#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 3.42 0.49 0.00 0.00 -1.26 -5.00 121.76 119.41 1sx4 s ALA 3 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1sx4 s ALA 3 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1sx4 s ALA 3 CO 0.00 -0.42 0.68 0.15 0.00 0.00 0.00 175.76 176.18 1sx4 s LYS 4 N 0.55 2.62 -0.16 0.00 -0.14 -1.26 -3.37 119.74 117.99 1sx4 s LYS 4 Ca 0.57 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 1sx4 s LYS 4 Cb -0.31 -2.64 0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1sx4 s LYS 4 CO 0.32 -0.54 -0.12 0.34 -0.76 0.00 0.00 175.35 174.59 1sx4 s ASP 5 N -4.43 2.83 -0.15 2.83 -1.08 -0.42 -4.80 116.67 111.45 1sx4 s ASP 5 Ca 0.57 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 52.00 1sx4 s ASP 5 Cb -0.09 -1.16 -0.02 0.00 -1.46 0.00 0.00 42.92 40.19 1sx4 s ASP 5 CO 0.36 -0.09 -0.09 -0.69 0.52 0.00 0.00 175.17 175.19 1sx4 s VAL 6 N 1.49 3.41 0.10 1.11 1.01 -1.26 -2.63 120.40 123.62 1sx4 s VAL 6 Ca 0.03 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1sx4 s VAL 6 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1sx4 s VAL 6 CO -0.10 0.50 -0.21 -0.75 0.00 0.00 0.00 175.10 174.54 1sx4 s LYS 7 N 0.43 1.19 0.09 2.72 2.20 -0.54 -4.99 119.74 120.85 1sx4 s LYS 7 Ca -0.07 -1.15 0.08 0.00 -0.36 0.00 0.00 55.97 54.47 1sx4 s LYS 7 Cb -0.15 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 1sx4 s LYS 7 CO 0.04 0.34 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.12 1sx4 s PHE 8 N -1.10 1.67 0.00 4.03 0.40 -1.26 -1.14 117.98 120.58 1sx4 s PHE 8 Ca 0.07 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1sx4 s PHE 8 Cb -0.10 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1sx4 s PHE 8 CO 0.04 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1sx4 n GLY 9 N 1.17 2.46 0.24 4.36 0.00 0.84 -1.61 105.19 112.65 1sx4 n GLY 9 Ca -0.20 0.36 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.46 -0.46 1.61 -1.24 -1.94 -1.94 115.58 111.15 1sx4 h ASN 10 Ca 0.00 -0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.05 1sx4 h ASN 10 Cb 0.00 0.12 -0.08 0.00 0.73 0.00 0.00 38.32 39.09 1sx4 h ASN 10 CO 0.00 -0.30 -0.48 0.44 -1.29 0.00 0.00 177.43 175.80 1sx4 h ASP 11 N -0.59 -1.65 -0.99 1.15 3.32 -1.70 0.26 116.42 116.23 1sx4 h ASP 11 Ca -0.06 0.22 0.12 0.00 0.02 0.00 0.00 57.03 57.34 1sx4 h ASP 11 Cb 0.44 0.69 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 1sx4 h ASP 11 CO 0.09 -0.31 -0.50 0.00 -1.72 0.00 0.00 179.24 176.80 1sx4 h ALA 12 N -0.12 -0.23 -0.18 3.45 0.00 -1.26 -1.94 119.26 118.98 1sx4 h ALA 12 Ca 0.08 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 12 Cb 0.47 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1sx4 h ALA 12 CO -0.57 -0.81 -0.43 0.00 0.00 0.00 0.00 179.25 177.44 1sx4 h ARG 13 N -0.01 0.43 0.20 0.00 3.08 -0.16 -0.52 114.38 117.41 1sx4 h ARG 13 Ca 0.24 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sx4 h ARG 13 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1sx4 h ARG 13 CO -0.96 0.78 -0.18 0.28 -1.07 0.00 0.00 179.97 178.83 1sx4 h VAL 14 N 0.36 0.60 -0.49 2.04 2.07 0.18 0.04 116.25 121.04 1sx4 h VAL 14 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1sx4 h VAL 14 Cb 0.90 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1sx4 h VAL 14 CO 0.08 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.61 1sx4 h LYS 15 N -0.40 -0.05 -0.93 1.57 1.79 -1.22 -1.15 116.57 116.19 1sx4 h LYS 15 Ca -0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.59 1sx4 h LYS 15 Cb 0.37 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.96 1sx4 h LYS 15 CO -0.04 -0.03 0.60 0.52 -1.08 0.00 0.00 179.45 179.42 1sx4 h MET 16 N -0.05 0.85 -0.06 3.15 2.86 -0.58 -2.16 114.93 118.94 1sx4 h MET 16 Ca 0.24 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1sx4 h MET 16 Cb 0.41 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sx4 h MET 16 CO -0.53 0.56 0.03 1.25 1.06 0.00 0.00 176.91 179.28 1sx4 h LEU 17 N 0.88 0.09 0.13 1.22 5.85 0.27 0.04 115.31 123.79 1sx4 h LEU 17 Ca 0.45 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1sx4 h LEU 17 Cb 0.51 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sx4 h LEU 17 CO -0.21 0.21 -0.06 0.03 -0.34 0.00 0.00 178.44 178.07 1sx4 h ARG 18 N -0.05 -0.17 0.00 1.25 3.08 -1.09 0.84 114.38 118.25 1sx4 h ARG 18 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sx4 h ARG 18 Cb 0.15 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1sx4 h ARG 18 CO -0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 1sx4 n GLY 19 N -0.23 -2.63 0.27 0.04 0.00 -0.86 -1.03 105.19 100.76 1sx4 n GLY 19 Ca -0.09 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.51 1sx4 n GLY 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1sx4 h VAL 20 N 0.00 0.56 -0.64 1.61 3.04 -0.55 -2.75 116.25 117.52 1sx4 h VAL 20 Ca 0.00 -0.11 0.11 0.00 -1.01 0.00 0.00 66.70 65.69 1sx4 h VAL 20 Cb 0.00 0.21 -0.08 0.00 -2.01 0.00 0.00 31.29 29.40 1sx4 h VAL 20 CO 0.00 0.06 0.21 0.78 -1.01 0.00 0.00 177.57 177.60 1sx4 h ASN 21 N 0.32 0.15 -0.20 3.17 -0.26 0.24 -1.04 115.58 117.96 1sx4 h ASN 21 Ca 0.42 0.10 0.02 0.00 -0.56 0.00 0.00 56.30 56.27 1sx4 h ASN 21 Cb 0.70 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1sx4 h ASN 21 CO -0.48 0.08 0.08 0.58 -1.06 0.00 0.00 177.43 176.63 1sx4 h VAL 22 N 0.36 0.97 -0.19 2.81 2.07 -0.86 2.38 116.25 123.78 1sx4 h VAL 22 Ca 0.34 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.81 1sx4 h VAL 22 Cb 0.48 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1sx4 h VAL 22 CO -0.37 0.03 -0.17 0.25 0.02 0.00 0.00 177.57 177.33 1sx4 h LEU 23 N 0.19 -0.59 -1.26 2.57 6.46 -1.37 -2.14 115.31 119.18 1sx4 h LEU 23 Ca 0.09 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 1sx4 h LEU 23 Cb 0.04 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1sx4 h LEU 23 CO -0.08 -0.10 0.54 0.00 -0.62 0.00 0.00 178.44 178.18 1sx4 h ALA 24 N -0.79 1.61 0.00 1.25 0.00 -0.48 -1.25 119.26 119.60 1sx4 h ALA 24 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 24 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sx4 h ALA 24 CO -0.22 0.27 -0.06 -0.44 0.00 0.00 0.00 179.25 178.80 1sx4 h ASP 25 N 0.90 0.00 0.85 0.00 3.32 0.44 -1.11 116.42 120.82 1sx4 h ASP 25 Ca 0.35 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.23 1sx4 h ASP 25 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1sx4 h ASP 25 CO -0.13 0.06 -1.24 0.00 -1.72 0.00 0.00 179.24 176.21 1sx4 h ALA 26 N 1.94 0.65 0.00 3.45 0.00 -1.17 -3.37 119.26 120.76 1sx4 h ALA 26 Ca -0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 54.91 53.80 1sx4 h ALA 26 Cb 0.87 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1sx4 h ALA 26 CO 0.01 0.96 -2.17 1.55 0.00 0.00 0.00 179.25 179.60 1sx4 n VAL 27 N -3.00 1.10 0.23 0.00 3.14 -0.49 -4.30 118.33 115.00 1sx4 n VAL 27 Ca -0.07 -0.77 0.11 0.00 -2.96 0.00 0.00 64.34 60.65 1sx4 n VAL 27 Cb 0.85 -0.43 0.43 0.00 -1.06 0.00 0.00 33.84 33.63 1sx4 n VAL 27 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1sx4 h LYS 28 N 0.00 0.00 0.00 1.45 2.10 -1.38 -3.07 116.57 115.67 1sx4 h LYS 28 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1sx4 h LYS 28 Cb 1.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 1sx4 h LYS 28 CO 0.03 0.16 0.00 1.33 -2.00 0.00 0.00 179.45 178.97 1sx4 n VAL 29 N -3.25 0.32 -0.79 0.07 0.24 -1.26 -2.53 118.33 111.12 1sx4 n VAL 29 Ca 0.01 0.08 0.08 0.00 -2.04 0.00 0.00 64.34 62.47 1sx4 n VAL 29 Cb 0.44 -0.74 0.33 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.25 2.21 -0.06 3.34 -2.24 -1.16 -0.53 114.28 114.60 1sx4 n THR 30 Ca 0.11 -1.47 -0.12 0.00 -2.27 0.00 0.00 64.05 60.30 1sx4 n THR 30 Cb 0.15 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 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 3.16 -0.00 0.00 3.22 5.85 -1.71 -3.42 115.31 122.41 1sx4 h LEU 31 Ca 0.00 -0.82 -0.13 0.00 0.84 0.00 0.00 57.88 57.78 1sx4 h LEU 31 Cb 1.56 0.00 0.08 0.00 0.37 0.00 0.00 40.66 42.67 1sx4 h LEU 31 CO 0.30 0.89 -0.06 0.61 -0.34 0.00 0.00 178.44 179.83 1sx4 n GLY 32 N 1.56 -1.58 0.00 3.75 0.00 -1.26 -4.79 105.19 102.87 1sx4 n GLY 32 Ca -0.08 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.58 0.16 -2.71 1.61 -0.04 -1.26 -3.97 135.00 128.21 1sx4 n PRO 33 Ca 0.05 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.48 1sx4 n PRO 33 Cb 0.21 -1.50 -0.00 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 -1.33 2.40 -1.49 0.54 5.02 -1.26 -5.02 118.16 117.02 1sx4 n LYS 34 Ca 0.06 -4.05 -0.29 0.00 -2.02 0.00 0.00 58.31 52.00 1sx4 n LYS 34 Cb 0.12 -1.88 0.12 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.26 1.60 0.56 0.72 0.00 -1.25 -3.91 107.32 101.78 1sx4 s GLY 35 Ca 0.41 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1sx4 s GLY 35 CO -0.10 0.18 0.77 0.50 0.00 0.00 0.00 173.10 174.45 1sx4 s ARG 36 N -5.16 2.36 0.12 2.90 1.81 0.31 -4.96 118.95 116.33 1sx4 s ARG 36 Ca 0.62 -1.25 -0.10 0.00 -1.72 0.00 0.00 55.73 53.29 1sx4 s ARG 36 Cb -0.15 -2.58 -0.06 0.00 -0.45 0.00 0.00 34.95 31.71 1sx4 s ARG 36 CO 0.54 -0.79 0.44 -0.80 -0.68 0.00 0.00 175.30 174.01 1sx4 s ASN 37 N -4.55 6.65 -0.06 0.23 0.01 -1.26 -4.51 114.94 111.45 1sx4 s ASN 37 Ca 0.60 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.62 1sx4 s ASN 37 Cb -0.08 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 1sx4 s ASN 37 CO 0.38 0.12 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.20 1sx4 s VAL 38 N -1.49 2.49 -0.20 1.60 1.01 0.01 -4.96 120.40 118.86 1sx4 s VAL 38 Ca 0.37 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1sx4 s VAL 38 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1sx4 s VAL 38 CO 0.19 0.57 0.10 -0.69 0.00 0.00 0.00 175.10 175.28 1sx4 s VAL 39 N -0.32 5.14 -0.28 2.92 1.01 -1.26 -2.06 120.40 125.54 1sx4 s VAL 39 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1sx4 s VAL 39 Cb -0.13 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 32.99 1sx4 s VAL 39 CO 0.02 0.44 -0.05 -0.76 0.00 0.00 0.00 175.10 174.75 1sx4 s LEU 40 N 0.45 3.71 0.60 3.92 1.02 0.21 -4.95 118.68 123.64 1sx4 s LEU 40 Ca 0.06 -1.61 -0.20 0.00 0.02 0.00 0.00 54.13 52.40 1sx4 s LEU 40 Cb -0.12 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 1sx4 s LEU 40 CO -0.00 -0.26 1.29 -0.62 0.02 0.00 0.00 176.35 176.78 1sx4 s ASP 41 N 1.09 4.98 -0.05 2.29 2.15 -1.26 -0.78 116.67 125.09 1sx4 s ASP 41 Ca -0.02 2.61 -0.02 0.00 0.43 0.00 0.00 52.55 55.55 1sx4 s ASP 41 Cb -0.19 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 39.84 1sx4 s ASP 41 CO -0.07 -1.75 0.10 -0.75 -0.17 0.00 0.00 175.17 172.53 1sx4 s LYS 42 N -3.19 -0.01 0.00 4.34 2.20 -1.26 -4.84 119.74 116.97 1sx4 s LYS 42 Ca 0.77 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1sx4 s LYS 42 Cb -0.37 -0.33 0.00 0.00 -1.51 0.00 0.00 37.83 35.62 1sx4 s LYS 42 CO 0.41 -0.26 0.39 0.43 -0.36 0.00 0.00 175.35 175.95 1sx4 n SER 43 N 4.91 0.00 -4.89 1.43 7.64 -1.26 -4.36 113.62 117.08 1sx4 n SER 43 Ca -0.12 0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.84 1sx4 n SER 43 Cb 0.50 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.53 3.46 0.00 1.43 0.40 -1.26 -4.96 117.98 115.52 1sx4 s PHE 44 Ca 0.00 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1sx4 s PHE 44 Cb 0.00 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.42 1sx4 s PHE 44 CO 0.00 0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.62 1sx4 n GLY 45 N -0.38 -1.92 3.86 4.36 0.00 -1.26 -4.97 105.19 104.88 1sx4 n GLY 45 Ca -0.01 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.02 3.39 1.20 4.61 0.00 -1.26 -4.81 121.76 123.87 1sx4 s ALA 46 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1sx4 s ALA 46 Cb 0.00 -2.68 0.29 0.00 0.00 0.00 0.00 23.12 20.73 1sx4 s ALA 46 CO 0.00 0.37 1.02 -1.25 0.00 0.00 0.00 175.76 175.90 1sx4 s PRO 47 N -2.97 -1.20 -0.19 0.00 0.04 -1.26 -4.74 135.00 124.68 1sx4 s PRO 47 Ca 0.52 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.12 1sx4 s PRO 47 Cb -0.10 -1.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 1sx4 s PRO 47 CO 0.19 -3.85 -0.02 0.99 0.04 0.00 0.00 177.00 174.35 1sx4 s THR 48 N -2.52 3.79 -0.19 1.26 2.01 0.04 -4.95 115.64 115.08 1sx4 s THR 48 Ca 0.68 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 1sx4 s THR 48 Cb -0.22 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1sx4 s THR 48 CO 0.62 0.45 0.10 -0.63 -0.69 0.00 0.00 174.62 174.47 1sx4 s ILE 49 N 0.91 5.14 0.04 1.82 1.01 -1.26 0.65 121.20 129.51 1sx4 s ILE 49 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 1sx4 s ILE 49 Cb -0.14 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 39.03 1sx4 s ILE 49 CO 0.02 0.45 0.44 0.28 0.00 0.00 0.00 174.94 176.13 1sx4 s THR 50 N 0.35 0.05 -0.10 2.92 -1.32 -0.88 -4.98 115.64 111.68 1sx4 s THR 50 Ca 0.06 -0.40 0.14 0.00 -1.21 0.00 0.00 61.69 60.28 1sx4 s THR 50 Cb -0.12 -0.95 0.22 0.00 -1.51 0.00 0.00 72.50 70.14 1sx4 s THR 50 CO -0.01 -0.22 1.11 0.29 -2.21 0.00 0.00 174.62 173.57 1sx4 n LYS 51 N 0.49 1.37 -3.69 7.08 5.02 -1.26 -0.81 118.16 126.36 1sx4 n LYS 51 Ca -0.18 -2.26 -0.38 0.00 -2.02 0.00 0.00 58.31 53.46 1sx4 n LYS 51 Cb 0.60 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.42 5.44 0.62 4.39 2.15 -1.26 -4.77 116.67 120.82 1sx4 s ASP 52 Ca 0.24 -1.91 0.30 0.00 0.43 0.00 0.00 52.55 51.62 1sx4 s ASP 52 Cb 0.21 -1.90 1.65 0.00 -0.30 0.00 0.00 42.92 42.58 1sx4 s ASP 52 CO 0.02 -0.59 1.92 1.23 -0.17 0.00 0.00 175.17 177.59 1sx4 h GLY 53 N 8.22 0.00 0.50 2.66 0.00 -1.84 -2.46 103.07 110.15 1sx4 h GLY 53 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1sx4 h GLY 53 CO 0.75 0.00 -0.30 -2.08 0.00 0.00 0.00 176.54 174.91 1sx4 h VAL 54 N 0.00 1.53 -0.30 4.60 2.07 -1.94 0.40 116.25 122.62 1sx4 h VAL 54 Ca 0.00 -1.97 0.05 0.00 0.82 0.00 0.00 66.70 65.60 1sx4 h VAL 54 Cb 0.52 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 1sx4 h VAL 54 CO 0.00 0.54 0.02 0.28 0.02 0.00 0.00 177.57 178.43 1sx4 h SER 55 N -0.45 -0.08 0.64 0.57 0.02 -1.90 -1.28 113.55 111.08 1sx4 h SER 55 Ca -0.04 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1sx4 h SER 55 Cb 1.05 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1sx4 h SER 55 CO 0.06 -0.01 -0.48 0.58 -1.14 0.00 0.00 176.83 175.84 1sx4 h VAL 56 N 0.11 0.00 -0.97 2.27 2.07 -1.43 -2.82 116.25 115.48 1sx4 h VAL 56 Ca 0.14 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.86 1sx4 h VAL 56 Cb 0.18 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.77 1sx4 h VAL 56 CO -0.23 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.14 1sx4 n ALA 57 N -2.74 0.25 -0.24 1.67 0.00 0.13 -1.58 120.51 117.99 1sx4 n ALA 57 Ca -0.13 1.06 0.12 0.00 0.00 0.00 0.00 53.44 54.49 1sx4 n ALA 57 Cb 0.47 -0.64 0.40 0.00 0.00 0.00 0.00 19.45 19.67 1sx4 n ALA 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sx4 h ARG 58 N 0.00 0.63 0.00 0.00 2.43 -0.97 0.48 114.38 116.96 1sx4 h ARG 58 Ca 0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1sx4 h ARG 58 Cb 0.73 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1sx4 h ARG 58 CO -0.99 0.42 -0.15 0.93 -1.51 0.00 0.00 179.97 178.67 1sx4 h GLU 59 N 0.65 0.00 -6.19 0.20 3.07 -1.24 -3.45 114.58 107.61 1sx4 h GLU 59 Ca 0.42 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.71 1sx4 h GLU 59 Cb 0.68 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1sx4 h GLU 59 CO -0.18 0.00 0.88 0.42 -1.40 0.00 0.00 179.01 178.74 1sx4 s ILE 60 N -3.20 4.19 -0.21 3.13 -1.09 0.17 -4.97 121.20 119.22 1sx4 s ILE 60 Ca 0.07 1.45 -0.09 0.00 -2.23 0.00 0.00 60.65 59.86 1sx4 s ILE 60 Cb 0.08 -3.94 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 1sx4 s ILE 60 CO 0.67 -0.10 0.46 -0.70 -1.23 0.00 0.00 174.94 174.04 1sx4 s GLU 61 N 3.29 0.40 0.34 2.79 2.12 -1.26 -4.90 118.70 121.48 1sx4 s GLU 61 Ca 0.57 1.04 0.07 0.00 0.36 0.00 0.00 54.97 57.00 1sx4 s GLU 61 Cb -0.24 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 1sx4 s GLU 61 CO 0.18 -0.21 0.47 -0.51 -0.54 0.00 0.00 175.26 174.64 1sx4 s LEU 62 N 2.26 3.90 -0.04 2.70 1.43 -1.26 -5.02 118.68 122.65 1sx4 s LEU 62 Ca -0.05 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 1sx4 s LEU 62 Cb -0.11 -2.69 -0.28 0.00 0.03 0.00 0.00 46.19 43.14 1sx4 s LEU 62 CO -0.14 -0.46 0.95 -0.08 0.23 0.00 0.00 176.35 176.85 1sx4 h GLU 63 N 0.90 0.29 -6.24 1.70 4.81 -2.00 -3.42 114.58 110.62 1sx4 h GLU 63 Ca -0.45 -0.42 -0.56 0.00 -0.13 0.00 0.00 59.36 57.80 1sx4 h GLU 63 Cb 1.26 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1sx4 h GLU 63 CO 0.52 1.16 1.06 0.34 -0.73 0.00 0.00 179.01 181.36 1sx4 s ASP 64 N -6.79 6.66 1.26 1.04 -1.08 -1.26 -4.93 116.67 111.57 1sx4 s ASP 64 Ca -0.14 2.00 -0.18 0.00 -0.52 0.00 0.00 52.55 53.72 1sx4 s ASP 64 Cb 0.01 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.25 1sx4 s ASP 64 CO 0.81 -0.96 1.01 -0.54 0.52 0.00 0.00 175.17 176.01 1sx4 s LYS 65 N 4.07 -1.66 1.25 4.34 1.02 -1.26 -0.17 119.74 127.33 1sx4 s LYS 65 Ca 0.69 0.36 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1sx4 s LYS 65 Cb -0.29 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1sx4 s LYS 65 CO 0.26 -4.09 0.00 1.19 -0.92 0.00 0.00 175.35 171.79 1sx4 n PHE 66 N -5.11 0.00 -0.33 3.18 3.72 -1.26 -3.85 117.46 113.81 1sx4 n PHE 66 Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 1sx4 n PHE 66 Cb 0.58 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.28 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 0.01 -0.52 -1.08 5.08 -1.64 0.62 114.58 117.05 1sx4 h GLU 67 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sx4 h GLU 67 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1sx4 h GLU 67 CO 0.00 0.00 0.28 -0.97 -1.00 0.00 0.00 179.01 177.33 1sx4 h ASN 68 N 0.01 0.66 -0.70 1.42 -1.24 -0.66 -2.79 115.58 112.27 1sx4 h ASN 68 Ca 0.48 -0.10 0.05 0.00 0.71 0.00 0.00 56.30 57.44 1sx4 h ASN 68 Cb 0.81 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.65 1sx4 h ASN 68 CO -0.95 0.56 0.46 0.24 -1.29 0.00 0.00 177.43 176.46 1sx4 h MET 69 N 0.70 0.77 -0.12 6.67 2.86 -1.21 0.37 114.93 124.97 1sx4 h MET 69 Ca 0.18 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1sx4 h MET 69 Cb 0.06 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.48 1sx4 h MET 69 CO -0.03 0.51 -0.36 0.78 1.06 0.00 0.00 176.91 178.87 1sx4 h GLY 70 N 0.79 -0.55 0.81 8.32 0.00 0.39 -1.58 103.07 111.25 1sx4 h GLY 70 Ca 0.29 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.98 1sx4 h GLY 70 CO -0.09 -0.23 -0.19 0.00 0.00 0.00 0.00 176.54 176.04 1sx4 h ALA 71 N 0.28 0.27 -0.72 3.60 0.00 -0.32 -2.10 119.26 120.27 1sx4 h ALA 71 Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1sx4 h ALA 71 Cb 0.58 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1sx4 h ALA 71 CO -0.36 0.20 0.48 1.96 0.00 0.00 0.00 179.25 181.52 1sx4 h GLN 72 N 0.12 0.82 -0.58 0.00 1.08 -0.30 -1.99 115.11 114.26 1sx4 h GLN 72 Ca 0.03 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1sx4 h GLN 72 Cb 0.73 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1sx4 h GLN 72 CO 0.05 0.54 0.29 0.52 -0.95 0.00 0.00 178.83 179.28 1sx4 h MET 73 N 0.84 0.83 -0.10 1.46 2.86 -0.62 0.87 114.93 121.08 1sx4 h MET 73 Ca 0.30 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1sx4 h MET 73 Cb 0.11 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1sx4 h MET 73 CO -0.09 0.67 -0.11 0.28 1.06 0.00 0.00 176.91 178.72 1sx4 h VAL 74 N 0.79 1.37 -0.90 -2.22 2.07 -0.97 -2.65 116.25 113.73 1sx4 h VAL 74 Ca 0.20 -1.29 0.25 0.00 0.82 0.00 0.00 66.70 66.67 1sx4 h VAL 74 Cb 0.10 2.