4 h ALA 423 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 423 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1sx4 h ALA 423 CO -0.04 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.53 1sx4 h SER 424 N 0.99 0.00 0.18 0.00 4.64 -0.93 -3.11 113.55 115.32 1sx4 h SER 424 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1sx4 h SER 424 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1sx4 h SER 424 CO 0.01 0.00 -0.09 0.11 -0.87 0.00 0.00 176.83 176.00 1sx4 h LYS 425 N 0.00 -0.24 -2.29 4.77 1.57 -1.10 -3.33 116.57 115.95 1sx4 h LYS 425 Ca 0.00 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.24 1sx4 h LYS 425 Cb 0.41 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 1sx4 h LYS 425 CO 0.00 0.07 1.25 1.47 -0.57 0.00 0.00 179.45 181.67 1sx4 n LEU 426 N -4.93 7.02 -1.91 2.94 -0.00 -1.05 -4.41 117.00 114.66 1sx4 n LEU 426 Ca -0.06 -4.24 0.03 0.00 -0.00 0.00 0.00 56.01 51.74 1sx4 n LEU 426 Cb 0.21 -1.33 0.38 0.00 -0.00 0.00 0.00 43.42 42.67 1sx4 n LEU 426 CO 0.17 1.87 0.91 0.00 -0.00 0.00 0.00 177.39 180.34 1sx4 n ALA 427 N 1.61 4.07 0.03 1.47 0.00 -1.22 -3.18 120.51 123.29 1sx4 n ALA 427 Ca 0.55 -1.99 0.09 0.00 0.00 0.00 0.00 53.44 52.09 1sx4 n ALA 427 Cb 0.47 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 1sx4 n ALA 427 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sx4 n ASP 428 N 0.42 0.68 -3.79 0.00 8.00 -1.26 -5.06 116.55 115.53 1sx4 n ASP 428 Ca 0.31 -0.04 -0.46 0.00 0.71 0.00 0.00 54.79 55.31 1sx4 n ASP 428 Cb 1.24 1.83 -0.05 0.00 -0.02 0.00 0.00 41.12 44.12 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 -2.12 -0.50 -4.48 0.64 7.94 -1.19 -4.96 117.00 112.32 1sx4 n LEU 429 Ca -0.03 0.98 -0.23 0.00 -1.11 0.00 0.00 56.01 55.62 1sx4 n LEU 429 Cb 0.48 -0.80 -0.11 0.00 0.53 0.00 0.00 43.42 43.53 1sx4 n LEU 429 CO 0.40 -2.05 -0.29 -0.13 -1.11 0.00 0.00 177.39 174.21 1sx4 s ARG 430 N -0.39 1.70 0.00 1.96 1.81 -1.26 -4.98 118.95 117.78 1sx4 s ARG 430 Ca 0.67 -1.94 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1sx4 s ARG 430 Cb -0.95 -1.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.49 1sx4 s ARG 430 CO 0.48 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1sx4 n GLY 431 N -0.73 5.75 0.69 -3.53 0.00 -1.26 -4.98 105.19 101.13 1sx4 n GLY 431 Ca -0.03 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 0.21 -1.79 1.61 3.00 -1.26 -4.89 117.38 114.27 1sx4 n GLN 432 Ca 0.00 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 1sx4 n GLN 432 Cb 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 30.24 29.37 1sx4 n GLN 432 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1sx4 s ASN 433 N -5.92 6.37 0.37 1.08 3.04 -1.26 -4.80 114.94 113.82 1sx4 s ASN 433 Ca -0.14 2.97 0.23 0.00 0.04 0.00 0.00 52.86 55.96 1sx4 s ASN 433 Cb 0.05 -2.64 1.27 0.00 -1.54 0.00 0.00 41.25 38.38 1sx4 s ASN 433 CO 0.17 -0.90 1.70 1.05 -3.04 0.00 0.00 177.10 176.08 1sx4 h GLU 434 N 4.48 0.00 -0.27 0.43 4.11 -2.00 0.54 114.58 121.87 1sx4 h GLU 434 Ca -0.48 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 1sx4 h GLU 434 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1sx4 h GLU 434 CO 0.76 0.00 -0.29 -0.44 0.07 0.00 0.00 179.01 179.12 1sx4 h ASP 435 N 0.00 0.57 0.73 3.06 3.32 -1.96 -2.92 116.42 119.22 1sx4 h ASP 435 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 1sx4 h ASP 435 Cb 0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1sx4 h ASP 435 CO 0.00 0.83 -0.75 1.56 -1.72 