#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 1.36 -2.18 0.00 0.00 -1.26 -4.95 120.51 113.48 1xck n ALA 3 Ca 0.00 0.45 -0.19 0.00 0.00 0.00 0.00 53.44 53.70 1xck n ALA 3 Cb 0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.09 1xck n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xck s LYS 4 N 0.89 2.76 -0.23 0.00 -0.14 -1.26 -3.17 119.74 118.60 1xck s LYS 4 Ca 0.79 -1.31 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 1xck s LYS 4 Cb -0.68 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1xck s LYS 4 CO 0.38 -0.17 -0.13 0.34 -0.76 0.00 0.00 175.35 175.01 1xck s ASP 5 N -4.23 3.96 -0.20 2.83 -1.08 0.92 -4.76 116.67 114.11 1xck s ASP 5 Ca 0.50 -1.14 -0.06 0.00 -0.52 0.00 0.00 52.55 51.34 1xck s ASP 5 Cb -0.07 -1.47 -0.03 0.00 -1.46 0.00 0.00 42.92 39.89 1xck s ASP 5 CO 0.31 -0.14 0.02 -0.69 0.52 0.00 0.00 175.17 175.18 1xck s VAL 6 N 1.20 4.10 0.08 1.11 1.01 -1.26 -2.26 120.40 124.39 1xck s VAL 6 Ca -0.04 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1xck s VAL 6 Cb -0.18 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xck s VAL 6 CO -0.07 0.42 -0.16 -0.54 0.00 0.00 0.00 175.10 174.74 1xck s LYS 7 N 1.01 1.98 0.37 2.72 1.02 -0.30 -4.98 119.74 121.55 1xck s LYS 7 Ca 0.02 -1.06 0.08 0.00 0.02 0.00 0.00 55.97 55.03 1xck s LYS 7 Cb -0.14 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 1xck s LYS 7 CO 0.02 0.51 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.86 1xck s PHE 8 N -1.07 2.42 0.00 3.18 0.08 -1.26 -1.04 117.98 120.29 1xck s PHE 8 Ca 0.17 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1xck s PHE 8 Cb -0.11 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1xck s PHE 8 CO 0.09 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 1xck n GLY 9 N -0.85 0.72 0.37 4.36 0.00 0.95 -1.50 105.19 109.25 1xck n GLY 9 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1xck n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xck h ASN 10 N 0.00 1.04 -0.52 1.61 -0.73 -1.93 -1.08 115.58 113.97 1xck h ASN 10 Ca 0.00 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.19 1xck h ASN 10 Cb 0.00 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.32 1xck h ASN 10 CO 0.00 0.70 0.30 -0.78 -0.37 0.00 0.00 177.43 177.28 1xck h ASP 11 N 1.20 0.47 -0.36 1.15 -0.00 -1.81 -1.77 116.42 115.31 1xck h ASP 11 Ca 0.40 0.01 -0.03 0.00 -0.00 0.00 0.00 57.03 57.40 1xck h ASP 11 Cb 0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.29 1xck h ASP 11 CO -0.13 0.33 0.09 0.00 -0.00 0.00 0.00 179.24 179.53 1xck h ALA 12 N 1.24 0.47 -0.51 -0.78 0.00 -0.51 -3.13 119.26 116.04 1xck h ALA 12 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 12 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 12 CO -0.11 0.13 0.09 0.00 0.00 0.00 0.00 179.25 179.36 1xck h ARG 13 N 0.42 0.80 -0.34 0.00 3.08 -0.85 -2.20 114.38 115.29 1xck h ARG 13 Ca 0.11 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1xck h ARG 13 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1xck h ARG 13 CO -0.00 0.75 -0.26 -0.39 -1.07 0.00 0.00 179.97 179.00 1xck h VAL 14 N 0.77 1.27 0.07 2.04 -1.51 -1.36 -1.06 116.25 116.48 1xck h VAL 14 Ca 0.16 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1xck h VAL 14 Cb 0.33 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1xck h VAL 14 CO 0.00 0.45 -0.07 0.11 -1.23 0.00 0.00 177.57 176.83 1xck h LYS 15 N 0.59 -0.14 -0.34 5.19 1.79 -1.43 0.12 116.57 122.35 1xck h LYS 15 Ca 0.08 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1xck h LYS 15 Cb 0.75 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 1xck h LYS 15 CO 0.06 -0.09 0.17 0.52 -1.08 0.00 0.00 179.45 179.02 1xck h MET 16 N -0.15 0.34 0.22 3.15 2.86 -1.22 -0.88 114.93 119.25 1xck h MET 16 Ca 0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1xck h MET 16 Cb 0.14 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1xck h MET 16 CO -0.02 0.22 -0.26 1.25 1.06 0.00 0.00 176.91 179.17 1xck h LEU 17 N 0.35 -0.70 -1.24 1.22 5.85 -0.92 0.39 115.31 120.26 1xck h LEU 17 Ca 0.14 0.07 0.25 0.00 0.84 0.00 0.00 57.88 59.18 1xck h LEU 17 Cb 0.05 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 1xck h LEU 17 CO -0.10 -0.36 0.64 -0.09 -0.34 0.00 0.00 178.44 178.19 1xck h ARG 18 N -0.52 0.47 -0.08 1.25 9.65 -0.50 0.17 114.38 124.82 1xck h ARG 18 Ca 0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1xck h ARG 18 Cb 0.50 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1xck h ARG 18 CO -0.08 0.31 -0.21 0.78 2.80 0.00 0.00 179.97 183.57 1xck h GLY 19 N 0.49 0.32 2.00 2.80 0.00 -0.04 -2.97 103.07 105.66 1xck h GLY 19 Ca 0.60 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1xck h GLY 19 CO -0.34 0.36 -0.02 -0.39 0.00 0.00 0.00 176.54 176.14 1xck h VAL 20 N -0.19 0.06 -0.33 4.60 -1.51 0.65 -2.80 116.25 116.71 1xck h VAL 20 Ca -0.00 -0.58 -0.08 0.00 -1.23 0.00 0.00 66.70 64.81 1xck h VAL 20 Cb 0.83 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1xck h VAL 20 CO 0.05 0.02 -0.11 0.78 -1.23 0.00 0.00 177.57 177.08 1xck h ASN 21 N 0.00 0.68 -0.30 4.19 2.35 -0.67 0.18 115.58 122.01 1xck h ASN 21 Ca -0.00 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1xck h ASN 21 Cb 0.54 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1xck h ASN 21 CO 0.00 0.90 0.16 0.58 -1.65 0.00 0.00 177.43 177.43 1xck h VAL 22 N 0.44 1.02 0.54 2.81 2.07 -1.34 0.20 116.25 121.98 1xck h VAL 22 Ca 0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1xck h VAL 22 Cb 0.62 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xck h VAL 22 CO 0.04 0.06 -0.26 0.25 0.02 0.00 0.00 177.57 177.68 1xck h LEU 23 N 0.34 -0.61 -0.09 2.57 5.85 -1.37 -2.30 115.31 119.70 1xck h LEU 23 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xck h LEU 23 Cb 0.01 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xck h LEU 23 CO -0.06 -0.44 0.05 0.00 -0.34 0.00 0.00 178.44 177.65 1xck h ALA 24 N -0.25 0.11 -0.33 1.25 0.00 -0.49 -2.01 119.26 117.55 1xck h ALA 24 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 24 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xck h ALA 24 CO 0.12 -0.41 0.16 -0.44 0.00 0.00 0.00 179.25 178.68 1xck h ASP 25 N 0.11 0.40 0.11 0.00 3.32 -0.63 0.26 116.42 119.98 1xck h ASP 25 Ca 0.04 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 1xck h ASP 25 Cb 0.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xck h ASP 25 CO -0.02 0.35 -0.70 0.00 -1.72 0.00 0.00 179.24 177.15 1xck h ALA 26 N 1.72 0.56 0.15 3.45 0.00 -1.18 -3.31 119.26 120.64 1xck h ALA 26 Ca 0.12 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1xck h ALA 26 Cb 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 26 CO -0.02 0.73 -0.90 0.28 0.00 0.00 0.00 179.25 179.34 1xck h VAL 27 N 0.37 1.47 0.00 0.00 2.07 -0.76 -3.36 116.25 116.05 1xck h VAL 27 Ca -0.03 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1xck h VAL 27 Cb 1.28 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1xck h VAL 27 CO 0.13 0.72 0.00 2.29 0.02 0.00 0.00 177.57 180.73 1xck n LYS 28 N -4.08 0.15 0.28 1.57 2.85 0.84 -2.47 118.16 117.31 1xck n LYS 28 Ca -0.15 0.49 0.17 0.00 -1.05 0.00 0.00 58.31 57.77 1xck n LYS 28 Cb 0.85 -1.86 0.81 0.00 -0.65 0.00 0.00 35.03 34.18 1xck n LYS 28 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1xck h VAL 29 N 0.00 0.22 -0.36 0.58 -1.51 -1.71 -2.30 116.25 111.17 1xck h VAL 29 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1xck h VAL 29 Cb 0.20 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1xck h VAL 29 CO 0.00 0.06 0.00 0.35 -1.23 0.00 0.00 177.57 176.75 1xck n THR 30 N -3.28 0.47 0.15 7.19 -2.24 -1.03 -0.82 114.28 114.70 1xck n THR 30 Ca -0.01 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1xck n THR 30 Cb 0.24 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 1xck n THR 30 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xck h LEU 31 N 3.86 -0.75 0.00 3.22 5.85 -1.58 -3.40 115.31 122.51 1xck h LEU 31 Ca 0.00 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.53 1xck h LEU 31 Cb 0.85 0.25 0.12 0.00 0.37 0.00 0.00 40.66 42.26 1xck h LEU 31 CO 0.00 -0.35 0.08 0.61 -0.34 0.00 0.00 178.44 178.44 1xck n GLY 32 N -1.29 -2.59 0.16 3.75 0.00 -1.26 -4.79 105.19 99.16 1xck n GLY 32 Ca -0.06 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1xck n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xck h PRO 33 N 0.00 0.00 -0.78 1.61 0.13 -1.89 -1.16 132.00 129.91 1xck h PRO 33 Ca -0.26 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.54 1xck h PRO 33 Cb 0.79 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.72 1xck h PRO 33 CO 0.17 0.00 0.38 1.63 -0.23 0.00 0.00 178.00 179.95 1xck n LYS 34 N -2.46 2.86 -1.78 0.86 4.76 -1.26 -5.01 118.16 116.13 1xck n LYS 34 Ca 0.02 -3.06 -0.38 0.00 -2.87 0.00 0.00 58.31 52.02 1xck n LYS 34 Cb 0.29 -2.14 0.05 0.00 -1.84 0.00 0.00 35.03 31.39 1xck n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xck s GLY 35 N -1.38 2.87 0.68 0.72 0.00 -0.44 -4.62 107.32 105.16 1xck s GLY 35 Ca 0.54 1.28 -0.03 0.00 0.00 0.00 0.00 44.72 46.52 1xck s GLY 35 CO 0.11 1.76 0.95 0.50 0.00 0.00 0.00 173.10 176.42 1xck s ARG 36 N -3.09 2.02 0.10 2.90 1.81 -0.00 -4.91 118.95 117.76 1xck s ARG 36 Ca 0.76 -0.73 -0.08 0.00 -1.72 0.00 0.00 55.73 53.96 1xck s ARG 36 Cb -0.39 -2.30 -0.06 0.00 -0.45 0.00 0.00 34.95 31.75 1xck s ARG 36 CO 0.44 -1.22 0.38 -0.80 -0.68 0.00 0.00 175.30 173.42 1xck s ASN 37 N -4.59 6.58 -0.07 0.23 0.02 -1.26 -4.30 114.94 111.54 1xck s ASN 37 Ca 0.62 0.70 0.05 0.00 -1.02 0.00 0.00 52.86 53.21 1xck s ASN 37 Cb -0.08 -2.14 -0.00 0.00 0.02 0.00 0.00 41.25 39.04 1xck s ASN 37 CO 0.43 0.13 -0.22 -0.69 0.02 0.00 0.00 177.10 176.77 1xck s VAL 38 N -1.48 1.88 -0.29 1.60 1.01 0.91 -4.94 120.40 119.08 1xck s VAL 38 Ca 0.35 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1xck s VAL 38 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1xck s VAL 38 CO 0.20 0.52 0.16 -0.69 0.00 0.00 0.00 175.10 175.29 1xck s VAL 39 N 0.11 4.83 -0.32 2.92 1.01 -1.26 -0.91 120.40 126.78 1xck s VAL 39 Ca -0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1xck s VAL 39 Cb -0.15 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1xck s VAL 39 CO 0.05 0.17 0.16 -0.76 0.00 0.00 0.00 175.10 174.73 1xck s LEU 40 N 1.67 4.21 0.44 3.92 1.43 0.15 -4.91 118.68 125.58 1xck s LEU 40 Ca 0.06 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 1xck s LEU 40 Cb -0.16 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.96 1xck s LEU 40 CO 0.08 -0.22 1.12 -0.62 0.23 0.00 0.00 176.35 176.93 1xck s ASP 41 N 1.61 6.41 -0.07 2.29 2.15 -1.26 0.14 116.67 127.94 1xck s ASP 41 Ca 0.04 2.19 0.02 0.00 0.43 0.00 0.00 52.55 55.24 1xck s ASP 41 Cb -0.17 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1xck s ASP 41 CO 0.07 -0.75 -0.13 -0.54 -0.17 0.00 0.00 175.17 173.65 1xck s LYS 42 N -2.64 1.79 0.35 4.34 1.02 -1.26 -4.88 119.74 118.46 1xck s LYS 42 Ca 0.61 -0.44 0.16 0.00 0.02 0.00 0.00 55.97 56.33 1xck s LYS 42 Cb -0.26 -1.47 1.15 0.00 -0.52 0.00 0.00 37.83 36.73 1xck s LYS 42 CO 0.31 0.03 1.65 0.66 -0.92 0.00 0.00 175.35 177.08 1xck h SER 43 N 7.00 0.47 -3.42 2.83 4.64 -1.97 -3.36 113.55 119.74 1xck h SER 43 Ca -0.30 0.20 -0.66 0.00 -0.47 0.00 0.00 61.79 60.56 1xck h SER 43 Cb 1.19 0.15 -0.28 0.00 -0.31 0.00 0.00 62.40 63.15 1xck h SER 43 CO 0.47 -0.18 -0.72 -0.36 -0.87 0.00 0.00 176.83 175.17 1xck s PHE 44 N -5.62 2.98 0.00 4.77 0.08 -1.26 -5.04 117.98 113.89 1xck s PHE 44 Ca -0.10 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 55.94 1xck s PHE 44 Cb 0.31 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1xck s PHE 44 CO 0.79 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1xck n GLY 45 N 4.79 -1.43 3.85 4.36 0.00 -1.26 -4.95 105.19 110.54 1xck n GLY 45 Ca -0.18 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1xck n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xck s ALA 46 N -1.80 3.27 0.97 4.61 0.00 -1.26 -4.81 121.76 122.74 1xck s ALA 46 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1xck s ALA 46 Cb 0.00 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.45 1xck s ALA 46 CO 0.00 0.26 1.10 -2.14 0.00 0.00 0.00 175.76 174.98 1xck s PRO 47 N -3.11 0.65 -0.18 0.00 0.02 -1.26 -4.64 135.00 126.47 1xck s PRO 47 Ca 0.55 1.22 -0.11 0.00 0.02 0.00 0.00 61.00 62.69 1xck s PRO 47 Cb -0.10 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 1xck s PRO 47 CO 0.18 -2.78 0.17 0.99 -0.33 0.00 0.00 177.00 175.24 1xck s THR 48 N -2.66 5.39 -0.21 0.99 2.01 0.12 -4.92 115.64 116.35 1xck s THR 48 Ca 0.66 0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.88 1xck s THR 48 Cb -0.22 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1xck s THR 48 CO 0.59 0.44 0.04 -0.63 -0.69 0.00 0.00 174.62 174.38 1xck s ILE 49 N 0.29 4.35 0.12 1.82 1.01 -1.26 0.33 121.20 127.85 1xck s ILE 49 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1xck s ILE 49 Cb -0.12 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1xck s ILE 49 CO -0.00 0.41 0.15 0.28 0.00 0.00 0.00 174.94 175.78 1xck s THR 50 N 0.99 0.12 -0.00 2.92 -1.32 -0.09 -4.95 115.64 113.31 1xck s THR 50 Ca 0.03 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 1xck s THR 50 Cb -0.14 -1.70 0.01 0.00 -1.51 0.00 0.00 72.50 69.15 1xck s THR 50 CO 0.03 -0.55 0.90 0.29 -2.21 0.00 0.00 174.62 173.07 1xck n LYS 51 N -0.09 2.30 -3.03 7.08 5.02 -1.26 -0.06 118.16 128.12 1xck n LYS 51 Ca -0.10 -1.30 -0.43 0.00 -2.02 0.00 0.00 58.31 54.45 1xck n LYS 51 Cb 0.63 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -0.82 6.29 0.57 4.39 2.15 -1.26 -4.81 116.67 123.17 1xck s ASP 52 Ca 0.01 -0.60 0.27 0.00 0.43 0.00 0.00 52.55 52.66 1xck s ASP 52 Cb 0.01 -2.35 1.56 0.00 -0.30 0.00 0.00 42.92 41.84 1xck s ASP 52 CO 0.00 -1.00 2.05 1.23 -0.17 0.00 0.00 175.17 177.29 1xck h GLY 53 N 10.17 0.00 1.16 2.66 0.00 -1.91 -1.11 103.07 114.04 1xck h GLY 53 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1xck h GLY 53 CO 1.00 0.00 -0.74 -2.08 0.00 0.00 0.00 176.54 174.72 1xck h VAL 54 N 0.00 1.28 -0.44 4.60 2.07 -1.96 -1.33 116.25 120.47 1xck h VAL 54 Ca 0.13 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1xck h VAL 54 Cb 0.65 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1xck h VAL 54 CO -0.00 0.61 0.22 0.28 0.02 0.00 0.00 177.57 178.71 1xck h SER 55 N 0.55 0.56 0.12 0.57 0.02 -1.64 -1.99 113.55 111.73 1xck h SER 55 Ca -0.04 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1xck h SER 55 Cb 1.36 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1xck h SER 55 CO 0.15 0.52 -0.06 0.58 -1.14 0.00 0.00 176.83 176.88 1xck h VAL 56 N 0.57 0.95 -0.99 2.27 2.07 -1.39 -2.96 116.25 116.78 1xck h VAL 56 Ca 0.15 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1xck h VAL 56 Cb 0.09 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1xck h VAL 56 CO -0.02 0.06 0.62 0.00 0.02 0.00 0.00 177.57 178.25 1xck h ALA 57 N 0.61 1.46 -0.93 1.67 0.00 -1.13 -1.23 119.26 119.71 1xck h ALA 57 Ca -0.02 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 57 Cb 0.22 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 57 CO 0.03 0.26 0.59 -0.09 0.00 0.00 0.00 179.25 180.04 1xck h ARG 58 N 1.02 0.71 0.00 0.00 2.43 -1.19 -1.66 114.38 115.68 1xck h ARG 58 Ca 0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1xck h ARG 58 Cb 0.41 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xck h ARG 58 CO -0.24 0.47 0.00 0.93 -1.51 0.00 0.00 179.97 179.62 1xck h GLU 59 N 0.73 0.00 -6.22 0.20 4.39 -1.18 -3.46 114.58 109.04 1xck h GLU 59 Ca 0.48 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.62 1xck h GLU 59 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1xck h GLU 59 CO -0.24 0.00 0.90 0.42 -1.16 0.00 0.00 179.01 178.93 1xck s ILE 60 N -3.18 4.09 -0.21 3.13 -1.09 -0.63 -4.98 121.20 118.32 1xck s ILE 60 Ca 0.08 1.35 -0.09 0.00 -2.23 0.00 0.00 60.65 59.76 1xck s ILE 60 Cb 0.08 -3.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1xck s ILE 60 CO 0.62 -0.09 0.48 -0.70 -1.23 0.00 0.00 174.94 174.02 1xck s GLU 61 N 3.26 0.42 0.12 2.79 2.12 -1.26 -4.92 118.70 121.23 1xck s GLU 61 Ca 0.59 1.04 -0.00 0.00 0.36 0.00 0.00 54.97 56.96 1xck s GLU 61 Cb -0.25 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1xck s GLU 61 CO 0.20 -0.21 0.29 -0.51 -0.54 0.00 0.00 175.26 174.49 1xck s LEU 62 N 2.21 4.31 0.08 2.70 1.43 -1.26 -5.03 118.68 123.12 1xck s LEU 62 Ca -0.05 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 1xck s LEU 62 Cb -0.10 -3.04 -0.11 0.00 0.03 0.00 0.00 46.19 42.96 1xck s LEU 62 CO -0.14 0.08 1.38 -0.08 0.23 0.00 0.00 176.35 177.82 1xck h GLU 63 N 2.58 0.57 -6.25 1.70 4.81 -2.00 -3.42 114.58 112.57 1xck h GLU 63 Ca -0.47 -0.31 -0.55 0.00 -0.13 0.00 0.00 59.36 57.90 1xck h GLU 63 Cb 1.