#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 0.98 -2.30 0.00 0.00 -1.26 -4.95 120.51 112.98 1xck n ALA 3 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1xck n ALA 3 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 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 -0.37 2.62 -0.21 0.00 -0.14 -1.26 -3.13 119.74 117.25 1xck s LYS 4 Ca 0.69 -1.43 0.01 0.00 -1.36 0.00 0.00 55.97 53.87 1xck s LYS 4 Cb -0.67 -2.44 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1xck s LYS 4 CO 0.49 -0.10 -0.15 0.34 -0.76 0.00 0.00 175.35 175.17 1xck s ASP 5 N -4.10 3.63 -0.14 2.83 -1.08 0.18 -4.73 116.67 113.25 1xck s ASP 5 Ca 0.46 -0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 51.68 1xck s ASP 5 Cb -0.05 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.86 1xck s ASP 5 CO 0.28 -0.05 -0.09 -0.69 0.52 0.00 0.00 175.17 175.13 1xck s VAL 6 N 1.28 3.37 0.04 1.11 1.01 -1.26 -2.00 120.40 123.95 1xck s VAL 6 Ca 0.02 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1xck s VAL 6 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1xck s VAL 6 CO -0.10 0.51 -0.24 -0.54 0.00 0.00 0.00 175.10 174.73 1xck s LYS 7 N 0.39 1.66 0.35 2.72 1.02 -0.37 -4.98 119.74 120.54 1xck s LYS 7 Ca -0.08 -1.05 0.09 0.00 0.02 0.00 0.00 55.97 54.96 1xck s LYS 7 Cb -0.15 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.28 1xck s LYS 7 CO 0.04 0.47 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.81 1xck s PHE 8 N -0.79 2.43 0.00 3.18 0.08 -1.26 -0.71 117.98 120.91 1xck s PHE 8 Ca 0.10 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1xck s PHE 8 Cb -0.10 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1xck s PHE 8 CO 0.02 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 1xck n GLY 9 N -0.83 1.27 0.27 4.36 0.00 0.89 -2.16 105.19 108.99 1xck n GLY 9 Ca -0.05 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.18 -0.92 1.61 -0.73 -1.93 -0.78 115.58 113.01 1xck h ASN 10 Ca 0.00 0.12 0.12 0.00 1.87 0.00 0.00 56.30 58.41 1xck h ASN 10 Cb 0.00 0.12 -0.08 0.00 0.27 0.00 0.00 38.32 38.63 1xck h ASN 10 CO 0.00 0.05 0.55 -0.78 -0.37 0.00 0.00 177.43 176.88 1xck h ASP 11 N 0.38 0.79 -0.16 1.15 3.58 -1.90 -0.72 116.42 119.53 1xck h ASP 11 Ca 0.41 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.84 1xck h ASP 11 Cb 0.65 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1xck h ASP 11 CO -0.44 0.41 -0.19 0.00 -2.88 0.00 0.00 179.24 176.15 1xck h ALA 12 N 1.52 0.24 -0.82 -0.78 0.00 -0.67 -3.21 119.26 115.55 1xck h ALA 12 Ca 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 12 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1xck h ALA 12 CO -0.28 0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.57 1xck h ARG 13 N 0.05 1.14 -0.64 0.00 3.08 -0.52 -1.81 114.38 115.69 1xck h ARG 13 Ca 0.02 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1xck h ARG 13 Cb 0.73 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1xck h ARG 13 CO 0.04 0.84 0.14 -0.39 -1.07 0.00 0.00 179.97 179.54 1xck h VAL 14 N 1.15 1.25 -0.29 2.04 -1.51 -1.23 -0.91 116.25 116.74 1xck h VAL 14 Ca 0.29 -0.93 0.02 0.00 -1.23 0.00 0.00 66.70 64.85 1xck h VAL 14 Cb 0.04 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 29.78 1xck h VAL 14 CO -0.04 0.35 0.13 0.11 -1.23 0.00 0.00 177.57 176.89 1xck h LYS 15 N 0.96 0.27 0.12 5.19 1.79 -1.43 0.13 116.57 123.60 1xck h LYS 15 Ca 0.20 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1xck h LYS 15 Cb 0.36 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1xck h