0.00 0.00 179.24 179.16 1sx4 h GLN 436 N 0.48 0.02 -0.23 3.56 4.20 -1.09 -2.43 115.11 119.62 1sx4 h GLN 436 Ca 0.06 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.81 1sx4 h GLN 436 Cb 0.74 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1sx4 h GLN 436 CO 0.06 0.76 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.92 1sx4 h ASN 437 N 0.01 -0.46 -0.95 1.46 2.35 -1.47 0.69 115.58 117.22 1sx4 h ASN 437 Ca -0.01 0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1sx4 h ASN 437 Cb 1.32 0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.88 1sx4 h ASN 437 CO 0.10 -0.18 0.62 0.58 -1.65 0.00 0.00 177.43 176.90 1sx4 h VAL 438 N -0.13 1.17 0.24 2.81 2.07 -1.40 0.12 116.25 121.13 1sx4 h VAL 438 Ca 0.13 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1sx4 h VAL 438 Cb 0.32 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1sx4 h VAL 438 CO -0.30 0.22 -0.32 1.23 0.02 0.00 0.00 177.57 178.42 1sx4 h GLY 439 N 1.21 -0.69 0.77 2.17 0.00 -0.62 0.33 103.07 106.23 1sx4 h GLY 439 Ca 0.37 0.37 0.03 0.00 0.00 0.00 0.00 47.33 48.10 1sx4 h GLY 439 CO -0.11 -0.26 0.03 -2.22 0.00 0.00 0.00 176.54 173.98 1sx4 h ILE 440 N -0.62 0.90 0.27 2.60 2.04 0.13 -1.89 117.51 120.94 1sx4 h ILE 440 Ca 0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1sx4 h ILE 440 Cb 0.59 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1sx4 h ILE 440 CO -0.11 0.02 -0.37 0.11 0.00 0.00 0.00 178.15 177.80 1sx4 h LYS 441 N 0.11 -0.64 -0.64 2.37 1.57 -0.32 0.12 116.57 119.14 1sx4 h LYS 441 Ca 0.09 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1sx4 h LYS 441 Cb 0.09 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.45 1sx4 h LYS 441 CO -0.12 -0.43 -0.27 0.28 -0.57 0.00 0.00 179.45 178.33 1sx4 n VAL 442 N -4.61 -0.36 -0.17 0.50 0.31 0.11 0.95 118.33 115.06 1sx4 n VAL 442 Ca -0.08 1.52 -0.09 0.00 -0.01 0.00 0.00 64.34 65.68 1sx4 n VAL 442 Cb 0.32 -1.98 0.05 0.00 -0.91 0.00 0.00 33.84 31.32 1sx4 n VAL 442 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sx4 h ALA 443 N 0.79 0.85 0.12 3.52 0.00 -0.66 -0.96 119.26 122.91 1sx4 h ALA 443 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 443 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sx4 h ALA 443 CO -0.63 0.66 -0.06 -0.07 0.00 0.00 0.00 179.25 179.14 1sx4 h LEU 444 N 0.89 -0.14 -1.42 0.00 3.38 0.32 -2.79 115.31 115.56 1sx4 h LEU 444 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sx4 h LEU 444 Cb 0.61 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1sx4 h LEU 444 CO 0.04 0.15 -0.12 -0.09 0.09 0.00 0.00 178.44 178.51 1sx4 h ARG 445 N -0.44 0.00 -0.28 1.13 2.43 -0.60 -0.28 114.38 116.33 1sx4 h ARG 445 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1sx4 h ARG 445 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1sx4 h ARG 445 CO 0.03 0.12 0.09 0.00 -1.51 0.00 0.00 179.97 178.70 1sx4 h ALA 446 N 1.88 1.64 0.00 2.80 0.00 -0.91 -2.65 119.26 122.01 1sx4 h ALA 446 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sx4 h ALA 446 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sx4 h ALA 446 CO 0.02 0.29 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 1sx4 n MET 447 N -4.40 0.06 0.10 0.00 2.81 -0.11 -1.57 117.12 114.01 1sx4 n MET 447 Ca 0.01 0.26 0.13 0.00 -1.81 0.00 0.00 57.70 56.29 1sx4 n MET 447 Cb 0.14 -1.60 0.38 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.71 0.27 0.16 0.03 1.02 -1.00 -3.71 120.64 115.70 1sx4 n GLU 448 Ca 0.04 