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.73 1sx4 h VAL 74 CO -0.03 0.37 0.31 0.11 0.02 0.00 0.00 177.57 178.36 1sx4 h LYS 75 N -0.16 0.25 -0.56 1.57 1.57 -1.32 -0.78 116.57 117.13 1sx4 h LYS 75 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 75 Cb 0.64 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1sx4 h LYS 75 CO 0.03 0.17 0.25 1.49 -0.57 0.00 0.00 179.45 180.81 1sx4 h GLU 76 N 0.26 0.82 0.10 3.15 4.81 -0.46 -0.87 114.58 122.40 1sx4 h GLU 76 Ca 0.58 -0.14 -0.30 0.00 -0.13 0.00 0.00 59.36 59.37 1sx4 h GLU 76 Cb 1.19 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1sx4 h GLU 76 CO -0.63 0.70 -1.56 -0.24 -0.73 0.00 0.00 179.01 176.55 1sx4 h VAL 77 N 0.76 1.11 -0.18 0.32 3.04 -1.30 -2.62 116.25 117.38 1sx4 h VAL 77 Ca 0.19 -2.78 -0.10 0.00 -1.01 0.00 0.00 66.70 63.00 1sx4 h VAL 77 Cb 0.16 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1sx4 h VAL 77 CO -0.02 0.80 -0.33 0.00 -1.01 0.00 0.00 177.57 177.01 1sx4 h ALA 78 N 0.53 1.09 -0.59 3.17 0.00 -1.00 -1.37 119.26 121.08 1sx4 h ALA 78 Ca -0.25 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1sx4 h ALA 78 Cb 2.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1sx4 h ALA 78 CO 0.15 0.57 -0.03 1.03 0.00 0.00 0.00 179.25 180.97 1sx4 h SER 79 N 0.32 1.05 -0.57 0.00 0.87 -1.01 -2.51 113.55 111.70 1sx4 h SER 79 Ca 0.04 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1sx4 h SER 79 Cb 0.75 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1sx4 h SER 79 CO 0.06 1.12 0.38 0.11 -0.53 0.00 0.00 176.83 177.97 1sx4 h LYS 80 N 0.96 0.56 0.19 2.24 1.57 -1.01 0.32 116.57 121.40 1sx4 h LYS 80 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1sx4 h LYS 80 Cb 0.60 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1sx4 h LYS 80 CO 0.04 0.37 -0.39 0.00 -0.57 0.00 0.00 179.45 178.90 1sx4 h ALA 81 N 1.68 -0.73 -0.98 3.86 0.00 -0.85 0.16 119.26 122.41 1sx4 h ALA 81 Ca 0.24 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1sx4 h ALA 81 Cb 0.24 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1sx4 h ALA 81 CO -0.07 -0.97 0.61 -0.97 0.00 0.00 0.00 179.25 177.86 1sx4 h ASN 82 N -0.67 0.91 -0.67 0.00 -0.73 -1.15 -0.26 115.58 113.02 1sx4 h ASN 82 Ca 0.01 0.04 0.09 0.00 1.87 0.00 0.00 56.30 58.32 1sx4 h ASN 82 Cb 0.67 -0.14 -0.07 0.00 0.27 0.00 0.00 38.32 39.05 1sx4 h ASN 82 CO -0.18 0.50 0.30 0.44 -0.37 0.00 0.00 177.43 178.12 1sx4 h ASP 83 N 1.00 0.37 0.79 1.15 3.32 0.13 -1.46 116.42 121.71 1sx4 h ASP 83 Ca 0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1sx4 h ASP 83 Cb 0.43 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1sx4 h ASP 83 CO -0.25 0.21 -0.54 0.00 -1.72 0.00 0.00 179.24 176.94 1sx4 n ALA 84 N -2.43 3.04 0.00 3.45 0.00 0.39 -4.58 120.51 120.38 1sx4 n ALA 84 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1sx4 n ALA 84 Cb 0.27 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.72 1.70 0.00 0.00 0.00 -0.47 -4.99 120.51 115.04 1sx4 n ALA 85 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sx4 n ALA 85 Cb 0.40 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 2.23 1.01 0.00 0.00 0.00 -0.57 -4.69 105.19 103.16 1sx4 n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.89 116.55 111.94 1sx4 n ASP 87 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sx4 n ASP 87 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1sx4 n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sx4 n GLY 88 N -0.16 2.63 0.00 0.27 0.00 -1.26 -3.87 105.19 102.80 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 -1.12 0.00 -0.11 2.61 -1.04 -1.26 0.21 114.28 113.56 1sx4 n THR 89 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1sx4 n THR 89 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 1.28 -0.21 12.58 2.02 -1.90 -2.82 112.91 123.86 1sx4 h THR 90 Ca 0.00 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1sx4 h THR 90 Cb 0.00 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1sx4 h THR 90 CO 0.00 0.48 0.10 0.74 0.37 0.00 0.00 175.52 177.21 1sx4 h THR 91 N 0.62 1.14 -0.56 3.16 2.02 0.20 -1.03 112.91 118.45 1sx4 h THR 91 Ca 0.06 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1sx4 h THR 91 Cb 0.88 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 68.22 1sx4 h THR 91 CO 0.08 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.11 1sx4 h ALA 92 N 0.96 0.54 -0.23 6.16 0.00 0.20 -0.55 119.26 126.34 1sx4 h ALA 92 Ca 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sx4 h ALA 92 Cb 0.12 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sx4 h ALA 92 CO -0.01 -0.39 0.14 1.15 0.00 0.00 0.00 179.25 180.15 1sx4 h THR 93 N 0.12 1.08 -0.88 0.00 2.02 -1.20 0.17 112.91 114.22 1sx4 h THR 93 Ca 0.29 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1sx4 h THR 93 Cb 0.45 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1sx4 h THR 93 CO -0.47 0.08 0.58 0.58 0.37 0.00 0.00 175.52 176.65 1sx4 h VAL 94 N 0.29 1.13 -0.09 3.16 2.07 -0.13 -0.46 116.25 122.22 1sx4 h VAL 94 Ca 0.08 -0.37 -0.22 0.00 0.82 0.00 0.00 66.70 67.02 1sx4 h VAL 94 Cb 0.00 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1sx4 h VAL 94 CO -0.02 0.20 -0.81 -0.07 0.02 0.00 0.00 177.57 176.89 1sx4 h LEU 95 N 1.08 0.74 -0.56 2.57 3.38 -0.73 -2.57 115.31 119.23 1sx4 h LEU 95 Ca 0.36 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1sx4 h LEU 95 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1sx4 h LEU 95 CO -0.11 1.29 0.37 0.00 0.09 0.00 0.00 178.44 180.08 1sx4 h ALA 96 N 0.69 0.70 -0.12 1.53 0.00 -0.26 -1.06 119.26 120.74 1sx4 h ALA 96 Ca -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 96 Cb 1.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1sx4 h ALA 96 CO 0.15 0.14 -0.05 0.37 0.00 0.00 0.00 179.25 179.86 1sx4 h GLN 97 N 0.75 -0.04 -0.85 0.00 4.15 -1.05 -1.46 115.11 116.61 1sx4 h GLN 97 Ca 0.20 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.74 1sx4 h GLN 97 Cb -0.08 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.53 1sx4 h GLN 97 CO -0.05 -0.02 0.47 0.00 -1.93 0.00 0.00 178.83 177.31 1sx4 h ALA 98 N 1.08 1.25 0.10 3.38 0.00 -0.84 0.46 119.26 124.68 1sx4 h ALA 98 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 98 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sx4 h ALA 98 CO -0.14 0.04 -0.05 0.82 0.00 0.00 0.00 179.25 179.92 1sx4 h ILE 99 N 0.75 0.82 -0.58 0.00 2.04 -1.12 -3.16 117.51 116.25 1sx4 h ILE 99 Ca 0.43 -1.34 0.10 0.00 1.00 0.00 0.00 64.86 65.05 1sx4 h ILE 99 Cb 0.48 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 1sx4 h ILE 99 CO -0.29 0.24 0.17 0.40 0.00 0.00 0.00 178.15 178.67 1sx4 h ILE 100 N -0.94 0.72 -0.15 -0.67 2.04 -0.85 0.21 117.51 117.87 1sx4 h ILE 100 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1sx4 h ILE 100 Cb 0.51 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1sx4 h ILE 100 CO 0.02 0.06 -0.24 0.74 0.00 0.00 0.00 178.15 178.73 1sx4 h THR 101 N 0.32 0.41 0.17 -0.27 2.02 -0.19 -1.15 112.91 114.22 1sx4 h THR 101 Ca 0.30 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.21 1sx4 h THR 101 Cb 0.40 0.41 0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1sx4 h THR 101 CO -0.34 0.00 -1.16 -0.33 0.37 0.00 0.00 175.52 174.06 1sx4 h GLU 102 N -0.30 0.48 -0.14 6.66 4.39 -1.28 -2.09 114.58 122.30 1sx4 h GLU 102 Ca 0.11 -0.75 -0.04 0.00 0.34 0.00 0.00 59.36 59.02 1sx4 h GLU 102 Cb 0.46 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1sx4 h GLU 102 CO -0.32 1.35 -0.08 0.78 -1.16 0.00 0.00 179.01 179.57 1sx4 h GLY 103 N 0.00 0.23 1.52 -3.84 0.00 -0.61 -2.08 103.07 98.30 1sx4 h GLY 103 Ca -0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1sx4 h GLY 103 CO 0.22 0.12 -1.00 -2.00 0.00 0.00 0.00 176.54 173.88 1sx4 h LEU 104 N 0.21 0.00 -0.32 3.11 5.85 -1.18 -2.36 115.31 120.62 1sx4 h LEU 104 Ca 0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1sx4 h LEU 104 Cb 0.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1sx4 h LEU 104 CO 0.01 0.61 -0.36 0.11 -0.34 0.00 0.00 178.44 178.48 1sx4 h LYS 105 N 0.00 0.81 -0.42 1.25 1.57 -1.10 -3.01 116.57 115.67 1sx4 h LYS 105 Ca -0.09 -0.44 0.06 0.00 -1.87 0.00 0.00 60.65 58.31 1sx4 h LYS 105 Cb 1.54 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 1sx4 h LYS 105 CO 0.06 1.07 0.12 0.00 -0.57 0.00 0.00 179.45 180.14 1sx4 h ALA 106 N 0.72 0.49 -0.50 3.86 0.00 -1.17 -1.36 119.26 121.30 1sx4 h ALA 106 Ca 0.05 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1sx4 h ALA 106 Cb 0.94 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1sx4 h ALA 106 CO 0.09 -0.28 0.06 -0.39 0.00 0.00 0.00 179.25 178.73 1sx4 h VAL 107 N 0.27 1.23 0.00 0.00 -1.51 -1.47 0.12 116.25 114.89 1sx4 h VAL 107 Ca 0.20 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1sx4 h VAL 107 Cb 0.22 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1sx4 h VAL 107 CO -0.23 0.32 0.00 0.00 -1.23 0.00 0.00 177.57 176.43 1sx4 n ALA 108 N -2.47 1.99 0.61 5.19 0.00 -0.89 -1.27 120.51 123.67 1sx4 n ALA 108 Ca 0.03 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1sx4 n ALA 108 Cb 0.26 -1.43 0.26 0.00 0.00 0.00 0.00 19.45 18.54 1sx4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 109 N -1.77 2.71 0.00 0.00 0.00 0.37 -4.93 120.51 116.89 1sx4 n ALA 109 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1sx4 n ALA 109 Cb 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1sx4 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 110 N 1.33 1.86 3.98 0.00 0.00 -0.40 -5.10 105.19 106.86 1sx4 n GLY 110 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.80 2.54 -0.47 1.61 -1.94 -1.08 -5.05 119.30 114.11 1sx4 s MET 111 Ca 0.00 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 1sx4 s MET 111 Cb 0.00 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.37 1sx4 s MET 111 CO 0.00 -0.70 1.11 1.21 -0.01 0.00 0.00 175.02 176.63 1sx4 s ASN 112 N -4.43 6.63 0.32 3.03 3.84 -1.26 -4.53 114.94 118.54 1sx4 s ASN 112 Ca 0.57 0.46 0.10 0.00 0.21 0.00 0.00 52.86 54.20 1sx4 s ASN 112 Cb -0.10 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 39.00 1sx4 s ASN 112 CO 0.38 -1.21 1.69 -0.65 -2.79 0.00 0.00 177.10 174.52 1sx4 h PRO 113 N 9.15 0.42 -0.05 0.43 0.11 -1.93 -1.78 132.00 138.35 1sx4 h PRO 113 Ca -0.23 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.65 1sx4 h PRO 113 Cb 1.06 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1sx4 h PRO 113 CO 1.11 0.28 -0.82 1.98 -0.21 0.00 0.00 178.00 180.34 1sx4 h MET 114 N 0.43 0.40 -0.27 1.05 4.05 -1.92 -1.56 114.93 117.11 1sx4 h MET 114 Ca 0.67 -0.37 -0.15 0.00 -0.28 0.00 0.00 59.70 59.56 1sx4 h MET 114 Cb 1.38 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.27 1sx4 h MET 114 CO -0.55 1.03 -0.46 -0.44 0.23 0.00 0.00 176.91 176.72 1sx4 h ASP 115 N 0.25 0.75 -0.55 1.39 3.32 -1.83 -2.07 116.42 117.69 1sx4 h ASP 115 Ca -0.05 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 1sx4 h ASP 115 Cb 1.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1sx4 h ASP 115 CO 0.14 1.10 0.03 -0.07 -1.72 0.00 0.00 179.24 178.72 1sx4 h LEU 116 N 0.56 0.92 -0.13 1.55 3.38 -0.90 -0.28 115.31 120.40 1sx4 h LEU 116 Ca 0.03 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1sx4 h LEU 116 Cb 1.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1sx4 h LEU 116 CO 0.10 0.98 -0.01 0.50 0.09 0.00 0.00 178.44 180.09 1sx4 h LYS 117 N 0.83 0.02 -0.33 1.13 3.64 -1.30 -2.53 116.57 118.03 1sx4 h LYS 117 Ca 0.16 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1sx4 h LYS 117 Cb 0.49 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1sx4 h LYS 117 CO 0.02 0.02 -0.50 -0.09 -2.27 0.00 0.00 179.45 176.63 1sx4 h ARG 118 N 0.02 -0.37 -0.40 1.90 2.43 -0.40 0.15 114.38 117.71 1sx4 h ARG 118 Ca 0.06 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1sx4 h ARG 118 Cb 0.08 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 1sx4 h ARG 118 CO -0.11 -0.25 -0.55 0.78 -1.51 0.00 0.00 179.97 178.34 1sx4 h GLY 119 N -0.38 -1.04 -0.63 2.80 0.00 -1.11 0.11 103.07 102.82 1sx4 h GLY 119 Ca 0.06 0.72 0.09 0.00 0.00 0.00 0.00 47.33 48.20 1sx4 h GLY 119 CO -0.51 -0.13 -0.48 -2.22 0.00 0.00 0.00 176.54 173.20 1sx4 h ILE 120 N -0.39 0.05 -0.73 2.60 2.04 -1.16 -1.36 117.51 118.57 1sx4 h ILE 120 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1sx4 h ILE 120 Cb 0.58 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1sx4 h ILE 120 CO -0.58 0.00 0.48 0.44 0.00 0.00 0.00 178.15 178.48 1sx4 h ASP 121 N -0.19 0.67 0.71 1.72 3.32 0.71 -0.34 116.42 123.01 1sx4 h ASP 121 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1sx4 h ASP 121 Cb 0.55 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1sx4 h ASP 121 CO -0.75 0.43 -0.34 0.50 -1.72 0.00 0.00 179.24 177.36 1sx4 h LYS 122 N 0.76 -0.92 -1.06 3.56 3.64 -0.45 -0.16 116.57 121.94 1sx4 h LYS 122 Ca 0.31 0.06 0.30 0.00 -1.27 0.00 0.00 60.65 60.06 1sx4 h LYS 122 Cb 0.25 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.16 1sx4 h LYS 122 CO -0.10 -0.58 0.65 0.00 -2.27 0.00 0.00 179.45 177.14 1sx4 h ALA 123 N -0.95 2.12 0.20 5.00 0.00 -0.43 0.24 119.26 125.43 1sx4 h ALA 123 Ca -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 123 Cb 0.76 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sx4 h ALA 123 CO 0.16 -0.63 -0.10 0.28 0.00 0.00 0.00 179.25 178.96 1sx4 h VAL 124 N 0.38 0.85 -0.85 0.00 2.07 -0.95 -2.15 116.25 115.59 1sx4 h VAL 124 Ca 0.68 -0.93 0.17 0.00 0.82 0.00 0.00 66.70 67.44 1sx4 h VAL 124 Cb 1.64 1.34 -0.16 0.00 -1.52 0.00 0.00 31.29 32.59 1sx4 h VAL 124 CO -0.45 0.19 -0.23 0.74 0.02 0.00 0.00 177.57 177.84 1sx4 h THR 125 N -0.78 0.14 -0.33 2.57 2.02 0.10 0.44 112.91 117.07 1sx4 h THR 125 Ca -0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1sx4 h THR 125 Cb 0.51 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1sx4 h THR 125 CO 0.04 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.78 1sx4 h ALA 126 N 1.80 0.47 -0.13 6.16 0.00 -0.68 -2.55 119.26 124.32 1sx4 h ALA 126 Ca 0.40 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1sx4 h ALA 126 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 126 CO -0.87 0.38 -0.59 0.00 0.00 0.00 0.00 179.25 178.17 1sx4 h ALA 127 N 0.78 0.74 -0.19 0.00 0.00 -0.62 -2.03 119.26 117.93 1sx4 h ALA 127 Ca 0.07 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1sx4 h ALA 127 Cb 0.69 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1sx4 h ALA 127 CO 0.05 0.71 -0.04 0.28 0.00 0.00 0.00 179.25 180.24 1sx4 h VAL 128 N 0.32 0.82 -0.52 0.00 2.07 0.03 0.14 116.25 119.11 1sx4 h VAL 128 Ca -0.00 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1sx4 h VAL 128 Cb 1.12 0.81 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 1sx4 h VAL 128 CO 0.10 0.00 -0.30 -0.08 0.02 0.00 0.00 177.57 177.31 1sx4 h GLU 129 N 0.00 -0.16 -0.79 1.57 4.57 -1.38 -1.97 114.58 116.42 1sx4 h GLU 129 Ca 0.09 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1sx4 h GLU 129 Cb 0.13 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 1sx4 h GLU 129 CO -0.19 -0.11 0.47 0.93 -1.18 0.00 0.00 179.01 178.93 1sx4 h GLU 130 N -0.17 0.83 -0.81 1.92 4.39 -0.25 0.50 114.58 120.98 1sx4 h GLU 130 Ca 0.22 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.96 1sx4 h GLU 130 Cb 0.53 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1sx4 h GLU 130 CO -0.62 0.55 0.47 -0.07 -1.16 0.00 0.00 179.01 178.18 1sx4 h LEU 131 N 0.85 0.69 -1.90 1.33 4.07 -0.42 0.25 115.31 120.17 1sx4 h LEU 131 Ca 0.36 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.35 1sx4 h LEU 131 Cb 0.21 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1sx4 h LEU 131 CO -0.19 0.41 -0.06 0.11 -1.08 0.00 0.00 178.44 177.63 1sx4 h LYS 132 N 0.81 0.00 0.10 1.13 1.57 0.74 -0.51 116.57 120.41 1sx4 h LYS 132 Ca 0.38 