LYS 15 CO 0.00 0.18 -0.09 0.52 -1.08 0.00 0.00 179.45 178.99 1xck h MET 16 N 0.28 -0.20 -0.21 3.15 2.86 -1.00 -1.12 114.93 118.69 1xck h MET 16 Ca 0.12 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1xck h MET 16 Cb 0.06 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1xck h MET 16 CO -0.10 -0.13 -0.10 1.25 1.06 0.00 0.00 176.91 178.89 1xck h LEU 17 N -0.21 -0.33 -0.73 1.22 5.85 -0.89 0.51 115.31 120.73 1xck h LEU 17 Ca -0.01 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.94 1xck h LEU 17 Cb 0.19 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 1xck h LEU 17 CO -0.00 -0.13 0.27 -0.09 -0.34 0.00 0.00 178.44 178.14 1xck h ARG 18 N -0.07 0.39 -0.41 1.25 9.65 -0.59 0.16 114.38 124.76 1xck h ARG 18 Ca 0.11 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.88 1xck h ARG 18 Cb 0.24 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1xck h ARG 18 CO -0.26 0.26 -0.08 0.78 2.80 0.00 0.00 179.97 183.47 1xck h GLY 19 N 0.40 0.84 2.00 2.80 0.00 0.13 -2.80 103.07 106.45 1xck h GLY 19 Ca 0.40 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1xck h GLY 19 CO -0.41 0.62 -0.10 -0.39 0.00 0.00 0.00 176.54 176.26 1xck h VAL 20 N 0.60 0.23 -0.35 4.60 -1.51 0.16 -2.91 116.25 117.08 1xck h VAL 20 Ca 0.11 -0.87 -0.12 0.00 -1.23 0.00 0.00 66.70 64.58 1xck h VAL 20 Cb 0.59 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1xck h VAL 20 CO 0.04 0.10 -0.29 0.78 -1.23 0.00 0.00 177.57 176.97 1xck h ASN 21 N 0.00 0.76 0.00 4.19 2.35 -0.47 0.28 115.58 122.69 1xck h ASN 21 Ca -0.00 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1xck h ASN 21 Cb 0.70 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1xck h ASN 21 CO 0.01 1.00 -0.00 0.58 -1.65 0.00 0.00 177.43 177.37 1xck h VAL 22 N 0.63 1.17 0.40 2.81 2.07 -1.32 0.13 116.25 122.13 1xck h VAL 22 Ca 0.08 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1xck h VAL 22 Cb 0.80 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1xck h VAL 22 CO 0.07 0.13 -0.33 0.25 0.02 0.00 0.00 177.57 177.71 1xck h LEU 23 N -0.22 -0.87 -0.30 2.57 5.85 -1.39 -1.37 115.31 119.58 1xck h LEU 23 Ca -0.00 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xck h LEU 23 Cb 0.22 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1xck h LEU 23 CO 0.00 -0.48 0.17 0.00 -0.34 0.00 0.00 178.44 177.79 1xck h ALA 24 N -0.26 0.38 -0.73 1.25 0.00 -0.42 -1.78 119.26 117.69 1xck h ALA 24 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 24 Cb 0.64 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xck h ALA 24 CO -0.02 -0.20 0.46 -0.44 0.00 0.00 0.00 179.25 179.04 1xck h ASP 25 N 0.35 0.86 -0.25 0.00 3.32 -0.66 0.32 116.42 120.36 1xck h ASP 25 Ca 0.12 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1xck h ASP 25 Cb 0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1xck h ASP 25 CO -0.07 0.65 -0.36 0.00 -1.72 0.00 0.00 179.24 177.74 1xck h ALA 26 N 1.51 0.72 0.22 3.45 0.00 -0.96 -3.32 119.26 120.88 1xck h ALA 26 Ca 0.26 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 1xck h ALA 26 Cb -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xck h ALA 26 CO -0.05 0.66 -1.62 0.28 0.00 0.00 0.00 179.25 178.52 1xck h VAL 27 N 0.65 1.10 0.00 0.00 2.07 -0.78 -3.37 116.25 115.92 1xck h VAL 27 Ca 0.06 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1xck h VAL 27 Cb 0.91 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1xck h VAL 27 CO 0.08 0.83 0.00 0.07 0.02 0.00 0.00 177.57 178.58 1xck h LYS 28 N 0.11 0.00 0.00 1.57 2.10 -0.49 -2.38 116.57 117.48 1xck h LYS 28 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1xck h LYS 28 Cb 2.