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1sx4 n GLU 448 Cb 0.22 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 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 2.51 -0.37 -0.26 0.62 0.00 -1.45 -0.00 119.26 120.31 1sx4 h ALA 449 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1sx4 h ALA 449 Cb 0.74 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1sx4 h ALA 449 CO 0.00 -0.72 -0.10 -1.35 0.00 0.00 0.00 179.25 177.07 1sx4 h PRO 450 N -0.39 -0.06 0.28 0.00 0.11 -1.80 0.23 132.00 130.38 1sx4 h PRO 450 Ca -0.02 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1sx4 h PRO 450 Cb 0.34 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1sx4 h PRO 450 CO 0.00 -0.04 -0.37 1.25 -0.21 0.00 0.00 178.00 178.63 1sx4 h LEU 451 N -0.06 -1.04 -0.96 2.35 5.85 -1.57 0.24 115.31 120.12 1sx4 h LEU 451 Ca 0.14 0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.11 1sx4 h LEU 451 Cb 0.26 0.37 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 1sx4 h LEU 451 CO -0.31 -0.49 0.57 0.03 -0.34 0.00 0.00 178.44 177.90 1sx4 h ARG 452 N -0.71 0.78 -0.15 1.25 3.08 -0.18 -1.16 114.38 117.29 1sx4 h ARG 452 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1sx4 h ARG 452 Cb 0.67 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1sx4 h ARG 452 CO -0.12 0.51 0.02 0.37 -1.07 0.00 0.00 179.97 179.68 1sx4 h GLN 453 N 0.80 0.24 -0.29 0.04 5.75 0.02 -1.64 115.11 120.02 1sx4 h GLN 453 Ca 0.52 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 59.02 1sx4 h GLN 453 Cb 0.69 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.14 1sx4 h GLN 453 CO -0.34 0.42 -0.17 0.82 -2.65 0.00 0.00 178.83 176.91 1sx4 h ILE 454 N 0.02 0.50 -0.86 2.39 1.08 0.62 -1.52 117.51 119.73 1sx4 h ILE 454 Ca 0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.59 1sx4 h ILE 454 Cb 0.30 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 1sx4 h ILE 454 CO 0.00 0.00 0.52 0.58 -0.69 0.00 0.00 178.15 178.56 1sx4 h VAL 455 N -0.14 0.98 0.00 1.67 2.07 -1.29 -2.49 116.25 117.05 1sx4 h VAL 455 Ca 0.16 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sx4 h VAL 455 Cb 0.38 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1sx4 h VAL 455 CO -0.38 0.16 -0.00 0.25 0.02 0.00 0.00 177.57 177.62 1sx4 h LEU 456 N 0.90 -0.00 -1.04 2.57 5.85 -0.32 -1.58 115.31 121.68 1sx4 h LEU 456 Ca 0.40 -0.26 0.26 0.00 0.84 0.00 0.00 57.88 59.11 1sx4 h LEU 456 Cb 0.28 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.19 1sx4 h LEU 456 CO -0.21 0.26 0.60 0.78 -0.34 0.00 0.00 178.44 179.53 1sx4 h ASN 457 N -0.27 0.64 0.90 1.25 4.21 -1.21 0.90 115.58 122.00 1sx4 h ASN 457 Ca -0.00 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1sx4 h ASN 457 Cb 0.27 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1sx4 h ASN 457 CO 0.00 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.22 1sx4 n GLY 459 N -0.04 0.75 3.93 0.00 0.00 0.31 -5.04 105.19 105.10 1sx4 n GLY 459 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1sx4 n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sx4 s GLU 460 N -0.49 1.98 -0.17 1.61 0.41 -0.95 -5.01 118.70 116.09 1sx4 s GLU 460 Ca 0.00 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.04 1sx4 s GLU 460 Cb 0.00 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 1sx4 s GLU 460 CO 0.00 -1.44 1.15 -1.21 -0.49 0.00 0.00 175.26 173.27 1sx4 s GLU 461 N -5.37 4.28 0.00 1.61 0.41 -1.26 -3.94 118.70 114.43 1sx4 s GLU 461 Ca 0.62 