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.87 1sx4 h LYS 132 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.65 1sx4 h LYS 132 CO -0.23 0.06 -1.21 0.00 -0.57 0.00 0.00 179.45 177.50 1sx4 h ALA 133 N 1.94 0.04 0.00 3.86 0.00 -0.54 -3.23 119.26 121.34 1sx4 h ALA 133 Ca -0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1sx4 h ALA 133 Cb 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sx4 h ALA 133 CO 0.01 0.72 -0.37 1.25 0.00 0.00 0.00 179.25 180.86 1sx4 h LEU 134 N 0.27 0.00 -9.89 0.00 5.85 -0.50 -3.46 115.31 107.58 1sx4 h LEU 134 Ca -0.17 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.00 1sx4 h LEU 134 Cb 1.88 0.00 0.10 0.00 0.37 0.00 0.00 40.66 43.01 1sx4 h LEU 134 CO 0.23 0.37 0.77 -0.24 -0.34 0.00 0.00 178.44 179.22 1sx4 n SER 135 N -3.57 3.69 -4.43 1.25 2.88 -0.25 -4.91 113.62 108.29 1sx4 n SER 135 Ca -0.00 1.21 -0.33 0.00 -1.33 0.00 0.00 58.87 58.41 1sx4 n SER 135 Cb 0.49 -1.60 -0.13 0.00 -0.75 0.00 0.00 64.21 62.22 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 -0.88 3.49 0.87 2.46 1.01 -0.80 -4.93 120.40 121.60 1sx4 s VAL 136 Ca 0.56 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1sx4 s VAL 136 Cb -0.49 -2.50 0.11 0.00 0.00 0.00 0.00 36.38 33.50 1sx4 s VAL 136 CO 0.61 0.50 1.12 -2.84 0.00 0.00 0.00 175.10 174.48 1sx4 s PRO 137 N 0.42 1.46 -0.22 2.72 0.02 -1.26 -1.17 135.00 136.97 1sx4 s PRO 137 Ca -0.07 1.32 -0.04 0.00 0.02 0.00 0.00 61.00 62.23 1sx4 s PRO 137 Cb -0.15 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1sx4 s PRO 137 CO 0.04 -2.25 0.09 0.00 -0.33 0.00 0.00 177.00 174.55 1sx4 n SER 139 N 5.17 0.95 -4.82 0.00 2.88 -1.26 -4.28 113.62 112.26 1sx4 n SER 139 Ca -0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 1sx4 n SER 139 Cb 0.46 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.98 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 -4.44 5.18 0.31 -3.46 1.47 -1.26 -4.81 116.67 109.65 1sx4 s ASP 140 Ca 0.00 1.47 0.07 0.00 1.18 0.00 0.00 52.55 55.27 1sx4 s ASP 140 Cb 0.00 -2.31 0.79 0.00 -0.34 0.00 0.00 42.92 41.06 1sx4 s ASP 140 CO 0.00 -1.55 1.76 0.28 0.68 0.00 0.00 175.17 176.33 1sx4 h SER 141 N -0.80 0.73 0.18 2.11 0.02 -1.99 -0.89 113.55 112.91 1sx4 h SER 141 Ca -0.45 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1sx4 h SER 141 Cb 1.23 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1sx4 h SER 141 CO 0.59 0.21 -0.35 0.50 -1.14 0.00 0.00 176.83 176.63 1sx4 h LYS 142 N 0.69 -0.60 -0.30 3.45 3.64 -1.98 -2.22 116.57 119.24 1sx4 h LYS 142 Ca 0.60 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.97 1sx4 h LYS 142 Cb 1.01 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1sx4 h LYS 142 CO -0.42 -0.40 -0.05 0.00 -2.27 0.00 0.00 179.45 176.31 1sx4 h ALA 143 N -0.07 1.36 0.77 5.00 0.00 -1.57 -0.14 119.26 124.61 1sx4 h ALA 143 Ca 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1sx4 h ALA 143 Cb 0.63 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 143 CO -0.17 0.44 -0.37 0.82 0.00 0.00 0.00 179.25 179.97 1sx4 h ILE 144 N 0.45 0.25 -0.42 0.00 1.08 -1.17 -0.87 117.51 116.84 1sx4 h ILE 144 Ca 0.09 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1sx4 h ILE 144 Cb 0.37 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1sx4 h ILE 144 CO 0.02 0.00 -0.00 0.00 -0.69 0.00 0.00 178.15 177.47 1sx4 h ALA 145 N -0.78 1.21 -0.42 1.87 0.00 -0.96 -1.19 119.26 118.99 1sx4 h ALA 145 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sx4 h ALA 145 Cb 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sx4 h ALA 145 CO 0.17 0.52 0.00 0.94 0.00 0.00 0.00 179.25 180.88 1sx4 n GLN 146 N -4.24 0.00 -0.08 0.00 -0.06 -0.10 -0.04 117.38 112.85 1sx4 n GLN 146 Ca 0.02 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.83 1sx4 n GLN 146 Cb 0.28 -1.43 0.29 0.00 -4.06 0.00 0.00 30.24 25.32 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 1.18 0.35 1.69 -1.51 -0.61 -1.46 116.25 115.89 1sx4 h VAL 147 Ca 0.00 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1sx4 h VAL 147 Cb 0.00 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1sx4 h VAL 147 CO 0.00 0.22 -0.34 1.23 -1.23 0.00 0.00 177.57 177.44 1sx4 h GLY 148 N 0.84 -0.80 0.84 5.19 0.00 -1.13 0.27 103.07 108.28 1sx4 h GLY 148 Ca 0.18 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1sx4 h GLY 148 CO -0.02 -0.29 0.35 -0.91 0.00 0.00 0.00 176.54 175.67 1sx4 h THR 149 N -0.72 1.05 -0.62 4.70 1.35 0.15 0.16 112.91 118.98 1sx4 h THR 149 Ca -0.02 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.58 1sx4 h THR 149 Cb 0.65 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 1sx4 h THR 149 CO -0.06 0.13 0.31 0.40 -0.25 0.00 0.00 175.52 176.05 1sx4 h ILE 150 N 0.69 1.21 0.00 6.82 2.04 -1.07 -1.75 117.51 125.45 1sx4 h ILE 150 Ca 0.24 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1sx4 h ILE 150 Cb 0.05 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1sx4 h ILE 150 CO -0.11 0.24 -0.05 -1.28 0.00 0.00 0.00 178.15 176.96 1sx4 h SER 151 N 0.85 0.00 -0.48 1.72 0.87 0.42 -1.28 113.55 115.65 1sx4 h SER 151 Ca 0.21 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1sx4 h SER 151 Cb 0.11 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1sx4 h SER 151 CO -0.03 0.05 0.08 0.00 -0.53 0.00 0.00 176.83 176.40 1sx4 n ALA 152 N -2.13 3.82 -2.21 6.23 0.00 0.48 -4.48 120.51 122.22 1sx4 n ALA 152 Ca -0.00 -2.36 -0.01 0.00 0.00 0.00 0.00 53.44 51.07 1sx4 n ALA 152 Cb 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.28 -4.51 -0.14 0.00 4.05 -0.48 -3.80 115.26 110.11 1sx4 n ASN 153 Ca 0.30 -0.08 -0.02 0.00 0.45 0.00 0.00 54.58 55.24 1sx4 n ASN 153 Cb 1.13 -2.87 -0.01 0.00 1.23 0.00 0.00 39.78 39.26 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 -1.49 -4.81 -4.46 1.20 7.64 -0.71 -4.90 113.62 106.07 1sx4 n SER 154 Ca -0.01 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1sx4 n SER 154 Cb 0.51 -3.03 -0.04 0.00 -1.01 0.00 0.00 64.21 60.64 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 -1.69 6.21 0.49 6.43 -1.08 -1.23 -4.93 116.67 120.87 1sx4 s ASP 155 Ca 0.00 -0.87 0.23 0.00 -0.52 0.00 0.00 52.55 51.38 1sx4 s ASP 155 Cb 0.00 -2.40 1.25 0.00 -1.46 0.00 0.00 42.92 40.30 1sx4 s ASP 155 CO 0.00 -1.33 2.02 -0.33 0.52 0.00 0.00 175.17 176.05 1sx4 h GLU 156 N 9.44 0.00 -0.14 4.34 5.08 -1.90 -2.69 114.58 128.70 1sx4 h GLU 156 Ca -0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1sx4 h GLU 156 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sx4 h GLU 156 CO 1.14 0.17 -0.30 1.79 -1.00 0.00 0.00 179.01 180.80 1sx4 h THR 157 N 0.00 1.26 -0.29 1.13 1.35 -1.98 -2.35 112.91 112.03 1sx4 h THR 157 Ca -0.00 -1.27 -0.10 0.00 -0.55 0.00 0.00 66.41 64.49 1sx4 h THR 157 Cb 0.38 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1sx4 h THR 157 CO 0.02 0.38 -0.20 0.58 -0.25 0.00 0.00 175.52 176.06 1sx4 h VAL 158 N 0.24 1.30 -0.35 6.82 2.07 -1.85 -2.06 116.25 122.42 1sx4 h VAL 158 Ca 0.03 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.29 1sx4 h VAL 158 Cb 0.66 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1sx4 h VAL 158 CO 0.05 0.43 -0.12 1.23 0.02 0.00 0.00 177.57 179.18 1sx4 h GLY 159 N 0.39 0.20 0.34 2.17 0.00 -1.51 -2.45 103.07 102.20 1sx4 h GLY 159 Ca 0.06 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1sx4 h GLY 159 CO 0.05 -0.15 -0.41 1.70 0.00 0.00 0.00 176.54 177.73 1sx4 h LYS 160 N -0.04 -0.65 -0.91 4.80 3.64 -1.31 -1.51 116.57 120.59 1sx4 h LYS 160 Ca 0.17 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1sx4 h LYS 160 Cb 0.31 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1sx4 h LYS 160 CO -0.39 -0.43 0.60 -0.07 -2.27 0.00 0.00 179.45 176.89 1sx4 h LEU 161 N -0.67 0.99 0.40 5.20 4.07 -1.00 0.49 115.31 124.79 1sx4 h LEU 161 Ca 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1sx4 h LEU 161 Cb 0.68 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1sx4 h LEU 161 CO -0.21 0.68 -0.19 0.40 -1.08 0.00 0.00 178.44 178.04 1sx4 h ILE 162 N 1.15 0.53 -0.92 1.22 2.04 -1.41 -1.15 117.51 118.97 1sx4 h ILE 162 Ca 0.36 -0.51 0.27 0.00 1.00 0.00 0.00 64.86 65.98 1sx4 h ILE 162 Cb 0.01 0.75 -0.15 0.00 -0.74 0.00 0.00 36.82 36.70 1sx4 h ILE 162 CO -0.11 0.08 0.32 0.00 0.00 0.00 0.00 178.15 178.45 1sx4 h ALA 163 N -0.44 1.48 -0.41 1.87 0.00 -0.19 -0.52 119.26 121.06 1sx4 h ALA 163 Ca -0.05 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 163 Cb 0.55 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sx4 h ALA 163 CO 0.09 -0.52 -0.13 0.93 0.00 0.00 0.00 179.25 179.63 1sx4 h GLU 164 N 0.22 0.82 0.80 0.00 5.08 0.09 -2.16 114.58 119.42 1sx4 h GLU 164 Ca 0.61 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1sx4 h GLU 164 Cb 1.31 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1sx4 h GLU 164 CO -0.66 0.95 -0.38 0.00 -1.00 0.00 0.00 179.01 177.91 1sx4 h ALA 165 N 0.84 -1.16 -0.97 3.43 0.00 0.17 -2.25 119.26 119.32 1sx4 h ALA 165 Ca 0.10 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 165 Cb 0.66 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1sx4 h ALA 165 CO 0.05 -1.08 0.50 0.52 0.00 0.00 0.00 179.25 179.23 1sx4 h MET 166 N -1.18 0.33 -0.12 0.00 2.86 -1.40 0.91 114.93 116.34 1sx4 h MET 166 Ca -0.11 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1sx4 h MET 166 Cb 0.82 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1sx4 h MET 166 CO 0.18 0.22 0.14 0.22 1.06 0.00 0.00 176.91 178.73 1sx4 h ASP 167 N 0.34 0.00 0.00 1.22 3.58 -1.16 0.29 116.42 120.70 1sx4 h ASP 167 Ca 0.68 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.69 1sx4 h ASP 167 Cb 1.46 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.44 1sx4 h ASP 167 CO -0.59 0.00 -2.51 0.29 -2.88 0.00 0.00 179.24 173.55 1sx4 n LYS 168 N -3.78 0.61 0.00 0.28 5.02 0.31 -4.68 118.16 115.91 1sx4 n LYS 168 Ca -0.00 0.21 0.07 0.00 -2.02 0.00 0.00 58.31 56.57 1sx4 n LYS 168 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.83 0.00 0.00 -0.18 3.14 -0.65 -5.11 118.33 111.70 1sx4 n VAL 169 Ca -0.51 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.50 1sx4 n VAL 169 Cb 0.93 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.87 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 1.01 1.73 0.09 7.55 0.00 0.10 -2.92 105.19 112.74 1sx4 n GLY 170 Ca 0.06 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 1.38 0.13 -0.06 1.61 5.02 -1.25 -3.05 118.16 121.93 1sx4 n LYS 171 Ca 0.00 0.38 -0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1sx4 n LYS 171 Cb 0.00 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.24 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 -3.50 114.58 114.20 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 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 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 1.68 0.00 3.65 -3.84 0.00 -1.15 -4.74 105.19 100.79 1sx4 n GLY 173 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 3.87 -0.20 1.61 1.01 -1.26 -4.85 120.40 120.57 1sx4 s VAL 174 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1sx4 s VAL 174 Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1sx4 s VAL 174 CO 0.00 -0.16 -0.15 -0.63 0.00 0.00 0.00 175.10 174.16 1sx4 s ILE 175 N 4.13 2.39 0.40 2.22 1.01 -1.26 -0.12 121.20 129.96 1sx4 s ILE 175 Ca 0.66 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1sx4 s ILE 175 Cb -0.27 -2.09 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1sx4 s ILE 175 CO 0.24 0.42 0.02 0.42 0.00 0.00 0.00 174.94 176.04 1sx4 s THR 176 N 1.31 2.10 -0.07 2.92 -4.23 -0.35 -4.98 115.64 112.34 1sx4 s THR 176 Ca 0.03 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1sx4 s THR 176 Cb -0.14 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1sx4 s THR 176 CO -0.10 -0.03 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.07 1sx4 s VAL 177 N -2.67 1.65 0.29 2.29 1.01 -1.26 0.00 120.40 121.70 1sx4 s VAL 177 Ca 0.36 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1sx4 s VAL 177 Cb 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1sx4 s VAL 177 CO 0.18 0.47 -0.14 -1.61 0.00 0.00 0.00 175.10 174.00 1sx4 s GLU 178 N 0.33 1.65 0.29 2.72 2.02 -0.11 -4.94 118.70 120.66 1sx4 s GLU 178 Ca -0.13 -1.79 -0.29 0.00 0.02 0.00 0.00 54.97 52.77 1sx4 s GLU 178 Cb -0.16 -1.56 -0.11 0.00 0.10 0.00 0.00 34.13 32.40 1sx4 s GLU 178 CO 0.05 0.21 1.47 -0.51 0.02 0.00 0.00 175.26 176.51 1sx4 s ASP 179 N -3.50 6.54 0.33 -0.19 1.11 -1.26 -2.20 116.67 117.50 1sx4 s ASP 179 Ca 0.29 2.81 -0.12 0.00 0.18 0.00 0.00 52.55 55.72 1sx4 s ASP 179 Cb -0.01 -2.64 -0.08 0.00 1.07 0.00 0.00 42.92 41.26 1sx4 s ASP 179 CO 0.14 -0.77 0.70 -0.83 1.18 0.00 0.00 175.17 175.59 1sx4 s GLY 180 N 0.20 2.20 -0.02 0.21 0.00 -0.58 -4.64 107.32 104.70 1sx4 s GLY 180 Ca 0.58 -0.11 0.15 0.00 0.00 0.00 0.00 44.72 45.34 1sx4 s GLY 180 CO 0.49 0.07 0.39 -1.30 0.00 0.00 0.00 173.10 172.75 1sx4 n THR 181 N -0.60 0.00 -1.81 0.90 -2.24 -1.26 -4.85 114.28 104.42 1sx4 n THR 181 Ca 0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1sx4 n THR 181 Cb 0.53 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.59 4.34 0.01 3.38 0.00 -1.26 -5.02 105.19 108.23 1sx4 n GLY 182 Ca -0.01 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 0.64 -4.77 0.99 7.94 -1.26 -3.56 117.00 116.97 1sx4 n LEU 183 Ca 0.00 -0.20 -0.39 0.00 -1.11 0.00 0.00 56.01 54.31 1sx4 n LEU 183 Cb 0.00 -0.05 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 1sx4 n LEU 183 CO 0.00 0.12 0.31 -1.10 -1.11 0.00 0.00 177.39 175.61 1sx4 s GLN 184 N -3.17 4.31 0.47 1.96 -1.52 -1.26 -3.64 119.66 116.81 1sx4 s GLN 184 Ca 0.04 0.77 -0.23 0.00 -1.95 0.00 0.00 55.36 53.99 1sx4 s GLN 184 Cb 0.15 -3.31 -0.07 0.00 -0.22 0.00 0.00 33.01 29.55 1sx4 s GLN 184 CO 0.84 0.44 1.17 -0.51 -0.25 0.00 0.00 175.29 176.98 1sx4 s ASP 185 N -0.45 6.11 0.07 5.90 1.01 -1.26 -3.82 116.67 124.24 1sx4 s ASP 185 Ca 0.31 2.31 0.05 0.00 0.71 0.00 0.00 52.55 55.93 1sx4 s ASP 185 Cb -0.19 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1sx4 s ASP 185 CO 0.18 -0.96 -0.14 -1.61 0.21 0.00 0.00 175.17 172.86 1sx4 s GLU 186 N -2.75 0.79 -0.16 8.23 2.02 -0.96 -4.94 118.70 120.93 1sx4 s GLU 186 Ca 0.64 -0.93 -0.00 0.00 0.02 0.00 0.00 54.97 54.70 1sx4 s GLU 186 Cb -0.29 -0.78 0.04 0.00 0.10 0.00 0.00 34.13 33.20 1sx4 s GLU 186 CO 0.34 0.17 -0.06 -1.17 0.02 0.00 0.00 175.26 174.57 1sx4 s LEU 187 N -1.71 1.57 -0.04 1.80 0.20 -1.26 -0.63 118.68 118.61 1sx4 s LEU 187 Ca -0.03 -0.62 0.04 0.00 0.69 0.00 0.00 54.13 54.21 1sx4 s LEU 187 Cb -0.10 -0.91 -0.00 0.00 -0.43 0.00 0.00 46.19 44.75 1sx4 s LEU 187 CO 0.02 -0.17 -0.14 -1.81 -0.29 0.00 0.00 176.35 173.95 1sx4 s ASP 188 N 1.64 1.84 0.11 3.68 1.01 -0.57 -5.00 116.67 119.38 1sx4 s ASP 188 Ca 0.01 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 52.84 1sx4 s ASP 188 Cb -0.15 -0.50 -0.06 0.00 1.01 0.00 0.00 42.92 43.21 1sx4 s ASP 188 CO -0.08 0.12 0.50 0.68 0.21 0.00 0.00 175.17 176.61 1sx4 s VAL 189 N 0.09 4.92 0.09 -1.27 -7.23 -1.26 -0.28 120.40 115.46 1sx4 s VAL 189 Ca -0.04 0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 60.69 1sx4 s VAL 189 Cb -0.11 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 33.17 1sx4 s VAL 189 CO 0.02 0.32 0.53 0.54 -0.31 0.00 0.00 175.10 176.20 1sx4 s VAL 190 N -1.37 0.03 0.23 1.32 0.11 -0.87 -4.97 120.40 114.87 1sx4 s VAL 190 Ca 0.34 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 1sx4 s VAL 190 Cb -0.15 -1.02 -0.11 0.00 -1.53 0.00 0.00 36.38 33.57 1sx4 s VAL 190 CO 0.18 -0.12 1.63 -1.61 -3.33 0.00 0.00 175.10 171.85 1sx4 s GLU 191 N -3.00 4.15 0.00 1.54 0.41 -1.26 -1.49 118.70 119.05 1sx4 s GLU 191 Ca -0.02 2.53 0.00 0.00 -0.41 0.00 0.00 54.97 57.07 1sx4 s GLU 191 Cb -0.00 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 1sx4 s GLU 191 CO -0.06 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.46 1sx4 n GLY 192 N 3.21 -0.59 0.00 -1.39 0.00 -1.26 -1.60 105.19 103.56 1sx4 n GLY 192 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.83 1.61 1.56 -1.02 -4.52 117.12 110.93 1sx4 n MET 193 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 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 0.04 0.02 2.12 0.74 -1.26 -0.60 119.66 118.73 1sx4 s GLN 194 Ca 0.00 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1sx4 s GLN 194 Cb 0.00 -0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 1sx4 s GLN 194 CO 0.00 -0.05 -0.06 -0.59 -0.55 0.00 0.00 175.29 174.04 1sx4 s PHE 195 N 0.34 0.49 -0.96 1.67 -0.71 0.40 -5.00 117.98 114.22 1sx4 s PHE 195 Ca -0.03 -0.37 -0.15 0.00 -1.04 0.00 0.00 56.93 55.34 1sx4 s PHE 195 Cb -0.04 -0.31 -0.09 0.00 -1.21 0.00 0.00 43.02 41.37 1sx4 s PHE 195 CO -0.01 -0.08 2.09 -0.25 -1.34 0.00 0.00 175.22 175.62 1sx4 n ASP 196 N 1.95 3.83 -3.94 1.98 8.00 -1.26 -1.72 116.55 125.38 1sx4 n ASP 196 Ca -0.20 -2.58 -0.13 0.00 0.71 0.00 0.00 54.79 52.59 1sx4 n ASP 196 Cb 0.56 -1.21 -0.13 0.00 -0.02 0.00 0.00 41.12 40.32 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 4.09 0.26 0.33 -1.24 1.81 -1.18 -4.90 118.95 118.11 1sx4 s ARG 197 Ca 0.51 -0.25 0.08 0.00 -1.72 0.00 0.00 55.73 54.36 1sx4 s ARG 197 Cb 0.13 -0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 1sx4 s ARG 197 CO 0.03 0.04 0.18 0.20 -0.68 0.00 0.00 175.30 175.07 1sx4 s GLY 198 N -0.44 1.85 0.56 -3.53 0.00 -1.26 -1.40 107.32 103.09 1sx4 s GLY 198 Ca -0.03 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 42.76 1sx4 s GLY 198 CO -0.00 -1.69 0.57 1.58 0.00 0.00 0.00 173.10 173.56 1sx4 n TYR 199 N -1.20 -0.53 1.17 1.90 0.18 -0.82 -4.36 117.16 113.49 1sx4 n TYR 199 Ca -0.03 0.45 0.13 0.00 1.88 0.00 0.00 57.90 60.33 1sx4 n TYR 199 Cb 0.60 -1.97 0.37 0.00 -0.38 0.00 0.00 