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 1xck h LYS 28 CO 0.22 0.00 0.00 -0.39 -2.00 0.00 0.00 179.45 177.28 1xck h VAL 29 N 0.00 0.00 0.00 0.07 -1.51 -1.72 -2.31 116.25 110.78 1xck h VAL 29 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1xck h VAL 29 Cb 0.23 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1xck h VAL 29 CO 0.00 0.00 -0.70 0.35 -1.23 0.00 0.00 177.57 175.99 1xck n THR 30 N -2.59 0.28 -1.80 7.19 -2.24 -0.90 0.28 114.28 114.50 1xck n THR 30 Ca 0.01 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 1xck n THR 30 Cb 0.25 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1xck n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xck s LEU 31 N -4.04 4.34 0.00 3.22 2.96 -0.87 -4.19 118.68 120.10 1xck s LEU 31 Ca 0.06 2.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.94 1xck s LEU 31 Cb 0.14 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1xck s LEU 31 CO 0.74 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1xck n GLY 32 N 1.51 -0.48 0.23 7.98 0.00 -1.26 -3.94 105.19 109.23 1xck n GLY 32 Ca 0.05 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.59 1.61 0.13 -1.92 -3.07 132.00 128.16 1xck h PRO 33 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 1xck h PRO 33 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1xck h PRO 33 CO 0.00 0.08 0.19 1.63 -0.23 0.00 0.00 178.00 179.67 1xck n LYS 34 N -3.15 2.97 -1.71 0.86 4.76 -1.26 -5.02 118.16 115.62 1xck n LYS 34 Ca 0.02 -3.06 -0.37 0.00 -2.87 0.00 0.00 58.31 52.03 1xck n LYS 34 Cb 0.46 -2.05 0.06 0.00 -1.84 0.00 0.00 35.03 31.66 1xck n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xck n GLY 35 N -0.56 0.40 3.97 0.72 0.00 -1.16 -4.64 105.19 103.92 1xck n GLY 35 Ca 0.38 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1xck n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck s ARG 36 N -3.15 1.91 0.02 1.61 1.81 0.14 -4.92 118.95 116.37 1xck s ARG 36 Ca 0.79 -0.79 -0.10 0.00 -1.72 0.00 0.00 55.73 53.92 1xck s ARG 36 Cb -0.40 -2.29 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 1xck s ARG 36 CO 0.43 -1.31 0.35 -0.80 -0.68 0.00 0.00 175.30 173.29 1xck s ASN 37 N -4.63 6.62 -0.10 0.23 0.02 -1.26 -4.38 114.94 111.44 1xck s ASN 37 Ca 0.63 0.75 0.04 0.00 -1.02 0.00 0.00 52.86 53.26 1xck s ASN 37 Cb -0.08 -2.16 -0.01 0.00 0.02 0.00 0.00 41.25 39.03 1xck s ASN 37 CO 0.44 0.25 -0.22 -0.69 0.02 0.00 0.00 177.10 176.90 1xck s VAL 38 N -1.26 2.28 -0.31 1.60 1.01 0.70 -4.93 120.40 119.49 1xck s VAL 38 Ca 0.28 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1xck s VAL 38 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1xck s VAL 38 CO 0.15 0.56 0.26 -0.69 0.00 0.00 0.00 175.10 175.38 1xck s VAL 39 N 0.22 5.26 -0.28 2.92 1.01 -1.26 -1.19 120.40 127.08 1xck s VAL 39 Ca -0.14 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 1xck s VAL 39 Cb -0.17 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1xck s VAL 39 CO 0.07 0.08 0.11 -0.76 0.00 0.00 0.00 175.10 174.60 1xck s LEU 40 N 1.83 3.74 0.18 3.92 1.43 0.72 -4.93 118.68 125.58 1xck s LEU 40 Ca 0.08 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 1xck s LEU 40 Cb -0.17 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 1xck s LEU 40 CO 0.11 -0.10 1.01 -0.62 0.23 0.00 0.00 176.35 176.98 1xck s ASP 41 N 1.62 7.44 -0.10 2.29 2.15 -1.26 -0.59 116.67 128.23 1xck s ASP 41 Ca 0.06 1.97 0.03 0.00 0.43 0.00 0.00 52.55 55.03 1xck s ASP 