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.71 1sx4 s GLU 461 Cb -0.10 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.58 1sx4 s GLU 461 CO 0.46 -0.60 0.22 -2.30 -0.49 0.00 0.00 175.26 172.55 1sx4 n PRO 462 N 6.13 0.00 0.00 0.39 -0.02 -1.26 -2.65 135.00 137.59 1sx4 n PRO 462 Ca 0.12 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1sx4 n PRO 462 Cb 0.46 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1sx4 n PRO 462 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sx4 n SER 463 N -1.21 0.00 0.16 2.55 3.41 -1.26 -0.81 113.62 116.46 1sx4 n SER 463 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1sx4 n SER 463 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.59 -1.00 -3.33 2.07 -1.99 -1.43 116.25 111.16 1sx4 h VAL 464 Ca 0.00 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1sx4 h VAL 464 Cb 0.00 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1sx4 h VAL 464 CO 0.00 0.11 0.65 0.58 0.02 0.00 0.00 177.57 178.93 1sx4 h VAL 465 N -0.87 1.14 0.08 2.57 2.07 -0.85 -2.58 116.25 117.81 1sx4 h VAL 465 Ca -0.05 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1sx4 h VAL 465 Cb 0.53 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1sx4 h VAL 465 CO 0.07 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 1sx4 h ALA 466 N 1.43 -0.11 -0.19 1.67 0.00 -0.97 0.40 119.26 121.48 1sx4 h ALA 466 Ca 0.41 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1sx4 h ALA 466 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1sx4 h ALA 466 CO -0.14 -0.51 -0.09 -0.97 0.00 0.00 0.00 179.25 177.54 1sx4 h ASN 467 N -0.22 -0.30 -0.37 0.00 -1.24 -1.14 -0.15 115.58 112.17 1sx4 h ASN 467 Ca -0.01 0.07 -0.09 0.00 0.71 0.00 0.00 56.30 56.99 1sx4 h ASN 467 Cb 0.18 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 1sx4 h ASN 467 CO 0.02 -0.12 -0.07 0.71 -1.29 0.00 0.00 177.43 176.68 1sx4 h THR 468 N -0.07 1.25 -0.86 -3.57 1.35 -1.37 -1.45 112.91 108.19 1sx4 h THR 468 Ca 0.10 -1.11 0.05 0.00 -0.55 0.00 0.00 66.41 64.91 1sx4 h THR 468 Cb 0.22 0.98 -0.06 0.00 -1.73 0.00 0.00 68.15 67.56 1sx4 h THR 468 CO -0.23 0.38 0.55 0.58 -0.25 0.00 0.00 175.52 176.54 1sx4 h VAL 469 N 0.72 1.09 -0.25 6.82 2.07 -0.22 -1.63 116.25 124.85 1sx4 h VAL 469 Ca 0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1sx4 h VAL 469 Cb 0.54 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1sx4 h VAL 469 CO 0.03 0.19 0.12 0.11 0.02 0.00 0.00 177.57 178.03 1sx4 h LYS 470 N 1.03 0.35 -0.25 1.57 1.57 -0.74 -2.89 116.57 117.20 1sx4 h LYS 470 Ca 0.36 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 1sx4 h LYS 470 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1sx4 h LYS 470 CO -0.15 0.28 0.20 0.78 -0.57 0.00 0.00 179.45 180.00 1sx4 h GLY 471 N 0.46 0.00 0.00 3.86 0.00 -0.24 -3.43 103.07 103.71 1sx4 h GLY 471 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sx4 h GLY 471 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1sx4 n GLY 472 N -1.52 0.99 3.36 4.60 0.00 -1.09 -5.12 105.19 106.41 1sx4 n GLY 472 Ca 0.03 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 0.56 1.18 1.61 1.01 -1.26 -5.04 116.67 113.74 1sx4 s ASP 473 Ca 0.00 -1.39 0.00 0.00 0.71 0.00 0.00 52.55 51.87 1sx4 s ASP 473 Cb 0.00 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1sx4 s ASP 473 CO 0.00 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 174.94 1sx4 n GLY 474 N -0.43 3.13 1.90 0.21 0.00 -1.26 -1.69 105.19 107.05 1sx4 n GLY 474 