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1xck h GLU 63 CO 0.72 0.90 1.10 0.34 -0.73 0.00 0.00 179.01 181.35 1xck s ASP 64 N -6.41 6.57 0.29 1.04 -1.08 -1.26 -4.89 116.67 110.93 1xck s ASP 64 Ca -0.13 2.04 0.03 0.00 -0.52 0.00 0.00 52.55 53.98 1xck s ASP 64 Cb 0.07 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.67 1xck s ASP 64 CO 0.80 -1.04 1.77 0.11 0.52 0.00 0.00 175.17 177.34 1xck h LYS 65 N 9.96 0.69 -0.05 4.34 1.79 -1.94 0.19 116.57 131.55 1xck h LYS 65 Ca -0.37 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1xck h LYS 65 Cb 1.17 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1xck h LYS 65 CO 0.97 0.45 -0.06 0.74 -1.08 0.00 0.00 179.45 180.47 1xck h PHE 66 N 0.71 0.15 -0.92 -1.35 0.04 -1.94 -1.99 116.94 111.64 1xck h PHE 66 Ca 0.54 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.30 1xck h PHE 66 Cb 0.82 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.88 1xck h PHE 66 CO -0.04 0.61 0.59 0.93 -0.60 0.00 0.00 178.31 179.80 1xck h GLU 67 N -0.35 1.10 -0.83 1.51 5.08 -1.60 -2.10 114.58 117.40 1xck h GLU 67 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1xck h GLU 67 Cb 0.59 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1xck h GLU 67 CO 0.01 0.73 0.50 -0.97 -1.00 0.00 0.00 179.01 178.28 1xck h ASN 68 N 1.14 1.00 -0.77 1.42 -1.24 -0.91 -1.53 115.58 114.70 1xck h ASN 68 Ca 0.37 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.32 1xck h ASN 68 Cb 0.04 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.80 1xck h ASN 68 CO -0.13 0.78 0.49 0.24 -1.29 0.00 0.00 177.43 177.51 1xck h MET 69 N 1.14 1.03 0.22 6.67 2.86 -0.69 0.25 114.93 126.40 1xck h MET 69 Ca 0.30 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1xck h MET 69 Cb -0.04 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.40 1xck h MET 69 CO -0.06 0.70 -0.10 0.78 1.06 0.00 0.00 176.91 179.29 1xck h GLY 70 N 1.06 -0.30 0.95 8.32 0.00 -0.85 -0.93 103.07 111.32 1xck h GLY 70 Ca 0.28 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1xck h GLY 70 CO -0.06 -0.11 0.25 0.00 0.00 0.00 0.00 176.54 176.63 1xck h ALA 71 N 0.39 0.52 -0.54 3.60 0.00 -0.74 -2.69 119.26 119.79 1xck h ALA 71 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 71 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1xck h ALA 71 CO 0.05 -0.06 0.27 1.96 0.00 0.00 0.00 179.25 181.47 1xck h GLN 72 N 0.52 0.76 0.38 0.00 1.08 -0.40 -0.66 115.11 116.78 1xck h GLN 72 Ca 0.16 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1xck h GLN 72 Cb -0.02 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1xck h GLN 72 CO -0.06 0.58 -0.18 0.52 -0.95 0.00 0.00 178.83 178.75 1xck h MET 73 N 0.76 -0.49 -0.06 1.46 2.86 -0.83 -0.72 114.93 117.91 1xck h MET 73 Ca 0.19 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1xck h MET 73 Cb 0.07 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1xck h MET 73 CO -0.03 -0.28 -0.59 -0.24 1.06 0.00 0.00 176.91 176.84 1xck h VAL 74 N -0.59 1.39 -0.86 -2.22 3.04 -1.48 -2.76 116.25 112.76 1xck h VAL 74 Ca -0.05 -1.96 0.08 0.00 -1.01 0.00 0.00 66.70 63.76 1xck h VAL 74 Cb 0.44 2.00 -0.07 0.00 -2.01 0.00 0.00 31.29 31.65 1xck h VAL 74 CO 0.09 0.57 0.52 0.50 -1.01 0.00 0.00 177.57 178.24 1xck h LYS 75 N 0.15 0.89 0.62 4.17 3.64 -0.98 0.92 116.57 125.96 1xck h LYS 75 Ca -0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1xck h LYS 75 Cb 1.08 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1xck h LYS 75 CO 0.09 0.59 -0.30 1.49 -2.27 0.00 0.00 179.45 179.05 1xck h GLU 76 N 0.91 -0.80 0.00 1.90 4.81 -0.84 -2.77 114.58 117.79 1xck h GLU 76 Ca 0.40 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 1xck h GLU 76 Cb 0.27 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1xck h GLU 76 CO -0.21 -0.50 -0.27 -0.39 -0.73 0.00 0.00 179.01 176.91 1xck h VAL 77 N -1.17 1.01 -0.73 0.32 -1.51 -1.43 -2.43 116.25 110.33 1xck h VAL 77 Ca -0.08 -0.98 -0.07 0.00 -1.23 0.00 0.00 66.70 64.34 1xck h VAL 77 Cb 0.67 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 1xck h VAL 77 CO 0.14 0.26 0.19 0.00 -1.23 0.00 0.00 177.57 176.93 1xck h ALA 78 N 1.73 0.96 -0.47 5.19 0.00 -0.84 -2.34 119.26 123.49 1xck h ALA 78 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xck h ALA 78 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 78 CO 0.03 0.67 0.18 0.66 0.00 0.00 0.00 179.25 180.80 1xck h SER 79 N 1.10 0.61 -0.59 0.00 4.64 -1.13 -1.16 113.55 117.01 1xck h SER 79 Ca 0.23 -0.07 0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1xck h SER 79 Cb 0.36 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1xck h SER 79 CO 0.00 0.55 0.42 0.11 -0.87 0.00 0.00 176.83 177.05 1xck h LYS 80 N 0.67 0.02 -0.27 4.77 1.57 -1.30 0.93 116.57 122.96 1xck h LYS 80 Ca 0.16 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1xck h LYS 80 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xck h LYS 80 CO -0.02 0.01 0.02 0.00 -0.57 0.00 0.00 179.45 178.90 1xck h ALA 81 N 1.71 0.36 -0.63 3.86 0.00 -1.20 -1.51 119.26 121.84 1xck h ALA 81 Ca 0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 81 Cb 1.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xck h ALA 81 CO -0.01 0.07 0.17 -0.97 0.00 0.00 0.00 179.25 178.52 1xck h ASN 82 N 0.26 0.91 -0.72 0.00 -1.24 -0.92 -1.35 115.58 112.53 1xck h ASN 82 Ca 0.08 -0.17 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 1xck h ASN 82 Cb 0.38 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1xck h ASN 82 CO 0.01 0.87 0.34 0.44 -1.29 0.00 0.00 177.43 177.80 1xck h ASP 83 N 0.94 0.94 0.22 1.15 3.32 -0.99 0.72 116.42 122.71 1xck h ASP 83 Ca 0.20 -0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 1xck h ASP 83 Cb 0.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xck h ASP 83 CO -0.00 0.82 -0.87 0.00 -1.72 0.00 0.00 179.24 177.46 1xck h ALA 84 N 1.16 0.39 0.00 3.45 0.00 -0.90 -3.39 119.26 119.98 1xck h ALA 84 Ca 0.24 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xck h ALA 84 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xck h ALA 84 CO -0.03 0.77 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1xck n ALA 85 N -2.55 1.68 -1.00 0.00 0.00 -0.54 -5.00 120.51 113.10 1xck n ALA 85 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1xck n ALA 85 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1xck n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 86 N -0.07 0.40 3.61 0.00 0.00 0.25 -4.69 105.19 104.69 1xck n GLY 86 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1xck n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xck s ASP 87 N -2.02 -0.15 0.00 1.61 2.15 -1.24 -4.97 116.67 112.05 1xck s ASP 87 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1xck s ASP 87 Cb 0.00 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 1xck s ASP 87 CO 0.00 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1xck n GLY 88 N -0.29 0.95 0.17 2.66 0.00 -1.26 -4.05 105.19 103.37 1xck n GLY 88 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 1.29 -0.28 2.61 2.02 -1.89 -0.29 112.91 116.37 1xck h THR 89 Ca 0.00 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1xck h THR 89 Cb 0.00 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1xck h THR 89 CO 0.00 0.35 0.06 0.74 0.37 0.00 0.00 175.52 177.03 1xck h THR 90 N 0.22 1.22 -0.24 3.16 2.02 -1.90 -1.78 112.91 115.61 1xck h THR 90 Ca 0.06 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.53 1xck h THR 90 Cb 0.56 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1xck h THR 90 CO 0.03 0.25 -0.07 0.74 0.37 0.00 0.00 175.52 176.83 1xck h THR 91 N 0.29 0.73 -0.93 3.16 2.02 -1.96 -0.33 112.91 115.88 1xck h THR 91 Ca 0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.38 1xck h THR 91 Cb 0.32 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1xck h THR 91 CO 0.00 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.49 1xck h ALA 92 N 1.22 1.63 -0.03 6.16 0.00 -0.91 0.71 119.26 128.05 1xck h ALA 92 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 92 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 92 CO -0.26 0.15 -0.01 1.15 0.00 0.00 0.00 179.25 180.29 1xck h THR 93 N 0.89 1.29 -0.24 0.00 2.02 -0.23 0.15 112.91 116.79 1xck h THR 93 Ca 0.45 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1xck h THR 93 Cb 0.49 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1xck h THR 93 CO -0.21 0.23 -0.13 -0.37 0.37 0.00 0.00 175.52 175.41 1xck h VAL 94 N -0.28 1.22 -0.14 3.16 -1.51 -0.62 -0.91 116.25 117.16 1xck h VAL 94 Ca 0.01 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 64.51 1xck h VAL 94 Cb 0.38 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1xck h VAL 94 CO 0.00 0.31 0.05 -0.07 -1.23 0.00 0.00 177.57 176.64 1xck h LEU 95 N 0.38 0.19 -0.94 4.19 3.38 -0.72 -1.53 115.31 120.25 1xck h LEU 95 Ca 0.07 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1xck h LEU 95 Cb 0.46 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1xck h LEU 95 CO 0.03 0.31 0.61 0.00 0.09 0.00 0.00 178.44 179.48 1xck h ALA 96 N 0.89 1.23 -0.56 1.53 0.00 -0.60 -0.60 119.26 121.15 1xck h ALA 96 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 96 Cb 0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xck h ALA 96 CO -0.00 0.50 0.33 0.37 0.00 0.00 0.00 179.25 180.44 1xck h GLN 97 N 1.20 0.77 -0.04 0.00 4.15 -0.87 0.48 115.11 120.80 1xck h GLN 97 Ca 0.37 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1xck h GLN 97 Cb -0.02 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 1xck h GLN 97 CO -0.11 0.57 0.02 0.00 -1.93 0.00 0.00 178.83 177.38 1xck h ALA 98 N 1.16 0.05 0.05 3.38 0.00 -0.63 -0.66 119.26 122.61 1xck h ALA 98 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 98 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 98 CO -0.04 -0.38 -0.03 0.82 0.00 0.00 0.00 179.25 179.63 1xck h ILE 99 N -0.07 1.03 -0.73 0.00 2.04 -0.95 -2.77 117.51 116.05 1xck h ILE 99 Ca 0.01 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.66 1xck h ILE 99 Cb 0.13 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1xck h ILE 99 CO -0.00 0.07 0.43 0.40 0.00 0.00 0.00 178.15 179.05 1xck h ILE 100 N -0.19 1.01 0.77 -0.67 2.04 -0.84 0.98 117.51 120.60 1xck h ILE 100 Ca -0.01 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1xck h ILE 100 Cb 0.17 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1xck h ILE 100 CO 0.01 0.15 -0.37 0.74 0.00 0.00 0.00 178.15 178.68 1xck h THR 101 N 0.80 0.21 -0.82 -0.27 2.02 -1.02 -0.77 112.91 113.06 1xck h THR 101 Ca 0.32 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 1xck h THR 101 Cb 0.16 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1xck h THR 101 CO -0.17 0.01 0.35 -0.33 0.37 0.00 0.00 175.52 175.75 1xck h GLU 102 N -1.09 1.20 -0.59 6.66 4.39 -1.43 -2.14 114.58 121.58 1xck h GLU 102 Ca -0.11 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.42 1xck h GLU 102 Cb 0.80 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1xck h GLU 102 CO 0.17 0.95 0.37 0.78 -1.16 0.00 0.00 179.01 180.12 1xck h GLY 103 N 1.18 0.84 1.93 -3.84 0.00 -0.73 -1.15 103.07 101.31 1xck h GLY 103 Ca 0.28 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1xck h GLY 103 CO -0.03 0.25 -0.37 1.41 0.00 0.00 0.00 176.54 177.80 1xck h LEU 104 N 0.74 0.08 -0.13 3.11 3.38 -0.92 -0.66 115.31 120.92 1xck h LEU 104 Ca 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xck h LEU 104 Cb -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xck h LEU 104 CO -0.09 0.45 0.07 0.11 0.09 0.00 0.00 178.44 179.08 1xck h LYS 105 N 0.07 0.18 -0.37 1.13 1.57 -0.69 -0.48 116.57 117.98 1xck h LYS 105 Ca 0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xck h LYS 105 Cb 0.70 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1xck h LYS 105 CO 0.05 0.19 0.22 0.00 -0.57 0.00 0.00 179.45 179.34 1xck h ALA 106 N 0.98 0.46 -1.00 3.86 0.00 -0.73 -0.23 119.26 122.59 1xck h ALA 106 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 106 Cb 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 106 CO -0.01 -0.12 0.65 0.28 0.00 0.00 0.00 179.25 180.05 1xck h VAL 107 N 0.44 1.11 -0.07 0.00 2.07 -0.82 -0.87 116.25 118.12 1xck h VAL 107 Ca 0.14 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1xck h VAL 107 Cb -0.00 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 1xck h VAL 107 CO -0.06 0.22 -0.43 0.00 0.02 0.00 0.00 177.57 177.31 1xck h ALA 108 N 1.45 1.15 0.00 1.67 0.00 -0.42 -1.27 119.26 121.83 1xck h ALA 108 Ca 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 108 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 108 CO -0.16 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1xck n ALA 109 N -2.47 2.33 -0.40 0.00 0.00 -0.16 -4.85 120.51 114.97 1xck n ALA 109 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xck n ALA 109 Cb 0.48 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xck n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 110 N 0.39 0.79 3.85 0.00 0.00 -0.48 -5.07 105.19 104.67 1xck n GLY 110 Ca 0.17 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1xck n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 111 N -0.64 3.95 -0.12 1.61 1.00 -0.77 -4.99 119.30 119.34 1xck s MET 111 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 55.69 56.20 1xck s MET 111 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 34.83 32.54 1xck s MET 111 CO 0.00 -0.11 1.49 1.21 0.00 0.00 0.00 175.02 177.62 1xck s ASN 112 N -2.84 6.75 0.18 3.03 3.84 -1.26 -4.41 114.94 120.22 1xck s ASN 112 Ca 0.57 1.95 -0.14 0.00 0.21 0.00 0.00 52.86 55.44 1xck s ASN 112 Cb -0.10 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.22 1xck s ASN 112 CO 0.26 -0.90 1.72 -0.65 -2.79 0.00 0.00 177.10 174.74 1xck h PRO 113 N 9.13 0.21 -0.56 0.43 0.11 -1.94 -0.38 132.00 138.99 1xck h PRO 113 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1xck h PRO 113 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1xck h PRO 113 CO 0.97 0.14 0.28 0.52 -0.21 0.00 0.00 178.00 179.69 1xck h MET 114 N 0.21 0.79 -0.18 1.05 2.86 -1.92 -1.23 114.93 116.51 1xck h MET 114 Ca 0.23 -0.09 -0.22 0.00 -2.06 0.00 0.00 59.70 57.56 1xck h MET 114 Cb 0.30 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xck h MET 114 CO -0.30 0.60 -0.73 -0.44 1.06 0.00 0.00 176.91 177.10 1xck h ASP 115 N 0.79 0.95 -0.84 1.22 3.32 -1.75 -2.04 116.42 118.06 1xck h ASP 115 Ca 0.20 -0.61 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1xck h ASP 115 Cb 0.07 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1xck h ASP 115 CO -0.03 1.40 0.53 -0.07 -1.72 0.00 0.00 179.24 179.36 1xck h LEU 116 N 0.55 0.87 -0.19 1.55 3.38 -0.69 0.00 115.31 120.79 1xck h LEU 116 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xck h LEU 116 Cb 1.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xck h LEU 116 CO 0.15 0.59 0.04 0.50 0.09 0.00 0.00 178.44 179.81 1xck h LYS 117 N 1.02 0.31 -0.92 1.13 3.64 -1.18 -1.42 116.57 119.14 1xck h LYS 117 Ca 0.34 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1xck h LYS 117 Cb 0.06 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1xck h LYS 117 CO -0.13 0.45 0.61 -0.09 -2.27 0.00 0.00 179.45 178.01 1xck h ARG 118 N 0.11 1.19 -0.61 1.90 2.43 -0.85 0.85 114.38 119.40 1xck h ARG 118 Ca 0.06 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1xck h ARG 118 Cb 0.28 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xck h ARG 118 CO 0.00 0.79 -0.00 0.78 -1.51 0.00 0.00 179.97 180.03 1xck h GLY 119 N 1.23 1.17 0.90 2.80 0.00 -0.81 -0.17 103.07 108.19 1xck h GLY 119 Ca 0.34 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xck h GLY 119 CO -0.08 0.79 0.10 -2.22 0.00 0.00 0.00 176.54 175.13 1xck h ILE 120 N 0.99 1.17 -0.61 2.60 2.04 -0.59 -1.53 117.51 121.59 1xck h ILE 120 Ca 0.17 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1xck h ILE 120 Cb 0.57 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1xck h ILE 120 CO 0.03 0.18 0.39 0.44 0.00 0.00 0.00 178.15 179.19 1xck h ASP 121 N 0.25 0.71 -0.26 1.72 3.32 -0.65 -0.16 116.42 121.33 1xck h ASP 121 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xck h ASP 121 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xck h ASP 121 CO -0.01 0.53 0.17 0.50 -1.72 0.00 0.00 179.24 178.71 1xck h LYS 122 N 0.82 0.35 -0.56 3.56 3.64 -0.87 0.40 116.57 123.92 1xck h LYS 122 Ca 0.22 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1xck h LYS 122 Cb -0.07 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 1xck h LYS 122 CO -0.05 0.25 0.27 0.00 -2.27 0.00 0.00 179.45 177.66 1xck h ALA 123 N 1.08 0.72 -0.33 5.00 0.00 -0.84 -1.16 119.26 123.73 1xck h ALA 123 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 123 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 123 CO -0.02 -0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.53 1xck h VAL 124 N 0.51 1.20 -0.34 0.00 2.07 -0.60 0.19 116.25 119.28 1xck h VAL 124 Ca 0.26 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1xck h VAL 124 Cb 0.20 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1xck h VAL 124 CO -0.19 0.22 0.05 0.74 0.02 0.00 0.00 177.57 178.40 1xck h THR 125 N 0.38 0.80 -0.77 2.57 2.02 -0.50 0.62 112.91 118.02 1xck h THR 125 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1xck h THR 125 Cb 0.23 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1xck h THR 125 CO -0.00 0.03 0.41 0.00 0.37 0.00 0.00 175.52 176.32 1xck h ALA 126 N 1.27 0.99 -0.55 6.16 0.00 -1.05 -2.59 119.26 123.49 1xck h ALA 126 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 126 Cb 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 126 CO -0.23 0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.67 1xck h ALA 127 N 1.21 1.21 -0.23 0.00 0.00 0.35 -1.42 119.26 120.38 1xck h ALA 127 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 127 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xck h ALA 127 CO -0.04 0.54 -0.22 0.28 0.00 0.00 0.00 179.25 179.81 1xck h VAL 128 N 0.81 1.25 -0.09 0.00 2.07 -0.54 0.53 116.25 120.28 1xck h VAL 128 Ca 0.18 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1xck h VAL 128 Cb 0.29 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1xck h VAL 128 CO -0.00 0.37 -0.13 -0.33 0.02 0.00 0.00 177.57 177.49 1xck h GLU 129 N 0.38 0.25 -0.21 1.57 4.39 -1.14 -2.23 114.58 117.59 1xck h GLU 129 Ca 0.06 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1xck h GLU 129 Cb 0.60 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xck h GLU 129 CO 0.04 0.72 0.18 1.49 -1.16 0.00 0.00 179.01 180.28 1xck h GLU 130 N -0.20 0.00 -0.02 2.33 4.57 -1.00 -0.12 114.58 120.13 1xck h GLU 130 Ca 0.01 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 1xck h GLU 130 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1xck h GLU 130 CO 0.03 0.00 -0.83 1.25 -1.18 0.00 0.00 179.01 178.28 1xck h LEU 131 N 0.00 0.37 -0.74 1.64 5.85 -0.53 -1.89 115.31 120.01 1xck h LEU 131 Ca 0.10 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1xck h LEU 131 Cb 0.47 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1xck h LEU 131 CO -0.00 1.05 -0.44 0.11 -0.34 0.00 0.00 178.44 178.82 1xck h LYS 132 N 0.18 0.43 -0.24 1.25 1.57 -0.44 -2.28 116.57 117.05 1xck h LYS 132 Ca -0.05 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1xck h LYS 132 Cb 1.43 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 1xck h LYS 132 CO 0.13 0.79 -0.22 0.00 -0.57 0.00 0.00 179.45 179.58 1xck h ALA 133 N 1.18 0.35 0.00 3.86 0.00 -1.32 -3.00 119.26 120.32 1xck h ALA 133 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xck h ALA 133 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xck h ALA 133 CO 0.08 0.30 -0.12 1.25 0.00 0.00 0.00 179.25 180.76 1xck h LEU 