39.34 37.96 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 0.47 0.75 -3.64 -3.48 4.77 -0.92 -4.83 117.00 110.12 1sx4 n LEU 200 Ca 0.12 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1sx4 n LEU 200 Cb 0.47 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1sx4 n LEU 200 CO 0.51 0.15 0.39 -0.55 -1.33 0.00 0.00 177.39 176.57 1sx4 s SER 201 N -2.69 -0.90 0.64 -1.43 0.15 -1.26 -5.04 113.70 103.18 1sx4 s SER 201 Ca 0.20 1.41 0.36 0.00 0.70 0.00 0.00 55.95 58.62 1sx4 s SER 201 Cb 0.19 1.44 1.97 0.00 -1.71 0.00 0.00 66.02 67.91 1sx4 s SER 201 CO 0.58 -0.22 2.16 -0.65 1.20 0.00 0.00 173.24 176.31 1sx4 h PRO 202 N 6.95 0.00 0.00 5.44 0.11 -2.01 -1.59 132.00 140.90 1sx4 h PRO 202 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 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 0.16 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.61 1sx4 n TYR 203 N -3.24 0.00 0.15 0.65 4.01 -1.26 -1.87 117.16 115.60 1sx4 n TYR 203 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1sx4 n TYR 203 Cb 0.23 -0.32 0.19 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.75 -0.72 0.04 -1.63 -3.45 116.94 109.43 1sx4 h PHE 204 Ca 0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 1sx4 h PHE 204 Cb 0.22 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.40 1sx4 h PHE 204 CO 0.00 0.56 0.77 -0.89 -0.60 0.00 0.00 178.31 178.14 1sx4 n ILE 205 N -3.60 0.21 0.48 -0.55 5.41 -0.78 -4.79 119.36 115.73 1sx4 n ILE 205 Ca -0.00 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1sx4 n ILE 205 Cb 0.62 -1.22 0.04 0.00 -0.71 0.00 0.00 39.64 38.37 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 4.37 1.91 -3.33 4.38 0.23 -1.20 -4.79 115.26 116.83 1sx4 n ASN 206 Ca 0.22 -1.46 -0.26 0.00 -0.53 0.00 0.00 54.58 52.55 1sx4 n ASN 206 Cb 0.19 0.03 -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 0.59 0.53 0.18 -3.83 5.02 -1.09 -5.00 118.16 114.57 1sx4 n LYS 207 Ca 0.07 -3.29 0.08 0.00 -2.02 0.00 0.00 58.31 53.15 1sx4 n LYS 207 Cb 0.28 -1.53 0.45 0.00 -0.02 0.00 0.00 35.03 34.21 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 4.92 0.00 0.00 1.97 0.13 -1.87 -2.19 132.00 134.97 1sx4 h PRO 208 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1sx4 h PRO 208 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1sx4 h PRO 208 CO 0.43 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 178.87 1sx4 h GLU 209 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -2.53 114.58 114.01 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 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1sx4 h GLU 209 CO 0.00 0.26 -0.48 2.41 -1.40 0.00 0.00 179.01 179.81 1sx4 n THR 210 N -3.18 0.00 -3.92 1.13 -1.04 -0.84 -4.98 114.28 101.46 1sx4 n THR 210 Ca 0.03 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 1sx4 n THR 210 Cb 0.62 0.92 -0.00 0.00 -1.82 0.00 0.00 70.33 70.06 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 1.41 -0.56 3.28 3.41 0.00 -0.96 -4.97 105.19 106.81 1sx4 n GLY 211 Ca 0.09 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.77 -0.73 -0.15 4.61 0.00 -1.23 -4.41 121.76 116.08 1sx4 s ALA 212 Ca 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1sx4 s ALA 212 Cb -0.10 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1sx4 s ALA 212 CO 0.90 -0.51 0.03 0.08 0.00 0.00 0.00 175.76 176.26 1sx4 s VAL 213 N -3.20 4.50 -0.28 0.00 1.01 -0.41 -2.67 120.40 119.35 1sx4 s VAL 213 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1sx4 s VAL 213 Cb 0.01 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.50 1sx4 s VAL 213 CO -0.07 0.51 0.09 -0.70 0.00 0.00 0.00 175.10 174.92 1sx4 s GLU 214 N 0.05 0.65 -0.09 2.72 2.12 -1.26 -0.72 118.70 122.17 1sx4 s GLU 214 Ca 0.04 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 1sx4 s GLU 214 Cb -0.13 -1.91 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 1sx4 s GLU 214 CO 0.01 -0.91 0.00 -0.51 -0.54 0.00 0.00 175.26 173.32 1sx4 s LEU 215 N 1.73 3.57 -0.24 2.70 1.43 -0.66 -4.98 118.68 122.24 1sx4 s LEU 215 Ca 0.07 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1sx4 s LEU 215 Cb -0.17 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1sx4 s LEU 215 CO -0.23 0.37 -0.04 -1.61 0.23 0.00 0.00 176.35 175.07 1sx4 s GLU 216 N -0.81 3.10 -1.29 1.70 2.02 -1.26 -2.50 118.70 119.67 1sx4 s GLU 216 Ca 0.12 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 1sx4 s GLU 216 Cb -0.11 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1sx4 s GLU 216 CO 0.02 -0.31 0.26 0.43 0.02 0.00 0.00 175.26 175.68 1sx4 n SER 217 N 4.75 -4.98 -4.78 -0.19 7.64 -0.99 -4.61 113.62 110.46 1sx4 n SER 217 Ca -0.17 -0.13 -0.35 0.00 1.01 0.00 0.00 58.87 59.23 1sx4 n SER 217 Cb 0.49 -3.95 -0.01 0.00 -1.01 0.00 0.00 64.21 59.73 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 -5.15 3.55 0.53 1.43 0.04 -1.21 -4.78 135.00 129.42 1sx4 s PRO 218 Ca 0.13 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1sx4 s PRO 218 Cb -0.06 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1sx4 s PRO 218 CO 0.16 -0.67 1.03 -0.06 0.04 0.00 0.00 177.00 177.50 1sx4 s PHE 219 N -1.83 3.10 -0.20 0.56 0.08 -0.79 -3.12 117.98 115.79 1sx4 s PHE 219 Ca 0.70 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.29 1sx4 s PHE 219 Cb -0.21 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1sx4 s PHE 219 CO 0.25 -0.81 -0.07 0.42 -0.10 0.00 0.00 175.22 174.91 1sx4 s ILE 220 N -2.31 1.47 -0.06 0.64 1.01 0.24 -1.08 121.20 121.12 1sx4 s ILE 220 Ca 0.64 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 1sx4 s ILE 220 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1sx4 s ILE 220 CO 0.28 0.07 0.99 -0.22 0.00 0.00 0.00 174.94 176.06 1sx4 s LEU 221 N 1.46 4.30 -0.70 2.97 2.96 0.10 0.11 118.68 129.88 1sx4 s LEU 221 Ca -0.02 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1sx4 s LEU 221 Cb -0.17 -3.55 0.28 0.00 0.50 0.00 0.00 46.19 43.25 1sx4 s LEU 221 CO -0.07 -0.36 0.94 0.18 -1.32 0.00 0.00 176.35 175.71 1sx4 n LEU 222 N 4.50 4.44 -4.74 -0.68 4.77 -1.26 -0.81 117.00 123.22 1sx4 n LEU 222 Ca 0.07 -5.47 -0.39 0.00 -0.03 0.00 0.00 56.01 50.20 1sx4 n LEU 222 Cb 0.50 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1sx4 n LEU 222 CO 0.52 2.07 0.33 0.00 -1.33 0.00 0.00 177.39 178.98 1sx4 s ALA 223 N -2.82 3.41 -1.08 -1.18 0.00 -1.18 -2.28 121.76 116.65 1sx4 s ALA 223 Ca 0.41 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1sx4 s ALA 223 Cb 0.16 -2.84 0.28 0.00 0.00 0.00 0.00 23.12 20.73 1sx4 s ALA 223 CO -0.03 0.02 1.19 -3.47 0.00 0.00 0.00 175.76 173.48 1sx4 n ASP 224 N 3.32 5.64 -3.56 0.00 2.03 -0.57 -3.26 116.55 120.15 1sx4 n ASP 224 Ca -0.04 -3.17 0.03 0.00 0.52 0.00 0.00 54.79 52.13 1sx4 n ASP 224 Cb 0.51 -1.30 -0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 -1.79 0.05 -0.16 -0.67 -2.85 -1.26 -3.92 119.74 109.14 1sx4 s LYS 225 Ca 0.31 -0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.02 1sx4 s LYS 225 Cb -0.05 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.72 1sx4 s LYS 225 CO -0.03 -0.02 0.76 0.15 0.10 0.00 0.00 175.35 176.31 1sx4 s LYS 226 N -2.05 4.29 -0.41 1.78 1.02 -1.26 -1.75 119.74 121.36 1sx4 s LYS 226 Ca 0.15 0.89 -0.18 0.00 0.02 0.00 0.00 55.97 56.84 1sx4 s LYS 226 Cb 0.07 -3.56 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1sx4 s LYS 226 CO -0.06 -0.25 0.51 0.42 -0.92 0.00 0.00 175.35 175.05 1sx4 s ILE 227 N 1.91 4.99 -0.17 2.17 1.01 0.24 -4.90 121.20 126.45 1sx4 s ILE 227 Ca 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 1sx4 s ILE 227 Cb -0.16 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1sx4 s ILE 227 CO 0.13 -0.43 -0.18 -1.20 0.00 0.00 0.00 174.94 173.26 1sx4 n SER 228 N 5.83 2.05 -4.77 3.58 7.64 -1.26 -0.41 113.62 126.28 1sx4 n SER 228 Ca -0.05 0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.52 1sx4 n SER 228 Cb 0.48 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 1sx4 n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1sx4 s ASN 229 N -6.02 5.71 0.01 6.43 0.01 -1.26 -1.65 114.94 118.17 1sx4 s ASN 229 Ca -0.23 0.27 0.24 0.00 -0.71 0.00 0.00 52.86 52.43 1sx4 s ASN 229 Cb 0.07 -1.71 1.03 0.00 0.41 0.00 0.00 41.25 41.05 1sx4 s ASN 229 CO 0.34 0.38 1.78 0.00 -1.51 0.00 0.00 177.10 178.09 1sx4 n ILE 230 N 1.98 0.34 -0.05 0.60 3.06 -1.26 -3.64 119.36 120.39 1sx4 n ILE 230 Ca -0.19 0.07 -0.09 0.00 -2.50 0.00 0.00 62.75 60.05 1sx4 n ILE 230 Cb 0.54 -0.67 -0.03 0.00 0.54 0.00 0.00 39.64 40.03 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 0.19 -0.07 9.51 3.08 -2.01 -1.59 114.38 123.49 1sx4 h ARG 231 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1sx4 h ARG 231 Cb 0.43 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1sx4 h ARG 231 CO 0.00 0.13 0.08 0.93 -1.07 0.00 0.00 179.97 180.04 1sx4 h GLU 232 N 0.20 0.00 0.16 0.04 5.08 -1.95 -3.13 114.58 114.98 1sx4 h GLU 232 Ca 0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1sx4 h GLU 232 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.32 1sx4 h GLU 232 CO -0.08 0.00 -1.24 0.52 -1.00 0.00 0.00 179.01 177.21 1sx4 h MET 233 N 0.00 0.55 -0.73 2.33 2.86 -1.47 -3.19 114.93 115.29 1sx4 h MET 233 Ca 0.03 -0.81 0.21 0.00 -2.06 0.00 0.00 59.70 57.07 1sx4 h MET 233 Cb 0.19 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1sx4 h MET 233 CO -0.00 1.37 0.61 -0.07 1.06 0.00 0.00 176.91 179.89 1sx4 h LEU 234 N 0.14 0.00 -0.51 1.22 3.38 -1.45 0.28 115.31 118.36 1sx4 h LEU 234 Ca -0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1sx4 h LEU 234 Cb 1.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1sx4 h LEU 234 CO 0.24 0.00 -0.38 1.55 0.09 0.00 0.00 178.44 179.94 1sx4 h PRO 235 N 0.00 0.80 0.13 1.13 0.13 -1.83 -3.09 132.00 129.27 1sx4 h PRO 235 Ca 0.35 -0.41 -0.30 0.00 -0.87 0.00 0.00 66.00 64.77 1sx4 h PRO 235 Cb 1.57 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.73 1sx4 h PRO 235 CO -0.00 1.04 -1.25 0.28 -0.23 0.00 0.00 178.00 177.83 1sx4 h VAL 236 N 0.66 1.31 0.00 1.56 2.07 -0.66 -2.94 116.25 118.26 1sx4 h VAL 236 Ca 0.06 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1sx4 h VAL 236 Cb 0.93 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1sx4 h VAL 236 CO 0.09 0.77 0.00 -0.07 0.02 0.00 0.00 177.57 178.38 1sx4 h LEU 237 N 0.24 0.00 0.12 2.57 3.38 -1.53 -2.05 115.31 118.04 1sx4 h LEU 237 Ca -0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.47 1sx4 h LEU 237 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1sx4 h LEU 237 CO 0.23 0.00 -1.60 -0.33 0.09 0.00 0.00 178.44 176.84 1sx4 h GLU 238 N 0.00 0.26 -0.27 1.13 5.08 -1.53 -2.45 114.58 116.80 1sx4 h GLU 238 Ca 0.00 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 1sx4 h GLU 238 Cb 0.35 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sx4 h GLU 238 CO 0.00 1.12 -0.49 0.00 -1.00 0.00 0.00 179.01 178.64 1sx4 h ALA 239 N 0.44 0.62 -0.18 3.43 0.00 -1.32 -2.84 119.26 119.40 1sx4 h ALA 239 Ca -0.27 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 1sx4 h ALA 239 Cb 2.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1sx4 h ALA 239 CO 0.16 0.68 -0.30 0.28 0.00 0.00 0.00 179.25 180.07 1sx4 h VAL 240 N 0.59 1.34 0.00 0.00 2.07 -1.50 -2.55 116.25 116.20 1sx4 h VAL 240 Ca 0.03 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1sx4 h VAL 240 Cb 1.06 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1sx4 h VAL 240 CO 0.10 0.46 -0.07 0.00 0.02 0.00 0.00 177.57 178.08 1sx4 h ALA 241 N 0.59 1.69 0.06 1.67 0.00 -1.46 -2.65 119.26 119.16 1sx4 h ALA 241 Ca 0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 241 Cb 0.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sx4 h ALA 241 CO 0.07 0.09 -1.16 0.87 0.00 0.00 0.00 179.25 179.12 1sx4 h LYS 242 N 0.00 0.13 0.00 0.00 1.57 -1.41 -3.02 116.57 113.84 1sx4 h LYS 242 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 242 Cb 0.15 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1sx4 h LYS 242 CO 0.01 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.97 1sx4 n ALA 243 N -2.45 2.56 -3.99 3.86 0.00 -0.97 -4.90 120.51 114.63 1sx4 n ALA 243 Ca -0.05 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 1sx4 n ALA 243 Cb 0.99 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 0.77 -0.48 3.29 0.00 0.00 -1.05 -4.97 105.19 102.75 1sx4 n GLY 244 Ca 0.19 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.70 1.17 0.95 1.61 1.02 -1.19 -5.08 119.74 111.52 1sx4 s LYS 245 Ca 0.69 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 1sx4 s LYS 245 Cb -0.35 -1.20 0.16 0.00 -0.52 0.00 0.00 37.83 35.91 1sx4 s LYS 245 CO 0.85 0.25 1.13 -1.25 -0.92 0.00 0.00 175.35 175.41 1sx4 s PRO 246 N -2.59 0.82 -0.07 -1.68 0.04 -1.26 -4.61 135.00 125.64 1sx4 s PRO 246 Ca 0.12 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1sx4 s PRO 246 Cb -0.06 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1sx4 s PRO 246 CO 0.05 -2.41 0.15 -1.17 0.04 0.00 0.00 177.00 173.66 1sx4 s LEU 247 N -6.17 0.71 -0.24 -3.56 2.96 -1.16 -1.88 118.68 109.35 1sx4 s LEU 247 Ca 0.65 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.80 1sx4 s LEU 247 Cb -0.15 0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.90 1sx4 s LEU 247 CO 0.54 -0.15 0.09 -0.22 -1.32 0.00 0.00 176.35 175.30 1sx4 s LEU 248 N 1.16 3.66 -0.22 -0.68 2.96 -0.24 -1.69 118.68 123.63 1sx4 s LEU 248 Ca -0.09 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.59 1sx4 s LEU 248 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1sx4 s LEU 248 CO -0.06 0.02 0.34 -0.63 -1.32 0.00 0.00 176.35 174.70 1sx4 s ILE 249 N 1.30 5.23 -0.63 6.68 -1.09 -0.12 0.02 121.20 132.59 1sx4 s ILE 249 Ca 0.05 0.58 0.05 0.00 -2.23 0.00 0.00 60.65 59.10 1sx4 s ILE 249 Cb -0.15 -3.68 0.16 0.00 -1.58 0.00 0.00 42.46 37.22 1sx4 s ILE 249 CO 0.04 0.26 0.43 -0.63 -1.23 0.00 0.00 174.94 173.81 1sx4 s ILE 250 N 1.33 2.49 0.52 2.92 1.01 0.01 -1.30 121.20 128.19 1sx4 s ILE 250 Ca 0.16 -3.86 0.05 0.00 0.00 0.00 0.00 60.65 57.00 1sx4 s ILE 250 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1sx4 s ILE 250 CO 0.07 -0.99 0.27 0.00 0.00 0.00 0.00 174.94 174.30 1sx4 s ALA 251 N -1.01 4.25 0.25 9.38 0.00 -1.22 -3.08 121.76 130.33 1sx4 s ALA 251 Ca 0.24 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1sx4 s ALA 251 Cb -0.08 -0.50 0.50 0.00 0.00 0.00 0.00 23.12 23.03 1sx4 s ALA 251 CO -0.13 -0.30 1.73 1.49 0.00 0.00 0.00 175.76 178.55 1sx4 h GLU 252 N 0.99 0.44 -2.30 0.00 4.81 -1.32 0.69 114.58 117.89 1sx4 h GLU 252 Ca -0.39 -0.03 0.18 0.00 -0.13 0.00 0.00 59.36 58.99 1sx4 h GLU 252 Cb 1.30 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 1sx4 h GLU 252 CO 0.63 0.29 0.50 0.34 -0.73 0.00 0.00 179.01 180.04 1sx4 s ASP 253 N -5.33 -0.18 -0.06 1.04 -1.08 -1.24 -4.07 116.67 105.75 1sx4 s ASP 253 Ca -0.12 -0.37 -0.01 0.00 -0.52 0.00 0.00 52.55 51.52 1sx4 s ASP 253 Cb 0.21 0.47 0.03 0.00 -1.46 0.00 0.00 42.92 42.17 1sx4 s ASP 253 CO 0.77 -0.86 0.01 -0.69 0.52 0.00 0.00 175.17 174.92 1sx4 s VAL 254 N -3.24 0.27 0.11 1.11 1.01 -1.26 -0.59 120.40 117.81 1sx4 s VAL 254 Ca 0.12 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1sx4 s VAL 254 Cb -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1sx4 s VAL 254 CO 0.01 0.24 -0.16 -1.61 0.00 0.00 0.00 175.10 173.59 1sx4 s GLU 255 N 1.96 1.89 0.00 2.72 2.02 0.46 -4.66 118.70 123.08 1sx4 s GLU 255 Ca 0.04 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1sx4 s GLU 255 Cb -0.12 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1sx4 s GLU 255 CO -0.05 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1sx4 n GLY 256 N 0.79 0.08 0.00 -1.39 0.00 -1.26 -2.33 105.19 101.08 1sx4 n GLY 256 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.09 1.61 0.00 -1.26 -0.25 120.64 120.84 1sx4 n GLU 257 Ca 0.00 0.56 0.12 0.00 0.00 0.00 0.00 57.16 57.84 1sx4 n GLU 257 Cb 0.00 -0.98 0.62 0.00 0.00 0.00 0.00 31.44 31.07 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 -1.45 2.15 0.66 4.31 0.00 -0.90 -0.55 119.26 123.48 1sx4 h ALA 258 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 258 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sx4 h ALA 258 CO 0.00 -0.22 -0.32 1.25 0.00 0.00 0.00 179.25 179.96 1sx4 h LEU 259 N 0.11 -0.75 -2.95 0.00 5.85 -1.13 -1.27 115.31 115.16 1sx4 h LEU 259 Ca 0.14 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1sx4 h LEU 259 Cb 0.43 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1sx4 h LEU 259 CO -0.02 -0.39 0.01 0.00 -0.34 0.00 0.00 178.44 177.71 1sx4 h ALA 260 N -1.29 1.01 0.32 1.25 0.00 -0.22 -0.80 119.26 119.54 1sx4 h ALA 260 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 260 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 260 CO 0.15 -0.01 -0.16 1.15 0.00 0.00 0.00 179.25 180.38 1sx4 h THR 261 N 0.00 0.24 -0.23 0.00 2.02 -1.01 -2.77 112.91 111.16 1sx4 h THR 261 Ca 0.00 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.44 1sx4 h THR 261 Cb 0.02 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1sx4 h THR 261 CO 0.00 0.06 0.16 -0.07 0.37 0.00 0.00 175.52 176.04 1sx4 h LEU 262 N -1.06 0.23 0.64 2.58 3.38 -0.69 0.40 115.31 120.81 1sx4 h LEU 262 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1sx4 h LEU 262 Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1sx4 h LEU 262 CO 0.07 0.17 -0.44 0.58 0.09 0.00 0.00 178.44 178.92 1sx4 h VAL 263 N 0.28 0.12 0.00 1.22 2.07 -1.25 -1.84 116.25 116.85 1sx4 h VAL 263 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1sx4 h VAL 263 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1sx4 h VAL 263 CO -0.02 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.09 1sx4 n VAL 264 N -5.56 0.86 0.13 2.57 0.31 -0.93 -1.72 118.33 114.00 1sx4 n VAL 264 Ca -0.13 0.21 0.04 0.00 -0.01 0.00 0.00 64.34 64.45 1sx4 n VAL 264 Cb 0.45 -0.97 0.02 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.54 -3.26 115.58 116.04 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 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1sx4 h ASN 265 CO 0.00 0.40 -0.89 0.35 -1.06 0.00 0.00 177.43 176.23 1sx4 n THR 266 N -3.10 0.00 0.20 2.81 -2.24 -0.73 -1.73 114.28 109.49 1sx4 n THR 266 Ca 0.00 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1sx4 n THR 266 Cb 0.71 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.00 -0.47 -0.07 -0.78 -1.53 -1.41 -3.10 114.93 107.57 1sx4 h MET 267 Ca 0.00 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1sx4 h MET 267 Cb 0.45 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.60 1sx4 h MET 267 CO 0.00 -0.21 0.00 0.54 0.14 0.00 0.00 176.91 177.38 1sx4 n ARG 268 N -5.23 1.41 -3.41 0.39 1.74 -1.23 -4.96 116.66 105.38 1sx4 n ARG 268 Ca -0.10 -0.62 -0.19 0.00 -0.77 0.00 0.00 57.85 56.17 1sx4 n ARG 268 Cb 0.26 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.02 -0.36 0.08 -0.13 0.00 -1.17 -4.97 105.19 99.65 1sx4 n GLY 269 Ca 0.17 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.10 1.57 -3.36 -0.61 2.04 -1.65 -3.45 117.51 109.96 1sx4 h ILE 270 Ca -0.53 -2.29 -0.43 0.00 1.00 0.00 0.00 64.86 62.61 1sx4 h ILE 270 Cb 1.33 3.08 -0.36 0.00 -0.74 0.00 0.00 36.82 40.13 1sx4 h ILE 270 CO 0.49 0.53 -0.77 -0.69 0.00 0.00 0.00 178.15 177.71 1sx4 s VAL 271 N -2.24 0.53 -0.02 1.67 1.01 -1.17 -5.04 120.40 115.15 1sx4 s VAL 271 Ca -0.21 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1sx4 s VAL 271 Cb -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1sx4 s VAL 271 CO 0.66 0.25 1.27 -0.54 0.00 0.00 0.00 175.10 176.74 1sx4 s LYS 272 N 1.36 4.34 0.04 2.72 3.01 -1.26 -3.98 119.74 125.97 1sx4 s LYS 272 Ca -0.04 1.79 -0.09 0.00 -1.01 0.00 0.00 55.97 56.62 1sx4 s LYS 272 Cb -0.13 -3.52 0.00 0.00 -1.01 0.00 0.00 37.83 33.16 1sx4 s LYS 272 CO -0.03 -0.46 0.18 0.08 0.51 0.00 0.00 175.35 175.64 1sx4 s VAL 273 N 2.07 0.11 -0.07 3.17 1.01 -1.26 -2.96 120.40 122.47 1sx4 s VAL 273 Ca 0.59 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1sx4 s VAL 273 Cb -0.28 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1sx4 s VAL 273 CO 0.25 -0.51 0.34 0.00 0.00 0.00 0.00 175.10 175.17 1sx4 s ALA 274 N -2.56 -0.84 0.02 5.51 0.00 -0.68 -4.90 121.76 118.30 1sx4 s ALA 274 Ca -0.05 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1sx4 s ALA 274 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1sx4 s ALA 274 CO -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 175.76 175.37 1sx4 s ALA 275 N -0.64 1.06 -0.02 0.00 0.00 -1.26 -0.94 121.76 119.96 1sx4 s ALA 275 Ca -0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1sx4 s ALA 275 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1sx4 s ALA 275 CO 0.03 0.22 0.11 0.14 0.00 0.00 0.00 175.76 176.26 1sx4 s VAL 276 N -0.59 0.04 0.81 0.00 -7.23 -0.42 -2.16 120.40 110.86 1sx4 s VAL 276 Ca 0.03 -0.36 -0.14 0.00 -1.81 0.00 0.00 61.98 59.69 1sx4 s VAL 276 Cb -0.06 -0.28 0.05 0.00 0.56 0.00 0.00 36.38 36.65 1sx4 s VAL 276 CO 0.00 -0.20 0.91 0.29 -0.31 0.00 0.00 175.10 175.79 1sx4 n LYS 277 N 2.28 0.13 -2.01 4.82 5.02 -1.26 -3.45 118.16 123.69 1sx4 n LYS 277 Ca -0.18 0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1sx4 n LYS 277 Cb 0.57 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.12 2.86 0.40 7.82 0.00 0.23 -4.77 121.76 126.18 1sx4 s ALA 278 Ca 0.69 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 1sx4 s ALA 278 Cb -0.29 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1sx4 s ALA 278 CO 0.55 -0.73 1.16 -1.25 0.00 0.00 0.00 175.76 175.49 1sx4 s PRO 279 N -4.43 4.09 0.28 0.00 0.04 -1.26 -4.88 135.00 128.83 1sx4 s PRO 279 Ca 0.60 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1sx4 s PRO 279 Cb -0.13 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1sx4 s PRO 279 CO 0.42 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1sx4 n GLY 280 N 0.62 -1.88 3.04 0.56 0.00 -1.26 -4.62 105.19 101.66 1sx4 n GLY 280 Ca 0.04 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.12 0.57 0.00 1.61 -0.71 -1.26 -4.72 117.98 111.35 1sx4 s PHE 281 Ca 0.00 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1sx4 s PHE 281 Cb 0.00 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.46 1sx4 s PHE 281 CO 0.00 -0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.18 1sx4 n GLY 282 N 1.51 2.38 0.07 1.99 0.00 -1.26 -3.69 105.19 106.19 1sx4 n GLY 282 Ca -0.23 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.04 0.00 1.61 3.32 -2.02 -3.14 116.42 116.15 1sx4 h ASP 283 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 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 0.38 0.00 -2.11 -1.72 0.00 0.00 179.24 175.79 1sx4 n ARG 284 N -4.91 0.75 -0.03 3.56 1.85 -1.24 -3.31 116.66 113.32 1sx4 n ARG 284 Ca -0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.62 1sx4 n ARG 284 Cb 0.22 -1.44 -0.10 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.31 -0.42 2.89 2.43 -1.64 -2.95 114.38 114.99 1sx4 h ARG 285 Ca 0.00 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1sx4 h ARG 285 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1sx4 h ARG 285 CO 0.00 0.90 -0.23 0.87 -1.51 0.00 0.00 179.97 180.00 1sx4 h LYS 286 N -0.20 0.87 -0.34 0.20 1.57 -1.70 0.22 116.57 117.19 1sx4 h LYS 286 Ca -0.02 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1sx4 h LYS 286 Cb 0.96 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1sx4 h LYS 286 CO 0.06 1.01 0.22 0.00 -0.57 0.00 0.00 179.45 180.17 1sx4 h ALA 287 N 0.98 0.43 -0.22 3.86 0.00 -1.70 -1.53 119.26 121.08 1sx4 h ALA 287 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 287 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sx4 h ALA 287 CO 0.06 -0.11 -0.38 0.52 0.00 0.00 0.00 179.25 179.34 1sx4 h MET 288 N 0.46 0.49 -0.45 0.00 2.86 -1.20 -1.98 114.93 115.11 1sx4 h MET 288 Ca 0.12 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1sx4 h MET 288 Cb -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1sx4 h MET 288 CO -0.03 0.80 -0.16 1.25 1.06 0.00 0.00 176.91 179.83 1sx4 h LEU 289 N 0.41 0.91 -1.53 1.22 6.46 -0.55 -2.99 115.31 119.24 1sx4 h LEU 289 Ca 0.04 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.47 1sx4 h LEU 289 Cb 0.85 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1sx4 h LEU 289 CO 0.07 1.09 0.39 -0.61 -0.62 0.00 0.00 178.44 178.76 1sx4 h GLN 290 N 0.73 0.58 -0.66 1.25 5.75 -0.84 -2.22 115.11 119.70 1sx4 h GLN 290 Ca 0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1sx4 h GLN 290 Cb 0.72 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 1sx4 h GLN 290 CO 0.05 0.38 0.22 -0.44 -2.65 0.00 0.00 178.83 176.40 1sx4 h ASP 291 N 0.59 0.93 0.27 -0.69 5.19 -1.22 -1.36 116.42 120.13 1sx4 h ASP 291 Ca 0.25 -0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.34 1sx4 h ASP 291 Cb 0.22 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1sx4 h ASP 291 CO -0.07 0.86 -0.63 0.40 -3.12 0.00 0.00 179.24 176.68 1sx4 h ILE 292 N 0.97 1.37 0.12 0.35 2.04 -1.39 -1.96 117.51 119.01 1sx4 h ILE 292 Ca 0.22 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1sx4 h ILE 292 Cb 0.25 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1sx4 h ILE 292 CO -0.01 0.60 -0.23 0.00 0.00 0.00 0.00 178.15 178.50 1sx4 h ALA 293 N 1.08 -0.82 -1.00 1.87 0.00 -0.94 -0.98 119.26 118.47 1sx4 h ALA 293 Ca -0.01 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.12 1sx4 h ALA 293 Cb 1.16 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1sx4 h ALA 293 CO 0.10 -0.86 0.57 1.15 0.00 0.00 0.00 179.25 180.21 1sx4 h THR 294 N -0.38 0.41 -0.52 0.00 2.02 -1.19 0.32 112.91 113.57 1sx4 h THR 294 Ca -0.01 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1sx4 h THR 294 Cb 0.36 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1sx4 h THR 294 CO -0.09 0.08 0.01 0.25 0.37 0.00 0.00 175.52 176.14 1sx4 h LEU 295 N 0.43 0.89 -2.89 2.58 7.12 -1.02 -3.12 115.31 119.30 1sx4 h LEU 295 Ca 0.69 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1sx4 h LEU 295 Cb 1.45 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1sx4 h LEU 295 CO -0.55 0.97 0.00 0.35 -0.13 0.00 0.00 178.44 179.08 1sx4 n THR 296 N -4.31 1.17 -3.99 1.05 -2.24 -0.39 -2.29 114.28 103.29 1sx4 n THR 296 Ca 0.01 -1.07 -0.31 0.00 -2.27 0.00 0.00 64.05 60.41 1sx4 n THR 296 Cb 0.31 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.96 -0.45 3.96 3.38 0.00 0.98 -1.68 105.19 112.35 1sx4 n GLY 297 Ca 0.19 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.46 1.75 -0.17 -0.02 0.00 -0.54 -4.64 107.32 100.25 1sx4 s GLY 298 Ca 0.59 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 1sx4 s GLY 298 CO 0.86 -1.46 0.05 -1.59 0.00 0.00 0.00 173.10 170.96 1sx4 s THR 299 N -2.26 4.69 -0.03 0.90 2.01 0.18 -4.49 115.64 116.64 1sx4 s THR 299 Ca 0.47 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1sx4 s THR 299 Cb -0.09 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1sx4 s THR 299 CO 0.31 0.49 0.87 -0.69 -0.69 0.00 0.00 174.62 174.91 1sx4 s VAL 300 N 0.16 4.93 -0.94 3.82 1.01 -1.26 -4.54 120.40 123.59 1sx4 s VAL 300 Ca 0.04 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.70 1sx4 s VAL 300 Cb -0.12 -4.21 0.22 0.00 0.00 0.00 0.00 36.38 32.26 1sx4 s VAL 300 CO 0.01 0.19 0.95 -0.63 0.00 0.00 0.00 175.10 175.62 1sx4 s ILE 301 N 0.97 5.52 -0.34 2.22 1.01 -0.96 -4.95 121.20 124.67 1sx4 s ILE 301 Ca 0.46 -2.56 -0.17 0.00 0.00 0.00 0.00 60.65 58.39 1sx4 s ILE 301 Cb -0.20 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.69 1sx4 s ILE 301 CO 0.24 -1.18 0.44 -0.94 0.00 0.00 0.00 174.94 173.50 1sx4 s SER 302 N 2.25 6.26 0.67 3.58 1.04 -1.26 -1.51 113.70 124.72 1sx4 s SER 302 Ca 0.25 -0.11 0.30 0.00 0.48 0.00 0.00 55.95 56.87 1sx4 s SER 302 Cb -0.09 -2.24 1.64 0.00 0.10 0.00 0.00 66.02 65.44 1sx4 s SER 302 CO -0.08 -0.41 1.93 -0.33 0.98 0.00 0.00 173.24 175.32 1sx4 h GLU 303 N 8.45 0.00 -0.00 4.02 5.08 -1.74 -1.13 114.58 129.26 1sx4 h GLU 303 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1sx4 h GLU 303 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sx4 h GLU 303 CO 0.74 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.14 1sx4 n GLU 304 N -2.90 1.00 0.00 2.33 1.02 -1.26 -2.57 120.64 118.27 1sx4 n GLU 304 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1sx4 n GLU 304 Cb 0.38 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.62 0.00 -0.29 -3.67 5.41 -0.43 -5.04 119.36 114.72 1sx4 n ILE 305 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1sx4 n ILE 305 Cb 0.03 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.04 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 0.49 1.46 3.17 7.39 0.00 -1.06 -5.09 105.19 111.55 1sx4 n GLY 306 Ca 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.09 3.01 0.57 1.61 -1.94 -1.25 -5.06 119.30 115.14 1sx4 s MET 307 Ca 0.00 -0.84 -0.05 0.00 -1.71 0.00 0.00 55.69 53.10 1sx4 s MET 307 Cb 0.00 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1sx4 s MET 307 CO 0.00 -0.26 0.86 -1.21 -0.01 0.00 0.00 175.02 174.40 1sx4 s GLU 308 N 1.33 2.89 0.10 2.03 2.02 -1.26 -4.26 118.70 121.55 1sx4 s GLU 308 Ca 0.04 -0.13 0.24 0.00 0.02 0.00 0.00 54.97 55.14 1sx4 s GLU 308 Cb -0.14 -2.32 0.95 0.00 0.10 0.00 0.00 34.13 32.71 1sx4 s GLU 308 CO -0.09 -0.65 1.75 1.28 0.02 0.00 0.00 175.26 177.57 1sx4 n LEU 309 N -2.50 0.34 0.20 1.80 4.77 -1.26 -2.64 117.00 117.71 1sx4 n LEU 309 Ca 0.04 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1sx4 n LEU 309 Cb 0.58 -0.46 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 1sx4 n LEU 309 CO 0.51 -0.20 0.74 -0.33 -1.33 0.00 0.00 177.39 176.78 1sx4 h GLU 310 N 0.00 0.00 -3.06 3.23 3.07 -1.90 -3.25 114.58 112.66 1sx4 h GLU 310 Ca 0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.13 1sx4 h GLU 310 Cb 0.49 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.07 1sx4 h GLU 310 CO 0.00 0.34 0.17 1.63 -1.40 0.00 0.00 179.01 179.75 1sx4 n LYS 311 N -3.72 3.30 -3.48 2.33 5.02 -1.08 -4.89 118.16 115.64 1sx4 n LYS 311 Ca -0.01 -4.53 -0.07 0.00 -2.02 0.00 0.00 58.31 51.68 1sx4 n LYS 311 Cb 0.44 -2.44 -0.08 0.00 -0.02 0.00 0.00 35.03 32.93 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 -1.94 -1.31 0.48 7.82 0.00 -1.23 -4.68 121.76 120.90 1sx4 s ALA 312 Ca 0.31 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.71 1sx4 s ALA 312 Cb -0.01 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1sx4 s ALA 312 CO -0.04 -1.04 0.61 0.95 0.00 0.00 0.00 175.76 176.24 1sx4 s THR 313 N 2.63 2.53 0.30 0.00 -4.23 -1.26 -4.33 115.64 111.29 1sx4 s THR 313 Ca 0.06 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1sx4 s THR 313 Cb -0.14 -2.63 0.33 0.00 1.34 0.00 0.00 72.50 71.40 1sx4 s THR 313 CO -0.15 0.00 1.63 -0.07 -0.54 0.00 0.00 174.62 175.49 1sx4 h LEU 314 N 0.55 0.01 -1.06 4.79 3.38 -1.95 0.21 115.31 121.23 1sx4 h LEU 314 Ca -0.36 0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1sx4 h LEU 314 Cb 1.28 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1sx4 h LEU 314 CO 0.46 -0.20 0.69 -0.08 0.09 0.00 0.00 178.44 179.40 1sx4 h GLU 315 N 0.18 0.00 0.08 1.13 4.81 -2.00 0.23 114.58 119.01 1sx4 h GLU 315 Ca 0.60 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.52 1sx4 h GLU 315 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1sx4 h GLU 315 CO -0.69 0.00 -1.67 -0.44 -0.73 0.00 0.00 179.01 175.48 1sx4 h ASP 316 N 0.00 0.25 -3.66 1.04 3.32 -0.96 -3.43 116.42 112.99 1sx4 h ASP 316 Ca 0.04 -0.44 -0.53 0.00 0.02 0.00 0.00 57.03 56.13 1sx4 h ASP 316 Cb 1.42 -0.08 0.07 0.00 0.22 0.00 0.00 39.33 40.96 1sx4 h ASP 316 CO -0.00 1.38 0.71 -0.76 -1.72 0.00 0.00 179.24 178.85 1sx4 s LEU 317 N -6.70 4.39 1.17 1.55 1.02 0.82 0.48 118.68 121.42 1sx4 s LEU 317 Ca -0.10 2.72 -0.19 0.00 0.02 0.00 0.00 54.13 56.58 1sx4 s LEU 317 Cb 0.07 -3.64 0.28 0.00 0.02 0.00 0.00 46.19 42.92 1sx4 s LEU 317 CO 0.82 -0.65 1.17 -0.83 0.02 0.00 0.00 176.35 176.88 1sx4 s GLY 318 N -0.05 1.64 -0.25 -3.19 0.00 0.31 -4.56 107.32 101.21 1sx4 s GLY 318 Ca 0.54 -1.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 1sx4 s GLY 318 CO 0.50 -0.20 0.63 1.62 0.00 0.00 0.00 173.10 175.65 1sx4 s GLN 319 N -5.59 0.67 0.04 2.90 0.74 -0.67 0.83 119.66 118.57 1sx4 s GLN 319 Ca 0.73 1.07 -0.02 0.00 0.05 0.00 0.00 55.36 57.18 1sx4 s GLN 319 Cb -0.07 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 1sx4 s GLN 319 CO 0.55 -0.14 0.01 0.00 -0.55 0.00 0.00 175.29 175.17 1sx4 s ALA 320 N 1.25 0.21 -0.51 1.58 0.00 -1.18 -1.66 121.76 121.44 1sx4 s ALA 320 Ca -0.07 -0.82 0.26 0.00 0.00 0.00 0.00 51.96 51.32 1sx4 s ALA 320 Cb -0.05 0.24 0.85 0.00 0.00 0.00 0.00 23.12 24.15 1sx4 s ALA 320 CO -0.13 -0.30 1.76 0.87 0.00 0.00 0.00 175.76 177.96 1sx4 h LYS 321 N 3.71 0.00 -2.20 0.00 1.57 0.20 -3.20 116.57 116.65 1sx4 h LYS 321 Ca -0.33 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1sx4 h LYS 321 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1sx4 h LYS 321 CO 0.54 0.00 0.33 0.50 -0.57 0.00 0.00 179.45 180.25 1sx4 s ARG 322 N -3.25 0.97 -0.08 3.15 3.52 -0.83 -2.33 118.95 120.09 1sx4 s ARG 322 Ca 0.07 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.51 1sx4 s ARG 322 Cb 0.10 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.97 1sx4 s ARG 322 CO 0.54 -0.36 0.30 0.14 -0.81 0.00 0.00 175.30 175.11 1sx4 s VAL 323 N -2.16 0.02 -0.08 7.11 -7.23 -1.04 0.10 120.40 117.11 1sx4 s VAL 323 Ca -0.03 -0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.96 1sx4 s VAL 323 Cb -0.01 -0.49 0.03 0.00 0.56 0.00 0.00 36.38 36.48 1sx4 s VAL 323 CO -0.01 -0.10 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.97 1sx4 s VAL 324 N -0.34 0.54 0.08 1.32 1.01 -0.71 -1.65 120.40 120.65 1sx4 s VAL 324 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1sx4 s VAL 324 Cb -0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1sx4 s VAL 324 CO 0.02 0.29 -0.24 0.27 0.00 0.00 0.00 175.10 175.43 1sx4 s ILE 325 N 1.85 1.99 0.53 2.22 -4.36 0.10 -1.82 121.20 121.71 1sx4 s ILE 325 Ca 0.04 -1.48 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 1sx4 s ILE 325 Cb -0.12 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 41.86 1sx4 s ILE 325 CO -0.06 0.18 0.33 0.20 0.24 0.00 0.00 174.94 175.82 1sx4 s ASN 326 N -1.58 4.55 0.20 4.36 0.01 0.02 -1.29 114.94 121.22 1sx4 s ASN 326 Ca 0.10 -1.