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1sx4 n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sx4 n ASN 475 N 3.13 4.17 -4.75 1.61 3.02 -1.26 -4.95 115.26 116.23 1sx4 n ASN 475 Ca 0.00 -3.72 -0.41 0.00 -0.03 0.00 0.00 54.58 50.43 1sx4 n ASN 475 Cb 0.00 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.37 1sx4 n ASN 475 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sx4 s TYR 476 N -3.41 3.44 0.00 3.10 5.04 -0.68 0.13 117.35 124.96 1sx4 s TYR 476 Ca 0.54 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 1sx4 s TYR 476 Cb 0.46 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 39.36 1sx4 s TYR 476 CO 0.05 -1.06 0.00 0.41 -1.34 0.00 0.00 175.55 173.61 1sx4 n GLY 477 N 1.70 1.90 3.24 8.97 0.00 0.20 -4.79 105.19 116.42 1sx4 n GLY 477 Ca 0.02 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1sx4 n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sx4 s TYR 478 N -8.56 2.61 -0.58 1.61 5.04 -1.26 -1.93 117.35 114.28 1sx4 s TYR 478 Ca 0.00 -1.01 -0.14 0.00 -2.44 0.00 0.00 57.07 53.48 1sx4 s TYR 478 Cb 0.00 -1.74 0.14 0.00 0.35 0.00 0.00 41.96 40.71 1sx4 s TYR 478 CO 0.00 -0.41 0.51 1.21 -1.34 0.00 0.00 175.55 175.52 1sx4 s ASN 479 N 0.39 6.14 0.44 4.32 2.47 -0.54 -4.83 114.94 123.34 1sx4 s ASN 479 Ca -0.16 -2.02 0.17 0.00 0.42 0.00 0.00 52.86 51.27 1sx4 s ASN 479 Cb -0.17 -2.15 1.11 0.00 -1.45 0.00 0.00 41.25 38.59 1sx4 s ASN 479 CO 0.07 -0.75 1.92 0.00 -3.72 0.00 0.00 177.10 174.63 1sx4 h ALA 480 N 8.52 2.19 -0.68 1.71 0.00 -1.95 0.24 119.26 129.29 1sx4 h ALA 480 Ca -0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sx4 h ALA 480 Cb 1.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1sx4 h ALA 480 CO 0.93 -0.39 0.23 0.00 0.00 0.00 0.00 179.25 180.02 1sx4 h ALA 481 N 1.65 0.89 -0.35 0.00 0.00 -1.94 -3.06 119.26 116.46 1sx4 h ALA 481 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 481 Cb 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1sx4 h ALA 481 CO -0.10 0.56 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1sx4 n THR 482 N -4.34 1.03 -2.21 0.00 -2.24 -0.40 -4.96 114.28 101.16 1sx4 n THR 482 Ca 0.05 -1.02 -0.05 0.00 -2.27 0.00 0.00 64.05 60.76 1sx4 n THR 482 Cb 0.21 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1sx4 n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sx4 n GLU 483 N 0.49 -2.36 -4.52 -0.78 1.02 0.72 -4.99 120.64 110.22 1sx4 n GLU 483 Ca 0.12 0.26 -0.34 0.00 -0.02 0.00 0.00 57.16 57.18 1sx4 n GLU 483 Cb 0.44 -4.72 -0.11 0.00 -0.02 0.00 0.00 31.44 27.04 1sx4 n GLU 483 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sx4 s GLU 484 N -4.50 2.90 0.56 3.49 2.02 -1.18 -4.89 118.70 117.09 1sx4 s GLU 484 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 1sx4 s GLU 484 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 1sx4 s GLU 484 CO 0.00 0.65 0.91 0.71 0.02 0.00 0.00 175.26 177.55 1sx4 s TYR 485 N -0.75 3.54 -3.42 1.61 1.51 -1.26 -1.46 117.35 117.11 1sx4 s TYR 485 Ca 0.12 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.16 1sx4 s TYR 485 Cb -0.11 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.18 1sx4 s TYR 485 CO 0.02 -0.56 0.00 0.41 -1.11 0.00 0.00 175.55 174.31 1sx4 n GLY 486 N -2.53 -0.59 3.45 0.71 0.00 -0.81 -4.95 105.19 100.48 1sx4 n GLY 486 Ca 0.03 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 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 6.19 0.43 1.61 3.84 -1.26 0.59 114.94 122.35 1sx4 s ASN 487 Ca 0.00 -0.88 