134 N 0.27 0.00 -9.94 0.00 7.12 -1.26 -3.45 115.31 108.06 1xck h LEU 134 Ca 0.04 0.00 -0.53 0.00 0.13 0.00 0.00 57.88 57.51 1xck h LEU 134 Cb 0.77 0.00 0.10 0.00 -0.53 0.00 0.00 40.66 41.00 1xck h LEU 134 CO 0.06 0.12 0.71 -0.55 -0.13 0.00 0.00 178.44 178.65 1xck s SER 135 N -6.26 6.32 -0.14 1.25 0.15 -0.87 -4.85 113.70 109.30 1xck s SER 135 Ca -0.03 2.89 -0.01 0.00 0.70 0.00 0.00 55.95 59.50 1xck s SER 135 Cb 0.14 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1xck s SER 135 CO 0.60 -0.87 -0.11 -0.69 1.20 0.00 0.00 173.24 173.36 1xck s VAL 136 N -1.16 3.20 0.72 4.45 1.01 0.54 -4.93 120.40 124.22 1xck s VAL 136 Ca 0.54 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1xck s VAL 136 Cb -0.43 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1xck s VAL 136 CO 0.57 0.51 1.23 -2.84 0.00 0.00 0.00 175.10 174.58 1xck s PRO 137 N 0.43 2.17 -0.41 2.72 0.02 -1.26 -1.18 135.00 137.49 1xck s PRO 137 Ca -0.09 1.84 0.02 0.00 0.02 0.00 0.00 61.00 62.79 1xck s PRO 137 Cb -0.15 -1.83 0.15 0.00 0.02 0.00 0.00 34.50 32.69 1xck s PRO 137 CO 0.05 -1.83 0.28 0.00 -0.33 0.00 0.00 177.00 175.17 1xck n SER 139 N 3.36 1.10 -4.71 0.00 7.64 -1.26 -4.19 113.62 115.56 1xck n SER 139 Ca 0.20 0.15 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 1xck n SER 139 Cb 0.41 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1xck n SER 139 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xck n ASP 140 N -3.58 2.24 0.00 6.43 5.75 -1.26 -4.74 116.55 121.39 1xck n ASP 140 Ca -0.03 0.95 0.03 0.00 -0.01 0.00 0.00 54.79 55.73 1xck n ASP 140 Cb 0.16 -1.53 0.14 0.00 -1.03 0.00 0.00 41.12 38.86 1xck n ASP 140 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xck n SER 141 N -0.84 0.00 -0.01 -1.12 3.41 -1.26 -1.29 113.62 112.51 1xck n SER 141 Ca 0.11 0.39 -0.18 0.00 -0.26 0.00 0.00 58.87 58.93 1xck n SER 141 Cb 0.45 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 1xck n SER 141 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1xck h LYS 142 N 0.00 0.68 -0.18 4.33 3.64 -2.00 -2.20 116.57 120.84 1xck h LYS 142 Ca 0.00 -0.61 -0.09 0.00 -1.27 0.00 0.00 60.65 58.68 1xck h LYS 142 Cb 0.08 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1xck h LYS 142 CO 0.00 1.22 -0.25 0.00 -2.27 0.00 0.00 179.45 178.15 1xck h ALA 143 N 0.47 0.27 -0.94 5.00 0.00 -1.54 -2.71 119.26 119.82 1xck h ALA 143 Ca -0.07 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.60 1xck h ALA 143 Cb 1.41 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1xck h ALA 143 CO 0.16 0.25 0.60 0.82 0.00 0.00 0.00 179.25 181.07 1xck h ILE 144 N 0.13 0.84 -0.31 0.00 2.04 -1.40 -0.29 117.51 118.52 1xck h ILE 144 Ca 0.02 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1xck h ILE 144 Cb 0.82 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1xck h ILE 144 CO 0.06 0.14 -0.23 0.00 0.00 0.00 0.00 178.15 178.12 1xck h ALA 145 N 1.59 0.44 -0.50 1.87 0.00 -1.31 -1.98 119.26 119.37 1xck h ALA 145 Ca 0.48 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 145 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xck h ALA 145 CO -0.25 0.42 0.21 1.96 0.00 0.00 0.00 179.25 181.59 1xck h GLN 146 N 0.46 0.74 0.06 0.00 4.20 -0.89 0.11 115.11 119.80 1xck h GLN 146 Ca 0.06 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xck h GLN 146 Cb 0.79 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1xck h GLN 146 CO 0.06 0.65 -0.03 0.28 -0.67 0.00 0.00 178.83 179.12 1xck h VAL 147 N 0.67 1.05 -0.93 -0.54 2.07 -1.12 -0.16 116.25 117.29 1xck h VAL 147 Ca 0.17 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1xck h VAL 147 Cb 0.18 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1xck h VAL 147 CO -0.02 0.10 0.60 1.23 0.02 0.00 0.00 177.57 179.50 1xck h GLY 148 N -0.26 1.38 1.01 2.17 0.00 -1.18 0.31 103.07 106.52 1xck h GLY 148 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1xck h GLY 148 CO 0.01 0.26 0.00 -0.84 0.00 0.00 0.00 176.54 175.98 1xck h THR 149 N 1.01 1.26 -0.54 4.70 2.02 -0.37 0.81 112.91 121.80 1xck h THR 149 Ca 0.42 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 1xck h THR 149 Cb 0.29 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1xck h THR 149 CO -0.17 0.38 -0.09 0.40 0.37 0.00 0.00 175.52 176.41 1xck h ILE 150 N 0.75 1.27 0.00 3.11 2.04 -0.23 0.45 117.51 124.91 1xck h ILE 150 Ca 0.14 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1xck h ILE 150 Cb 0.51 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1xck h ILE 150 CO 0.03 0.44 -0.50 0.28 0.00 0.00 0.00 178.15 178.39 1xck h SER 151 N 0.90 0.00 -0.14 1.72 0.02 -0.77 -2.58 113.55 112.70 1xck h SER 151 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1xck h SER 151 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1xck h SER 151 CO 0.04 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.24 1xck n ALA 152 N -2.41 2.53 -2.87 3.77 0.00 0.26 -4.48 120.51 117.32 1xck n ALA 152 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 1xck n ALA 152 Cb 0.53 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1xck n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xck n ASN 153 N -0.04 -3.47 -0.49 0.00 5.15 -0.97 -3.58 115.26 111.85 1xck n ASN 153 Ca 0.05 -0.19 -0.05 0.00 -0.60 0.00 0.00 54.58 53.79 1xck n ASN 153 Cb 0.18 -2.09 -0.02 0.00 -0.53 0.00 0.00 39.78 37.33 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -0.16 -3.15 -4.39 1.20 7.64 0.16 -5.00 113.62 109.93 1xck n SER 154 Ca -0.00 0.08 -0.45 0.00 1.01 0.00 0.00 58.87 59.52 1xck n SER 154 Cb 0.52 -1.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.04 1xck n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xck s ASP 155 N -2.87 6.24 0.50 6.43 -1.08 -1.11 -4.90 116.67 119.88 1xck s ASP 155 Ca 0.00 -1.48 0.20 0.00 -0.52 0.00 0.00 52.55 50.75 1xck s ASP 155 Cb 0.00 -2.32 1.27 0.00 -1.46 0.00 0.00 42.92 40.41 1xck s ASP 155 CO 0.00 -1.13 2.03 -0.33 0.52 0.00 0.00 175.17 176.26 1xck h GLU 156 N 9.15 0.10 -0.42 4.34 5.08 -1.94 -1.93 114.58 128.96 1xck h GLU 156 Ca -0.24 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1xck h GLU 156 Cb 1.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1xck h GLU 156 CO 1.10 0.07 0.21 1.15 -1.00 0.00 0.00 179.01 180.54 1xck h THR 157 N 0.11 0.97 -0.66 1.13 2.02 -1.97 -0.11 112.91 114.40 1xck h THR 157 Ca 0.19 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1xck h THR 157 Cb 0.62 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1xck h THR 157 CO -0.02 0.08 0.26 0.58 0.37 0.00 0.00 175.52 176.79 1xck h VAL 158 N 0.43 1.24 -0.41 3.16 2.07 -1.71 0.75 116.25 121.77 1xck h VAL 158 Ca 0.18 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1xck h VAL 158 Cb 0.09 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1xck h VAL 158 CO -0.13 0.30 0.25 1.23 0.02 0.00 0.00 177.57 179.24 1xck h GLY 159 N 0.93 0.60 0.97 2.17 0.00 -1.28 -0.17 103.07 106.29 1xck h GLY 159 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xck h GLY 159 CO -0.02 0.24 -0.17 1.70 0.00 0.00 0.00 176.54 178.29 1xck h LYS 160 N 0.55 -0.45 -0.36 4.80 3.64 -0.70 -0.08 116.57 123.97 1xck h LYS 160 Ca 0.15 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1xck h LYS 160 Cb -0.01 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 1xck h LYS 160 CO -0.03 -0.30 -0.31 -0.07 -2.27 0.00 0.00 179.45 176.47 1xck h LEU 161 N -0.46 -1.03 -0.74 5.20 3.38 -0.60 0.19 115.31 121.24 1xck h LEU 161 Ca -0.04 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xck h LEU 161 Cb 0.37 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1xck h LEU 161 CO 0.06 -0.32 0.34 0.40 0.09 0.00 0.00 178.44 179.01 1xck h ILE 162 N -0.26 1.24 -0.46 1.22 2.04 -0.92 -0.90 117.51 119.47 1xck h ILE 162 Ca 0.16 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1xck h ILE 162 Cb 0.53 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1xck h ILE 162 CO -0.50 0.29 0.19 0.00 0.00 0.00 0.00 178.15 178.12 1xck h ALA 163 N 1.17 0.59 -0.39 1.87 0.00 -0.18 -0.73 119.26 121.60 1xck h ALA 163 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 163 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 163 CO -0.03 0.19 0.10 0.93 0.00 0.00 0.00 179.25 180.45 1xck h GLU 164 N 0.59 0.61 -0.46 0.00 5.08 -0.41 -1.79 114.58 118.20 1xck h GLU 164 Ca 0.15 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xck h GLU 164 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xck h GLU 164 CO -0.01 0.63 0.29 0.00 -1.00 0.00 0.00 179.01 178.92 1xck h ALA 165 N 0.95 0.58 0.00 3.43 0.00 -0.98 -1.68 119.26 121.56 1xck h ALA 165 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 165 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xck h ALA 165 CO -0.00 0.05 -0.18 0.52 0.00 0.00 0.00 179.25 179.64 1xck h MET 166 N 0.62 0.00 -0.08 0.00 2.86 -0.99 -1.39 114.93 115.94 1xck h MET 166 Ca 0.17 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.66 1xck h MET 166 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1xck h MET 166 CO -0.03 0.18 -0.61 0.22 1.06 0.00 0.00 176.91 177.72 1xck h ASP 167 N 0.00 0.33 0.29 1.22 3.58 -0.49 0.39 116.42 121.74 1xck h ASP 167 Ca -0.00 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 1xck h ASP 167 Cb 0.38 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xck h ASP 167 CO 0.02 0.86 -0.14 0.11 -2.88 0.00 0.00 179.24 177.21 1xck h LYS 168 N 0.21 -0.37 -0.01 0.28 1.79 -0.41 -3.35 116.57 114.71 1xck h LYS 168 Ca -0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xck h LYS 168 Cb 1.12 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1xck h LYS 168 CO 0.10 -0.03 -0.55 1.33 -1.08 0.00 0.00 179.45 179.23 1xck n VAL 169 N -5.08 0.00 0.00 0.50 0.24 -0.94 -5.09 118.33 107.96 1xck n VAL 169 Ca -0.09 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1xck n VAL 169 Cb 0.27 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 1xck n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xck n GLY 170 N 1.43 -0.04 0.33 7.63 0.00 0.14 -3.15 105.19 111.53 1xck n GLY 170 Ca 0.08 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.33 1xck n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck h LYS 171 N 0.00 0.98 -0.01 1.61 1.79 -1.96 -1.78 116.57 117.21 1xck h LYS 171 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1xck h LYS 171 Cb 0.00 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.43 1xck h LYS 171 CO 0.00 0.65 -0.10 0.39 -1.08 0.00 0.00 179.45 179.31 1xck n GLU 172 N -4.60 0.92 -0.71 3.15 -0.58 -1.26 -4.96 120.64 112.61 1xck n GLU 172 Ca 0.13 -0.37 -0.29 0.00 -0.42 0.00 0.00 57.16 56.21 1xck n GLU 172 Cb 0.18 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 29.77 1xck n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 173 N -2.33 1.59 -0.24 0.62 0.00 -0.67 -5.00 107.32 101.28 1xck s GLY 173 Ca 0.32 0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 1xck s GLY 173 CO 0.44 0.65 0.21 0.14 0.00 0.00 0.00 173.10 174.54 1xck s VAL 174 N -2.60 5.32 -0.05 1.40 1.01 -1.26 -4.96 120.40 119.26 1xck s VAL 174 Ca 0.67 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1xck s VAL 174 Cb -0.23 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1xck s VAL 174 CO 0.62 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 175.17 1xck s ILE 175 N 1.23 2.32 0.19 2.22 1.01 -1.26 -1.03 121.20 125.88 1xck s ILE 175 Ca 0.09 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1xck s ILE 175 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1xck s ILE 175 CO 0.06 0.58 -0.18 -0.89 0.00 0.00 0.00 174.94 174.51 1xck s THR 176 N -0.42 1.91 -0.05 2.92 2.01 -0.22 -4.96 115.64 116.82 1xck s THR 176 Ca 0.04 -2.05 0.02 0.00 0.31 0.00 0.00 61.69 60.01 1xck s THR 176 Cb -0.12 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.45 1xck s THR 176 CO 0.01 -0.38 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.78 1xck s VAL 177 N -2.30 0.86 0.18 3.82 1.01 -1.26 -0.71 120.40 122.01 1xck s VAL 177 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1xck s VAL 177 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1xck s VAL 177 CO 0.08 0.29 0.06 -1.61 0.00 0.00 0.00 175.10 173.91 1xck s GLU 178 N 0.66 1.14 0.63 2.72 2.02 0.03 -4.96 118.70 120.94 1xck s GLU 178 Ca -0.12 -1.57 -0.19 0.00 0.02 0.00 0.00 54.97 53.11 1xck s GLU 178 Cb -0.14 -0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 1xck s GLU 178 CO 0.02 -0.24 1.29 -0.51 0.02 0.00 0.00 175.26 175.84 1xck s ASP 179 N -3.17 4.75 0.47 -0.19 1.01 -1.26 -1.94 116.67 116.34 1xck s ASP 179 Ca 0.29 2.62 -0.07 0.00 0.71 0.00 0.00 52.55 56.10 1xck s ASP 179 Cb 0.07 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1xck s ASP 179 CO 0.07 -1.91 0.80 -0.83 0.21 0.00 0.00 175.17 173.52 1xck s GLY 180 N -1.36 1.65 0.40 0.21 0.00 -0.46 -4.42 107.32 103.34 1xck s GLY 180 Ca 0.81 -0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.37 1xck s GLY 180 CO 0.40 -0.19 1.62 -0.91 0.00 0.00 0.00 173.10 174.02 1xck h THR 181 N 0.44 0.31 0.00 0.90 1.35 -1.87 -3.48 112.91 110.55 1xck h THR 181 Ca -0.47 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1xck h THR 181 Cb 1.20 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1xck h THR 181 CO 0.62 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1xck n GLY 182 N 0.93 1.29 3.77 5.82 0.00 -1.26 -5.12 105.19 110.62 1xck n GLY 182 Ca 0.03 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1xck n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xck s LEU 183 N 0.00 4.45 0.00 0.99 1.98 -1.14 -2.37 118.68 122.59 1xck s LEU 183 Ca 0.00 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.22 1xck s LEU 183 Cb 0.00 -3.84 0.00 0.00 0.66 0.00 0.00 46.19 43.01 1xck s LEU 183 CO 0.00 -0.07 0.00 0.00 -1.89 0.00 0.00 176.35 174.39 1xck n GLN 184 N 0.88 0.00 -0.93 1.98 6.02 -1.26 -4.76 117.38 119.31 1xck n GLN 184 Ca 0.01 0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 1xck n GLN 184 Cb 0.48 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.96 1xck n GLN 184 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xck s ASP 185 N -0.05 1.52 -0.08 1.08 1.01 -1.26 -4.09 116.67 114.81 1xck s ASP 185 Ca 0.00 1.13 -0.10 0.00 0.71 0.00 0.00 52.55 54.28 1xck s ASP 185 Cb 0.00 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.22 1xck s ASP 185 CO 0.00 -3.81 0.27 -1.61 0.21 0.00 0.00 175.17 170.23 1xck s GLU 186 N -4.91 0.40 -0.01 8.23 2.02 -0.10 -4.87 118.70 119.45 1xck s GLU 186 Ca 0.67 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.88 1xck s GLU 186 Cb -0.18 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.24 1xck s GLU 186 CO 0.59 -0.07 -0.03 -1.17 0.02 0.00 0.00 175.26 174.60 1xck s LEU 187 N -0.27 1.77 -0.29 1.80 2.96 -1.26 -0.23 118.68 123.16 1xck s LEU 187 Ca -0.04 -0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 53.59 1xck s LEU 187 Cb -0.03 -0.20 0.15 0.00 0.50 0.00 0.00 46.19 46.61 1xck s LEU 187 CO 0.01 0.00 1.14 1.51 -1.32 0.00 0.00 176.35 177.69 1xck s ASP 188 N 0.23 -0.33 -0.19 3.68 -4.77 -1.12 -4.98 116.67 109.20 1xck s ASP 188 Ca -0.02 0.60 -0.22 0.00 -3.30 0.00 0.00 52.55 49.61 1xck s ASP 188 Cb -0.05 0.79 -0.02 0.00 -1.09 0.00 0.00 42.92 42.54 1xck s ASP 188 CO -0.01 -0.10 0.67 -0.69 0.70 0.00 0.00 175.17 175.74 1xck s VAL 189 N 0.53 5.00 0.41 2.11 1.01 -1.26 -1.27 120.40 126.93 1xck s VAL 189 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 61.98 63.33 1xck s VAL 189 Cb -0.04 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1xck s VAL 189 CO -0.11 0.10 0.05 0.68 0.00 0.00 0.00 175.10 175.82 1xck s VAL 190 N 1.89 2.05 0.07 2.92 -7.23 -0.59 -4.90 120.40 114.62 1xck s VAL 190 Ca 0.31 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 1xck s VAL 190 Cb -0.16 -2.99 -0.08 0.00 0.56 0.00 0.00 36.38 33.71 1xck s VAL 190 CO 0.11 0.00 1.58 -1.61 -0.31 0.00 0.00 175.10 174.87 1xck s GLU 191 N -3.76 4.22 0.05 4.82 0.41 -1.26 -1.43 118.70 121.75 1xck s GLU 191 Ca 0.36 2.25 -0.28 0.00 -0.41 0.00 0.00 54.97 56.89 1xck s GLU 191 Cb 0.09 -3.51 0.10 0.00 -1.78 0.00 0.00 34.13 29.02 1xck s GLU 191 CO 0.19 -0.67 1.17 0.20 -0.49 0.00 0.00 175.26 175.66 1xck s GLY 192 N 2.06 -0.30 0.23 -1.39 0.00 -1.26 0.44 107.32 107.10 1xck s GLY 192 Ca 0.71 0.39 -0.18 0.00 0.00 0.00 0.00 44.72 45.65 1xck s GLY 192 CO 0.31 0.67 0.57 -0.29 0.00 0.00 0.00 173.10 174.37 1xck s MET 193 N -2.63 1.53 -0.16 2.90 1.75 -0.67 -3.90 119.30 118.12 1xck s MET 193 Ca 0.15 -0.97 -0.06 0.00 -1.25 0.00 0.00 55.69 53.56 1xck s MET 193 Cb 0.02 0.54 0.07 0.00 2.84 0.00 0.00 34.83 38.30 1xck s MET 193 CO -0.01 -0.67 0.35 -1.14 -0.65 0.00 0.00 175.02 172.90 1xck s GLN 194 N -3.91 0.27 0.29 4.11 0.74 -1.26 -0.55 119.66 119.34 1xck s GLN 194 Ca 0.12 0.83 0.11 0.00 0.05 0.00 0.00 55.36 56.47 1xck s GLN 194 Cb -0.02 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 1xck s GLN 194 CO 0.02 -0.23 -0.13 -0.59 -0.55 0.00 0.00 175.29 173.82 1xck s PHE 195 N 2.11 2.41 -1.20 1.67 -0.71 -0.33 -4.99 117.98 116.94 1xck s PHE 195 Ca -0.03 -0.34 -0.16 0.00 -1.04 0.00 0.00 56.93 55.36 1xck s PHE 195 Cb -0.11 -1.13 0.13 0.00 -1.21 0.00 0.00 43.02 40.70 1xck s PHE 195 CO -0.11 0.66 1.49 -0.51 -1.34 0.00 0.00 175.22 175.41 1xck s ASP 196 N -3.58 6.94 -0.22 1.98 1.01 -1.26 -1.67 116.67 119.87 1xck s ASP 196 Ca 0.31 -2.68 -0.17 0.00 0.71 0.00 0.00 52.55 50.72 1xck s ASP 196 Cb -0.04 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.50 1xck s ASP 196 CO 0.17 -0.93 0.57 -0.13 0.21 0.00 0.00 175.17 175.06 1xck s ARG 197 N 2.56 0.63 0.15 8.23 1.81 -1.10 -4.88 118.95 126.36 1xck s ARG 197 Ca 0.45 0.89 0.02 0.00 -1.72 0.00 0.00 55.73 55.37 1xck s ARG 197 Cb -0.01 0.22 0.02 0.00 -0.45 0.00 0.00 34.95 34.72 1xck s ARG 197 CO 0.01 -0.11 0.13 0.41 -0.68 0.00 0.00 175.30 175.06 1xck n GLY 198 N 3.40 2.79 3.76 -3.53 0.00 -1.25 -0.85 105.19 109.51 1xck n GLY 198 Ca -0.17 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 1xck n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xck s TYR 199 N -0.62 2.82 -2.00 1.61 -0.85 -0.66 -4.45 117.35 113.20 1xck s TYR 199 Ca 0.10 1.