41 Cb -0.16 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 1xck s ASP 41 CO 0.05 -0.06 -0.20 -0.54 -0.17 0.00 0.00 175.17 174.25 1xck s LYS 42 N -0.54 3.04 0.48 4.34 1.02 -1.26 -4.95 119.74 121.88 1xck s LYS 42 Ca 0.46 -0.80 0.27 0.00 0.02 0.00 0.00 55.97 55.91 1xck s LYS 42 Cb -0.27 -2.40 1.33 0.00 -0.52 0.00 0.00 37.83 35.97 1xck s LYS 42 CO 0.33 0.26 1.84 0.66 -0.92 0.00 0.00 175.35 177.52 1xck h SER 43 N 6.50 0.19 -3.59 2.83 4.64 -1.96 -3.38 113.55 118.77 1xck h SER 43 Ca -0.25 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.45 1xck h SER 43 Cb 1.21 -0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.07 1xck h SER 43 CO 0.50 0.05 -0.64 -0.36 -0.87 0.00 0.00 176.83 175.52 1xck s PHE 44 N -5.19 3.07 0.00 4.77 0.08 -1.26 -5.03 117.98 114.43 1xck s PHE 44 Ca -0.07 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.51 1xck s PHE 44 Cb 0.23 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1xck s PHE 44 CO 0.79 -0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 1xck n GLY 45 N 4.83 -0.13 3.87 4.36 0.00 -1.26 -4.90 105.19 111.96 1xck n GLY 45 Ca -0.16 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.39 3.45 1.04 4.61 0.00 -1.26 -4.87 121.76 123.34 1xck s ALA 46 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 1xck s ALA 46 Cb 0.00 -2.59 0.21 0.00 0.00 0.00 0.00 23.12 20.74 1xck s ALA 46 CO 0.00 0.37 1.07 -2.14 0.00 0.00 0.00 175.76 175.07 1xck s PRO 47 N -3.02 0.08 -0.19 0.00 0.02 -1.26 -4.66 135.00 125.98 1xck s PRO 47 Ca 0.50 0.92 -0.08 0.00 0.02 0.00 0.00 61.00 62.36 1xck s PRO 47 Cb -0.11 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 1xck s PRO 47 CO 0.21 -3.07 0.07 0.99 -0.33 0.00 0.00 177.00 174.87 1xck s THR 48 N -2.67 4.84 -0.16 0.99 2.01 0.24 -4.94 115.64 115.95 1xck s THR 48 Ca 0.67 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 1xck s THR 48 Cb -0.22 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1xck s THR 48 CO 0.61 0.46 0.03 -0.63 -0.69 0.00 0.00 174.62 174.39 1xck s ILE 49 N 0.40 4.52 0.10 1.82 1.01 -1.26 -0.20 121.20 127.58 1xck s ILE 49 Ca 0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1xck s ILE 49 Cb -0.12 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1xck s ILE 49 CO 0.00 0.50 0.27 0.28 0.00 0.00 0.00 174.94 175.99 1xck s THR 50 N 0.14 0.11 -0.04 2.92 -1.32 -0.34 -4.96 115.64 112.17 1xck s THR 50 Ca 0.03 -0.93 0.05 0.00 -1.21 0.00 0.00 61.69 59.63 1xck s THR 50 Cb -0.13 -1.24 0.08 0.00 -1.51 0.00 0.00 72.50 69.71 1xck s THR 50 CO 0.01 -0.51 1.00 0.29 -2.21 0.00 0.00 174.62 173.20 1xck n LYS 51 N -0.04 2.11 -3.07 7.08 5.02 -1.26 -0.21 118.16 127.78 1xck n LYS 51 Ca -0.16 -1.69 -0.43 0.00 -2.02 0.00 0.00 58.31 54.02 1xck n LYS 51 Cb 0.62 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.43 6.31 0.50 4.39 2.15 -1.26 -4.82 116.67 122.50 1xck s ASP 52 Ca 0.09 -0.48 0.19 0.00 0.43 0.00 0.00 52.55 52.78 1xck s ASP 52 Cb 0.08 -2.33 1.24 0.00 -0.30 0.00 0.00 42.92 41.61 1xck s ASP 52 CO 0.01 -0.89 2.03 1.23 -0.17 0.00 0.00 175.17 177.38 1xck h GLY 53 N 9.93 0.19 1.22 2.66 0.00 -1.93 -1.34 103.07 113.79 1xck h GLY 53 Ca -0.26 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1xck h GLY 53 CO 0.95 0.04 -0.29 -2.08 0.00 0.00 0.00 176.54 175.15 1xck h VAL 54 N 0.14 1.27 -0.15 4.60 2.07 -1.96 -0.80 116.25 121.42 1xck h VAL 54 Ca 0.20 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1xck h VAL 54 Cb 0.61 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xck h VAL 54 CO -0.03 0.49 0.03 0.28 0.02 0.00 0.00 177.57 