0.21 0.00 0.21 0.00 0.00 52.86 52.40 1sx4 s ASN 487 Cb 0.00 -2.23 1.18 0.00 -0.55 0.00 0.00 41.25 39.65 1sx4 s ASN 487 CO 0.00 -0.69 1.81 0.24 -2.79 0.00 0.00 177.10 175.67 1sx4 h MET 488 N 8.81 0.31 0.19 0.43 2.86 -0.62 0.74 114.93 127.66 1sx4 h MET 488 Ca -0.27 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1sx4 h MET 488 Cb 1.11 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1sx4 h MET 488 CO 0.86 0.20 -0.09 0.82 1.06 0.00 0.00 176.91 179.76 1sx4 h ILE 489 N 0.32 0.24 -0.89 -1.22 2.04 -1.76 -0.26 117.51 115.98 1sx4 h ILE 489 Ca 0.54 -0.93 0.24 0.00 1.00 0.00 0.00 64.86 65.71 1sx4 h ILE 489 Cb 1.51 0.42 -0.14 0.00 -0.74 0.00 0.00 36.82 37.87 1sx4 h ILE 489 CO -0.20 0.07 0.25 0.44 0.00 0.00 0.00 178.15 178.71 1sx4 h ASP 490 N -1.04 0.02 0.00 1.72 5.19 -1.78 0.22 116.42 120.75 1sx4 h ASP 490 Ca -0.03 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1sx4 h ASP 490 Cb 0.31 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1sx4 h ASP 490 CO 0.04 -0.16 0.00 0.23 -3.12 0.00 0.00 179.24 176.24 1sx4 n MET 491 N -5.22 0.58 -1.49 3.56 2.81 0.20 -4.86 117.12 112.71 1sx4 n MET 491 Ca 0.22 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.05 1sx4 n MET 491 Cb 0.70 -1.39 -0.02 0.00 -0.71 0.00 0.00 33.22 31.81 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 0.15 0.57 3.09 3.03 0.00 0.78 -5.01 105.19 107.81 1sx4 n GLY 492 Ca 0.11 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1sx4 n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sx4 s ILE 493 N -2.22 3.88 0.09 -0.61 -1.09 -0.14 -4.99 121.20 116.12 1sx4 s ILE 493 Ca 0.00 -3.25 0.06 0.00 -2.23 0.00 0.00 60.65 55.23 1sx4 s ILE 493 Cb 0.00 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1sx4 s ILE 493 CO 0.00 -0.94 -0.15 -1.48 -1.23 0.00 0.00 174.94 171.13 1sx4 s LEU 494 N -0.46 2.32 0.03 2.97 2.34 -1.26 0.00 118.68 124.62 1sx4 s LEU 494 Ca 0.20 -0.68 0.09 0.00 0.06 0.00 0.00 54.13 53.80 1sx4 s LEU 494 Cb -0.16 -0.60 -0.03 0.00 -0.56 0.00 0.00 46.19 44.84 1sx4 s LEU 494 CO -0.06 -0.07 -0.26 -1.81 -1.06 0.00 0.00 176.35 173.09 1sx4 s ASP 495 N -1.97 3.08 0.55 1.48 1.01 -0.57 -4.62 116.67 115.62 1sx4 s ASP 495 Ca 0.03 -0.56 -0.20 0.00 0.71 0.00 0.00 52.55 52.53 1sx4 s ASP 495 Cb -0.09 -0.29 -0.07 0.00 1.01 0.00 0.00 42.92 43.48 1sx4 s ASP 495 CO 0.03 0.26 0.86 -2.65 0.21 0.00 0.00 175.17 173.88 1sx4 n PRO 496 N 1.91 0.91 -0.06 8.23 -0.02 -1.26 -1.37 135.00 143.33 1sx4 n PRO 496 Ca -0.17 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1sx4 n PRO 496 Cb 0.52 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1sx4 n PRO 496 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sx4 h THR 497 N 0.69 1.08 -0.78 3.45 2.02 0.44 -2.22 112.91 117.59 1sx4 h THR 497 Ca -0.47 -0.18 0.16 0.00 0.77 0.00 0.00 66.41 66.69 1sx4 h THR 497 Cb 1.37 0.77 -0.15 0.00 -1.74 0.00 0.00 68.15 68.39 1sx4 h THR 497 CO 0.51 0.08 -0.20 0.50 0.37 0.00 0.00 175.52 176.78 1sx4 h LYS 498 N 0.31 -0.00 -0.17 6.66 3.64 -1.82 0.02 116.57 125.21 1sx4 h LYS 498 Ca 0.09 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 1sx4 h LYS 498 Cb -0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sx4 h LYS 498 CO -0.02 -0.00 -0.52 -0.39 -2.27 0.00 0.00 179.45 176.26 1sx4 h VAL 499 N -0.00 1.33 -0.83 2.00 -1.51 -1.70 0.66 116.25 116.20 1sx4 h VAL 499 Ca 0.37 -1.77 -0.03 0.00 -1.23 0.00 0.00 66.70 64.04 1sx4 h VAL 499 Cb 0.57 1.