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.78 1xck s TYR 199 Cb -0.01 -3.90 0.01 0.00 0.38 0.00 0.00 41.96 38.44 1xck s TYR 199 CO 0.06 -2.76 0.72 1.28 -1.52 0.00 0.00 175.55 173.34 1xck n LEU 200 N 1.27 0.00 0.00 -3.49 4.77 -0.42 -4.71 117.00 114.42 1xck n LEU 200 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xck n LEU 200 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xck n LEU 200 CO 0.62 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.44 1xck n SER 201 N -0.51 0.00 -3.73 -1.43 2.88 -1.26 -5.08 113.62 104.50 1xck n SER 201 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xck n SER 201 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1xck n SER 201 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xck n PRO 202 N -0.42 1.76 0.00 -1.46 -0.02 -1.26 -3.66 135.00 129.94 1xck n PRO 202 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xck n PRO 202 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xck n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xck n TYR 203 N -0.29 0.00 0.17 6.00 4.01 -1.26 -4.42 117.16 121.37 1xck n TYR 203 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1xck n TYR 203 Cb 0.00 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.44 1xck n TYR 203 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xck n PHE 204 N 0.00 0.51 -2.12 -0.72 3.72 -1.24 -4.60 117.46 113.02 1xck n PHE 204 Ca 0.00 0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 1xck n PHE 204 Cb 0.00 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 37.61 1xck n PHE 204 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1xck s ILE 205 N -3.35 3.62 -0.52 4.37 1.01 -1.26 -4.62 121.20 120.44 1xck s ILE 205 Ca -0.00 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.59 1xck s ILE 205 Cb 0.05 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.99 1xck s ILE 205 CO 0.17 -0.04 0.68 -0.46 0.00 0.00 0.00 174.94 175.30 1xck n ASN 206 N 6.21 1.46 -3.38 3.58 0.23 -1.09 -4.72 115.26 117.54 1xck n ASN 206 Ca 0.15 -1.26 -0.26 0.00 -0.53 0.00 0.00 54.58 52.68 1xck n ASN 206 Cb 0.43 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 38.04 1xck n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xck n LYS 207 N 0.21 1.67 0.25 -3.83 4.76 -0.87 -4.96 118.16 115.39 1xck n LYS 207 Ca 0.03 -4.05 0.17 0.00 -2.87 0.00 0.00 58.31 51.59 1xck n LYS 207 Cb 0.13 -1.86 0.79 0.00 -1.84 0.00 0.00 35.03 32.25 1xck n LYS 207 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1xck h PRO 208 N 4.33 0.00 0.10 1.97 0.13 -1.85 0.71 132.00 137.39 1xck h PRO 208 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xck h PRO 208 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1xck h PRO 208 CO 0.66 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.32 1xck h GLU 209 N 0.00 -0.12 0.00 0.86 3.07 -1.94 -3.15 114.58 113.29 1xck h GLU 209 Ca 0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1xck h GLU 209 Cb 0.80 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1xck h GLU 209 CO -0.00 0.37 -0.09 2.41 -1.40 0.00 0.00 179.01 180.30 1xck n THR 210 N -4.89 0.49 -3.07 1.13 -1.04 -0.63 -4.92 114.28 101.35 1xck n THR 210 Ca -0.08 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.46 1xck n THR 210 Cb 0.28 -0.50 0.04 0.00 -1.82 0.00 0.00 70.33 68.33 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xck n GLY 211 N 1.34 -0.46 3.39 3.41 0.00 0.24 -4.99 105.19 108.12 1xck n GLY 211 Ca 0.05 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1xck n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xck s ALA 212 N -3.18 2.12 -0.07 4.61 0.00 -0.99 -4.62 121.76 119.63 1xck s ALA 212 Ca 0.33 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 1xck s ALA 212 Cb -0.15 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1xck s ALA 212 CO 0.41 -0.38 0.10 0.08 0.00 0.00 0.00 175.76 175.97 1xck s VAL 213 N -3.49 5.01 -0.18 0.00 1.01 -0.15 -2.05 120.40 120.56 1xck s VAL 213 Ca 0.36 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1xck s VAL 213 Cb 0.08 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1xck s VAL 213 CO 0.15 0.51 0.11 -0.70 0.00 0.00 0.00 175.10 175.17 1xck s GLU 214 N -1.30 0.08 -0.06 2.72 2.12 -1.26 -1.48 118.70 119.53 1xck s GLU 214 Ca 0.18 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.51 1xck s GLU 214 Cb -0.12 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.52 1xck s GLU 214 CO 0.08 -0.67 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.48 1xck s LEU 215 N 2.17 2.71 -0.12 2.70 1.43 -0.95 -4.96 118.68 121.66 1xck s LEU 215 Ca 0.03 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1xck s LEU 215 Cb -0.16 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1xck s LEU 215 CO -0.10 0.33 -0.11 -1.61 0.23 0.00 0.00 176.35 175.09 1xck s GLU 216 N -0.61 3.29 -1.58 1.70 2.02 -1.26 -1.67 118.70 120.58 1xck s GLU 216 Ca 0.09 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 1xck s GLU 216 Cb -0.11 -2.65 0.11 0.00 0.10 0.00 0.00 34.13 31.58 1xck s GLU 216 CO 0.01 0.30 0.92 0.43 0.02 0.00 0.00 175.26 176.94 1xck n SER 217 N 3.30 -4.31 -4.88 -0.19 7.64 0.52 -4.59 113.62 111.10 1xck n SER 217 Ca -0.18 -0.85 -0.29 0.00 1.01 0.00 0.00 58.87 58.56 1xck n SER 217 Cb 0.53 -3.55 0.09 0.00 -1.01 0.00 0.00 64.21 60.27 1xck n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xck s PRO 218 N -6.71 1.98 0.02 1.43 0.04 -1.15 -4.62 135.00 125.99 1xck s PRO 218 Ca 0.68 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 1xck s PRO 218 Cb -0.35 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1xck s PRO 218 CO 0.86 -1.60 0.17 -0.06 0.04 0.00 0.00 177.00 176.41 1xck s PHE 219 N -3.49 3.48 -0.19 0.56 0.08 -0.14 -3.18 117.98 115.10 1xck s PHE 219 Ca 0.62 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.96 1xck s PHE 219 Cb -0.12 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1xck s PHE 219 CO 0.50 0.61 -0.18 0.42 -0.10 0.00 0.00 175.22 176.46 1xck s ILE 220 N -1.38 2.13 -0.27 0.64 1.01 0.52 -0.88 121.20 122.97 1xck s ILE 220 Ca 0.30 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 1xck s ILE 220 Cb -0.13 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1xck s ILE 220 CO 0.22 0.47 0.52 -0.22 0.00 0.00 0.00 174.94 175.93 1xck s LEU 221 N 1.28 4.07 -0.57 2.97 2.96 -0.01 -0.18 118.68 129.19 1xck s LEU 221 Ca 0.04 0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1xck s LEU 221 Cb -0.14 -2.67 0.15 0.00 0.50 0.00 0.00 46.19 44.03 1xck s LEU 221 CO -0.12 -0.31 0.41 -0.76 -1.32 0.00 0.00 176.35 174.26 1xck s LEU 222 N 2.33 5.59 -0.27 -0.68 1.43 -1.26 -0.64 118.68 125.18 1xck s LEU 222 Ca 0.21 -2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 50.90 1xck s LEU 222 Cb -0.16 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xck s LEU 222 CO 0.09 -0.53 -0.03 0.00 0.23 0.00 0.00 176.35 176.12 1xck s ALA 223 N 0.63 2.77 -1.15 4.21 0.00 -0.99 0.25 121.76 127.48 1xck s ALA 223 Ca 0.12 -1.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 1xck s ALA 223 Cb -0.21 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.14 1xck s ALA 223 CO -0.03 -1.02 1.60 0.34 0.00 0.00 0.00 175.76 176.65 1xck s ASP 224 N 1.31 6.63 0.00 0.00 2.15 -0.90 -3.07 116.67 122.79 1xck s ASP 224 Ca -0.02 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 51.04 1xck s ASP 224 Cb -0.18 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1xck s ASP 224 CO -0.03 -1.38 0.00 2.29 -0.17 0.00 0.00 175.17 175.88 1xck n LYS 225 N 8.65 0.00 -2.26 4.34 -0.00 -1.26 -3.98 118.16 123.64 1xck n LYS 225 Ca 0.41 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.33 1xck n LYS 225 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.50 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xck s LYS 226 N -2.11 4.11 -0.25 -1.58 1.02 -1.26 -2.90 119.74 116.76 1xck s LYS 226 Ca 0.00 1.91 -0.01 0.00 0.02 0.00 0.00 55.97 57.89 1xck s LYS 226 Cb 0.00 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1xck s LYS 226 CO 0.00 -0.30 -0.07 0.42 -0.92 0.00 0.00 175.35 174.49 1xck s ILE 227 N -1.35 2.74 -0.02 2.17 1.01 0.98 -4.92 121.20 121.81 1xck s ILE 227 Ca 0.55 -1.15 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1xck s ILE 227 Cb -0.32 -2.43 -0.12 0.00 0.01 0.00 0.00 42.46 39.59 1xck s ILE 227 CO 0.41 0.15 0.16 -1.20 0.00 0.00 0.00 174.94 174.46 1xck n SER 228 N 4.63 3.18 -4.06 3.58 7.64 -1.26 -0.36 113.62 126.97 1xck n SER 228 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.44 1xck n SER 228 Cb 0.46 1.30 -0.17 0.00 -1.01 0.00 0.00 64.21 64.79 1xck n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xck s ASN 229 N -3.01 2.30 0.00 6.43 0.01 -1.26 -1.13 114.94 118.28 1xck s ASN 229 Ca -0.03 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1xck s ASN 229 Cb 0.05 -1.04 0.00 0.00 0.41 0.00 0.00 41.25 40.67 1xck s ASN 229 CO 0.33 0.04 0.54 0.00 -1.51 0.00 0.00 177.10 176.50 1xck n ILE 230 N 4.00 0.00 0.09 0.60 3.06 -1.26 -3.27 119.36 122.58 1xck n ILE 230 Ca -0.20 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 59.97 1xck n ILE 230 Cb 0.52 -0.26 -0.01 0.00 0.54 0.00 0.00 39.64 40.43 1xck n ILE 230 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1xck h ARG 231 N 0.14 0.18 0.00 9.51 2.43 -1.98 -3.05 114.38 121.61 1xck h ARG 231 Ca 0.00 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1xck h ARG 231 Cb 0.20 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1xck h ARG 231 CO 0.00 0.94 -0.11 0.93 -1.51 0.00 0.00 179.97 180.22 1xck h GLU 232 N 0.10 0.00 -0.03 0.20 5.08 -1.96 -3.30 114.58 114.67 1xck h GLU 232 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1xck h GLU 232 Cb 1.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.77 1xck h GLU 232 CO 0.13 0.11 -0.69 0.52 -1.00 0.00 0.00 179.01 178.08 1xck h MET 233 N 0.00 0.52 -0.47 2.33 2.86 -1.74 -3.30 114.93 115.13 1xck h MET 233 Ca -0.00 -0.52 0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1xck h MET 233 Cb 0.96 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 1xck h MET 233 CO 0.01 1.15 -0.28 1.28 1.06 0.00 0.00 176.91 180.14 1xck n LEU 234 N -4.12 -0.50 -0.31 1.22 4.77 -1.17 0.47 117.00 117.35 1xck n LEU 234 Ca -0.10 0.86 0.07 0.00 -0.03 0.00 0.00 56.01 56.82 1xck n LEU 234 Cb 0.71 -0.12 0.23 0.00 -2.33 0.00 0.00 43.42 41.91 1xck n LEU 234 CO 0.49 -0.70 1.14 1.55 -1.33 0.00 0.00 177.39 178.55 1xck h PRO 235 N 0.00 0.71 0.00 3.23 0.13 -1.82 0.91 132.00 135.15 1xck h PRO 235 Ca 0.08 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 1xck h PRO 235 Cb 0.19 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 1xck h PRO 235 CO -0.44 0.47 -1.02 0.28 -0.23 0.00 0.00 178.00 177.05 1xck h VAL 236 N 0.73 1.14 -0.17 1.56 2.07 -0.54 -2.98 116.25 118.05 1xck h VAL 236 Ca 0.47 -2.73 -0.16 0.00 0.82 0.00 0.00 66.70 65.11 1xck h VAL 236 Cb 0.61 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1xck h VAL 236 CO -0.33 0.65 -0.56 -0.07 0.02 0.00 0.00 177.57 177.28 1xck h LEU 237 N 0.00 0.57 -0.36 2.57 3.38 0.92 -2.79 115.31 119.59 1xck h LEU 237 Ca -0.07 -0.31 -0.19 0.00 0.09 0.00 0.00 57.88 57.40 1xck h LEU 237 Cb 1.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1xck h LEU 237 CO 0.09 1.01 -0.80 -0.33 0.09 0.00 0.00 178.44 178.50 1xck h GLU 238 N 0.39 0.30 0.00 1.13 5.08 -0.94 -1.27 114.58 119.28 1xck h GLU 238 Ca 0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1xck h GLU 238 Cb 1.09 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1xck h GLU 238 CO 0.10 0.96 -0.15 0.00 -1.00 0.00 0.00 179.01 178.92 1xck h ALA 239 N 0.96 1.30 0.00 3.43 0.00 -1.47 -1.67 119.26 121.80 1xck h ALA 239 Ca -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1xck h ALA 239 Cb 1.39 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1xck h ALA 239 CO 0.13 0.18 -1.30 0.28 0.00 0.00 0.00 179.25 178.54 1xck h VAL 240 N 0.00 0.70 -0.12 0.00 2.07 -1.23 -3.24 116.25 114.43 1xck h VAL 240 Ca -0.00 -2.26 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 1xck h VAL 240 Cb 0.38 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1xck h VAL 240 CO 0.02 0.40 -0.24 0.00 0.02 0.00 0.00 177.57 177.77 1xck h ALA 241 N 1.32 1.38 -2.14 1.67 0.00 -0.35 -3.11 119.26 118.03 1xck h ALA 241 Ca -0.15 -0.28 -0.46 0.00 0.00 0.00 0.00 54.91 54.02 1xck h ALA 241 Cb 1.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1xck h ALA 241 CO 0.06 0.43 0.27 0.15 0.00 0.00 0.00 179.25 180.17 1xck s LYS 242 N -4.49 4.18 0.00 0.00 1.02 -0.79 -2.72 119.74 116.95 1xck s LYS 242 Ca -0.05 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1xck s LYS 242 Cb 0.15 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1xck s LYS 242 CO 0.74 0.03 0.00 0.00 -0.92 0.00 0.00 175.35 175.20 1xck n ALA 243 N -0.53 0.00 -4.21 5.17 0.00 -1.26 -4.31 120.51 115.37 1xck n ALA 243 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1xck n ALA 243 Cb 0.54 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1xck n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 244 N -2.00 -0.12 3.60 0.00 0.00 -1.10 -4.96 105.19 100.60 1xck n GLY 244 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1xck n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xck s LYS 245 N -7.10 2.13 0.76 1.61 1.02 -1.18 -5.07 119.74 111.92 1xck s LYS 245 Ca 0.03 -1.44 -0.12 0.00 0.02 0.00 0.00 55.97 54.46 1xck s LYS 245 Cb -0.02 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1xck s LYS 245 CO 0.94 0.38 1.11 -1.25 -0.92 0.00 0.00 175.35 175.60 1xck s PRO 246 N -3.44 2.36 -0.02 -1.68 0.04 -1.26 -4.70 135.00 126.30 1xck s PRO 246 Ca 0.30 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1xck s PRO 246 Cb -0.07 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1xck s PRO 246 CO 0.18 -1.38 -0.05 -1.17 0.04 0.00 0.00 177.00 174.61 1xck s LEU 247 N -5.57 1.65 -0.27 -3.56 2.96 0.65 -0.96 118.68 113.57 1xck s LEU 247 Ca 0.60 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1xck s LEU 247 Cb -0.12 -0.39 0.02 0.00 0.50 0.00 0.00 46.19 46.19 1xck s LEU 247 CO 0.52 0.01 0.02 -0.22 -1.32 0.00 0.00 176.35 175.36 1xck s LEU 248 N 0.40 3.56 -0.24 -0.68 2.96 -0.06 -0.97 118.68 123.65 1xck s LEU 248 Ca -0.05 -0.80 -0.17 0.00 -0.22 0.00 0.00 54.13 52.90 1xck s LEU 248 Cb -0.09 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1xck s LEU 248 CO -0.00 -0.16 0.46 -0.63 -1.32 0.00 0.00 176.35 174.69 1xck s ILE 249 N 1.41 5.13 -0.48 6.68 -1.09 0.14 -0.83 121.20 132.16 1xck s ILE 249 Ca 0.01 0.79 0.04 0.00 -2.23 0.00 0.00 60.65 59.26 1xck s ILE 249 Cb -0.17 -3.78 0.12 0.00 -1.58 0.00 0.00 42.46 37.05 1xck s ILE 249 CO -0.01 0.16 0.22 -0.63 -1.23 0.00 0.00 174.94 173.44 1xck s ILE 250 N 1.90 2.46 0.47 2.92 1.01 0.19 -1.05 121.20 129.10 1xck s ILE 250 Ca 0.20 -3.09 0.03 0.00 0.00 0.00 0.00 60.65 57.79 1xck s ILE 250 Cb -0.15 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1xck s ILE 250 CO 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 174.94 174.29 1xck s ALA 251 N -0.02 3.67 0.40 9.38 0.00 -1.18 -2.35 121.76 131.67 1xck s ALA 251 Ca 0.16 -1.03 0.12 0.00 0.00 0.00 0.00 51.96 51.20 1xck s ALA 251 Cb -0.24 0.17 0.93 0.00 0.00 0.00 0.00 23.12 23.98 1xck s ALA 251 CO -0.02 -0.09 1.94 1.49 0.00 0.00 0.00 175.76 179.08 1xck h GLU 252 N 1.54 0.52 0.00 0.00 4.81 -1.45 0.11 114.58 120.11 1xck h GLU 252 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1xck h GLU 252 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xck h GLU 252 CO 0.74 0.35 0.00 -3.47 -0.73 0.00 0.00 179.01 175.89 1xck n ASP 253 N -4.49 0.00 -3.92 1.04 2.03 -1.26 -4.33 116.55 105.62 1xck n ASP 253 Ca 0.12 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.14 1xck n ASP 253 Cb 0.40 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.64 1xck n ASP 253 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xck s VAL 254 N -2.00 1.36 0.23 5.18 1.01 -1.26 -0.02 120.40 124.90 1xck s VAL 254 Ca 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1xck s VAL 254 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1xck s VAL 254 CO 0.00 -0.03 0.11 -1.61 0.00 0.00 0.00 175.10 173.57 1xck s GLU 255 N 1.49 2.68 0.00 2.72 2.02 0.52 -4.59 118.70 123.54 1xck s GLU 255 Ca -0.03 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1xck s GLU 255 Cb -0.18 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1xck s GLU 255 CO -0.07 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1xck n GLY 256 N -0.84 0.00 0.34 -1.39 0.00 -1.26 -1.66 105.19 100.38 1xck n GLY 256 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1xck n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xck n GLU 257 N 0.00 -0.28 -0.02 1.61 0.00 -1.21 0.57 120.64 121.31 1xck n GLU 257 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 57.16 58.33 1xck n GLU 257 Cb 0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 31.44 29.44 1xck n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xck h ALA 258 N 0.85 0.08 -0.76 4.31 0.00 -0.19 -2.45 119.26 121.10 1xck h ALA 258 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 258 Cb 0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1xck h ALA 258 CO -0.82 -0.23 0.41 1.25 0.00 0.00 0.00 179.25 179.86 1xck h LEU 259 N -0.20 0.96 -0.61 0.00 5.85 -0.80 -1.34 115.31 119.17 1xck h LEU 259 Ca 0.02 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1xck h LEU 259 Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1xck h LEU 259 CO 0.00 0.79 -0.00 0.00 -0.34 0.00 0.00 178.44 178.89 1xck h ALA 260 N 1.21 0.82 -0.23 1.25 0.00 0.09 -1.05 119.26 121.36 1xck h ALA 260 Ca 0.27 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1xck h ALA 260 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xck h ALA 260 CO -0.04 0.67 -0.26 1.15 0.00 0.00 0.00 179.25 180.77 1xck h THR 261 N 0.98 1.26 -0.15 0.00 2.02 -1.14 -2.26 112.91 113.63 1xck h THR 261 Ca 0.17 -1.26 -0.17 0.00 0.77 0.00 0.00 66.41 65.92 1xck h THR 261 Cb 0.56 1.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1xck h THR 261 CO 0.03 0.40 -0.56 -0.07 0.37 0.00 0.00 175.52 175.69 1xck h LEU 262 N 0.39 0.75 -1.61 2.58 3.38 -1.02 -1.56 115.31 118.22 1xck h LEU 262 Ca 0.06 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1xck h LEU 262 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xck h LEU 262 CO 0.05 1.24 0.30 0.58 0.09 0.00 0.00 178.44 180.69 1xck h VAL 263 N 0.31 1.05 0.04 1.22 2.07 -1.06 -2.34 116.25 117.54 1xck h VAL 263 Ca -0.03 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1xck h VAL 263 Cb 1.19 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1xck h VAL 263 CO 0.12 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 178.36 1xck h VAL 264 N 0.51 0.00 -0.95 2.57 2.07 -1.32 -2.99 116.25 116.14 1xck h VAL 264 Ca 0.18 -0.35 0.26 0.00 0.82 0.00 0.00 66.70 67.60 1xck h VAL 264 Cb 0.