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.00 1sx4 s ASN 326 Cb -0.10 0.35 0.55 0.00 0.41 0.00 0.00 41.25 42.46 1sx4 s ASN 326 CO 0.04 -1.02 1.00 1.17 -1.51 0.00 0.00 177.10 176.78 1sx4 n LYS 327 N -1.65 -0.05 -0.27 -0.60 4.81 -1.26 -1.95 118.16 117.19 1sx4 n LYS 327 Ca -0.04 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1sx4 n LYS 327 Cb 0.65 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.17 1sx4 n LYS 327 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1sx4 n ASP 328 N -4.77 0.00 -3.94 3.14 5.68 -1.26 -4.12 116.55 111.28 1sx4 n ASP 328 Ca 0.17 -1.33 -0.19 0.00 -0.50 0.00 0.00 54.79 52.94 1sx4 n ASP 328 Cb 0.55 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 40.31 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 0.55 -0.15 2.12 2.01 -1.18 -3.12 115.64 115.87 1sx4 s THR 329 Ca 0.00 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1sx4 s THR 329 Cb 0.00 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1sx4 s THR 329 CO 0.00 0.19 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.15 1sx4 s THR 330 N 0.38 3.41 -0.10 -0.82 2.01 -0.49 -0.80 115.64 119.24 1sx4 s THR 330 Ca -0.05 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1sx4 s THR 330 Cb -0.09 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.98 1sx4 s THR 330 CO 0.00 0.50 -0.05 0.28 -0.69 0.00 0.00 174.62 174.67 1sx4 s THR 331 N 0.44 0.78 -0.25 -0.82 -1.32 -0.76 -0.45 115.64 113.27 1sx4 s THR 331 Ca -0.07 -0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 1sx4 s THR 331 Cb -0.15 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1sx4 s THR 331 CO 0.04 0.33 0.11 -0.63 -2.21 0.00 0.00 174.62 172.25 1sx4 s ILE 332 N 1.78 4.72 -0.22 5.08 1.01 0.24 -1.74 121.20 132.06 1sx4 s ILE 332 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1sx4 s ILE 332 Cb -0.12 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1sx4 s ILE 332 CO -0.07 0.34 -0.04 -0.63 0.00 0.00 0.00 174.94 174.53 1sx4 s ILE 333 N 1.41 3.33 -0.31 2.92 1.01 0.11 -2.43 121.20 127.25 1sx4 s ILE 333 Ca 0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1sx4 s ILE 333 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1sx4 s ILE 333 CO 0.05 0.39 0.17 -0.67 0.00 0.00 0.00 174.94 174.89 1sx4 n ASP 334 N 4.79 -7.45 -4.77 3.58 2.03 -0.63 -1.51 116.55 112.59 1sx4 n ASP 334 Ca -0.18 1.05 -0.39 0.00 0.52 0.00 0.00 54.79 55.79 1sx4 n ASP 334 Cb 0.50 -4.96 -0.06 0.00 -0.72 0.00 0.00 41.12 35.89 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sx4 s GLY 335 N -1.79 2.68 0.53 0.27 0.00 -0.80 -0.67 107.32 107.55 1sx4 s GLY 335 Ca 0.07 0.10 0.31 0.00 0.00 0.00 0.00 44.72 45.21 1sx4 s GLY 335 CO 0.71 0.74 1.94 -2.08 0.00 0.00 0.00 173.10 174.41 1sx4 h VAL 336 N 3.90 0.11 -1.59 1.40 2.07 -1.44 -3.46 116.25 117.25 1sx4 h VAL 336 Ca -0.46 -0.65 -0.70 0.00 0.82 0.00 0.00 66.70 65.71 1sx4 h VAL 336 Cb 1.21 1.58 0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1sx4 h VAL 336 CO 0.68 0.04 0.42 0.61 0.02 0.00 0.00 177.57 179.34 1sx4 n GLY 337 N 0.09 0.39 3.84 2.17 0.00 -0.97 -4.80 105.19 105.91 1sx4 n GLY 337 Ca 0.01 0.72 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 0.54 3.91 0.44 1.61 2.02 -1.26 -4.77 118.70 121.19 1sx4 s GLU 338 Ca 0.86 0.96 0.22 0.00 0.02 0.00 0.00 54.97 57.03 1sx4 s GLU 338 Cb -1.00 -2.13 1.03 0.00 0.10 0.00 0.00 34.13 32.13 1sx4 s GLU 338 CO 0.49 -0.31 1.90 0.93 0.02 0.00 0.00 175.26 178.29 1sx4 h GLU 339 N 0.85 0.00 -0.64 1.61 4.39 -1.95 -0.46 114.58 118.37 1sx4 h GLU 339 Ca -0.47 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.36 1sx4 h GLU 339 Cb 1.19 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 1sx4 h GLU 339 CO 0.61 0.25 0.09 0.00 -1.16 0.00 0.00 179.01 178.80 1sx4 h ALA 340 N 1.75 0.73 0.01 3.43 0.00 -2.00 -2.06 119.26 121.13 1sx4 h ALA 340 Ca -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 340 Cb 0.61 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 340 CO 0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.84 1sx4 h ALA 341 N 1.54 -0.00 -0.70 0.00 0.00 -1.52 -3.05 119.26 115.52 1sx4 h ALA 341 Ca 0.34 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sx4 h ALA 341 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1sx4 h ALA 341 CO -0.47 0.02 0.46 0.82 0.00 0.00 0.00 179.25 180.08 1sx4 h ILE 342 N -0.85 1.18 -0.22 0.00 2.04 -1.17 0.56 117.51 119.06 1sx4 h ILE 342 Ca -0.01 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1sx4 h ILE 342 Cb 1.01 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1sx4 h ILE 342 CO 0.02 0.18 -0.11 -0.61 0.00 0.00 0.00 178.15 177.63 1sx4 h GLN 343 N 0.95 0.46 -0.99 2.37 5.75 -1.55 -2.78 115.11 119.32 1sx4 h GLN 343 Ca 0.26 -0.20 0.15 0.00 -0.15 0.00 0.00 58.65 58.71 1sx4 h GLN 343 Cb -0.11 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.34 1sx4 h GLN 343 CO -0.06 0.74 0.61 0.78 -2.65 0.00 0.00 178.83 178.25 1sx4 h GLY 344 N 0.16 1.68 1.16 2.39 0.00 -1.23 -0.80 103.07 106.43 1sx4 h GLY 344 Ca 0.05 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1sx4 h GLY 344 CO 0.03 0.06 -0.13 -0.09 0.00 0.00 0.00 176.54 176.41 1sx4 h ARG 345 N 0.88 0.98 -0.81 4.80 9.65 -0.88 -1.75 114.38 127.25 1sx4 h ARG 345 Ca 0.53 -0.37 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1sx4 h ARG 345 Cb 0.66 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 1sx4 h ARG 345 CO -0.32 1.04 0.40 0.28 2.80 0.00 0.00 179.97 184.18 1sx4 h VAL 346 N 0.87 1.25 -0.26 0.20 2.07 -0.97 -0.34 116.25 119.06 1sx4 h VAL 346 Ca 0.13 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1sx4 h VAL 346 Cb 0.69 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sx4 h VAL 346 CO 0.05 0.29 -0.10 0.00 0.02 0.00 0.00 177.57 177.83 1sx4 h ALA 347 N 1.30 1.34 0.52 1.67 0.00 -0.91 0.44 119.26 123.62 1sx4 h ALA 347 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 347 Cb 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sx4 h ALA 347 CO -0.04 0.45 -0.25 1.96 0.00 0.00 0.00 179.25 181.37 1sx4 h GLN 348 N 0.41 -0.67 -0.72 0.00 4.20 -0.79 -3.15 115.11 114.39 1sx4 h GLN 348 Ca 0.08 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1sx4 h GLN 348 Cb 0.43 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1sx4 h GLN 348 CO 0.02 -0.37 0.43 0.82 -0.67 0.00 0.00 178.83 179.07 1sx4 h ILE 349 N -1.02 1.20 -0.35 2.54 2.04 -0.97 -2.51 117.51 118.45 1sx4 h ILE 349 Ca -0.07 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1sx4 h ILE 349 Cb 0.62 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1sx4 h ILE 349 CO 0.12 0.21 -0.50 -0.09 0.00 0.00 0.00 178.15 177.89 1sx4 h ARG 350 N 0.99 -0.39 -0.66 2.37 9.65 -0.19 -2.28 114.38 123.86 1sx4 h ARG 350 Ca 0.26 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.23 1sx4 h ARG 350 Cb -0.04 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 1sx4 h ARG 350 CO -0.05 -0.26 0.44 1.96 2.80 0.00 0.00 179.97 184.86 1sx4 h GLN 351 N -0.41 0.64 -0.10 0.20 4.20 -1.41 -1.58 115.11 116.66 1sx4 h GLN 351 Ca 0.09 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1sx4 h GLN 351 Cb 0.61 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1sx4 h GLN 351 CO -0.55 0.43 0.08 1.96 -0.67 0.00 0.00 178.83 180.07 1sx4 h GLN 352 N 0.66 0.00 0.00 1.46 4.20 -1.15 -0.20 115.11 120.08 1sx4 h GLN 352 Ca 0.29 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 1sx4 h GLN 352 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1sx4 h GLN 352 CO -0.09 0.00 -0.30 0.82 -0.67 0.00 0.00 178.83 178.59 1sx4 h ILE 353 N 0.00 1.05 -0.27 2.54 2.04 -1.14 -2.83 117.51 118.89 1sx4 h ILE 353 Ca 0.05 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 1sx4 h ILE 353 Cb 0.20 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1sx4 h ILE 353 CO -0.00 0.30 -0.37 -0.33 0.00 0.00 0.00 178.15 177.74 1sx4 h GLU 354 N 0.00 0.73 -1.26 2.37 4.39 -1.11 -3.00 114.58 116.71 1sx4 h GLU 354 Ca -0.00 -0.42 -0.26 0.00 0.34 0.00 0.00 59.36 59.01 1sx4 h GLU 354 Cb 0.60 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.15 1sx4 h GLU 354 CO 0.04 1.05 0.34 0.39 -1.16 0.00 0.00 179.01 179.66 1sx4 n GLU 355 N -4.20 1.65 -3.50 2.33 1.02 -1.09 -4.83 120.64 112.01 1sx4 n GLU 355 Ca -0.04 -1.40 -0.37 0.00 -0.02 0.00 0.00 57.16 55.33 1sx4 n GLU 355 Cb 0.52 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.58 3.57 -0.56 0.62 0.00 -1.11 -4.96 121.76 117.75 1sx4 s ALA 356 Ca 0.27 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1sx4 s ALA 356 Cb 0.22 -2.43 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 1sx4 s ALA 356 CO 0.02 0.07 0.45 0.25 0.00 0.00 0.00 175.76 176.56 1sx4 n THR 357 N 3.62 0.00 -4.43 0.00 -2.24 -1.26 -5.02 114.28 104.95 1sx4 n THR 357 Ca -0.11 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 1sx4 n THR 357 Cb 0.52 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.70 3.09 0.03 3.42 0.15 -1.26 -5.07 113.70 112.36 1sx4 s SER 358 Ca 0.05 -1.08 -0.13 0.00 0.70 0.00 0.00 55.95 55.49 1sx4 s SER 358 Cb 0.07 -0.22 -0.34 0.00 -1.71 0.00 0.00 66.02 63.82 1sx4 s SER 358 CO 0.33 -0.13 0.99 0.44 1.20 0.00 0.00 173.24 176.07 1sx4 h ASP 359 N 2.35 0.75 -0.14 5.45 3.32 -2.00 -3.08 116.42 123.07 1sx4 h ASP 359 Ca -0.40 -0.83 -0.05 0.00 0.02 0.00 0.00 57.03 55.78 1sx4 h ASP 359 Cb 1.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1sx4 h ASP 359 CO 0.63 1.66 -0.04 0.22 -1.72 0.00 0.00 179.24 179.99 1sx4 h TYR 360 N 0.13 0.42 0.00 4.55 3.20 -2.01 -1.65 116.97 121.61 1sx4 h TYR 360 Ca -0.25 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1sx4 h TYR 360 Cb 2.13 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.28 1sx4 h TYR 360 CO 0.11 0.45 0.00 -0.44 -1.64 0.00 0.00 178.16 176.64 1sx4 h ASP 361 N 0.39 0.00 0.02 -2.11 5.19 -1.99 -3.11 116.42 114.80 1sx4 h ASP 361 Ca 0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1sx4 h ASP 361 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1sx4 h ASP 361 CO 0.01 0.00 -0.01 -0.09 -3.12 0.00 0.00 179.24 176.03 1sx4 h ARG 362 N 0.00 -0.02 -1.01 3.56 2.43 -1.22 -3.24 114.38 114.88 1sx4 h ARG 362 Ca 0.00 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 1sx4 h ARG 362 Cb 0.53 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 1sx4 h ARG 362 CO 0.00 -0.02 0.61 1.05 -1.51 0.00 0.00 179.97 180.11 1sx4 h GLU 363 N -0.28 0.56 0.00 0.20 9.09 -1.58 0.39 114.58 122.97 1sx4 h GLU 363 Ca -0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 1sx4 h GLU 363 Cb 0.02 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1sx4 h GLU 363 CO 0.00 0.37 -0.14 0.87 0.05 0.00 0.00 179.01 180.16 1sx4 h LYS 364 N 0.58 0.00 0.02 1.06 1.79 -1.72 0.54 116.57 118.84 1sx4 h LYS 364 Ca 0.62 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.83 1sx4 h LYS 364 Cb 1.22 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 1sx4 h LYS 364 CO -0.42 0.14 -1.46 -0.07 -1.08 0.00 0.00 179.45 176.57 1sx4 h LEU 365 N 0.00 0.05 -0.09 2.94 3.38 -0.30 -3.29 115.31 118.00 1sx4 h LEU 365 Ca -0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1sx4 h LEU 365 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1sx4 h LEU 365 CO 0.02 1.07 -0.38 1.56 0.09 0.00 0.00 178.44 180.80 1sx4 h GLN 366 N 0.01 0.00 0.00 1.13 4.20 -0.80 -1.13 115.11 118.52 1sx4 h GLN 366 Ca -0.19 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1sx4 h GLN 366 Cb 1.93 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.71 1sx4 h GLN 366 CO 0.10 0.38 -0.22 0.93 -0.67 0.00 0.00 178.83 179.35 1sx4 h GLU 367 N 0.00 0.00 0.07 1.46 5.08 -1.04 -1.32 114.58 118.83 1sx4 h GLU 367 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1sx4 h GLU 367 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1sx4 h GLU 367 CO 0.05 0.22 -0.68 0.00 -1.00 0.00 0.00 179.01 177.61 1sx4 h ARG 368 N 0.00 0.15 -0.66 2.33 3.08 -1.57 -1.92 114.38 115.78 1sx4 h ARG 368 Ca -0.00 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 59.86 1sx4 h ARG 368 Cb 0.75 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1sx4 h ARG 368 CO 0.03 1.12 0.44 -0.39 -1.07 0.00 0.00 179.97 180.10 1sx4 h VAL 369 N -0.66 1.00 0.02 2.04 -1.51 -1.21 -2.79 116.25 113.13 1sx4 h VAL 369 Ca -0.14 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1sx4 h VAL 369 Cb 1.39 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1sx4 h VAL 369 CO 0.04 0.12 -0.01 0.00 -1.23 0.00 0.00 177.57 176.49 1sx4 h ALA 370 N 1.64 -0.83 -1.07 5.19 0.00 -1.28 -1.81 119.26 121.09 1sx4 h ALA 370 Ca 0.29 -0.01 0.39 0.00 0.00 0.00 0.00 54.91 55.58 1sx4 h ALA 370 Cb 0.29 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 1sx4 h ALA 370 CO -0.09 -0.83 0.62 0.87 0.00 0.00 0.00 179.25 179.81 1sx4 h LYS 371 N -0.03 0.12 0.00 0.00 1.57 -1.31 0.12 116.57 117.04 1sx4 h LYS 371 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 371 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1sx4 h LYS 371 CO 0.00 0.08 -0.25 1.25 -0.57 0.00 0.00 179.45 179.97 1sx4 h LEU 372 N 0.13 0.00 0.00 2.94 5.85 -1.47 -3.28 115.31 119.47 1sx4 h LEU 372 Ca 0.81 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 59.32 1sx4 h LEU 372 Cb 2.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.16 1sx4 h LEU 372 CO -0.64 0.73 -0.10 0.00 -0.34 0.00 0.00 178.44 178.08 1sx4 h ALA 373 N -0.82 0.94 -0.11 1.25 0.00 -1.27 -3.36 119.26 115.89 1sx4 h ALA 373 Ca -0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1sx4 h ALA 373 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 373 CO -0.02 0.12 -0.57 0.78 0.00 0.00 0.00 179.25 179.57 1sx4 h GLY 374 N 3.90 0.39 0.00 0.00 0.00 -0.89 -3.49 103.07 102.98 1sx4 h GLY 374 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1sx4 h GLY 374 CO 0.01 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1sx4 n GLY 375 N 0.22 -1.44 2.99 4.60 0.00 -1.24 -4.93 105.19 105.40 1sx4 n GLY 375 Ca -0.03 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.34 1.10 -0.30 1.61 1.01 -0.55 -4.17 120.40 117.75 1sx4 s VAL 376 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1sx4 s VAL 376 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1sx4 s VAL 376 CO 0.00 0.36 0.42 0.00 0.00 0.00 0.00 175.10 175.88 1sx4 s ALA 377 N 0.97 3.53 -0.18 5.51 0.00 0.83 -2.06 121.76 130.36 1sx4 s ALA 377 Ca -0.09 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1sx4 s ALA 377 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1sx4 s ALA 377 CO 0.00 -0.89 0.12 0.14 0.00 0.00 0.00 175.76 175.13 1sx4 s VAL 378 N 2.16 5.30 -0.23 0.00 -7.23 0.61 -1.21 120.40 119.80 1sx4 s VAL 378 Ca 0.16 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1sx4 s VAL 378 Cb -0.16 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1sx4 s VAL 378 CO 0.11 0.48 0.13 -0.63 -0.31 0.00 0.00 175.10 174.88 1sx4 s ILE 379 N 0.11 5.09 -0.27 -0.62 1.01 0.10 -1.51 121.20 125.12 1sx4 s ILE 379 Ca 0.08 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1sx4 s ILE 379 Cb -0.11 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 1sx4 s ILE 379 CO -0.01 0.36 0.20 -0.54 0.00 0.00 0.00 174.94 174.96 1sx4 s LYS 380 N 1.05 3.98 -0.40 2.79 1.02 0.20 -0.93 119.74 127.46 1sx4 s LYS 380 Ca 0.06 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 55.54 1sx4 s LYS 380 Cb -0.14 -3.63 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1sx4 s LYS 380 CO 0.04 -0.13 0.85 0.08 -0.92 0.00 0.00 175.35 175.27 1sx4 s VAL 381 N 1.63 4.62 0.23 3.17 1.01 -0.93 -2.28 120.40 127.85 1sx4 s VAL 381 Ca 0.08 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1sx4 s VAL 381 Cb -0.15 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1sx4 s VAL 381 CO 0.09 -0.60 0.51 -0.83 0.00 0.00 0.00 175.10 174.28 1sx4 s GLY 382 N 2.00 2.13 0.21 4.51 0.00 -1.25 -1.52 107.32 113.40 1sx4 s GLY 382 Ca 0.34 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.40 1sx4 s GLY 382 CO 0.20 -0.32 0.96 0.00 0.00 0.00 0.00 173.10 173.94 1sx4 s ALA 383 N -1.87 -1.46 -0.11 3.20 0.00 -1.23 -4.71 121.76 115.57 1sx4 s ALA 383 Ca 0.45 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 1sx4 s ALA 383 Cb -0.11 0.71 -0.17 0.00 0.00 0.00 0.00 23.12 23.54 1sx4 s ALA 383 CO 0.25 -1.04 0.59 0.00 0.00 0.00 0.00 175.76 175.56 1sx4 h ALA 384 N 2.00 -0.03 -2.30 0.00 0.00 -1.87 -3.38 119.26 113.67 1sx4 h ALA 384 Ca -0.27 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 53.75 1sx4 h ALA 384 Cb 1.23 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1sx4 h ALA 384 CO 0.32 -0.05 -0.68 -0.08 0.00 0.00 0.00 179.25 178.76 1sx4 s THR 385 N -2.28 3.17 0.21 0.00 -1.32 -1.26 -5.04 115.64 109.12 1sx4 s THR 385 Ca -0.13 -2.01 -0.09 0.00 -1.21 0.00 0.00 61.69 58.25 1sx4 s THR 385 Cb -0.02 -2.68 0.14 0.00 -1.51 0.00 0.00 72.50 68.44 1sx4 s THR 385 CO 0.47 -0.35 1.76 -0.08 -2.21 0.00 0.00 174.62 174.21 1sx4 h GLU 386 N 2.11 0.45 0.65 7.08 4.81 -1.99 -0.54 114.58 127.15 1sx4 h GLU 386 Ca -0.43 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1sx4 h GLU 386 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1sx4 h GLU 386 CO 0.59 0.30 -0.37 0.28 -0.73 0.00 0.00 179.01 179.08 1sx4 h VAL 387 N 0.47 0.00 -0.98 0.32 2.07 -1.98 -2.10 116.25 114.06 1sx4 h VAL 387 Ca 0.31 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.01 1sx4 h VAL 387 Cb 0.35 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.94 1sx4 h VAL 387 CO -0.28 0.00 -0.29 1.21 0.02 0.00 0.00 177.57 178.23 1sx4 n GLU 388 N -4.75 -0.13 0.50 1.57 2.13 -1.15 -0.88 120.64 117.93 1sx4 n GLU 388 Ca -0.12 1.52 -0.20 0.00 0.66 0.00 0.00 57.16 59.02 1sx4 n GLU 388 Cb 0.39 -2.26 -0.10 0.00 0.27 0.00 0.00 31.44 29.74 1sx4 n GLU 388 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1sx4 h MET 389 N 0.00 -1.26 0.00 5.31 4.05 -0.83 1.19 114.93 123.39 1sx4 h MET 389 Ca 0.43 0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 1sx4 h MET 389 Cb 0.67 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1sx4 h MET 389 CO -1.00 -0.84 0.00 1.63 0.23 0.00 0.00 176.91 176.94 1sx4 n LYS 390 N -5.61 0.57 -0.08 0.39 5.02 -0.81 0.62 118.16 118.25 1sx4 n LYS 390 Ca -0.16 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.02 1sx4 n LYS 390 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.37 1.97 4.22 -0.14 -3.30 114.58 116.96 1sx4 h GLU 391 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1sx4 h GLU 391 Cb 0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1sx4 h GLU 391 CO 0.00 0.62 -0.05 -0.22 -2.18 0.00 0.00 179.01 177.18 1sx4 h LYS 392 N -1.00 0.04 -1.05 1.92 3.64 0.19 0.12 116.57 120.43 1sx4 h LYS 392 Ca -0.17 -0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.49 1sx4 h LYS 392 Cb 0.91 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.63 1sx4 h LYS 392 CO -0.10 0.03 0.68 -0.22 -2.27 0.00 0.00 179.45 177.57 1sx4 h LYS 393 N 0.04 0.35 -0.22 1.90 3.64 -0.03 -0.32 116.57 121.92 1sx4 h LYS 393 Ca 0.18 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1sx4 h LYS 393 Cb 0.27 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1sx4 h LYS 393 CO -0.35 0.23 -0.16 0.00 -2.27 0.00 0.00 179.45 176.90 1sx4 h ALA 394 N 1.61 0.32 0.00 5.00 0.00 -0.85 -2.95 119.26 122.39 1sx4 h ALA 394 Ca 0.60 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 394 Cb 1.