178.36 1xck h SER 55 N 0.75 0.23 -0.12 0.57 0.02 -1.69 -2.02 113.55 111.29 1xck h SER 55 Ca 0.08 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1xck h SER 55 Cb 0.85 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1xck h SER 55 CO 0.07 0.40 -0.00 0.58 -1.14 0.00 0.00 176.83 176.74 1xck h VAL 56 N 0.04 0.92 -0.99 2.27 2.07 -1.34 -2.65 116.25 116.57 1xck h VAL 56 Ca 0.05 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1xck h VAL 56 Cb 0.26 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1xck h VAL 56 CO 0.00 0.01 0.64 0.00 0.02 0.00 0.00 177.57 178.24 1xck h ALA 57 N 1.10 1.42 -0.97 1.67 0.00 -1.05 -1.85 119.26 119.58 1xck h ALA 57 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 57 Cb 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 1xck h ALA 57 CO -0.09 0.44 0.60 -0.09 0.00 0.00 0.00 179.25 180.10 1xck h ARG 58 N 1.16 0.92 0.00 0.00 2.43 -1.00 -1.99 114.38 115.89 1xck h ARG 58 Ca 0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1xck h ARG 58 Cb 0.16 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1xck h ARG 58 CO -0.16 0.61 0.00 0.39 -1.51 0.00 0.00 179.97 179.29 1xck n GLU 59 N -4.65 0.20 -2.55 0.20 -0.58 -0.70 -4.84 120.64 107.71 1xck n GLU 59 Ca 0.18 0.28 -0.43 0.00 -0.42 0.00 0.00 57.16 56.77 1xck n GLU 59 Cb 0.35 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1xck n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xck s ILE 60 N -3.17 4.34 -0.12 -3.67 -1.09 -0.75 -4.99 121.20 111.75 1xck s ILE 60 Ca 0.08 1.52 -0.05 0.00 -2.23 0.00 0.00 60.65 59.97 1xck s ILE 60 Cb 0.12 -4.32 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1xck s ILE 60 CO 0.49 -0.51 0.27 -0.70 -1.23 0.00 0.00 174.94 173.25 1xck s GLU 61 N 3.91 0.20 0.04 2.79 2.12 -1.26 -4.89 118.70 121.61 1xck s GLU 61 Ca 0.50 0.64 -0.02 0.00 0.36 0.00 0.00 54.97 56.45 1xck s GLU 61 Cb -0.14 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 1xck s GLU 61 CO 0.20 -0.21 0.22 -0.51 -0.54 0.00 0.00 175.26 174.41 1xck s LEU 62 N 1.74 4.36 0.12 2.70 1.43 -1.26 -5.03 118.68 122.74 1xck s LEU 62 Ca -0.05 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1xck s LEU 62 Cb -0.11 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1xck s LEU 62 CO -0.09 0.20 1.52 -0.08 0.23 0.00 0.00 176.35 178.13 1xck h GLU 63 N 3.36 0.75 -6.33 1.70 4.81 -2.00 -3.42 114.58 113.45 1xck h GLU 63 Ca -0.47 -0.30 -0.54 0.00 -0.13 0.00 0.00 59.36 57.92 1xck h GLU 63 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1xck h GLU 63 CO 0.73 0.90 1.02 0.34 -0.73 0.00 0.00 179.01 181.27 1xck s ASP 64 N -6.39 6.68 0.21 1.04 -1.08 -1.26 -4.90 116.67 110.97 1xck s ASP 64 Ca -0.13 2.28 -0.09 0.00 -0.52 0.00 0.00 52.55 54.10 1xck s ASP 64 Cb 0.10 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.29 1xck s ASP 64 CO 0.82 -0.88 1.75 0.11 0.52 0.00 0.00 175.17 177.48 1xck h LYS 65 N 8.91 0.42 0.20 4.34 1.79 -1.94 0.33 116.57 130.61 1xck h LYS 65 Ca -0.40 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 1xck h LYS 65 Cb 1.18 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1xck h LYS 65 CO 0.94 0.27 -0.09 0.74 -1.08 0.00 0.00 179.45 180.23 1xck h PHE 66 N 0.43 -0.24 -0.93 -1.35 0.04 -1.94 -1.82 116.94 111.12 1xck h PHE 66 Ca 0.31 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.18 1xck h PHE 66 Cb 0.37 0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 1xck h PHE 66 CO -0.16 0.06 0.56 0.93 -0.60 0.00 0.00 178.31 179.10 1xck h GLU 67 N -0.55 0.88 -0.70 1.51 5.08 -1.62 -0.76 114.58 118.42 1xck h GLU 