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.71 1xck h VAL 264 CO -0.04 0.00 0.45 0.78 0.02 0.00 0.00 177.57 178.78 1xck h ASN 265 N -0.40 0.38 0.86 0.57 -0.26 -1.31 0.35 115.58 115.77 1xck h ASN 265 Ca -0.00 0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.78 1xck h ASN 265 Cb 0.04 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1xck h ASN 265 CO 0.01 -0.06 -0.60 0.71 -1.06 0.00 0.00 177.43 176.43 1xck h THR 266 N 0.37 1.25 -0.03 2.81 1.35 -1.51 -0.92 112.91 116.23 1xck h THR 266 Ca 0.63 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1xck h THR 266 Cb 1.31 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1xck h THR 266 CO -0.57 0.59 0.00 0.80 -0.25 0.00 0.00 175.52 176.08 1xck n MET 267 N -3.57 1.09 -0.04 4.72 0.00 0.11 -2.74 117.12 116.70 1xck n MET 267 Ca -0.00 -0.14 0.01 0.00 -0.00 0.00 0.00 57.70 57.57 1xck n MET 267 Cb 0.66 -1.19 0.01 0.00 0.00 0.00 0.00 33.22 32.70 1xck n MET 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1xck n ARG 268 N -0.54 1.58 -0.58 2.12 1.74 -0.74 -4.99 116.66 115.26 1xck n ARG 268 Ca 0.09 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.94 1xck n ARG 268 Cb 0.07 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1xck n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xck n GLY 269 N -0.39 1.24 2.49 -0.13 0.00 -1.11 -4.88 105.19 102.42 1xck n GLY 269 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xck n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xck n ILE 270 N -2.00 3.70 -0.17 -0.61 5.41 -0.38 -4.68 119.36 120.63 1xck n ILE 270 Ca 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 62.75 61.30 1xck n ILE 270 Cb 0.00 -2.53 0.00 0.00 -0.71 0.00 0.00 39.64 36.40 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 4.14 -1.04 -2.72 1.39 0.31 -1.26 -4.43 118.33 114.72 1xck n VAL 271 Ca 0.66 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.56 1xck n VAL 271 Cb 0.26 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.12 1xck n VAL 271 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xck s LYS 272 N -3.65 4.26 0.04 5.55 3.01 -1.26 -3.77 119.74 123.92 1xck s LYS 272 Ca 0.00 1.27 0.01 0.00 -1.01 0.00 0.00 55.97 56.24 1xck s LYS 272 Cb 0.00 -3.63 -0.02 0.00 -1.01 0.00 0.00 37.83 33.17 1xck s LYS 272 CO 0.00 -0.57 -0.06 0.08 0.51 0.00 0.00 175.35 175.31 1xck s VAL 273 N 2.97 0.41 -0.09 3.17 1.01 -1.26 -0.25 120.40 126.37 1xck s VAL 273 Ca 0.42 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1xck s VAL 273 Cb -0.15 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1xck s VAL 273 CO 0.08 -0.46 0.22 0.00 0.00 0.00 0.00 175.10 174.94 1xck s ALA 274 N -1.58 -0.53 0.02 5.51 0.00 -0.14 -4.87 121.76 120.17 1xck s ALA 274 Ca -0.10 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.66 1xck s ALA 274 Cb -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1xck s ALA 274 CO -0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 175.76 175.39 1xck s ALA 275 N 0.49 1.96 -0.01 0.00 0.00 -1.26 0.28 121.76 123.23 1xck s ALA 275 Ca -0.03 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 1xck s ALA 275 Cb -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1xck s ALA 275 CO -0.02 0.46 0.18 0.14 0.00 0.00 0.00 175.76 176.52 1xck s VAL 276 N -0.71 0.07 0.66 0.00 -7.23 -0.21 -1.30 120.40 111.68 1xck s VAL 276 Ca 0.09 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.51 1xck s VAL 276 Cb -0.09 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1xck s VAL 276 CO 0.01 -0.33 1.13 -0.54 -0.31 0.00 0.00 175.10 175.06 1xck s LYS 277 N -1.29 2.72 0.40 4.82 1.02 -1.26 -3.08 119.74 123.06 1xck s LYS 277 Ca -0.14 1.46 -0.24 0.00 0.02 0.00 0.00 55.97 57.07 1xck s LYS 277 Cb -0.07 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.22 1xck s LYS 277 CO 0.02 -1.33 1.09 0.00 -0.92 0.00 0.00 175.35 174.21 1xck s ALA 278 N -2.25 3.11 0.58 5.17 0.00 0.38 -4.78 121.76 123.97 1xck s ALA 278 Ca 0.68 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.24 1xck s ALA 278 Cb -0.22 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1xck s ALA 278 CO 0.41 -0.33 1.31 -1.25 0.00 0.00 0.00 175.76 175.91 1xck s PRO 279 N -2.40 2.96 1.90 0.00 0.04 -1.26 -4.82 135.00 131.41 1xck s PRO 279 Ca 0.57 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1xck s PRO 279 Cb -0.25 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1xck s PRO 279 CO 0.32 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1xck n GLY 280 N 0.74 -0.98 3.32 0.56 0.00 -1.26 -4.39 105.19 103.18 1xck n GLY 280 Ca 0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N 0.00 0.83 0.00 1.61 -0.71 -1.26 -4.79 117.98 113.66 1xck s PHE 281 Ca 0.00 -1.12 0.00 0.00 -1.04 0.00 0.00 56.93 54.77 1xck s PHE 281 Cb 0.00 -0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.52 1xck s PHE 281 CO 0.00 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.56 1xck n GLY 282 N -0.28 2.92 0.41 1.99 0.00 -1.26 -2.80 105.19 106.17 1xck n GLY 282 Ca -0.01 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1xck n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xck h ASP 283 N 9.56 -0.84 0.00 1.61 3.32 -2.00 -2.51 116.42 125.55 1xck h ASP 283 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xck h ASP 283 Cb 0.00 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xck h ASP 283 CO 0.00 -0.54 0.24 -2.11 -1.72 0.00 0.00 179.24 175.11 1xck n ARG 284 N -5.48 0.09 0.09 3.56 1.85 -1.24 0.59 116.66 116.11 1xck n ARG 284 Ca -0.14 0.55 -0.14 0.00 -1.00 0.00 0.00 57.85 57.13 1xck n ARG 284 Cb 0.41 -2.02 -0.13 0.00 -1.05 0.00 0.00 32.46 29.66 1xck n ARG 284 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1xck h ARG 285 N 0.00 0.20 0.01 2.89 2.43 -1.27 -2.61 114.38 116.03 1xck h ARG 285 Ca 0.00 -0.34 -0.20 0.00 -0.81 0.00 0.00 59.98 58.62 1xck h ARG 285 Cb 0.48 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1xck h ARG 285 CO 0.00 1.16 -0.90 0.87 -1.51 0.00 0.00 179.97 179.59 1xck h LYS 286 N 0.05 0.21 0.11 0.20 1.57 0.20 -2.30 116.57 116.61 1xck h LYS 286 Ca -0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1xck h LYS 286 Cb 1.92 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1xck h LYS 286 CO 0.18 0.98 -0.05 0.00 -0.57 0.00 0.00 179.45 179.99 1xck h ALA 287 N 0.94 -0.15 -0.40 3.86 0.00 -1.37 -2.96 119.26 119.18 1xck h ALA 287 Ca -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1xck h ALA 287 Cb 1.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1xck h ALA 287 CO 0.14 -0.47 0.05 0.52 0.00 0.00 0.00 179.25 179.49 1xck h MET 288 N -0.38 0.61 -0.38 0.00 2.86 -1.50 -1.82 114.93 114.33 1xck h MET 288 Ca -0.02 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 288 Cb 0.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1xck h MET 288 CO 0.03 0.59 0.25 1.25 1.06 0.00 0.00 176.91 180.09 1xck h LEU 289 N 0.59 0.42 -0.16 1.22 6.46 -1.34 0.16 115.31 122.66 1xck h LEU 289 Ca 0.13 -0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.70 1xck h LEU 289 Cb 0.29 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1xck h LEU 289 CO 0.00 0.30 -0.60 -0.61 -0.62 0.00 0.00 178.44 176.92 1xck h GLN 290 N 0.50 0.69 -0.41 1.25 5.75 -1.19 -2.07 115.11 119.63 1xck h GLN 290 Ca 0.14 -0.53 0.08 0.00 -0.15 0.00 0.00 58.65 58.19 1xck h GLN 290 Cb -0.04 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.53 1xck h GLN 290 CO -0.03 1.15 -0.11 -0.44 -2.65 0.00 0.00 178.83 176.75 1xck h ASP 291 N 0.38 -0.40 -1.00 -0.69 5.19 -0.40 0.19 116.42 119.70 1xck h ASP 291 Ca -0.03 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1xck h ASP 291 Cb 1.23 0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 1xck h ASP 291 CO 0.13 -0.14 0.66 0.40 -3.12 0.00 0.00 179.24 177.16 1xck h ILE 292 N -0.01 1.21 0.12 0.35 2.04 -0.96 -1.65 117.51 118.62 1xck h ILE 292 Ca 0.20 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1xck h ILE 292 Cb 0.31 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1xck h ILE 292 CO -0.43 0.24 -0.06 0.00 0.00 0.00 0.00 178.15 177.90 1xck h ALA 293 N 1.40 -0.17 -0.53 1.87 0.00 -0.08 -0.38 119.26 121.38 1xck h ALA 293 Ca 0.38 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1xck h ALA 293 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 293 CO -0.10 -0.58 0.27 1.15 0.00 0.00 0.00 179.25 179.99 1xck h THR 294 N -0.19 0.96 -0.66 0.00 2.02 -0.44 0.64 112.91 115.24 1xck h THR 294 Ca -0.02 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1xck h THR 294 Cb 0.15 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1xck h THR 294 CO 0.03 0.10 0.31 0.25 0.37 0.00 0.00 175.52 176.57 1xck h LEU 295 N 0.53 0.87 -0.38 2.58 7.12 -1.11 -3.00 115.31 121.92 1xck h LEU 295 Ca 0.23 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1xck h LEU 295 Cb 0.14 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1xck h LEU 295 CO -0.16 0.77 -0.42 0.35 -0.13 0.00 0.00 178.44 178.84 1xck n THR 296 N -4.46 0.00 -2.95 1.05 -2.24 -0.17 -0.98 114.28 104.53 1xck n THR 296 Ca 0.05 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1xck n THR 296 Cb 0.14 0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1xck n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 297 N 1.41 0.20 3.75 3.38 0.00 0.20 -0.76 105.19 113.37 1xck n GLY 297 Ca 0.09 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1xck n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xck s GLY 298 N -3.26 2.96 -0.15 -0.02 0.00 -0.09 -4.48 107.32 102.28 1xck s GLY 298 Ca 0.22 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.35 1xck s GLY 298 CO 0.35 -2.19 -0.18 -1.59 0.00 0.00 0.00 173.10 169.49 1xck s THR 299 N -2.86 2.40 -0.03 0.90 2.01 0.35 -4.52 115.64 113.90 1xck s THR 299 Ca 0.09 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1xck s THR 299 Cb 0.03 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1xck s THR 299 CO 0.05 0.53 1.35 -0.69 -0.69 0.00 0.00 174.62 175.16 1xck s VAL 300 N 0.85 3.88 -0.82 3.82 1.01 -1.26 -4.52 120.40 123.36 1xck s VAL 300 Ca -0.05 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 1xck s VAL 300 Cb -0.15 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.61 1xck s VAL 300 CO -0.02 -0.01 0.87 -0.63 0.00 0.00 0.00 175.10 175.32 1xck s ILE 301 N 2.46 5.21 -0.11 2.22 1.01 0.14 -4.94 121.20 127.18 1xck s ILE 301 Ca 0.61 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 1xck s ILE 301 Cb -0.29 -4.57 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 1xck s ILE 301 CO 0.25 -1.20 0.12 -0.94 0.00 0.00 0.00 174.94 173.17 1xck s SER 302 N 2.88 6.22 0.34 3.58 1.04 -1.26 -2.11 113.70 124.39 1xck s SER 302 Ca 0.22 0.42 0.12 0.00 0.48 0.00 0.00 55.95 57.18 1xck s SER 302 Cb -0.11 -1.98 0.60 0.00 0.10 0.00 0.00 66.02 64.64 1xck s SER 302 CO -0.07 0.40 1.76 -0.33 0.98 0.00 0.00 173.24 175.99 1xck h GLU 303 N 5.00 0.02 -0.14 4.02 5.08 -1.77 -2.44 114.58 124.35 1xck h GLU 303 Ca -0.54 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1xck h GLU 303 Cb 1.22 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1xck h GLU 303 CO 0.57 0.45 -0.45 0.93 -1.00 0.00 0.00 179.01 179.52 1xck h GLU 304 N 0.01 -0.45 0.00 2.33 5.08 -1.91 0.64 114.58 120.29 1xck h GLU 304 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 304 Cb 0.79 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1xck h GLU 304 CO 0.06 -0.30 0.00 -0.89 -1.00 0.00 0.00 179.01 176.88 1xck n ILE 305 N -4.93 0.00 -2.50 3.13 5.41 -1.22 -4.81 119.36 114.44 1xck n ILE 305 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.67 1xck n ILE 305 Cb 0.31 -0.84 0.01 0.00 -0.71 0.00 0.00 39.64 38.41 1xck n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xck n GLY 306 N -0.41 0.54 3.90 7.39 0.00 0.22 -5.07 105.19 111.78 1xck n GLY 306 Ca 0.07 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1xck n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 307 N -4.81 3.16 -0.01 1.61 -1.94 -0.92 -5.01 119.30 111.37 1xck s MET 307 Ca 0.06 -0.94 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1xck s MET 307 Cb -0.03 -2.72 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 1xck s MET 307 CO 0.12 0.37 -0.07 -1.21 -0.01 0.00 0.00 175.02 174.22 1xck s GLU 308 N -3.94 0.56 0.42 2.03 2.02 -1.26 -4.41 118.70 114.12 1xck s GLU 308 Ca 0.35 -0.25 0.11 0.00 0.02 0.00 0.00 54.97 55.20 1xck s GLU 308 Cb -0.08 -0.55 0.91 0.00 0.10 0.00 0.00 34.13 34.51 1xck s GLU 308 CO 0.27 0.15 1.98 -0.07 0.02 0.00 0.00 175.26 177.61 1xck h LEU 309 N 5.98 0.17 -1.83 1.80 3.38 -1.94 -1.58 115.31 121.31 1xck h LEU 309 Ca -0.29 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1xck h LEU 309 Cb 1.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xck h LEU 309 CO 0.50 0.28 -0.13 -0.33 0.09 0.00 0.00 178.44 178.85 1xck h GLU 310 N 0.19 0.00 -0.52 1.13 3.07 -1.94 -2.04 114.58 114.47 1xck h GLU 310 Ca 0.04 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1xck h GLU 310 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1xck h GLU 310 CO 0.01 0.13 0.02 1.63 -1.40 0.00 0.00 179.01 179.41 1xck n LYS 311 N -3.64 4.34 -3.62 2.33 5.02 -0.60 -4.83 118.16 117.16 1xck n LYS 311 Ca -0.02 -3.09 -0.36 0.00 -2.02 0.00 0.00 58.31 52.81 1xck n LYS 311 Cb 0.26 -2.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.03 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck s ALA 312 N -2.82 3.67 0.38 7.82 0.00 -0.77 -4.94 121.76 125.11 1xck s ALA 312 Ca 0.52 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1xck s ALA 312 Cb 0.40 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1xck s ALA 312 CO 0.14 0.25 0.17 0.95 0.00 0.00 0.00 175.76 177.27 1xck s THR 313 N -0.02 2.58 0.47 0.00 -4.23 -1.26 -4.42 115.64 108.76 1xck s THR 313 Ca 0.16 -1.68 0.27 0.00 -1.18 0.00 0.00 61.69 59.25 1xck s THR 313 Cb -0.13 -2.97 0.46 0.00 1.34 0.00 0.00 72.50 71.19 1xck s THR 313 CO 0.04 -0.07 1.81 -0.07 -0.54 0.00 0.00 174.62 175.79 1xck h LEU 314 N 1.46 0.23 -1.57 4.79 3.38 -1.94 0.11 115.31 121.76 1xck h LEU 314 Ca -0.43 0.04 0.13 0.00 0.09 0.00 0.00 57.88 57.71 1xck h LEU 314 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1xck h LEU 314 CO 0.66 0.05 0.47 -0.08 0.09 0.00 0.00 178.44 179.63 1xck h GLU 315 N 0.20 0.43 0.00 1.13 4.81 -2.00 -0.38 114.58 118.78 1xck h GLU 315 Ca 0.55 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.66 1xck h GLU 315 Cb 1.77 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1xck h GLU 315 CO -0.15 0.29 -0.46 -0.44 -0.73 0.00 0.00 179.01 177.52 1xck h ASP 316 N 0.45 0.00 -3.97 1.04 3.32 -1.15 -3.44 116.42 112.66 1xck h ASP 316 Ca 0.34 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.86 1xck h ASP 316 Cb 0.70 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.34 1xck h ASP 316 CO -0.11 0.46 0.59 -0.76 -1.72 0.00 0.00 179.24 177.70 1xck s LEU 317 N -6.71 4.13 0.79 1.55 1.02 -0.15 0.13 118.68 119.44 1xck s LEU 317 Ca 0.02 2.62 -0.07 0.00 0.02 0.00 0.00 54.13 56.72 1xck s LEU 317 Cb 0.09 -4.01 0.13 0.00 0.02 0.00 0.00 46.19 42.42 1xck s LEU 317 CO 0.72 -0.97 1.10 -0.83 0.02 0.00 0.00 176.35 176.39 1xck s GLY 318 N -0.86 1.75 -0.08 -3.19 0.00 0.74 -4.41 107.32 101.27 1xck s GLY 318 Ca 0.60 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 1xck s GLY 318 CO 0.47 -0.75 0.39 1.62 0.00 0.00 0.00 173.10 174.83 1xck s GLN 319 N -5.41 0.62 0.01 2.90 0.74 0.06 -0.35 119.66 118.23 1xck s GLN 319 Ca 0.67 0.18 -0.19 0.00 0.05 0.00 0.00 55.36 56.07 1xck s GLN 319 Cb -0.06 0.29 0.04 0.00 1.10 0.00 0.00 33.01 34.37 1xck s GLN 319 CO 0.47 -0.14 0.43 0.00 -0.55 0.00 0.00 175.29 175.49 1xck s ALA 320 N -0.64 -1.07 0.38 1.58 0.00 -1.19 -1.05 121.76 119.77 1xck s ALA 320 Ca -0.07 0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.47 1xck s ALA 320 Cb -0.04 0.21 0.75 0.00 0.00 0.00 0.00 23.12 24.04 1xck s ALA 320 CO 0.03 -0.38 1.89 0.87 0.00 0.00 0.00 175.76 178.17 1xck h LYS 321 N 3.27 0.20 -1.61 0.00 1.57 -0.79 -3.03 116.57 116.18 1xck h LYS 321 Ca -0.30 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1xck h LYS 321 Cb 1.19 -0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.21 1xck h LYS 321 CO 0.42 0.39 0.44 0.50 -0.57 0.00 0.00 179.45 180.63 1xck s ARG 322 N -4.60 0.51 0.05 3.15 3.52 -1.00 -0.35 118.95 120.23 1xck s ARG 322 Ca -0.05 0.61 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 1xck s ARG 322 Cb 0.15 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 1xck s ARG 322 CO 0.73 -0.06 -0.15 0.14 -0.81 0.00 0.00 175.30 175.15 1xck s VAL 323 N 0.24 1.21 -0.05 7.11 -7.23 -0.67 0.72 120.40 121.72 1xck s VAL 323 Ca 0.03 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1xck s VAL 323 Cb -0.05 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.81 1xck s VAL 323 CO -0.06 -0.02 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.94 1xck s VAL 324 N -0.93 0.80 -0.10 1.32 1.01 0.10 -2.23 120.40 120.37 1xck s VAL 324 Ca 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1xck s VAL 324 Cb -0.08 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1xck s VAL 324 CO 0.02 0.28 -0.24 -0.63 0.00 0.00 0.00 175.10 174.53 1xck s ILE 325 N 0.77 2.04 0.00 2.22 1.01 -0.55 -0.75 121.20 125.94 1xck s ILE 325 Ca -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1xck s ILE 325 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1xck s ILE 325 CO 0.02 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.10 1xck n ASN 326 N 3.51 0.16 0.14 3.58 3.02 0.25 -0.97 115.26 124.93 1xck n ASN 326 Ca -0.19 -0.21 0.01 0.00 -0.03 0.00 0.00 54.58 54.16 1xck n ASN 326 Cb 0.53 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.82 1xck n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xck h LYS 327 N 0.00 0.00 0.00 3.52 3.64 -1.92 -1.77 116.57 120.04 1xck h LYS 327 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xck h LYS 327 Cb 0.00 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.62 1xck h LYS 327 CO 0.00 0.58 -0.64 -0.40 -2.27 0.00 0.00 179.45 176.72 1xck n ASP 328 N -3.44 0.24 -3.70 4.20 5.68 -1.26 -3.84 116.55 114.42 1xck n ASP 328 Ca 0.00 -1.89 -0.11 