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.67 1sx4 h VAL 499 CO -0.80 0.55 0.40 0.74 -1.23 0.00 0.00 177.57 177.22 1sx4 h THR 500 N 0.31 1.26 0.53 7.19 2.02 -0.93 -0.19 112.91 123.11 1sx4 h THR 500 Ca -0.02 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1sx4 h THR 500 Cb 1.14 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1sx4 h THR 500 CO 0.11 0.31 -0.25 -0.09 0.37 0.00 0.00 175.52 175.96 1sx4 h ARG 501 N 1.18 -0.69 -0.47 6.66 2.43 -0.71 -2.49 114.38 120.30 1sx4 h ARG 501 Ca 0.29 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 1sx4 h ARG 501 Cb 0.12 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1sx4 h ARG 501 CO -0.04 -0.39 -0.11 0.77 -1.51 0.00 0.00 179.97 178.70 1sx4 h SER 502 N -0.91 -0.41 -0.65 -3.80 0.02 -0.75 0.76 113.55 107.81 1sx4 h SER 502 Ca -0.07 0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1sx4 h SER 502 Cb 0.61 0.28 -0.12 0.00 0.14 0.00 0.00 62.40 63.32 1sx4 h SER 502 CO 0.12 -0.15 -0.36 0.00 -1.14 0.00 0.00 176.83 175.30 1sx4 h ALA 503 N 1.47 -0.08 -0.54 3.77 0.00 -1.03 -0.44 119.26 122.41 1sx4 h ALA 503 Ca 0.23 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1sx4 h ALA 503 Cb 0.35 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1sx4 h ALA 503 CO -0.48 -0.70 -0.04 1.25 0.00 0.00 0.00 179.25 179.29 1sx4 h LEU 504 N -0.15 0.97 -0.62 0.00 6.46 0.77 0.81 115.31 123.55 1sx4 h LEU 504 Ca 0.24 -0.32 -0.15 0.00 -0.12 0.00 0.00 57.88 57.52 1sx4 h LEU 504 Cb 0.56 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1sx4 h LEU 504 CO -0.72 1.06 -0.59 1.56 -0.62 0.00 0.00 178.44 179.12 1sx4 h GLN 505 N 0.86 0.32 0.06 1.25 4.20 0.41 -0.14 115.11 122.07 1sx4 h GLN 505 Ca 0.15 -0.22 -0.24 0.00 0.06 0.00 0.00 58.65 58.40 1sx4 h GLN 505 Cb 0.58 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1sx4 h GLN 505 CO 0.03 0.82 -1.13 1.88 -0.67 0.00 0.00 178.83 179.76 1sx4 h TYR 506 N 0.24 0.23 -0.46 2.96 0.05 -0.81 -1.46 116.97 117.72 1sx4 h TYR 506 Ca -0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 1sx4 h TYR 506 Cb 1.10 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1sx4 h TYR 506 CO 0.03 1.13 0.15 0.00 -1.05 0.00 0.00 178.16 178.42 1sx4 h ALA 507 N 0.80 0.59 0.00 3.88 0.00 -0.48 -3.05 119.26 121.01 1sx4 h ALA 507 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1sx4 h ALA 507 Cb 1.87 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1sx4 h ALA 507 CO 0.16 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.56 1sx4 h ALA 508 N 1.00 1.47 -0.14 0.00 0.00 -0.45 -2.13 119.26 119.01 1sx4 h ALA 508 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 508 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sx4 h ALA 508 CO -0.01 0.11 -0.52 1.03 0.00 0.00 0.00 179.25 179.87 1sx4 h SER 509 N 0.00 0.69 1.71 0.00 0.87 -1.17 -0.13 113.55 115.53 1sx4 h SER 509 Ca -0.00 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 59.91 1sx4 h SER 509 Cb 0.21 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1sx4 h SER 509 CO 0.01 1.19 -0.29 1.62 -0.53 0.00 0.00 176.83 178.83 1sx4 h VAL 510 N 0.24 0.25 -0.03 2.23 3.04 -1.41 -0.89 116.25 119.68 1sx4 h VAL 510 Ca -0.03 -1.37 -0.14 0.00 -1.01 0.00 0.00 66.70 64.16 1sx4 h VAL 510 Cb 1.15 2.06 0.01 0.00 -2.01 0.00 0.00 31.29 32.50 1sx4 h VAL 510 CO 0.11 0.14 -0.51 0.00 -1.01 0.00 0.00 177.57 176.30 1sx4 h ALA 511 N 1.84 0.10 -0.48 3.17 0.00 -1.19 -2.23 119.26 120.46 1sx4 h ALA 511 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.46 1sx4 h ALA 511 Cb 1.13 