67 Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 67 Cb 0.41 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1xck h GLU 67 CO 0.04 0.58 0.32 -0.97 -1.00 0.00 0.00 179.01 177.99 1xck h ASN 68 N 0.91 0.90 -0.73 1.42 -1.24 -0.77 -2.00 115.58 114.08 1xck h ASN 68 Ca 0.46 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 1xck h ASN 68 Cb 0.44 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1xck h ASN 68 CO -0.26 0.78 0.43 0.24 -1.29 0.00 0.00 177.43 177.32 1xck h MET 69 N 0.99 1.02 -0.15 6.67 2.86 -0.27 0.10 114.93 126.15 1xck h MET 69 Ca 0.24 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1xck h MET 69 Cb 0.12 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1xck h MET 69 CO -0.03 0.73 0.03 0.78 1.06 0.00 0.00 176.91 179.48 1xck h GLY 70 N 1.06 0.26 0.90 8.32 0.00 -0.96 -1.44 103.07 111.21 1xck h GLY 70 Ca 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1xck h GLY 70 CO -0.05 0.15 0.03 0.00 0.00 0.00 0.00 176.54 176.68 1xck h ALA 71 N 0.82 0.08 -0.17 3.60 0.00 -0.96 -2.64 119.26 119.99 1xck h ALA 71 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 71 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xck h ALA 71 CO 0.00 -0.36 0.12 1.96 0.00 0.00 0.00 179.25 180.97 1xck h GLN 72 N -0.02 0.16 0.06 0.00 1.08 -0.76 -1.09 115.11 114.54 1xck h GLN 72 Ca 0.02 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1xck h GLN 72 Cb 0.11 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1xck h GLN 72 CO -0.00 0.11 -0.03 0.52 -0.95 0.00 0.00 178.83 178.47 1xck h MET 73 N 0.16 -0.08 -0.02 1.46 2.86 -0.89 -1.08 114.93 117.34 1xck h MET 73 Ca 0.07 0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1xck h MET 73 Cb 0.08 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1xck h MET 73 CO -0.01 0.25 -0.71 -0.39 1.06 0.00 0.00 176.91 177.10 1xck h VAL 74 N -0.41 1.46 -0.57 -2.22 -1.51 -1.36 -2.83 116.25 108.80 1xck h VAL 74 Ca -0.01 -2.31 0.04 0.00 -1.23 0.00 0.00 66.70 63.19 1xck h VAL 74 Cb 0.36 2.24 -0.04 0.00 -2.13 0.00 0.00 31.29 31.72 1xck h VAL 74 CO 0.01 0.67 0.31 0.50 -1.23 0.00 0.00 177.57 177.84 1xck h LYS 75 N 0.09 0.59 -0.14 5.19 3.64 -1.17 0.23 116.57 124.99 1xck h LYS 75 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1xck h LYS 75 Cb 1.27 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1xck h LYS 75 CO 0.10 0.39 -0.01 1.49 -2.27 0.00 0.00 179.45 179.15 1xck h GLU 76 N 0.61 0.26 -0.33 1.90 4.81 -1.07 -2.24 114.58 118.52 1xck h GLU 76 Ca 0.25 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1xck h GLU 76 Cb 0.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xck h GLU 76 CO -0.15 0.52 -0.03 0.28 -0.73 0.00 0.00 179.01 178.90 1xck h VAL 77 N -0.01 1.27 -0.38 0.32 2.07 -1.29 -2.93 116.25 115.29 1xck h VAL 77 Ca 0.04 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1xck h VAL 77 Cb 0.41 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1xck h VAL 77 CO 0.01 0.34 0.19 0.00 0.02 0.00 0.00 177.57 178.13 1xck h ALA 78 N 0.83 1.63 -0.36 1.67 0.00 -0.57 -1.24 119.26 121.21 1xck h ALA 78 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 78 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xck h ALA 78 CO 0.02 0.31 0.18 0.66 0.00 0.00 0.00 179.25 180.43 1xck h SER 79 N 0.52 0.44 -0.18 0.00 4.64 -1.21 -1.54 113.55 116.21 1xck h SER 79 Ca 0.13 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1xck h SER 79 Cb 0.04 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1xck h SER 79 CO -0.02 0.37 0.09 0.11 -0.87 0.00 0.00 176.83 176.51 