0.00 -0.50 0.00 0.00 54.79 52.29 1xck n ASP 328 Cb 0.68 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 40.43 1xck n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xck s THR 329 N 0.00 -0.04 -0.17 2.12 2.01 -0.84 -2.69 115.64 116.02 1xck s THR 329 Ca 0.15 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1xck s THR 329 Cb 0.17 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1xck s THR 329 CO -0.08 0.05 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.84 1xck s THR 330 N 1.39 2.40 -0.11 -0.82 2.01 -0.03 0.84 115.64 121.32 1xck s THR 330 Ca -0.09 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1xck s THR 330 Cb -0.09 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.43 1xck s THR 330 CO -0.12 0.52 -0.12 0.28 -0.69 0.00 0.00 174.62 174.49 1xck s THR 331 N 1.06 1.33 -0.28 -0.82 -1.32 0.07 -1.19 115.64 114.49 1xck s THR 331 Ca -0.01 -0.52 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 1xck s THR 331 Cb -0.14 -1.25 -0.05 0.00 -1.51 0.00 0.00 72.50 69.55 1xck s THR 331 CO -0.05 0.41 0.25 -0.63 -2.21 0.00 0.00 174.62 172.39 1xck s ILE 332 N 1.25 5.27 -0.25 5.08 1.01 0.29 -0.73 121.20 133.12 1xck s ILE 332 Ca -0.02 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 1xck s ILE 332 Cb -0.14 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1xck s ILE 332 CO -0.05 0.22 0.08 -0.63 0.00 0.00 0.00 174.94 174.56 1xck s ILE 333 N 1.86 4.36 -0.39 2.92 1.01 0.22 -1.67 121.20 129.50 1xck s ILE 333 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1xck s ILE 333 Cb -0.16 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1xck s ILE 333 CO 0.11 0.34 0.42 -0.67 0.00 0.00 0.00 174.94 175.13 1xck n ASP 334 N 4.92 -8.00 -4.82 3.58 2.03 0.17 -2.24 116.55 112.19 1xck n ASP 334 Ca -0.16 0.81 -0.36 0.00 0.52 0.00 0.00 54.79 55.61 1xck n ASP 334 Cb 0.51 -5.40 -0.06 0.00 -0.72 0.00 0.00 41.12 35.46 1xck n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xck s GLY 335 N -2.32 2.58 0.00 0.27 0.00 -0.49 -1.45 107.32 105.91 1xck s GLY 335 Ca 0.17 0.11 0.12 0.00 0.00 0.00 0.00 44.72 45.13 1xck s GLY 335 CO 0.78 0.45 1.16 -0.62 0.00 0.00 0.00 173.10 174.86 1xck n VAL 336 N 0.69 0.00 -1.55 1.40 0.31 -0.21 -4.79 118.33 114.17 1xck n VAL 336 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1xck n VAL 336 Cb 0.51 -0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1xck n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xck n GLY 337 N -0.22 -0.68 3.71 2.92 0.00 -0.15 -4.72 105.19 106.06 1xck n GLY 337 Ca 0.09 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1xck n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 338 N -1.67 4.51 0.56 1.61 0.41 -1.26 -4.90 118.70 117.96 1xck s GLU 338 Ca 0.62 1.59 0.33 0.00 -0.41 0.00 0.00 54.97 57.10 1xck s GLU 338 Cb -0.64 -3.40 1.46 0.00 -1.78 0.00 0.00 34.13 29.77 1xck s GLU 338 CO 0.58 -0.13 1.77 0.93 -0.49 0.00 0.00 175.26 177.93 1xck h GLU 339 N 6.68 0.00 0.20 1.61 4.39 -1.97 0.19 114.58 125.68 1xck h GLU 339 Ca -0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1xck h GLU 339 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1xck h GLU 339 CO 0.77 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 178.53 1xck h ALA 340 N 1.32 -0.26 0.06 3.43 0.00 -1.98 -2.07 119.26 119.77 1xck h ALA 340 Ca 0.46 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1xck h ALA 340 Cb 2.04 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1xck h ALA 340 CO -0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 179.25 178.59 1xck h ALA 341 N -0.57 -0.58 0.27 0.00 0.00 -1.11 0.28 119.26 117.56 1xck h ALA 341 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 341 Cb 0.47 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xck h ALA 341 CO 0.04 -0.89 -0.29 0.82 0.00 0.00 0.00 179.25 178.94 1xck h ILE 342 N -0.55 0.39 0.00 0.00 2.04 -1.09 0.74 117.51 119.04 1xck h ILE 342 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1xck h ILE 342 Cb 0.61 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1xck h ILE 342 CO -0.25 0.00 -0.02 -0.61 0.00 0.00 0.00 178.15 177.27 1xck h GLN 343 N -0.60 0.00 -0.17 2.37 5.75 -1.23 -1.35 115.11 119.89 1xck h GLN 343 Ca -0.01 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1xck h GLN 343 Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1xck h GLN 343 CO -0.07 0.02 -0.07 0.78 -2.65 0.00 0.00 178.83 176.84 1xck h GLY 344 N 0.08 0.39 1.10 2.39 0.00 0.51 -2.71 103.07 104.83 1xck h GLY 344 Ca -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1xck h GLY 344 CO 0.00 0.31 0.55 -0.09 0.00 0.00 0.00 176.54 177.31 1xck h ARG 345 N 0.04 1.02 -0.35 4.80 9.65 0.16 -0.55 114.38 129.15 1xck h ARG 345 Ca 0.04 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1xck h ARG 345 Cb 0.54 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1xck h ARG 345 CO 0.02 0.67 0.14 0.28 2.80 0.00 0.00 179.97 183.89 1xck h VAL 346 N 1.05 1.14 0.47 0.20 2.07 -1.18 -2.44 116.25 117.54 1xck h VAL 346 Ca 0.32 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1xck h VAL 346 Cb -0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xck h VAL 346 CO -0.09 0.16 -0.22 0.00 0.02 0.00 0.00 177.57 177.44 1xck h ALA 347 N 1.67 -0.63 -0.01 1.67 0.00 -0.78 0.43 119.26 121.61 1xck h ALA 347 Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 347 Cb 0.10 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1xck h ALA 347 CO -0.01 -0.81 -0.39 1.96 0.00 0.00 0.00 179.25 180.00 1xck h GLN 348 N -0.72 -0.52 -0.72 0.00 4.20 -1.23 0.91 115.11 117.04 1xck h GLN 348 Ca -0.06 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.77 1xck h GLN 348 Cb 0.53 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 1xck h GLN 348 CO 0.11 -0.35 0.47 0.82 -0.67 0.00 0.00 178.83 179.21 1xck h ILE 349 N -0.54 0.95 0.00 2.54 2.04 -1.43 0.33 117.51 121.41 1xck h ILE 349 Ca 0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1xck h ILE 349 Cb 0.63 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1xck h ILE 349 CO -0.31 0.12 0.00 -0.09 0.00 0.00 0.00 178.15 177.87 1xck h ARG 350 N 0.64 0.00 0.18 2.37 2.43 0.14 -2.88 114.38 117.27 1xck h ARG 350 Ca 0.33 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.25 1xck h ARG 350 Cb 0.43 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1xck h ARG 350 CO -0.11 0.00 -1.07 1.96 -1.51 0.00 0.00 179.97 179.23 1xck h GLN 351 N 0.00 0.39 -0.85 0.20 1.08 0.20 -3.26 115.11 112.87 1xck h GLN 351 Ca 0.00 -0.67 0.13 0.00 -1.45 0.00 0.00 58.65 56.66 1xck h GLN 351 Cb 0.76 0.25 -0.06 0.00 -0.05 0.00 0.00 27.48 28.37 1xck h GLN 351 CO 0.00 1.32 0.55 1.96 -0.95 0.00 0.00 178.83 181.71 1xck h GLN 352 N -0.18 0.67 0.00 1.46 1.08 -0.65 0.53 115.11 118.02 1xck h GLN 352 Ca -0.19 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1xck h GLN 352 Cb 1.84 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1xck h GLN 352 CO 0.20 0.44 -0.00 0.82 -0.95 0.00 0.00 178.83 179.33 1xck h ILE 353 N 0.69 0.98 0.05 2.54 2.04 -1.55 -0.77 117.51 121.49 1xck h ILE 353 Ca 0.41 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1xck h ILE 353 Cb 0.63 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1xck h ILE 353 CO -0.17 0.00 -0.03 -0.33 0.00 0.00 0.00 178.15 177.62 1xck h GLU 354 N 0.00 -0.07 -0.08 2.37 4.39 -1.01 -3.18 114.58 117.00 1xck h GLU 354 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xck h GLU 354 Cb 0.01 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1xck h GLU 354 CO 0.00 0.54 0.00 0.39 -1.16 0.00 0.00 179.01 178.78 1xck n GLU 355 N -4.77 0.59 -2.47 2.33 1.02 -0.97 -4.77 120.64 111.61 1xck n GLU 355 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 1xck n GLU 355 Cb 0.31 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck s ALA 356 N -1.86 3.58 -1.64 0.62 0.00 -0.33 -4.90 121.76 117.23 1xck s ALA 356 Ca 0.00 0.29 0.27 0.00 0.00 0.00 0.00 51.96 52.52 1xck s ALA 356 Cb 0.00 -3.65 0.84 0.00 0.00 0.00 0.00 23.12 20.30 1xck s ALA 356 CO 0.00 -1.33 1.62 0.25 0.00 0.00 0.00 175.76 176.30 1xck n THR 357 N 5.61 0.00 -4.15 0.00 -2.24 -1.26 -4.92 114.28 107.32 1xck n THR 357 Ca 0.14 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1xck n THR 357 Cb 0.46 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1xck n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xck s SER 358 N -2.56 0.58 -0.07 3.42 0.15 -1.26 -5.08 113.70 108.88 1xck s SER 358 Ca 0.24 -1.13 -0.22 0.00 0.70 0.00 0.00 55.95 55.54 1xck s SER 358 Cb 0.19 0.22 -0.18 0.00 -1.71 0.00 0.00 66.02 64.55 1xck s SER 358 CO 0.53 -0.65 0.84 0.44 1.20 0.00 0.00 173.24 175.60 1xck h ASP 359 N 2.92 -0.10 -0.65 5.45 3.32 -1.99 -2.82 116.42 122.55 1xck h ASP 359 Ca -0.35 -0.50 0.13 0.00 0.02 0.00 0.00 57.03 56.33 1xck h ASP 359 Cb 1.18 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 1xck h ASP 359 CO 0.62 0.55 -0.21 0.22 -1.72 0.00 0.00 179.24 178.70 1xck h TYR 360 N -0.85 -0.49 -0.18 4.55 3.20 -1.99 0.81 116.97 122.03 1xck h TYR 360 Ca -0.01 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1xck h TYR 360 Cb 0.59 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1xck h TYR 360 CO 0.13 -0.31 0.12 -0.44 -1.64 0.00 0.00 178.16 176.01 1xck h ASP 361 N -0.04 0.13 -0.04 -2.11 5.19 -1.99 -1.65 116.42 115.91 1xck h ASP 361 Ca 0.30 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.58 1xck h ASP 361 Cb 0.51 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1xck h ASP 361 CO -0.69 0.09 -0.51 -0.09 -3.12 0.00 0.00 179.24 174.93 1xck h ARG 362 N 0.15 0.41 0.26 3.56 2.43 0.69 -2.87 114.38 119.02 1xck h ARG 362 Ca 0.07 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1xck h ARG 362 Cb 0.10 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1xck h ARG 362 CO -0.01 1.05 -0.25 0.93 -1.51 0.00 0.00 179.97 180.17 1xck h GLU 363 N -0.09 -0.52 -0.96 0.20 4.39 0.25 -1.75 114.58 116.10 1xck h GLU 363 Ca -0.05 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1xck h GLU 363 Cb 1.19 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.88 1xck h GLU 363 CO 0.10 -0.35 0.59 0.87 -1.16 0.00 0.00 179.01 179.06 1xck h LYS 364 N -0.54 0.90 -0.58 2.33 1.79 -1.42 -0.99 116.57 118.05 1xck h LYS 364 Ca -0.01 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 1xck h LYS 364 Cb 0.50 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1xck h LYS 364 CO -0.05 0.59 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.79 1xck h LEU 365 N 0.92 1.06 -0.91 2.94 3.38 -1.26 -2.77 115.31 118.67 1xck h LEU 365 Ca 0.48 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1xck h LEU 365 Cb 0.48 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xck h LEU 365 CO -0.27 1.13 0.36 1.56 0.09 0.00 0.00 178.44 181.31 1xck h GLN 366 N 0.96 1.15 -0.54 1.13 1.08 -0.38 -2.19 115.11 116.32 1xck h GLN 366 Ca 0.16 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1xck h GLN 366 Cb 0.62 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 1xck h GLN 366 CO 0.04 0.89 0.30 0.93 -0.95 0.00 0.00 178.83 180.05 1xck h GLU 367 N 1.13 0.58 -0.65 1.46 5.08 -1.01 -0.37 114.58 120.79 1xck h GLU 367 Ca 0.27 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1xck h GLU 367 Cb 0.14 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xck h GLU 367 CO -0.03 0.38 0.16 0.00 -1.00 0.00 0.00 179.01 178.52 1xck h ARG 368 N 0.59 1.04 -0.33 2.33 3.08 -1.14 -1.85 114.38 118.10 1xck h ARG 368 Ca 0.23 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1xck h ARG 368 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1xck h ARG 368 CO -0.13 0.93 -0.30 -0.39 -1.07 0.00 0.00 179.97 179.02 1xck h VAL 369 N 0.96 1.28 -0.56 2.04 -1.51 -1.11 -1.53 116.25 115.82 1xck h VAL 369 Ca 0.20 -1.43 0.07 0.00 -1.23 0.00 0.00 66.70 64.32 1xck h VAL 369 Cb 0.36 1.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.80 1xck h VAL 369 CO 0.00 0.47 0.24 0.00 -1.23 0.00 0.00 177.57 177.04 1xck h ALA 370 N 1.07 0.72 0.03 5.19 0.00 -0.75 0.45 119.26 125.96 1xck h ALA 370 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 370 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 370 CO 0.07 -0.15 -0.02 0.87 0.00 0.00 0.00 179.25 180.02 1xck h LYS 371 N 0.44 -0.04 0.51 0.00 1.57 -1.06 0.96 116.57 118.96 1xck h LYS 371 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1xck h LYS 371 Cb 0.28 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xck h LYS 371 CO -0.25 0.22 -0.24 1.25 -0.57 0.00 0.00 179.45 179.86 1xck h LEU 372 N -0.30 -0.58 -1.60 2.94 5.85 -0.86 -3.18 115.31 117.58 1xck h LEU 372 Ca -0.00 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xck h LEU 372 Cb 0.28 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1xck h LEU 372 CO 0.01 -0.37 -0.17 0.00 -0.34 0.00 0.00 178.44 177.56 1xck h ALA 373 N -1.61 1.18 -0.27 1.25 0.00 -0.24 -3.25 119.26 116.31 1xck h ALA 373 Ca -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1xck h ALA 373 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xck h ALA 373 CO 0.11 0.21 -0.04 0.78 0.00 0.00 0.00 179.25 180.32 1xck h GLY 374 N 1.30 0.55 0.00 0.00 0.00 -0.85 -3.50 103.07 100.58 1xck h GLY 374 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xck h GLY 374 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1xck n GLY 375 N -0.21 -1.31 3.18 4.60 0.00 -1.20 -4.91 105.19 105.34 1xck n GLY 375 Ca -0.03 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1xck n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 376 N 0.00 -0.61 0.31 1.61 1.01 -0.52 -4.46 120.40 117.75 1xck s VAL 376 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1xck s VAL 376 Cb 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 1xck s VAL 376 CO 0.00 0.05 1.16 0.00 0.00 0.00 0.00 175.10 176.32 1xck s ALA 377 N 2.58 3.40 -0.21 5.51 0.00 -0.20 -1.54 121.76 131.30 1xck s ALA 377 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1xck s ALA 377 Cb -0.12 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1xck s ALA 377 CO -0.12 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 175.29 1xck s VAL 378 N -1.20 1.59 -0.34 0.00 1.01 -0.40 -1.06 120.40 120.00 1xck s VAL 378 Ca 0.47 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1xck s VAL 378 Cb -0.34 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1xck s VAL 378 CO 0.44 0.07 0.41 -0.63 0.00 0.00 0.00 175.10 175.39 1xck s ILE 379 N 1.40 5.12 -0.30 2.22 1.01 0.11 -2.79 121.20 127.98 1xck s ILE 379 Ca -0.03 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1xck s ILE 379 Cb -0.17 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1xck s ILE 379 CO -0.07 -0.12 0.19 -0.54 0.00 0.00 0.00 174.94 174.40 1xck s LYS 380 N 2.13 3.65 -0.24 2.79 1.02 0.68 -0.79 119.74 128.99 1xck s LYS 380 Ca 0.14 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1xck s LYS 380 Cb -0.16 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1xck s LYS 380 CO 0.12 -0.32 0.94 0.08 -0.92 0.00 0.00 175.35 175.26 1xck s VAL 381 N 1.71 4.75 0.41 3.17 1.01 -0.82 -0.93 120.40 129.70 1xck s VAL 381 Ca 0.06 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 1xck s VAL 381 Cb -0.17 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1xck s VAL 381 CO 0.09 -0.13 0.63 -0.83 0.00 0.00 0.00 175.10 174.86 1xck s GLY 382 N 1.27 1.45 0.06 4.51 0.00 -1.26 -1.36 107.32 111.99 1xck s GLY 382 Ca 0.40 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 1xck s GLY 382 CO 0.07 -0.79 1.15 0.00 0.00 0.00 0.00 173.10 173.53 1xck s ALA 383 N -2.47 -1.99 0.08 3.20 0.00 -1.00 -4.54 121.76 115.04 1xck s ALA 383 Ca 0.44 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1xck s ALA 383 Cb -0.10 0.50 -0.24 0.00 0.00 0.00 0.00 23.12 23.28 1xck s ALA 383 CO 0.38 -1.05 1.13 0.00 0.00 0.00 0.00 175.76 176.22 1xck h ALA 384 N 2.00 0.33 -2.42 0.00 0.00 -1.95 -3.02 119.26 114.20 1xck h ALA 384 Ca -0.28 -0.99 -0.33 0.00 0.00 0.00 0.00 54.91 53.31 1xck h ALA 384 Cb 1.21 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1xck h ALA 384 CO 0.28 1.21 -0.72 0.95 0.00 0.00 0.00 179.25 180.96 1xck s THR 385 N -2.67 1.14 0.24 0.00 -4.23 -1.26 -4.96 115.64 103.89 1xck s THR 385 Ca -0.02 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1xck s THR 385 Cb 0.09 -1.70 0.23 0.00 1.34 0.00 0.00 72.50 72.45 1xck s THR 385 CO 0.84 -0.67 1.92 -0.08 -0.54 0.00 0.00 174.62 176.09 1xck h GLU 386 N 3.04 1.23 0.31 3.99 4.81 -1.99 -1.04 114.58 124.93 1xck h GLU 386 Ca -0.37 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1xck h GLU 386 Cb 1.19 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1xck h GLU 386 CO 0.60 0.81 -0.30 0.28 -0.73 0.00 0.00 179.01 179.67 1xck h VAL 387 N 1.26 0.38 -0.64 0.32 2.07 -1.99 0.27 116.25 117.92 1xck h VAL 387 Ca 0.34 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.91 1xck h VAL 387 Cb -0.15 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 1xck h VAL 387 CO -0.07 0.00 0.37 -0.33 0.02 0.00 0.00 177.57 177.55 1xck h GLU 388 N -0.63 0.67 0.31 1.57 5.08 -1.93 -1.33 114.58 118.32 1xck h GLU 388 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xck h GLU 388 Cb 0.57 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xck h GLU 388 CO -0.05 0.45 -0.34 1.98 -1.00 0.00 0.00 179.01 180.04 1xck h MET 389 N 0.69 -0.67 -0.62 2.33 4.05 -0.83 0.23 114.93 120.12 1xck h MET 389 Ca 0.28 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.82 1xck h MET 389 Cb 0.13 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 1xck h MET 389 CO -0.15 -0.44 0.41 0.87 0.23 0.00 0.00 176.91 177.82 1xck h LYS 390 N -0.69 0.52 0.21 0.39 1.79 -0.73 0.84 116.57 118.90 1xck h LYS 390 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1xck h LYS 390 Cb 0.64 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1xck h LYS 390 CO -0.08 0.35 -0.10 1.49 -1.08 0.00 0.00 179.45 180.03 1xck h GLU 391 N 0.54 -0.27 -0.68 3.15 4.22 -0.59 -2.82 114.58 118.13 1xck h GLU 391 Ca 0.28 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.77 1xck h GLU 391 Cb 0.38 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1xck h GLU 391 CO -0.08 0.11 0.45 -0.22 -2.18 0.00 0.00 179.01 177.09 1xck h LYS 392 N -0.75 0.77 -0.73 1.92 3.64 -0.15 -0.83 116.57 120.45 1xck h LYS 392 Ca -0.03 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1xck h LYS 392 Cb 0.50 