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1sx4 h ALA 511 CO 0.02 0.31 0.06 0.78 0.00 0.00 0.00 179.25 180.42 1sx4 h GLY 512 N -0.12 0.55 0.15 0.00 0.00 -0.80 -0.65 103.07 102.20 1sx4 h GLY 512 Ca -0.06 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1sx4 h GLY 512 CO 0.10 -0.09 -0.19 1.41 0.00 0.00 0.00 176.54 177.77 1sx4 h LEU 513 N 0.18 -0.62 -0.04 3.11 4.07 -1.04 -1.09 115.31 119.89 1sx4 h LEU 513 Ca 0.24 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.33 1sx4 h LEU 513 Cb 0.34 0.32 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1sx4 h LEU 513 CO -0.35 -0.22 -0.01 0.24 -1.08 0.00 0.00 178.44 177.02 1sx4 h MET 514 N -0.15 0.07 0.00 1.13 2.86 -1.03 -1.96 114.93 115.86 1sx4 h MET 514 Ca 0.16 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1sx4 h MET 514 Cb 0.40 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1sx4 h MET 514 CO -0.41 0.42 0.30 0.82 1.06 0.00 0.00 176.91 179.11 1sx4 h ILE 515 N -0.28 0.00 -0.20 -1.22 2.04 -0.69 -1.28 117.51 115.89 1sx4 h ILE 515 Ca 0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1sx4 h ILE 515 Cb 0.40 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1sx4 h ILE 515 CO 0.00 0.00 -0.07 0.35 0.00 0.00 0.00 178.15 178.43 1sx4 n THR 516 N -2.31 2.27 -3.43 -0.27 -2.24 -0.45 -4.78 114.28 103.06 1sx4 n THR 516 Ca -0.01 -2.36 -0.37 0.00 -2.27 0.00 0.00 64.05 59.03 1sx4 n THR 516 Cb 0.33 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.01 5.22 -0.10 4.28 2.01 -0.48 -4.95 115.64 118.62 1sx4 s THR 517 Ca 0.40 0.77 0.09 0.00 0.31 0.00 0.00 61.69 63.26 1sx4 s THR 517 Cb 0.35 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 69.01 1sx4 s THR 517 CO 0.03 0.38 0.23 -0.62 -0.69 0.00 0.00 174.62 173.95 1sx4 n GLU 518 N 3.42 1.17 -3.88 4.92 -0.58 -1.26 -4.70 120.64 119.73 1sx4 n GLU 518 Ca -0.10 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.48 1sx4 n GLU 518 Cb 0.52 -1.13 -0.09 0.00 -0.57 0.00 0.00 31.44 30.17 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sx4 s MET 520 N -2.42 0.19 -0.05 0.00 -1.94 -0.78 -4.99 119.30 109.32 1sx4 s MET 520 Ca -0.06 0.52 -0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1sx4 s MET 520 Cb -0.02 -0.52 -0.03 0.00 2.01 0.00 0.00 34.83 36.26 1sx4 s MET 520 CO -0.03 -0.47 0.00 0.08 -0.01 0.00 0.00 175.02 174.59 1sx4 s VAL 521 N 2.41 4.26 0.17 -6.03 1.01 -1.26 -1.74 120.40 119.21 1sx4 s VAL 521 Ca 0.05 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 1sx4 s VAL 521 Cb -0.14 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.47 1sx4 s VAL 521 CO -0.11 0.50 1.00 0.28 0.00 0.00 0.00 175.10 176.76 1sx4 s THR 522 N -0.98 0.00 0.52 3.92 -1.32 -1.15 -4.99 115.64 111.64 1sx4 s THR 522 Ca 0.16 -0.63 -0.10 0.00 -1.21 0.00 0.00 61.69 59.91 1sx4 s THR 522 Cb -0.11 -2.34 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1sx4 s THR 522 CO 0.06 0.00 0.90 -1.81 -2.21 0.00 0.00 174.62 171.56 1sx4 s ASP 523 N -3.11 6.35 0.31 8.08 1.01 -1.26 -1.07 116.67 126.97 1sx4 s ASP 523 Ca 0.16 1.23 -0.29 0.00 0.71 0.00 0.00 52.55 54.36 1sx4 s ASP 523 Cb -0.02 -2.38 -0.11 0.00 1.01 0.00 0.00 42.92 41.43 1sx4 s ASP 523 CO 0.03 -0.65 1.44 -0.76 0.21 0.00 0.00 175.17 175.44 1sx4 s LEU 524 N -4.65 4.37 0.00 1.23 1.43 -1.19 -4.57 118.68 115.31 1sx4 s LEU 524 Ca 0.52 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 1sx4 s LEU 524 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1sx4 s LEU 524 CO 0.44 -0.73 0.28 -0.81 0.23 0.00 0.00 176.35 175.76