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1sx4 h ALA 394 CO -0.28 0.22 -0.48 0.00 0.00 0.00 0.00 179.25 178.71 1sx4 h ARG 395 N 0.20 0.00 -0.12 0.00 3.08 -0.52 -1.68 114.38 115.35 1sx4 h ARG 395 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1sx4 h ARG 395 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1sx4 h ARG 395 CO 0.04 0.48 0.06 0.28 -1.07 0.00 0.00 179.97 179.76 1sx4 h VAL 396 N 0.00 1.10 -0.11 2.04 2.07 -1.18 0.11 116.25 120.27 1sx4 h VAL 396 Ca -0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1sx4 h VAL 396 Cb 0.90 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1sx4 h VAL 396 CO 0.06 0.09 -0.04 -0.33 0.02 0.00 0.00 177.57 177.37 1sx4 h GLU 397 N 0.08 0.16 -0.29 1.57 5.08 -1.32 0.03 114.58 119.88 1sx4 h GLU 397 Ca 0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1sx4 h GLU 397 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sx4 h GLU 397 CO -0.01 0.22 0.07 -0.44 -1.00 0.00 0.00 179.01 177.85 1sx4 h ASP 398 N 0.16 0.45 0.15 1.42 3.32 -0.41 -2.71 116.42 118.80 1sx4 h ASP 398 Ca 0.04 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1sx4 h ASP 398 Cb 0.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1sx4 h ASP 398 CO 0.01 0.56 -0.07 0.00 -1.72 0.00 0.00 179.24 178.02 1sx4 h ALA 399 N 0.90 -0.20 -0.99 3.45 0.00 -0.51 -2.15 119.26 119.76 1sx4 h ALA 399 Ca 0.09 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1sx4 h ALA 399 Cb 0.29 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 1sx4 h ALA 399 CO 0.00 -0.38 -0.40 1.25 0.00 0.00 0.00 179.25 179.72 1sx4 h LEU 400 N -0.68 -1.49 -0.24 0.00 5.85 -1.07 0.31 115.31 118.01 1sx4 h LEU 400 Ca -0.02 0.31 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1sx4 h LEU 400 Cb 0.50 0.77 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1sx4 h LEU 400 CO 0.03 -0.29 -0.34 0.45 -0.34 0.00 0.00 178.44 177.96 1sx4 h HIS 401 N -0.00 -0.95 0.00 1.25 3.86 -1.28 -0.06 115.15 117.97 1sx4 h HIS 401 Ca 0.33 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1sx4 h HIS 401 Cb 0.58 0.45 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1sx4 h HIS 401 CO -0.88 -0.40 -0.18 0.00 0.86 0.00 0.00 177.93 177.33 1sx4 h ALA 402 N 0.50 1.34 0.19 2.45 0.00 0.10 -1.94 119.26 121.90 1sx4 h ALA 402 Ca 0.12 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1sx4 h ALA 402 Cb 0.55 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1sx4 h ALA 402 CO -0.43 0.22 -1.33 1.15 0.00 0.00 0.00 179.25 178.86 1sx4 h THR 403 N 0.00 1.24 -0.89 0.00 2.02 0.12 0.24 112.91 115.64 1sx4 h THR 403 Ca -0.00 -2.57 0.08 0.00 0.77 0.00 0.00 66.41 64.69 1sx4 h THR 403 Cb 0.41 2.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.75 1sx4 h THR 403 CO 0.02 0.78 0.58 0.03 0.37 0.00 0.00 175.52 177.30 1sx4 h ARG 404 N -0.08 0.93 -0.12 6.66 3.08 -0.86 -0.03 114.38 123.96 1sx4 h ARG 404 Ca -0.25 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1sx4 h ARG 404 Cb 1.94 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.78 1sx4 h ARG 404 CO 0.19 0.62 -0.10 0.00 -1.07 0.00 0.00 179.97 179.61 1sx4 h ALA 405 N 1.53 0.17 -0.97 0.04 0.00 -1.14 -2.94 119.26 115.95 1sx4 h ALA 405 Ca 0.40 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 405 Cb 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1sx4 h ALA 405 CO -0.16 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.73 1sx4 h ALA 406 N 0.61 1.23 0.37 0.00 0.00 0.11 -2.51 119.26 119.08 1sx4 h ALA 406 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 406 Cb 0.60 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1sx4 h ALA 406 CO 0.03 0.63 -0.34 0.28 0.00 0.00 0.00 179.25 179.84 1sx4 h VAL 407 N 1.32 0.30 -0.29 0.00 2.07 -0.98 0.60 116.25 119.27 1sx4 h VAL 407 Ca 0.36 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.93 1sx4 h VAL 407 Cb -0.15 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1sx4 h VAL 407 CO -0.08 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.16 1sx4 h GLU 408 N -0.73 0.06 0.00 1.57 5.08 -1.31 -3.37 114.58 115.87 1sx4 h GLU 408 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sx4 h GLU 408 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1sx4 h GLU 408 CO -0.04 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1sx4 n GLU 409 N -5.19 0.49 0.00 2.33 1.02 -0.97 -5.06 120.64 113.26 1sx4 n GLU 409 Ca -0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1sx4 n GLU 409 Cb 0.16 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.12 -0.54 3.60 0.62 0.00 0.21 -4.44 105.19 104.52 1sx4 n GLY 410 Ca 0.00 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.03 3.00 0.34 1.61 -7.23 -0.31 0.26 120.40 117.04 1sx4 s VAL 411 Ca 0.00 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1sx4 s VAL 411 Cb 0.00 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1sx4 s VAL 411 CO 0.00 -0.33 0.37 0.68 -0.31 0.00 0.00 175.10 175.51 1sx4 s VAL 412 N -2.42 0.00 -0.08 1.32 -7.23 0.12 -1.91 120.40 110.19 1sx4 s VAL 412 Ca 0.32 -1.83 -0.34 0.00 -1.81 0.00 0.00 61.98 58.32 1sx4 s VAL 412 Cb -0.04 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 34.21 1sx4 s VAL 412 CO 0.19 0.00 1.90 0.00 -0.31 0.00 0.00 175.10 176.88 1sx4 n ALA 413 N -0.61 0.97 1.54 1.32 0.00 -1.26 -1.23 120.51 121.23 1sx4 n ALA 413 Ca 0.05 0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.89 1sx4 n ALA 413 Cb 0.62 -2.53 0.58 0.00 0.00 0.00 0.00 19.45 18.12 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 4.48 -0.27 1.60 0.00 0.00 -0.16 -2.01 105.19 108.83 1sx4 n GLY 414 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.17 2.95 1.72 -0.02 0.00 -1.26 -4.65 105.19 105.09 1sx4 n GLY 415 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1sx4 n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 416 N 0.06 2.63 0.28 -0.02 0.00 -1.26 -4.38 105.19 102.51 1sx4 n GLY 416 Ca 0.27 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.34 -0.13 1.61 0.31 -1.26 0.10 118.33 118.62 1sx4 n VAL 417 Ca 0.00 1.75 -0.04 0.00 -0.01 0.00 0.00 64.34 66.03 1sx4 n VAL 417 Cb 0.00 -2.38 0.02 0.00 -0.91 0.00 0.00 33.84 30.57 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 1.37 0.23 -0.27 3.52 0.00 -1.77 0.87 119.26 123.22 1sx4 h ALA 418 Ca 0.33 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1sx4 h ALA 418 Cb 0.52 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 418 CO -0.77 -0.48 0.16 -0.07 0.00 0.00 0.00 179.25 178.09 1sx4 h LEU 419 N -0.04 0.32 -1.77 0.00 -0.00 -0.63 -0.90 115.31 112.30 1sx4 h LEU 419 Ca 0.21 -0.05 0.13 0.00 -0.00 0.00 0.00 57.88 58.17 1sx4 h LEU 419 Cb 0.36 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 1sx4 h LEU 419 CO -0.46 0.28 0.41 0.40 -0.00 0.00 0.00 178.44 179.07 1sx4 h ILE 420 N 0.34 0.81 0.10 1.22 1.08 -0.50 -1.53 117.51 119.03 1sx4 h ILE 420 Ca 0.10 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1sx4 h ILE 420 Cb 0.02 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1sx4 h ILE 420 CO -0.02 0.04 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.35 1sx4 h ARG 421 N 0.24 -0.13 -0.62 2.37 9.65 -0.09 -2.93 114.38 122.87 1sx4 h ARG 421 Ca 0.29 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.19 1sx4 h ARG 421 Cb 0.80 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1sx4 h ARG 421 CO -0.06 0.28 0.41 -0.39 2.80 0.00 0.00 179.97 183.01 1sx4 h VAL 422 N -0.95 1.13 -0.72 0.20 -1.51 -0.63 -0.87 116.25 112.90 1sx4 h VAL 422 Ca -0.01 -0.28 -0.06 0.00 -1.23 0.00 0.00 66.70 65.12 1sx4 h VAL 422 Cb 0.47 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 29.86 1sx4 h VAL 422 CO 0.02 0.15 0.20 0.00 -1.23 0.00 0.00 177.57 176.71 1sx4 h ALA 423 N 1.62 0.94 0.00 5.19 0.00 -1.35 -2.67 119.26 123.00 1sx4 h ALA 423 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 423 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1sx4 h ALA 423 CO -0.06 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.50 1sx4 h SER 424 N 1.07 0.00 0.48 0.00 4.64 -0.99 -3.16 113.55 115.59 1sx4 h SER 424 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1sx4 h SER 424 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1sx4 h SER 424 CO -0.00 0.00 -0.23 0.11 -0.87 0.00 0.00 176.83 175.84 1sx4 h LYS 425 N 0.00 -0.62 -2.42 4.77 1.57 -1.06 -3.35 116.57 115.47 1sx4 h LYS 425 Ca 0.00 0.04 -0.70 0.00 -1.87 0.00 0.00 60.65 58.12 1sx4 h LYS 425 Cb 0.53 0.14 -0.16 0.00 0.08 0.00 0.00 32.23 32.82 1sx4 h LYS 425 CO 0.00 -0.41 1.78 1.47 -0.57 0.00 0.00 179.45 181.72 1sx4 n LEU 426 N -5.16 7.62 -1.55 2.94 -0.00 -1.07 -4.39 117.00 115.38 1sx4 n LEU 426 Ca -0.08 -4.77 0.08 0.00 -0.00 0.00 0.00 56.01 51.24 1sx4 n LEU 426 Cb 0.25 -1.30 0.34 0.00 -0.00 0.00 0.00 43.42 42.71 1sx4 n LEU 426 CO 0.19 1.98 0.79 0.00 -0.00 0.00 0.00 177.39 180.35 1sx4 n ALA 427 N 1.26 3.24 0.42 1.47 0.00 -1.24 -3.48 120.51 122.18 1sx4 n ALA 427 Ca 0.58 -1.51 0.09 0.00 0.00 0.00 0.00 53.44 52.60 1sx4 n ALA 427 Cb 0.31 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 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 0.90 0.79 -4.47 0.00 8.00 -1.26 -5.06 116.55 115.44 1sx4 n ASP 428 Ca 0.24 -0.46 -0.53 0.00 0.71 0.00 0.00 54.79 54.75 1sx4 n ASP 428 Cb 0.90 1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 43.37 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 -1.79 -0.22 -4.54 0.64 7.94 -1.23 -4.97 117.00 112.83 1sx4 n LEU 429 Ca -0.00 1.15 -0.25 0.00 -1.11 0.00 0.00 56.01 55.79 1sx4 n LEU 429 Cb 0.38 -0.99 -0.11 0.00 0.53 0.00 0.00 43.42 43.24 1sx4 n LEU 429 CO 0.38 -2.23 -0.29 -0.13 -1.11 0.00 0.00 177.39 174.01 1sx4 s ARG 430 N -0.48 1.82 0.00 1.96 1.81 -1.26 -4.99 118.95 117.81 1sx4 s ARG 430 Ca 0.77 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 1sx4 s ARG 430 Cb -1.06 -1.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.10 1sx4 s ARG 430 CO 0.56 -0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.51 1sx4 n GLY 431 N -0.83 7.07 0.36 -3.53 0.00 -1.26 -4.99 105.19 102.00 1sx4 n GLY 431 Ca -0.04 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.40 -1.69 1.61 3.00 -1.26 -4.86 117.38 114.58 1sx4 n GLN 432 Ca 0.00 0.16 -0.45 0.00 -0.01 0.00 0.00 57.00 56.71 1sx4 n GLN 432 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 30.24 29.02 1sx4 n GLN 432 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1sx4 n ASN 433 N -4.11 3.30 0.11 1.08 4.05 -1.26 -4.82 115.26 113.60 1sx4 n ASN 433 Ca -0.18 1.09 0.07 0.00 0.45 0.00 0.00 54.58 56.00 1sx4 n ASN 433 Cb 0.49 -1.47 0.35 0.00 1.23 0.00 0.00 39.78 40.38 1sx4 n ASN 433 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1sx4 n GLU 434 N 3.28 0.08 0.07 1.20 0.28 -1.26 0.12 120.64 124.41 1sx4 n GLU 434 Ca 0.15 0.56 -0.04 0.00 -0.16 0.00 0.00 57.16 57.68 1sx4 n GLU 434 Cb 0.31 -1.85 0.18 0.00 1.43 0.00 0.00 31.44 31.51 1sx4 n GLU 434 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1sx4 h ASP 435 N 0.00 0.34 0.95 -1.84 3.32 -1.96 -3.01 116.42 114.22 1sx4 h ASP 435 Ca 0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 1sx4 h ASP 435 Cb 0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1sx4 h ASP 435 CO 0.00 0.74 -0.63 1.56 -1.72 0.00 0.00 179.24 179.20 1sx4 h GLN 436 N 0.26 0.00 -0.08 3.56 4.20 0.68 -2.47 115.11 121.26 1sx4 h GLN 436 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1sx4 h GLN 436 Cb 0.89 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1sx4 h GLN 436 CO 0.07 0.63 0.04 -0.91 -0.67 0.00 0.00 178.83 177.99 1sx4 h ASN 437 N 0.00 0.09 -0.75 1.46 2.35 -1.42 0.57 115.58 117.88 1sx4 h ASN 437 Ca -0.01 -0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1sx4 h ASN 437 Cb 1.27 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 1sx4 h ASN 437 CO 0.08 0.13 0.43 0.58 -1.65 0.00 0.00 177.43 177.01 1sx4 h VAL 438 N 0.05 0.97 -0.03 2.81 2.07 -1.38 0.25 116.25 120.98 1sx4 h VAL 438 Ca 0.03 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1sx4 h VAL 438 Cb 0.06 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1sx4 h VAL 438 CO -0.00 0.14 -0.15 1.23 0.02 0.00 0.00 177.57 178.81 1sx4 h GLY 439 N 0.77 -0.16 0.83 2.17 0.00 -0.89 0.51 103.07 106.29 1sx4 h GLY 439 Ca 0.34 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1sx4 h GLY 439 CO -0.20 -0.15 0.12 -2.22 0.00 0.00 0.00 176.54 174.10 1sx4 h ILE 440 N -0.23 0.96 0.28 2.60 2.04 0.17 -1.70 117.51 121.63 1sx4 h ILE 440 Ca 0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1sx4 h ILE 440 Cb 0.32 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1sx4 h ILE 440 CO -0.17 0.05 -0.13 0.11 0.00 0.00 0.00 178.15 178.00 1sx4 h LYS 441 N 0.26 -0.36 -0.99 2.37 1.57 -0.06 0.15 116.57 119.51 1sx4 h LYS 441 Ca 0.12 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 1sx4 h LYS 441 Cb 0.06 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.29 1sx4 h LYS 441 CO -0.10 -0.17 -0.39 0.28 -0.57 0.00 0.00 179.45 178.50 1sx4 n VAL 442 N -5.21 -0.52 -0.16 0.50 0.31 0.17 -0.41 118.33 113.01 1sx4 n VAL 442 Ca -0.10 2.32 -0.09 0.00 -0.01 0.00 0.00 64.34 66.47 1sx4 n VAL 442 Cb 0.20 -3.07 0.00 0.00 -0.91 0.00 0.00 33.84 30.07 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 1.37 0.60 0.32 3.52 0.00 -0.53 -2.03 119.26 122.50 1sx4 h ALA 443 Ca 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sx4 h ALA 443 Cb 0.59 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sx4 h ALA 443 CO -0.98 0.20 -0.17 -0.07 0.00 0.00 0.00 179.25 178.22 1sx4 h LEU 444 N 0.60 -0.42 -1.22 0.00 3.38 0.13 -2.62 115.31 115.16 1sx4 h LEU 444 Ca 0.15 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1sx4 h LEU 444 Cb 0.19 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sx4 h LEU 444 CO -0.01 -0.29 0.00 -0.09 0.09 0.00 0.00 178.44 178.14 1sx4 h ARG 445 N -0.46 0.00 0.00 1.13 2.43 -0.56 0.12 114.38 117.04 1sx4 h ARG 445 Ca -0.04 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1sx4 h ARG 445 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1sx4 h ARG 445 CO 0.05 0.00 -0.27 0.00 -1.51 0.00 0.00 179.97 178.24 1sx4 h ALA 446 N 2.11 0.98 0.00 2.80 0.00 -1.00 -3.07 119.26 121.08 1sx4 h ALA 446 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1sx4 h ALA 446 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sx4 h ALA 446 CO 0.00 0.33 0.00 0.52 0.00 0.00 0.00 179.25 180.10 1sx4 h MET 447 N 0.00 0.00 0.00 0.00 2.86 -0.53 -2.54 114.93 114.72 1sx4 h MET 447 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sx4 h MET 447 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1sx4 h MET 447 CO 0.03 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.39 1sx4 n GLU 448 N -2.85 0.12 0.17 1.72 1.02 -1.16 -4.04 120.64 115.62 1sx4 n GLU 448 Ca 0.03 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 1sx4 n GLU 448 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1sx4 n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 449 N 3.08 -0.41 -0.15 0.62 0.00 -1.62 0.23 119.26 121.01 1sx4 h ALA 449 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 449 Cb 0.43 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1sx4 h ALA 449 CO 0.00 -0.75 -0.01 -1.35 0.00 0.00 0.00 179.25 177.14 1sx4 h PRO 450 N -0.43 0.03 0.40 0.00 0.11 -1.81 0.20 132.00 130.50 1sx4 h PRO 450 Ca -0.02 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1sx4 h PRO 450 Cb 0.37 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1sx4 h PRO 450 CO 0.01 0.02 -0.28 1.25 -0.21 0.00 0.00 178.00 178.79 1sx4 h LEU 451 N 0.03 -0.72 -1.01 2.35 5.85 -1.70 0.17 115.31 120.28 1sx4 h LEU 451 Ca 0.07 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.08 1sx4 h LEU 451 Cb 0.09 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 1sx4 h LEU 451 CO -0.13 -0.43 0.60 0.03 -0.34 0.00 0.00 178.44 178.17 1sx4 h ARG 452 N -0.67 0.59 0.15 1.25 3.08 0.32 -0.38 114.38 118.73 1sx4 h ARG 452 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1sx4 h ARG 452 Cb 0.57 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1sx4 h ARG 452 CO 0.02 0.39 -0.07 0.37 -1.07 0.00 0.00 179.97 179.61 1sx4 h GLN 453 N 0.61 -0.19 -0.11 0.04 5.75 0.02 -1.28 115.11 119.95 1sx4 h GLN 453 Ca 0.63 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 59.18 1sx4 h GLN 453 Cb 1.18 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.71 1sx4 h GLN 453 CO -0.46 0.10 -0.52 0.82 -2.65 0.00 0.00 178.83 176.12 1sx4 h ILE 454 N -0.49 0.03 -0.79 2.39 1.08 0.10 -0.57 117.51 119.26 1sx4 h ILE 454 Ca -0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 1sx4 h ILE 454 Cb 0.38 0.03 -0.15 0.00 -3.07 0.00 0.00 36.82 34.01 1sx4 h ILE 454 CO 0.03 0.00 -0.20 0.58 -0.69 0.00 0.00 178.15 177.88 1sx4 h VAL 455 N -0.59 0.21 0.08 1.67 2.07 -1.46 -0.46 116.25 117.77 1sx4 h VAL 455 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1sx4 h VAL 455 Cb 0.68 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1sx4 h VAL 455 CO -0.42 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.39 1sx4 h LEU 456 N -0.00 -0.09 -0.95 2.57 5.85 0.08 -1.87 115.31 120.90 1sx4 h LEU 456 Ca 0.38 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.29 1sx4 h LEU 456 Cb 0.57 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 1sx4 h LEU 456 CO -0.81 -0.06 0.54 0.78 -0.34 0.00 0.00 178.44 178.54 1sx4 h ASN 457 N -0.10 0.66 0.56 1.25 2.35 -0.64 0.52 115.58 120.18 1sx4 h ASN 457 Ca -0.01 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1sx4 