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1xck h LYS 392 CO 0.05 0.51 0.42 -0.22 -2.27 0.00 0.00 179.45 177.94 1xck h LYS 393 N 0.79 0.74 -0.64 1.90 3.64 -0.81 0.11 116.57 122.31 1xck h LYS 393 Ca 0.28 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1xck h LYS 393 Cb 0.11 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1xck h LYS 393 CO -0.08 0.49 0.12 0.00 -2.27 0.00 0.00 179.45 177.71 1xck h ALA 394 N 1.37 0.84 -0.03 5.00 0.00 -0.90 -0.88 119.26 124.65 1xck h ALA 394 Ca 0.32 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 394 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xck h ALA 394 CO -0.18 0.59 -0.46 0.00 0.00 0.00 0.00 179.25 179.20 1xck h ARG 395 N 0.96 0.08 -0.16 0.00 3.08 -0.80 -1.89 114.38 115.65 1xck h ARG 395 Ca 0.20 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1xck h ARG 395 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1xck h ARG 395 CO 0.01 0.52 -0.17 0.28 -1.07 0.00 0.00 179.97 179.53 1xck h VAL 396 N 0.06 1.35 -0.83 2.04 2.07 -0.48 -1.28 116.25 119.19 1xck h VAL 396 Ca 0.00 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1xck h VAL 396 Cb 0.83 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1xck h VAL 396 CO 0.06 0.40 0.51 -0.33 0.02 0.00 0.00 177.57 178.23 1xck h GLU 397 N 0.03 0.90 0.50 1.57 5.08 -0.94 0.87 114.58 122.59 1xck h GLU 397 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xck h GLU 397 Cb 0.72 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xck h GLU 397 CO 0.04 0.60 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.97 1xck h ASP 398 N 0.93 -0.57 -0.90 1.42 3.32 -1.33 -2.82 116.42 116.47 1xck h ASP 398 Ca 0.36 -0.04 0.26 0.00 0.02 0.00 0.00 57.03 57.63 1xck h ASP 398 Cb 0.16 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1xck h ASP 398 CO -0.17 -0.16 0.67 0.00 -1.72 0.00 0.00 179.24 177.86 1xck h ALA 399 N -0.94 2.82 0.27 3.45 0.00 -1.06 -0.35 119.26 123.45 1xck h ALA 399 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 399 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xck h ALA 399 CO 0.11 -1.13 -0.13 1.25 0.00 0.00 0.00 179.25 179.35 1xck h LEU 400 N 0.00 -0.31 -0.54 0.00 5.85 -0.71 -1.34 115.31 118.26 1xck h LEU 400 Ca 0.43 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1xck h LEU 400 Cb 1.76 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.82 1xck h LEU 400 CO -0.00 0.06 0.23 0.45 -0.34 0.00 0.00 178.44 178.84 1xck h HIS 401 N -0.73 0.41 0.24 1.25 3.86 -0.85 0.97 115.15 120.31 1xck h HIS 401 Ca -0.04 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xck h HIS 401 Cb 0.49 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 1xck h HIS 401 CO 0.03 0.16 -0.38 0.00 0.86 0.00 0.00 177.93 178.60 1xck h ALA 402 N 1.33 -0.74 -0.78 2.45 0.00 -1.29 -0.87 119.26 119.35 1xck h ALA 402 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 402 Cb 0.23 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1xck h ALA 402 CO -0.22 -0.97 0.52 1.15 0.00 0.00 0.00 179.25 179.73 1xck h THR 403 N -0.69 1.14 -0.56 0.00 2.02 -0.86 0.94 112.91 114.90 1xck h THR 403 Ca 0.00 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1xck h THR 403 Cb 0.67 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1xck h THR 403 CO -0.15 0.18 0.36 -0.09 0.37 0.00 0.00 175.52 176.18 1xck h ARG 404 N 0.98 0.70 -0.12 6.66 1.12 -0.27 0.92 114.38 124.37 1xck h ARG 404 Ca 0.31 -0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.98 1xck h ARG 404 Cb 0.02 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.81 1xck h ARG 404 CO -0.09 0.46 -0.60 0.00 -3.11 0.00 0.00 179.97 176.64 1xck h ALA 405 N 1.23 0.75 -0.41 2.80 0.00 -0.21 -2.82 119.26 120.61 1xck h ALA 405 Ca 0.22 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1xck h ALA 405 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 405 CO -0.07 0.71 0.07 0.00 0.00 0.00 0.00 179.25 179.96 1xck h ALA 406 N 1.06 0.54 -0.01 0.00 0.00 -0.28 -1.82 119.26 118.75 1xck h ALA 406 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xck h ALA 406 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xck h ALA 406 CO 0.10 0.24 -0.08 0.28 0.00 0.00 0.00 179.25 179.79 1xck h VAL 407 N 0.52 1.07 0.07 0.00 2.07 -0.79 0.57 116.25 119.76 1xck h VAL 407 Ca 0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xck h VAL 407 Cb 0.36 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1xck h VAL 407 CO 0.01 0.10 -0.04 -0.33 0.02 0.00 0.00 177.57 177.33 1xck h GLU 408 N 0.02 -0.09 0.00 1.57 5.08 -1.19 -3.41 114.58 116.55 1xck h GLU 408 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xck h GLU 408 Cb 0.16 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xck h GLU 408 CO 0.01 0.44 -0.04 0.39 -1.00 0.00 0.00 179.01 178.82 1xck n GLU 409 N -4.80 1.83 0.00 2.33 1.02 -0.72 -5.10 120.64 115.20 1xck n GLU 409 Ca -0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1xck n GLU 409 Cb 0.29 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1xck n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xck n GLY 410 N -0.55 -1.86 3.24 0.62 0.00 0.20 -4.44 105.19 102.40 1xck n GLY 410 Ca 0.03 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 1xck n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xck s VAL 411 N 0.00 1.20 0.26 1.61 -7.23 -0.32 -0.65 120.40 115.27 1xck s VAL 411 Ca 0.00 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1xck s VAL 411 Cb 0.00 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1xck s VAL 411 CO 0.00 -0.60 0.16 0.68 -0.31 0.00 0.00 175.10 175.03 1xck s VAL 412 N -2.76 0.16 0.27 1.32 -7.23 -0.59 -0.34 120.40 111.23 1xck s VAL 412 Ca 0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 1xck s VAL 412 Cb -0.01 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1xck s VAL 412 CO 0.02 0.00 1.61 0.00 -0.31 0.00 0.00 175.10 176.42 1xck s ALA 413 N -3.84 3.78 0.43 1.32 0.00 -1.26 -1.37 121.76 120.82 1xck s ALA 413 Ca 0.38 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1xck s ALA 413 Cb 0.06 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1xck s ALA 413 CO 0.16 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1xck n GLY 414 N 2.52 1.12 2.71 0.00 0.00 -0.01 -2.94 105.19 108.59 1xck n GLY 414 Ca 0.10 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1xck n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 415 N 5.00 1.42 2.34 -0.02 0.00 -1.26 -1.72 105.19 110.94 1xck n GLY 415 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xck n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 416 N -0.06 0.45 0.12 -0.02 0.00 -1.26 -4.41 105.19 100.00 1xck n GLY 416 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 0.96 -0.28 1.61 -1.51 -1.52 -3.22 116.25 112.29 1xck h VAL 417 Ca 0.00 -2.41 0.02 0.00 -1.23 0.00 0.00 66.70 63.09 1xck h VAL 417 Cb 0.18 2.45 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 1xck h VAL 417 CO 0.00 0.55 0.12 0.00 -1.23 0.00 0.00 177.57 177.01 1xck h ALA 418 N 1.39 0.33 -0.63 5.19 0.00 -1.71 0.11 119.26 123.95 1xck h ALA 418 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 418 Cb 1.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1xck h ALA 418 CO 0.07 -0.28 0.21 -0.07 0.00 0.00 0.00 179.25 179.19 1xck h LEU 419 N 0.26 0.87 -0.52 0.00 3.38 -1.85 -0.44 115.31 117.01 1xck h LEU 419 Ca 0.12 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1xck h LEU 419 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xck h LEU 419 CO -0.10 0.81 -0.60 -0.29 0.09 0.00 0.00 178.44 178.35 1xck h ILE 420 N 0.92 1.34 0.10 1.22 2.10 -1.46 -1.76 117.51 119.98 1xck h ILE 420 Ca 0.21 -1.90 -0.01 0.00 1.08 0.00 0.00 64.86 64.24 1xck h ILE 420 Cb 0.24 1.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 1xck h ILE 420 CO -0.01 0.58 -0.05 -0.09 -1.08 0.00 0.00 178.15 177.50 1xck h ARG 421 N 0.34 -0.13 -0.87 2.19 9.65 -0.41 -1.36 114.38 123.79 1xck h ARG 421 Ca -0.00 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1xck h ARG 421 Cb 1.14 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.68 1xck h ARG 421 CO 0.11 0.08 0.53 0.28 2.80 0.00 0.00 179.97 183.77 1xck h VAL 422 N -0.33 1.01 -0.56 0.20 2.07 -1.06 -2.29 116.25 115.28 1xck h VAL 422 Ca -0.01 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1xck h VAL 422 Cb 0.28 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1xck h VAL 422 CO 0.02 0.17 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 1xck h ALA 423 N 1.43 0.76 -0.01 1.67 0.00 -1.13 -2.56 119.26 119.42 1xck h ALA 423 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 423 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 423 CO -0.19 0.59 0.01 0.66 0.00 0.00 0.00 179.25 180.32 1xck h SER 424 N 0.88 0.00 1.23 0.00 4.64 -0.69 -1.12 113.55 118.49 1xck h SER 424 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xck h SER 424 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xck h SER 424 CO 0.03 0.00 -0.16 0.29 -0.87 0.00 0.00 176.83 176.12 1xck n LYS 425 N -3.89 0.22 -0.84 4.77 5.02 -0.97 -3.87 118.16 118.60 1xck n LYS 425 Ca -0.03 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.45 1xck n LYS 425 Cb 0.10 -1.72 0.35 0.00 -0.02 0.00 0.00 35.03 33.73 1xck n LYS 425 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xck n LEU 426 N -2.09 5.44 -0.20 -0.35 4.77 -0.42 -4.65 117.00 119.50 1xck n LEU 426 Ca 0.05 -3.05 0.14 0.00 -0.03 0.00 0.00 56.01 53.12 1xck n LEU 426 Cb 0.42 -0.67 0.46 0.00 -2.33 0.00 0.00 43.42 41.29 1xck n LEU 426 CO 0.31 0.70 1.21 0.00 -1.33 0.00 0.00 177.39 178.29 1xck h ALA 427 N 3.14 2.02 -0.36 -1.18 0.00 -1.67 -1.33 119.26 119.87 1xck h ALA 427 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 427 Cb 1.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1xck h ALA 427 CO 0.50 -0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 1xck n ASP 428 N -4.50 2.56 -4.71 0.00 8.00 -1.26 -4.92 116.55 111.71 1xck n ASP 428 Ca 0.15 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 1xck n ASP 428 Cb 0.51 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -1.31 4.36 0.21 0.64 2.96 -0.50 -5.01 118.68 120.02 1xck s LEU 429 Ca 0.35 2.36 0.05 0.00 -0.22 0.00 0.00 54.13 56.67 1xck s LEU 429 Cb 0.19 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1xck s LEU 429 CO 0.26 -0.71 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.40 1xck s ARG 430 N 1.39 1.28 0.00 1.98 1.81 -1.26 -4.95 118.95 119.20 1xck s ARG 430 Ca 0.66 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1xck s ARG 430 Cb -0.38 -0.76 0.00 0.00 -0.45 0.00 0.00 34.95 33.37 1xck s ARG 430 CO 0.30 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.34 1xck n GLY 431 N -0.37 6.10 0.19 -3.53 0.00 -1.26 -5.01 105.19 101.31 1xck n GLY 431 Ca -0.07 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.00 1xck n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xck h GLN 432 N 0.00 0.00 -3.92 1.61 4.20 -1.99 -3.47 115.11 111.54 1xck h GLN 432 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1xck h GLN 432 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 1xck h GLN 432 CO 0.00 0.28 -0.12 0.54 -0.67 0.00 0.00 178.83 178.86 1xck s ASN 433 N -6.30 0.69 0.24 1.46 2.20 -1.26 -5.05 114.94 106.93 1xck s ASN 433 Ca 0.04 -1.39 -0.05 0.00 -0.94 0.00 0.00 52.86 50.52 1xck s ASN 433 Cb 0.07 0.68 0.26 0.00 -2.00 0.00 0.00 41.25 40.27 1xck s ASN 433 CO 0.69 -1.34 1.81 -0.08 -2.94 0.00 0.00 177.10 175.24 1xck h GLU 434 N 2.11 1.06 -0.31 3.55 4.57 -1.99 -1.90 114.58 121.66 1xck h GLU 434 Ca -0.29 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1xck h GLU 434 Cb 1.24 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1xck h GLU 434 CO 0.39 0.87 0.18 -0.44 -1.18 0.00 0.00 179.01 178.83 1xck h ASP 435 N 1.03 0.29 -0.30 1.04 3.32 -1.95 -0.30 116.42 119.56 1xck h ASP 435 Ca 0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1xck h ASP 435 Cb 0.23 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1xck h ASP 435 CO -0.02 0.22 0.14 1.56 -1.72 0.00 0.00 179.24 179.42 1xck h GLN 436 N 0.37 0.48 -0.64 3.56 4.20 -1.63 0.25 115.11 121.70 1xck h GLN 436 Ca 0.12 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1xck h GLN 436 Cb -0.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1xck h GLN 436 CO -0.06 0.40 0.11 -0.91 -0.67 0.00 0.00 178.83 177.70 1xck h ASN 437 N 0.48 0.99 -0.56 1.46 2.35 -0.46 -0.29 115.58 119.55 1xck h ASN 437 Ca 0.12 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1xck h ASN 437 Cb 0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1xck h ASN 437 CO -0.01 0.99 0.13 0.58 -1.65 0.00 0.00 177.43 177.47 1xck h VAL 438 N 0.98 1.25 -0.80 2.81 2.07 0.08 -1.97 116.25 120.67 1xck h VAL 438 Ca 0.20 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1xck h VAL 438 Cb 0.41 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1xck h VAL 438 CO 0.01 0.33 0.51 1.23 0.02 0.00 0.00 177.57 179.67 1xck h GLY 439 N 0.81 1.16 1.05 2.17 0.00 -0.35 0.15 103.07 108.06 1xck h GLY 439 Ca 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1xck h GLY 439 CO 0.00 0.33 0.21 -2.22 0.00 0.00 0.00 176.54 174.86 1xck h ILE 440 N 1.00 1.26 -0.48 2.60 2.04 -0.74 -2.09 117.51 121.10 1xck h ILE 440 Ca 0.32 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 1xck h ILE 440 Cb 0.01 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xck h ILE 440 CO -0.11 0.36 -0.12 0.11 0.00 0.00 0.00 178.15 178.38 1xck h LYS 441 N 1.06 0.90 -0.31 2.37 1.79 -0.61 -1.01 116.57 120.75 1xck h LYS 441 Ca 0.23 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1xck h LYS 441 Cb 0.32 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1xck h LYS 441 CO -0.00 0.97 0.10 0.28 -1.08 0.00 0.00 179.45 179.72 1xck h VAL 442 N 0.80 0.91 -0.27 0.50 2.07 -0.38 0.01 116.25 119.89 1xck h VAL 442 Ca 0.13 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xck h VAL 442 Cb 0.65 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1xck h VAL 442 CO 0.05 0.04 0.05 0.00 0.02 0.00 0.00 177.57 177.73 1xck h ALA 443 N 1.20 0.36 -0.35 1.67 0.00 -1.19 -1.22 119.26 119.73 1xck h ALA 443 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 443 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 443 CO -0.15 0.03 0.06 -0.07 0.00 0.00 0.00 179.25 179.13 1xck h LEU 444 N 0.26 0.48 -0.39 0.00 3.38 -0.96 -1.64 115.31 116.43 1xck h LEU 444 Ca 0.08 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1xck h LEU 444 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xck h LEU 444 CO 0.00 0.50 -0.28 -0.09 0.09 0.00 0.00 178.44 178.67 1xck h ARG 445 N 0.51 0.88 -0.18 1.13 2.43 -0.82 -3.08 114.38 115.26 1xck h ARG 445 Ca 0.12 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1xck h ARG 445 Cb 0.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1xck h ARG 445 CO -0.00 1.07 -0.11 0.00 -1.51 0.00 0.00 179.97 179.43 1xck h ALA 446 N 0.79 1.50 0.00 2.80 0.00 -0.52 -2.26 119.26 121.57 1xck h ALA 446 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xck h ALA 446 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xck h ALA 446 CO 0.07 0.36 0.00 -1.33 0.00 0.00 0.00 179.25 178.35 1xck n MET 447 N -4.28 0.04 0.03 0.00 2.81 -0.68 -0.68 117.12 114.35 1xck n MET 447 Ca -0.00 0.31 0.11 0.00 -1.81 0.00 0.00 57.70 56.31 1xck n MET 447 Cb 0.26 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.30 1xck n MET 447 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1xck n GLU 448 N -1.37 0.27 -0.02 0.03 1.02 -0.85 -3.72 120.64 116.00 1xck n GLU 448 Ca 0.02 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1xck n GLU 448 Cb 0.04 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 1xck n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck h ALA 449 N 2.57 -0.21 0.07 0.62 0.00 -1.04 -1.87 119.26 119.40 1xck h ALA 449 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 449 Cb 0.72 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1xck h ALA 449 CO 0.00 -0.71 -0.42 -1.35 0.00 0.00 0.00 179.25 176.77 1xck h PRO 450 N -0.30 -0.56 -0.22 0.00 0.11 -1.78 0.83 132.00 130.08 1xck h PRO 450 Ca 0.11 0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.32 1xck h PRO 450 Cb 0.47 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.65 1xck h PRO 450 CO -0.35 -0.37 -0.22 1.25 -0.21 0.00 0.00 178.00 178.10 1xck h LEU 451 N -0.58 -0.71 -0.55 2.35 6.46 -1.70 -0.16 115.31 120.41 1xck h LEU 451 Ca -0.00 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.99 1xck h LEU 451 Cb 0.59 0.34 -0.09 0.00 -0.73 0.00 0.00 40.66 40.78 1xck h LEU 451 CO -0.24 -0.26 0.06 0.03 -0.62 0.00 0.00 178.44 177.40 1xck h ARG 452 N -0.24 0.17 -0.39 1.25 3.08 -1.12 0.42 114.38 117.56 1xck h ARG 452 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1xck h ARG 452 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1xck h ARG 452 CO -0.36 0.11 0.24 0.37 -1.07 0.00 0.00 179.97 179.27 1xck h GLN 453 N 0.18 0.52 -0.16 0.04 5.75 0.03 0.89 115.11 122.35 1xck h GLN 453 Ca 0.28 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.79 1xck h GLN 453 Cb 0.43 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1xck h GLN 453 CO -0.42 0.37 -0.11 0.82 -2.65 0.00 0.00 178.83 176.84 1xck h ILE 454 N 0.51 0.67 -0.89 2.39 2.04 0.10 0.98 117.51 123.32 1xck h ILE 454 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1xck h ILE 454 Cb -0.03 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1xck h ILE 454 CO -0.03 0.00 0.53 0.58 0.00 0.00 0.00 178.15 179.23 1xck h VAL 455 N -0.12 1.24 -0.54 1.67 2.07 -0.58 -2.13 116.25 117.87 1xck h VAL 455 Ca 0.10 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1xck h VAL 455 Cb 0.26 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1xck h VAL 455 CO -0.23 0.26 0.27 0.25 0.02 0.00 0.00 177.57 178.14 1xck h LEU 456 N 1.22 0.69 -1.85 2.57 5.85 -0.14 -1.66 115.31 122.00 1xck h LEU 456 Ca 0.32 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1xck h LEU 456 Cb -0.05 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1xck h LEU 456 CO -0.06 0.61 -0.10 0.78 -0.34 0.00 0.00 178.44 179.33 1xck h ASN 457 N 0.72 0.00 0.63 1.25 2.35 -0.29 -0.15 115.58 120.10 1xck h ASN 457 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1xck h ASN 457 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xck h ASN 457 CO -0.03 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1xck n GLY 459 N 1.29 0.31 3.74 0.00 0.00 -0.07 -5.06 105.19 105.40 1xck n GLY 459 Ca 0.13 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1xck n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 460 N -4.43 2.15 -0.50 1.61 0.41 -0.75 -5.04 118.70 112.15 1xck s GLU 460 Ca 0.02 -2.13 -0.24 0.00 -0.41 0.00 0.00 54.97 52.22 1xck s GLU 460 Cb -0.01 -1.76 0.03 0.00 -1.78 0.00 0.00 34.13 30.62 1xck s GLU 460 CO 0.03 -0.25 0.89 -1.21 -0.49 0.00 0.00 175.26 174.23 1xck s GLU 461 N -3.90 3.39 0.22 1.61 2.02 -1.26 -4.30 118.70 116.48 1xck s GLU 461 Ca 0.27 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 55.02 1xck s GLU 461 Cb 0.04 -3.99 0.33 0.00 0.10 0.00 0.00 34.13 30.60 1xck s GLU 461 CO 0.15 -1.32 1.67 -1.35 0.02 0.00 0.00 175.26 174.42 1xck h PRO 462 N 9.16 0.14 -0.55 0.39 0.11 -1.87 -2.13 132.00 137.24 1xck h PRO 462 Ca -0.25 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1xck h PRO 462 Cb 1.08 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1xck h PRO 462 CO 1.04 0.09 0.30 0.77 -0.21 0.00 0.00 178.00 179.98 1xck h SER 463 N 0.14 0.44 0.20 -2.05 0.02 -1.95 0.33 113.55 110.69 1xck h SER 463 Ca 0.34 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1xck h SER 463 Cb 0.56 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xck h SER 463 CO -0.53 0.30 -0.10 0.58 -1.14 0.00 0.00 176.83 175.94 1xck h VAL 464 N 0.57 0.87 -0.24 2.27 2.07 -1.82 -0.49 116.25 119.49 1xck h VAL 464 Ca 0.24 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1xck h VAL 464 Cb 0.13 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xck h VAL 464 CO -0.15 0.09 0.12 0.58 0.02 0.00 0.00 177.57 178.23 1xck h VAL 465 N -0.46 1.13 -0.72 2.57 2.07 -1.29 -0.20 116.25 119.34 1xck h VAL 465 Ca -0.03 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1xck h VAL 465 Cb 0.35 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1xck h VAL 465 CO 0.05 0.13 0.37 0.00 0.02 0.00 0.00 177.57 178.14 1xck h ALA 466 N 0.99 1.00 0.33 1.67 0.00 -0.32 -0.05 119.26 122.88 1xck h ALA 466 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 466 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 466 CO -0.01 -0.03 -0.16 -0.97 0.00 0.00 0.00 179.25 178.08 1xck h ASN 467 N 0.63 -0.37 -0.35 0.00 -1.24 -0.63 -1.19 115.58 112.42 1xck h ASN 467 Ca 0.36 -0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.37 1xck h ASN 467 Cb 0.37 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.47 1xck h ASN 467 CO -0.26 -0.20 0.12 0.74 -1.29 0.00 0.00 177.43 176.53 1xck h THR 468 N -0.52 0.89 -0.62 -3.57 2.02 -0.59 -2.19 112.91 108.33 1xck h THR 468 Ca -0.05 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1xck h THR 468 Cb 0.39 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1xck h THR 468 CO 0.07 0.05 0.38 0.58 0.37 0.00 0.00 175.52 176.98 1xck h VAL 469 N 0.26 1.09 -0.09 3.16 2.07 -0.93 -1.65 116.25 120.16 1xck h VAL 469 Ca 0.16 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1xck h VAL 469 Cb 0.14 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1xck h VAL 469 CO -0.17 0.14 0.06 0.11 0.02 0.00 0.00 177.57 177.73 1xck h LYS 470 N 0.76 0.08 -0.19 1.57 1.57 -0.73 -2.02 116.57 117.62 1xck h LYS 470 Ca 0.25 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1xck h LYS 470 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xck h LYS 470 CO -0.09 0.05 -0.29 0.78 -0.57 0.00 0.00 179.45 179.33 1xck h GLY 471 N 0.08 0.39 0.00 3.86 0.00 -0.70 -3.45 103.07 103.26 1xck h GLY 471 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1xck h GLY 471 CO -0.01 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1xck n GLY 472 N -0.39 -2.00 3.19 4.60 0.00 -0.76 -5.10 105.19 104.73 1xck n GLY 472 Ca -0.01 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 1xck n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xck s ASP 473 N -1.39 0.19 0.53 1.61 1.01 -1.26 -5.02 116.67 112.34 1xck s ASP 473 Ca 0.00 -1.32 0.00 0.00 0.71 0.00 0.00 52.55 51.94 1xck s ASP 473 Cb 0.00 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.29 1xck s ASP 473 CO 0.00 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.17 1xck n GLY 474 N -0.22 2.19 1.36 0.21 0.00 -1.26 -1.48 105.19 105.99 1xck n GLY 474 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1xck n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xck n ASN 475 N -0.09 3.17 -4.70 1.61 4.13 -1.26 -4.87 115.26 113.25 1xck n ASN 475 Ca 0.00 -2.53 -0.42 0.00 1.68 0.00 0.00 54.58 53.30 1xck n ASN 475 Cb 0.00 -0.61 -0.03 0.00 -1.54 0.00 0.00 39.78 37.60 1xck n ASN 475 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xck s TYR 476 N -1.26 3.53 0.00 3.10 5.04 -0.55 -0.19 117.35 127.02 1xck s TYR 476 Ca 0.20 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 1xck s TYR 476 Cb 0.17 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 39.28 1xck s TYR 476 CO 0.04 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 1xck n GLY 477 N 3.05 4.05 3.23 8.97 0.00 0.89 -4.68 105.19 120.70 1xck n GLY 477 Ca 0.08 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1xck n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xck s TYR 478 N -1.65 2.82 -0.91 1.61 5.04 -1.26 -1.80 117.35 121.20 1xck s TYR 478 Ca 0.00 -1.20 -0.22 0.00 -2.44 0.00 0.00 57.07 53.21 1xck s TYR 478 Cb 0.00 -1.95 0.08 0.00 0.35 0.00 0.00 41.96 40.44 1xck s TYR 478 CO 0.00 -0.59 1.25 1.21 -1.34 0.00 0.00 175.55 176.08 1xck s ASN 479 N 1.11 6.47 0.47 4.32 3.84 0.35 -4.85 114.94 126.65 1xck s ASN 479 Ca 0.00 -1.50 0.22 0.00 0.21 0.00 0.00 52.86 51.80 1xck s ASN 479 Cb -0.14 -2.49 1.24 0.00 -0.55 0.00 0.00 41.25 39.31 1xck s ASN 479 CO -0.05 -1.37 1.90 0.00 -2.79 0.00 0.00 177.10 174.79 1xck h ALA 480 N 9.44 2.41 -0.29 1.71 0.00 -1.94 0.42 119.26 131.01 1xck h ALA 480 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 480 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xck h ALA 480 CO 1.26 -0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 1xck h ALA 481 N 1.62 1.11 -0.01 0.00 0.00 -1.96 -3.30 119.26 116.72 1xck h ALA 481 Ca 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 481 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xck h ALA 481 CO -0.09 0.55 0.00 0.25 0.00 0.00 0.00 179.25 179.96 1xck n THR 482 N -4.14 0.12 -2.18 0.00 -2.24 -0.52 -4.99 114.28 100.33 1xck n THR 482 Ca 0.00 -0.56 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 1xck n THR 482 Cb 0.39 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1xck n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xck n GLU 483 N 0.11 -1.68 -4.60 -0.78 1.02 0.14 -4.97 120.64 109.87 1xck n GLU 483 Ca 0.02 1.01 -0.34 0.00 -0.02 0.00 0.00 57.16 57.83 1xck n GLU 483 Cb 0.10 -5.58 -0.12 0.00 -0.02 0.00 0.00 31.44 25.82 1xck n GLU 483 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xck s GLU 484 N -4.67 2.95 0.15 3.49 0.41 -1.19 -4.91 118.70 114.93 1xck s GLU 484 Ca 0.00 -0.55 -0.07 0.00 -0.41 0.00 0.00 54.97 53.94 1xck s GLU 484 Cb 0.00 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 1xck s GLU 484 CO 0.00 0.56 0.41 0.71 -0.49 0.00 0.00 175.26 176.46 1xck s TYR 485 N -0.54 3.48 -2.91 1.61 1.51 -1.26 -0.50 117.35 118.75 1xck s TYR 485 Ca 0.08 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.80 1xck s TYR 485 Cb -0.12 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1xck s TYR 485 CO 0.02 0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 1xck n GLY 486 N 0.19 -0.82 3.63 0.71 0.00 -0.74 -4.96 105.19 103.20 1xck n GLY 486 Ca -0.03 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1xck n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xck s ASN 487 N -4.00 6.83 0.22 1.61 3.84 -1.26 -0.08 114.94 122.11 1xck s ASN 487 Ca 0.00 0.86 -0.07 0.00 0.21 0.00 0.00 52.86 53.85 1xck s ASN 487 Cb 0.00 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.50 1xck s ASN 487 CO 0.00 -1.00 1.75 0.24 -2.79 0.00 0.00 177.10 175.29 1xck h MET 488 N 8.46 0.44 -0.51 0.43 2.86 -0.88 -0.77 114.93 124.98 1xck h MET 488 Ca -0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1xck h MET 488 Cb 1.06 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1xck h MET 488 CO 1.06 0.29 0.25 0.82 1.06 0.00 0.00 176.91 180.40 1xck h ILE 489 N 0.46 1.19 -0.72 -1.22 1.08 -1.76 -0.35 117.51 116.19 1xck h ILE 489 Ca 0.35 -0.52 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 1xck h ILE 489 Cb 0.45 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1xck h ILE 489 CO -0.33 0.21 0.28 0.44 -0.69 0.00 0.00 178.15 178.06 1xck h ASP 490 N 0.67 0.98 0.00 1.72 3.32 -1.78 -0.85 116.42 120.48 1xck h ASP 490 Ca 0.18 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xck h ASP 490 Cb 0.10 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1xck h ASP 490 CO -0.02 0.88 0.00 0.23 -1.72 0.00 0.00 179.24 178.61 1xck n MET 491 N -4.29 0.86 -1.90 3.56 2.81 -0.35 -4.86 117.12 112.95 1xck n MET 491 Ca 0.06 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.83 1xck n MET 491 Cb 0.18 -1.16 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1xck n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xck n GLY 492 N 0.47 0.42 3.07 3.03 0.00 -0.32 -4.98 105.19 106.87 1xck n GLY 492 Ca 0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1xck n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xck s ILE 493 N -2.55 3.33 0.24 -0.61 1.01 -0.18 -5.01 121.20 117.43 1xck s ILE 493 Ca 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 60.65 57.81 1xck s ILE 493 Cb 0.00 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1xck s ILE 493 CO 0.00 -0.81 0.12 -1.48 0.00 0.00 0.00 174.94 172.76 1xck s LEU 494 N 0.15 1.44 0.01 2.97 0.05 -1.26 -0.83 118.68 121.21 1xck s LEU 494 Ca 0.15 -1.41 0.01 0.00 0.05 0.00 0.00 54.13 52.93 1xck s LEU 494 Cb -0.22 0.19 -0.01 0.00 -2.05 0.00 0.00 46.19 44.11 1xck s LEU 494 CO -0.03 -0.80 -0.04 -1.81 -0.55 0.00 0.00 176.35 173.13 1xck s ASP 495 N -3.26 0.40 0.15 1.48 1.01 -0.47 -4.51 116.67 111.48 1xck s ASP 495 Ca 0.38 -0.17 -0.31 0.00 0.71 0.00 0.00 52.55 53.16 1xck s ASP 495 Cb 0.07 -0.01 -0.11 0.00 1.01 0.00 0.00 42.92 43.88 1xck s ASP 495 CO 0.14 -0.04 1.72 -2.84 0.21 0.00 0.00 175.17 174.36 1xck s PRO 496 N -0.44 4.16 0.52 8.23 0.02 -1.26 -1.55 135.00 144.69 1xck s PRO 496 Ca -0.02 2.52 0.37 0.00 0.02 0.00 0.00 61.00 63.89 1xck s PRO 496 Cb -0.03 -3.33 1.54 0.00 0.02 0.00 0.00 34.50 32.70 1xck s PRO 496 CO -0.00 -0.75 1.74 1.15 -0.33 0.00 0.00 177.00 178.81 1xck h THR 497 N 4.27 0.32 -0.57 0.99 2.02 -1.10 0.32 112.91 119.15 1xck h THR 497 Ca -0.44 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 497 Cb 1.21 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1xck h THR 497 CO 0.94 0.01 0.12 0.50 0.37 0.00 0.00 175.52 177.47 1xck h LYS 498 N 0.04 0.90 -0.18 6.66 3.64 -1.82 -1.35 116.57 124.46 1xck h LYS 498 Ca 0.66 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 59.65 1xck h LYS 498 Cb 2.53 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.22 1xck h LYS 498 CO -0.07 0.81 -0.68 -0.39 -2.27 0.00 0.00 179.45 176.86 1xck h VAL 499 N 0.86 1.30 -0.20 2.00 -1.51 -0.68 -1.15 116.25 116.86 1xck h VAL 499 Ca 0.18 -1.91 -0.03 0.00 -1.23 0.00 0.00 66.70 63.72 1xck h VAL 499 Cb 0.33 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1xck h VAL 499 CO 0.00 0.60 0.01 0.74 -1.23 0.00 0.00 177.57 177.70 1xck h THR 500 N 0.52 1.24 -0.10 7.19 2.02 -1.40 0.49 112.91 122.87 1xck h THR 500 Ca -0.02 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1xck h THR 500 Cb 1.28 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 1xck h THR 500 CO 0.14 0.25 -0.05 -0.09 0.37 0.00 0.00 175.52 176.14 1xck h ARG 501 N 0.13 -0.05 0.24 6.66 2.43 -1.24 -1.74 114.38 120.81 1xck h ARG 501 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xck h ARG 501 Cb 0.37 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1xck h ARG 501 CO 0.01 -0.03 -0.24 0.77 -1.51 0.00 0.00 179.97 178.96 1xck h SER 502 N -0.05 -0.65 -0.60 -3.80 0.02 -1.09 -0.38 113.55 107.00 1xck h SER 502 Ca 0.06 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.19 1xck h SER 502 Cb 0.14 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 1xck h SER 502 CO -0.14 -0.36 0.00 0.00 -1.14 0.00 0.00 176.83 175.20 1xck h ALA 503 N 0.15 0.59 0.17 3.77 0.00 -0.74 0.91 119.26 124.10 1xck h ALA 503 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 503 Cb 0.48 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xck h ALA 503 CO -0.05 -0.39 -0.08 1.25 0.00 0.00 0.00 179.25 179.98 1xck h LEU 504 N 0.12 -0.19 -0.42 0.00 5.85 -1.00 -1.49 115.31 118.18 1xck h LEU 504 Ca 0.31 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1xck h LEU 504 Cb 0.50 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1xck h LEU 504 CO -0.51 0.08 0.22 1.56 -0.34 0.00 0.00 178.44 179.45 1xck h GLN 505 N -0.47 0.43 -0.72 1.25 4.20 -0.65 0.57 115.11 119.73 1xck h GLN 505 Ca -0.02 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1xck h GLN 505 Cb 0.36 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1xck h GLN 505 CO 0.04 0.29 0.21 1.88 -0.67 0.00 0.00 178.83 180.57 1xck h TYR 506 N 0.45 1.18 0.26 2.96 0.05 -0.82 -0.16 116.97 120.87 1xck h TYR 506 Ca 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1xck h TYR 506 Cb 0.06 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.46 1xck h TYR 506 CO -0.09 0.94 -0.12 0.00 -1.05 0.00 0.00 178.16 177.84 1xck h ALA 507 N 1.10 -0.35 -0.24 3.88 0.00 -0.88 -2.36 119.26 120.42 1xck h ALA 507 Ca 0.23 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 507 Cb 0.33 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xck h ALA 507 CO -0.00 -0.60 0.17 0.00 0.00 0.00 0.00 179.25 178.82 1xck h ALA 508 N 0.16 2.22 0.64 0.00 0.00 -0.76 -0.83 119.26 120.70 1xck h ALA 508 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 508 Cb 0.39 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 508 CO 0.06 -0.29 -0.31 1.03 0.00 0.00 0.00 179.25 179.74 1xck h SER 509 N 0.00 -0.73 -0.26 0.00 0.87 -0.52 -0.33 113.55 112.58 1xck h SER 509 Ca 0.11 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1xck h SER 509 Cb 0.45 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1xck h SER 509 CO -0.00 -0.39 -0.11 1.62 -0.53 0.00 0.00 176.83 177.42 1xck h VAL 510 N -1.10 1.25 -0.80 2.23 3.04 -1.25 -2.09 116.25 117.52 1xck h VAL 510 Ca -0.09 -1.10 -0.05 0.00 -1.01 0.00 0.00 66.70 64.45 1xck h VAL 510 Cb 0.70 1.08 -0.04 0.00 -2.01 0.00 0.00 31.29 31.03 1xck h VAL 510 CO 0.15 0.37 0.32 0.00 -1.01 0.00 0.00 177.57 177.40 1xck h ALA 511 N 1.28 1.04 -0.77 3.17 0.00 -1.16 -1.37 119.26 121.45 1xck h ALA 511 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xck h ALA 511 Cb 0.54 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1xck h ALA 511 CO 0.03 0.67 0.28 0.78 0.00 0.00 0.00 179.25 181.01 1xck h GLY 512 N 1.17 1.25 0.92 0.00 0.00 -0.72 -1.95 103.07 103.74 1xck h GLY 512 Ca 0.27 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1xck h GLY 512 CO -0.02 0.66 0.12 1.41 0.00 0.00 0.00 176.54 178.72 1xck h LEU 513 N 1.13 0.40 -0.32 3.11 3.38 -0.70 -2.82 115.31 119.49 1xck h LEU 513 Ca 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xck h LEU 513 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xck h LEU 513 CO -0.02 0.44 0.13 0.24 0.09 0.00 0.00 178.44 179.32 1xck h MET 514 N 0.33 0.47 -0.39 1.13 2.86 -1.14 -2.41 114.93 115.78 1xck h MET 514 Ca 0.10 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 1xck h MET 514 Cb 0.16 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1xck h MET 514 CO -0.01 0.48 0.28 0.82 1.06 0.00 0.00 176.91 179.53 1xck h ILE 515 N 0.36 0.82 -0.88 -1.22 2.04 -1.32 -0.53 117.51 116.78 1xck h ILE 515 Ca 0.11 -0.01 -0.39 0.00 1.00 0.00 0.00 64.86 65.56 1xck h ILE 515 Cb 0.18 0.79 -0.23 0.00 -0.74 0.00 0.00 36.82 36.81 1xck h ILE 515 CO -0.01 0.01 0.49 0.35 0.00 0.00 0.00 178.15 178.98 1xck n THR 516 N -4.43 3.09 -3.99 -0.27 -2.24 -0.92 -4.82 114.28 100.69 1xck n THR 516 Ca 0.06 -1.85 -0.35 0.00 -2.27 0.00 0.00 64.05 59.65 1xck n THR 516 Cb 0.44 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 1xck n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xck s THR 517 N -3.19 4.89 -0.05 4.28 2.01 -0.21 -4.97 115.64 118.40 1xck s THR 517 Ca 0.56 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.62 1xck s THR 517 Cb 0.46 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1xck s THR 517 CO 0.12 0.48 0.15 -0.62 -0.69 0.00 0.00 174.62 174.06 1xck n GLU 518 N 3.29 0.96 -3.85 4.92 -0.58 -1.26 -4.81 120.64 119.31 1xck n GLU 518 Ca -0.17 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.41 1xck n GLU 518 Cb 0.53 -1.09 -0.11 0.00 -0.57 0.00 0.00 31.44 30.20 1xck n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xck s MET 520 N -0.76 0.81 -0.14 0.00 -1.94 -0.21 -5.00 119.30 112.07 1xck s MET 520 Ca -0.08 -0.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1xck s MET 520 Cb -0.05 -0.80 0.01 0.00 2.01 0.00 0.00 34.83 36.00 1xck s MET 520 CO 0.01 -0.04 -0.19 0.08 -0.01 0.00 0.00 175.02 174.87 1xck s VAL 521 N 0.72 1.89 0.24 -6.03 1.01 -1.26 -1.15 120.40 115.81 1xck s VAL 521 Ca -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1xck s VAL 521 Cb -0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1xck s VAL 521 CO 0.00 0.52 0.24 0.28 0.00 0.00 0.00 175.10 176.14 1xck s THR 522 N 0.99 0.00 0.70 3.92 -1.32 -0.96 -4.98 115.64 114.00 1xck s THR 522 Ca -0.04 -1.88 -0.11 0.00 -1.21 0.00 0.00 61.69 58.46 1xck s THR 522 Cb -0.15 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.39 1xck s THR 522 CO -0.04 0.00 1.06 -1.81 -2.21 0.00 0.00 174.62 171.62 1xck s ASP 523 N -3.18 5.34 0.09 8.08 1.11 -1.26 -0.05 116.67 126.79 1xck s ASP 523 Ca 0.36 1.55 -0.30 0.00 0.18 0.00 0.00 52.55 54.34 1xck s ASP 523 Cb 0.04 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.56 1xck s ASP 523 CO 0.15 -1.46 1.05 -0.22 1.18 0.00 0.00 175.17 175.87 1xck s LEU 524 N -5.54 4.44 0.00 1.23 2.96 -1.19 -4.49 118.68 116.09 1xck s LEU 524 Ca 0.58 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 1xck s LEU 524 Cb -0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1xck s LEU 524 CO 0.55 -0.24 0.25 -0.81 -1.32 0.00 0.00 176.35 174.78