h ASN 457 Cb 0.08 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1sx4 h ASN 457 CO 0.02 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 176.02 1sx4 n GLY 459 N -0.44 0.64 3.96 0.00 0.00 0.18 -5.05 105.19 104.48 1sx4 n GLY 459 Ca -0.00 0.00 -0.26 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 -0.27 1.60 -0.13 1.61 0.41 -0.87 -5.02 118.70 116.03 1sx4 s GLU 460 Ca 0.00 -0.67 -0.24 0.00 -0.41 0.00 0.00 54.97 53.65 1sx4 s GLU 460 Cb 0.00 -2.17 -0.03 0.00 -1.78 0.00 0.00 34.13 30.16 1sx4 s GLU 460 CO 0.00 -1.60 0.75 -1.21 -0.49 0.00 0.00 175.26 172.71 1sx4 s GLU 461 N -5.35 4.34 -0.02 1.61 0.41 -1.26 -3.86 118.70 114.58 1sx4 s GLU 461 Ca 0.66 0.90 -0.00 0.00 -0.41 0.00 0.00 54.97 56.12 1sx4 s GLU 461 Cb -0.07 -3.52 -0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1sx4 s GLU 461 CO 0.46 -0.16 -0.00 -1.35 -0.49 0.00 0.00 175.26 173.73 1sx4 h PRO 462 N 7.13 0.00 -0.08 0.39 0.11 -1.89 -2.98 132.00 134.68 1sx4 h PRO 462 Ca -0.34 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.78 1sx4 h PRO 462 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1sx4 h PRO 462 CO 0.79 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.41 1sx4 n SER 463 N -2.49 -0.07 0.28 -2.05 3.41 -1.26 -0.08 113.62 111.37 1sx4 n SER 463 Ca -0.00 0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 1sx4 n SER 463 Cb 0.00 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.35 -0.77 -3.33 2.07 -2.00 0.14 116.25 112.71 1sx4 h VAL 464 Ca 0.02 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1sx4 h VAL 464 Cb 0.05 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1sx4 h VAL 464 CO -0.08 0.05 0.51 0.58 0.02 0.00 0.00 177.57 178.64 1sx4 h VAL 465 N -0.98 1.09 0.70 2.57 2.07 -1.00 -2.15 116.25 118.54 1sx4 h VAL 465 Ca -0.07 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1sx4 h VAL 465 Cb 0.63 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1sx4 h VAL 465 CO 0.12 0.16 -0.33 0.00 0.02 0.00 0.00 177.57 177.54 1sx4 h ALA 466 N 1.56 -0.94 -0.72 1.67 0.00 -0.20 -0.49 119.26 120.15 1sx4 h ALA 466 Ca 0.32 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1sx4 h ALA 466 Cb 0.12 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.14 1sx4 h ALA 466 CO -0.10 -0.96 -0.09 -0.97 0.00 0.00 0.00 179.25 177.12 1sx4 h ASN 467 N -1.06 -0.51 -0.29 0.00 -1.24 -0.52 -0.52 115.58 111.43 1sx4 h ASN 467 Ca -0.10 0.20 -0.14 0.00 0.71 0.00 0.00 56.30 56.98 1sx4 h ASN 467 Cb 0.75 0.39 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 1sx4 h ASN 467 CO 0.16 -0.21 -0.33 0.71 -1.29 0.00 0.00 177.43 176.47 1sx4 h THR 468 N 0.04 1.28 -0.64 -3.57 1.35 -1.27 -1.46 112.91 108.65 1sx4 h THR 468 Ca 0.37 -1.48 0.07 0.00 -0.55 0.00 0.00 66.41 64.81 1sx4 h THR 468 Cb 0.60 1.34 -0.06 0.00 -1.73 0.00 0.00 68.15 68.31 1sx4 h THR 468 CO -0.69 0.49 0.33 0.58 -0.25 0.00 0.00 175.52 175.98 1sx4 h VAL 469 N 0.68 0.92 -0.55 6.82 2.07 0.05 -1.80 116.25 124.45 1sx4 h VAL 469 Ca 0.07 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1sx4 h VAL 469 Cb 0.88 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1sx4 h VAL 469 CO 0.08 0.11 0.37 0.11 0.02 0.00 0.00 177.57 178.26 1sx4 h LYS 470 N 0.61 0.56 0.00 1.57 1.57 -0.76 -2.30 116.57 117.82 1sx4 h LYS 470 Ca 0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1sx4 h LYS 470 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1sx4 h LYS 470 CO -0.20 0.37 0.00 0.78 -0.57 0.00 0.00 179.45 179.83 1sx4 h GLY 471 N 0.58 0.00 0.00 3.86 0.00 -0.36 -3.44 103.07 103.71 1sx4 h GLY 471 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1sx4 h GLY 471 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1sx4 n GLY 472 N -0.85 1.31 3.28 4.60 0.00 -0.87 -5.12 105.19 107.54 1sx4 n GLY 472 Ca -0.02 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 1sx4 n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 473 N -1.00 0.12 1.01 1.61 1.01 -1.26 -5.05 116.67 113.11 1sx4 s ASP 473 Ca 0.00 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1sx4 s ASP 473 Cb 0.00 0.41 0.00 0.00 1.01 0.00 0.00 42.92 44.34 1sx4 s ASP 473 CO 0.00 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.11 1sx4 n GLY 474 N -0.24 3.10 2.08 0.21 0.00 -1.26 -1.61 105.19 107.47 1sx4 n GLY 474 Ca -0.02 -0.03 -0.21 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 3.12 3.59 -4.74 1.61 3.02 -1.26 -4.93 115.26 115.67 1sx4 n ASN 475 Ca 0.00 -3.63 -0.41 0.00 -0.03 0.00 0.00 54.58 50.51 1sx4 n ASN 475 Cb 0.00 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.32 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 -3.29 3.63 0.01 3.10 5.04 -0.63 0.12 117.35 125.33 1sx4 s TYR 476 Ca 0.55 1.65 -0.01 0.00 -2.44 0.00 0.00 57.07 56.82 1sx4 s TYR 476 Cb 0.47 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 39.53 1sx4 s TYR 476 CO 0.09 -0.49 0.03 0.41 -1.34 0.00 0.00 175.55 174.25 1sx4 n GLY 477 N 1.85 1.70 3.07 8.97 0.00 0.12 -4.77 105.19 116.12 1sx4 n GLY 477 Ca 0.02 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 -7.67 2.01 -0.72 1.61 5.04 -1.26 -2.05 117.35 114.31 1sx4 s TYR 478 Ca 0.01 -0.93 -0.14 0.00 -2.44 0.00 0.00 57.07 53.56 1sx4 s TYR 478 Cb -0.00 -1.44 0.19 0.00 0.35 0.00 0.00 41.96 41.06 1sx4 s TYR 478 CO 0.00 -0.47 0.66 1.21 -1.34 0.00 0.00 175.55 175.61 1sx4 s ASN 479 N 0.93 6.49 0.55 4.32 3.84 -0.68 -4.80 114.94 125.59 1sx4 s ASN 479 Ca -0.08 -2.40 0.39 0.00 0.21 0.00 0.00 52.86 50.98 1sx4 s ASN 479 Cb -0.15 -2.19 1.58 0.00 -0.55 0.00 0.00 41.25 39.94 1sx4 s ASN 479 CO -0.01 -0.65 1.75 0.00 -2.79 0.00 0.00 177.10 175.39 1sx4 h ALA 480 N 8.10 3.26 -0.24 1.71 0.00 -1.95 0.22 119.26 130.36 1sx4 h ALA 480 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1sx4 h ALA 480 Cb 1.06 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1sx4 h ALA 480 CO 0.84 -1.66 -0.36 0.00 0.00 0.00 0.00 179.25 178.06 1sx4 h ALA 481 N 1.30 0.92 -0.01 0.00 0.00 -1.95 -3.24 119.26 116.28 1sx4 h ALA 481 Ca 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sx4 h ALA 481 Cb 2.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.26 1sx4 h ALA 481 CO -0.01 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.12 1sx4 n THR 482 N -4.05 0.70 -3.05 0.00 -2.24 -0.56 -4.99 114.28 100.09 1sx4 n THR 482 Ca -0.01 -0.85 -0.18 0.00 -2.27 0.00 0.00 64.05 60.74 1sx4 n THR 482 Cb 0.49 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.32 -2.96 -5.05 -0.78 1.02 0.67 -4.97 120.64 108.24 1sx4 n GLU 483 Ca 0.00 0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 57.27 1sx4 n GLU 483 Cb 0.18 -5.10 -0.14 0.00 -0.02 0.00 0.00 31.44 26.35 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 -5.67 2.48 0.59 3.49 2.02 -1.18 -4.92 118.70 115.53 1sx4 s GLU 484 Ca 0.26 -0.79 -0.09 0.00 0.02 0.00 0.00 54.97 54.37 1sx4 s GLU 484 Cb -0.14 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 1sx4 s GLU 484 CO 0.32 0.53 0.96 0.71 0.02 0.00 0.00 175.26 177.81 1sx4 s TYR 485 N -0.52 3.53 -3.24 1.61 1.51 -1.26 -1.68 117.35 117.29 1sx4 s TYR 485 Ca 0.07 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1sx4 s TYR 485 Cb -0.11 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.07 1sx4 s TYR 485 CO 0.01 -0.67 0.00 0.41 -1.11 0.00 0.00 175.55 174.19 1sx4 n GLY 486 N -2.65 -0.85 3.50 0.71 0.00 -0.87 -4.94 105.19 100.09 1sx4 n GLY 486 Ca 0.05 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 6.31 0.56 1.61 3.84 -1.26 0.12 114.94 122.12 1sx4 s ASN 487 Ca 0.00 -0.51 0.31 0.00 0.21 0.00 0.00 52.86 52.87 1sx4 s ASN 487 Cb 0.00 -2.38 1.46 0.00 -0.55 0.00 0.00 41.25 39.78 1sx4 s ASN 487 CO 0.00 -1.06 1.86 0.24 -2.79 0.00 0.00 177.10 175.35 1sx4 h MET 488 N 9.15 0.00 0.00 0.43 2.86 0.68 0.08 114.93 128.13 1sx4 h MET 488 Ca -0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1sx4 h MET 488 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1sx4 h MET 488 CO 1.02 0.00 -0.30 0.82 1.06 0.00 0.00 176.91 179.52 1sx4 h ILE 489 N 0.00 1.43 -0.62 -1.22 2.04 -1.74 0.02 117.51 117.42 1sx4 h ILE 489 Ca 0.35 -2.18 0.12 0.00 1.00 0.00 0.00 64.86 64.15 1sx4 h ILE 489 Cb 1.59 2.81 -0.12 0.00 -0.74 0.00 0.00 36.82 40.35 1sx4 h ILE 489 CO -0.00 0.48 -0.19 0.44 0.00 0.00 0.00 178.15 178.88 1sx4 h ASP 490 N -1.00 -0.68 0.00 1.72 5.19 -1.64 -0.63 116.42 119.39 1sx4 h ASP 490 Ca -0.08 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1sx4 h ASP 490 Cb 0.98 0.42 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1sx4 h ASP 490 CO -0.05 -0.23 0.00 0.23 -3.12 0.00 0.00 179.24 176.08 1sx4 n MET 491 N -5.43 0.67 -1.69 3.56 2.81 -0.09 -4.85 117.12 112.10 1sx4 n MET 491 Ca 0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.95 1sx4 n MET 491 Cb 0.33 -1.40 -0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.31 0.37 3.04 3.03 0.00 -0.24 -5.02 105.19 106.69 1sx4 n GLY 492 Ca 0.13 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.03 3.03 0.04 -0.61 -1.09 -0.02 -4.98 121.20 115.53 1sx4 s ILE 493 Ca 0.00 -2.78 0.02 0.00 -2.23 0.00 0.00 60.65 55.66 1sx4 s ILE 493 Cb 0.00 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1sx4 s ILE 493 CO 0.00 -0.77 -0.08 -1.48 -1.23 0.00 0.00 174.94 171.38 1sx4 s LEU 494 N 0.28 2.24 -0.03 2.97 2.34 -1.26 -0.99 118.68 124.22 1sx4 s LEU 494 Ca 0.14 -0.51 0.04 0.00 0.06 0.00 0.00 54.13 53.86 1sx4 s LEU 494 Cb -0.22 -0.19 -0.03 0.00 -0.56 0.00 0.00 46.19 45.20 1sx4 s LEU 494 CO -0.03 -0.18 -0.16 -1.81 -1.06 0.00 0.00 176.35 173.12 1sx4 s ASP 495 N -1.46 3.94 0.63 1.48 1.01 -0.36 -4.66 116.67 117.24 1sx4 s ASP 495 Ca -0.09 -0.25 -0.18 0.00 0.71 0.00 0.00 52.55 52.74 1sx4 s ASP 495 Cb -0.09 -0.78 -0.03 0.00 1.01 0.00 0.00 42.92 43.03 1sx4 s ASP 495 CO 0.00 0.33 1.17 -2.65 0.21 0.00 0.00 175.17 174.23 1sx4 n PRO 496 N 2.18 1.05 -0.08 8.23 -0.02 -1.26 0.12 135.00 145.22 1sx4 n PRO 496 Ca -0.17 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 1sx4 n PRO 496 Cb 0.52 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.55 1.20 -0.91 3.45 2.02 0.33 -2.13 112.91 117.42 1sx4 h THR 497 Ca -0.50 -0.62 0.13 0.00 0.77 0.00 0.00 66.41 66.19 1sx4 h THR 497 Cb 1.35 1.10 -0.14 0.00 -1.74 0.00 0.00 68.15 68.72 1sx4 h THR 497 CO 0.52 0.20 -0.43 0.50 0.37 0.00 0.00 175.52 176.69 1sx4 h LYS 498 N 0.27 -0.04 -0.36 6.66 3.64 -1.81 -1.25 116.57 123.67 1sx4 h LYS 498 Ca 0.09 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1sx4 h LYS 498 Cb 0.23 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1sx4 h LYS 498 CO -0.00 -0.03 -0.02 -0.24 -2.27 0.00 0.00 179.45 176.88 1sx4 h VAL 499 N -0.05 1.27 -0.74 2.00 3.04 -1.67 -0.03 116.25 120.07 1sx4 h VAL 499 Ca 0.28 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1sx4 h VAL 499 Cb 0.55 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 31.02 1sx4 h VAL 499 CO -0.91 0.34 0.43 0.74 -1.01 0.00 0.00 177.57 177.16 1sx4 h THR 500 N 0.46 1.21 0.77 3.17 2.02 -1.05 -1.98 112.91 117.51 1sx4 h THR 500 Ca 0.10 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1sx4 h THR 500 Cb 0.50 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1sx4 h THR 500 CO 0.02 0.23 -0.37 -0.09 0.37 0.00 0.00 175.52 175.68 1sx4 h ARG 501 N 1.02 -1.00 -0.83 6.66 2.43 -0.87 -2.29 114.38 119.49 1sx4 h ARG 501 Ca 0.26 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.58 1sx4 h ARG 501 Cb -0.01 0.23 -0.11 0.00 -0.42 0.00 0.00 29.97 29.65 1sx4 h ARG 501 CO -0.05 -0.66 -0.58 0.77 -1.51 0.00 0.00 179.97 177.95 1sx4 h SER 502 N -1.24 -2.07 -0.88 -3.80 0.02 -1.01 0.75 113.55 105.32 1sx4 h SER 502 Ca -0.11 0.30 0.21 0.00 -0.84 0.00 0.00 61.79 61.36 1sx4 h SER 502 Cb 0.80 0.90 -0.16 0.00 0.14 0.00 0.00 62.40 64.08 1sx4 h SER 502 CO 0.17 -0.28 -0.05 0.00 -1.14 0.00 0.00 176.83 175.54 1sx4 h ALA 503 N 0.34 0.87 -0.16 3.77 0.00 -1.39 0.12 119.26 122.81 1sx4 h ALA 503 Ca 0.13 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1sx4 h ALA 503 Cb 0.46 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1sx4 h ALA 503 CO -0.84 -0.46 -0.01 1.25 0.00 0.00 0.00 179.25 179.18 1sx4 h LEU 504 N 0.05 0.29 -0.47 0.00 6.46 0.88 -0.87 115.31 121.66 1sx4 h LEU 504 Ca 0.48 -0.33 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1sx4 h LEU 504 Cb 0.88 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1sx4 h LEU 504 CO -0.82 0.56 -0.34 1.56 -0.62 0.00 0.00 178.44 178.77 1sx4 h GLN 505 N 0.02 0.90 -0.49 1.25 4.20 0.85 -0.19 115.11 121.66 1sx4 h GLN 505 Ca 0.04 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.21 1sx4 h GLN 505 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1sx4 h GLN 505 CO 0.01 1.10 -0.07 1.88 -0.67 0.00 0.00 178.83 181.07 1sx4 h TYR 506 N 0.74 1.01 -0.56 2.96 0.05 -0.83 -0.85 116.97 119.50 1sx4 h TYR 506 Ca 0.07 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 1sx4 h TYR 506 Cb 0.92 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1sx4 h TYR 506 CO 0.06 0.97 0.21 0.00 -1.05 0.00 0.00 178.16 178.35 1sx4 h ALA 507 N 0.90 0.72 0.00 3.88 0.00 -0.73 -2.42 119.26 121.61 1sx4 h ALA 507 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 507 Cb 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sx4 h ALA 507 CO 0.04 0.34 -0.11 0.00 0.00 0.00 0.00 179.25 179.52 1sx4 h ALA 508 N 1.06 1.57 -0.02 0.00 0.00 -0.53 -2.18 119.26 119.15 1sx4 h ALA 508 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 508 Cb 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sx4 h ALA 508 CO -0.01 0.14 -0.03 1.03 0.00 0.00 0.00 179.25 180.37 1sx4 h SER 509 N 0.00 0.07 1.40 0.00 0.87 -0.66 -1.74 113.55 113.50 1sx4 h SER 509 Ca -0.00 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1sx4 h SER 509 Cb 0.23 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1sx4 h SER 509 CO 0.01 0.58 -0.07 1.62 -0.53 0.00 0.00 176.83 178.44 1sx4 h VAL 510 N -0.43 0.15 0.05 2.23 3.04 -1.33 0.26 116.25 120.22 1sx4 h VAL 510 Ca 0.00 -0.91 -0.23 0.00 -1.01 0.00 0.00 66.70 64.55 1sx4 h VAL 510 Cb 0.56 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1sx4 h VAL 510 CO 0.01 0.07 -1.07 0.00 -1.01 0.00 0.00 177.57 175.57 1sx4 h ALA 511 N 1.93 0.29 0.06 3.17 0.00 -1.19 -2.44 119.26 121.08 1sx4 h ALA 511 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1sx4 h ALA 511 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sx4 h ALA 511 CO 0.01 1.04 -0.03 0.78 0.00 0.00 0.00 179.25 181.05 1sx4 h GLY 512 N 2.09 -0.08 -0.42 0.00 0.00 -0.31 0.28 103.07 104.63 1sx4 h GLY 512 Ca -0.07 0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.47 1sx4 h GLY 512 CO 0.16 -0.03 0.03 1.41 0.00 0.00 0.00 176.54 178.11 1sx4 h LEU 513 N -0.37 -0.33 -0.14 3.11 4.07 -0.50 -1.34 115.31 119.81 1sx4 h LEU 513 Ca -0.01 0.20 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 1sx4 h LEU 513 Cb 0.33 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1sx4 h LEU 513 CO 0.01 -0.19 -0.14 0.24 -1.08 0.00 0.00 178.44 177.28 1sx4 h MET 514 N 0.11 0.33 0.00 1.13 2.86 -1.30 -2.67 114.93 115.40 1sx4 h MET 514 Ca 0.44 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1sx4 h MET 514 Cb 0.79 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1sx4 h MET 514 CO -0.69 0.73 0.00 -0.89 1.06 0.00 0.00 176.91 177.12 1sx4 n ILE 515 N -4.57 1.28 -0.67 -1.22 5.41 0.07 -1.68 119.36 117.99 1sx4 n ILE 515 Ca -0.06 0.53 0.07 0.00 1.00 0.00 0.00 62.75 64.28 1sx4 n ILE 515 Cb 0.36 -1.49 0.13 0.00 -0.71 0.00 0.00 39.64 37.93 1sx4 n ILE 515 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1sx4 n THR 516 N -1.95 1.63 -2.96 1.39 -2.24 -0.66 -4.77 114.28 104.72 1sx4 n THR 516 Ca 0.00 -1.70 -0.40 0.00 -2.27 0.00 0.00 64.05 59.68 1sx4 n THR 516 Cb 0.07 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1sx4 n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sx4 s THR 517 N -2.15 4.86 -0.03 4.28 2.01 -0.68 -4.94 115.64 118.99 1sx4 s THR 517 Ca 0.25 1.64 0.09 0.00 0.31 0.00 0.00 61.69 63.97 1sx4 s THR 517 Cb 0.20 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.46 1sx4 s THR 517 CO 0.05 0.29 0.15 -0.62 -0.69 0.00 0.00 174.62 173.80 1sx4 n GLU 518 N 3.30 0.96 -4.03 4.92 -0.58 -1.26 -4.73 120.64 119.22 1sx4 n GLU 518 Ca -0.01 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.57 1sx4 n GLU 518 Cb 0.51 -1.21 -0.11 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.03 0.05 -0.08 0.00 -1.94 -0.29 -5.01 119.30 110.00 1sx4 s MET 520 Ca -0.09 0.23 -0.04 0.00 -1.71 0.00 0.00 55.69 54.09 1sx4 s MET 520 Cb -0.06 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.69 1sx4 s MET 520 CO -0.02 -0.51 0.08 0.08 -0.01 0.00 0.00 175.02 174.64 1sx4 s VAL 521 N 2.22 4.89 0.18 -6.03 1.01 -1.26 -1.46 120.40 119.95 1sx4 s VAL 521 Ca 0.04 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 1sx4 s VAL 521 Cb -0.14 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.19 1sx4 s VAL 521 CO -0.08 0.56 1.05 0.28 0.00 0.00 0.00 175.10 176.91 1sx4 s THR 522 N -1.01 0.00 0.54 3.92 -1.32 -1.08 -5.01 115.64 111.68 1sx4 s THR 522 Ca 0.16 -0.57 -0.06 0.00 -1.21 0.00 0.00 61.69 60.01 1sx4 s THR 522 Cb -0.12 -2.87 -0.01 0.00 -1.51 0.00 0.00 72.50 67.99 1sx4 s THR 522 CO 0.06 0.00 0.85 -1.81 -2.21 0.00 0.00 174.62 171.51 1sx4 s ASP 523 N -3.41 5.92 0.30 8.08 1.01 -1.26 -1.31 116.67 126.01 1sx4 s ASP 523 Ca 0.22 0.84 -0.29 0.00 0.71 0.00 0.00 52.55 54.02 1sx4 s ASP 523 Cb -0.02 -1.98 -0.10 0.00 1.01 0.00 0.00 42.92 41.83 1sx4 s ASP 523 CO 0.05 -0.84 1.24 -0.76 0.21 0.00 0.00 175.17 175.07 1sx4 s LEU 524 N -4.88 4.47 0.00 1.23 1.43 -1.22 -4.55 118.68 115.16 1sx4 s LEU 524 Ca 0.51 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1sx4 s LEU 524 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1sx4 s LEU 524 CO 0.45 -0.40 0.22 -0.81 0.23 0.00 0.00 176.35 176.04