1xck h LYS 80 N 0.50 0.29 -0.45 4.77 1.57 -1.17 -1.77 116.57 120.31 1xck h LYS 80 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xck h LYS 80 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xck h LYS 80 CO -0.02 0.24 0.28 0.00 -0.57 0.00 0.00 179.45 179.38 1xck h ALA 81 N 1.81 0.57 -0.51 3.86 0.00 -1.31 0.91 119.26 124.60 1xck h ALA 81 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 81 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xck h ALA 81 CO -0.01 0.04 0.17 -0.97 0.00 0.00 0.00 179.25 178.48 1xck h ASN 82 N 0.60 0.73 -0.56 0.00 -1.24 -1.39 -0.93 115.58 112.78 1xck h ASN 82 Ca 0.16 -0.20 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1xck h ASN 82 Cb -0.03 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1xck h ASN 82 CO -0.03 0.73 0.37 0.44 -1.29 0.00 0.00 177.43 177.65 1xck h ASP 83 N 0.69 0.63 -0.19 1.15 3.32 -0.93 0.79 116.42 121.88 1xck h ASP 83 Ca 0.16 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xck h ASP 83 Cb 0.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xck h ASP 83 CO -0.01 0.45 -0.05 0.00 -1.72 0.00 0.00 179.24 177.92 1xck h ALA 84 N 1.21 0.26 0.00 3.45 0.00 -0.51 -3.37 119.26 120.30 1xck h ALA 84 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 84 Cb -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 84 CO -0.05 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1xck n ALA 85 N -2.36 2.29 -1.03 0.00 0.00 -0.38 -5.00 120.51 114.03 1xck n ALA 85 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 1xck n ALA 85 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.19 0.50 3.61 0.00 0.00 0.28 -4.64 105.19 104.75 1xck n GLY 86 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.43 -0.03 0.00 1.61 2.15 -1.23 -4.93 116.67 111.82 1xck s ASP 87 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1xck s ASP 87 Cb 0.00 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1xck s ASP 87 CO 0.00 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1xck n GLY 88 N -0.53 0.58 0.15 2.66 0.00 -1.26 -3.70 105.19 103.10 1xck n GLY 88 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 0.80 -0.36 2.61 2.02 -1.89 0.13 112.91 116.22 1xck h THR 89 Ca 0.00 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xck h THR 89 Cb 0.00 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1xck h THR 89 CO 0.00 0.01 0.17 0.74 0.37 0.00 0.00 175.52 176.81 1xck h THR 90 N -0.32 0.97 0.02 3.16 2.02 -1.90 -0.99 112.91 115.87 1xck h THR 90 Ca -0.03 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1xck h THR 90 Cb 0.25 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1xck h THR 90 CO 0.05 0.06 -0.23 0.74 0.37 0.00 0.00 175.52 176.51 1xck h THR 91 N 0.35 0.46 -0.97 3.16 2.02 -1.95 0.99 112.91 116.98 1xck h THR 91 Ca 0.15 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.47 1xck h THR 91 Cb 0.07 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 1xck h THR 91 CO -0.11 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.39 1xck h ALA 92 N 0.47 1.63 0.08 6.16 0.00 -0.69 0.11 119.26 127.02 1xck h ALA 92 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 92 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 92 CO -0.20 0.10 -0.04 1.15 0.00 0.00 0.00 179.25 180.26 1xck h THR 93 N 0.88 1.08 -0.17 0.00 2.02 0.02 0.21 112.91 116.94 1xck h THR 93 Ca 0.50 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1xck h THR 93 Cb 0.62 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1xck h THR 93 CO -0.26 0.14 -0.16 -0.37 0.37 0.00 0.00 175.52 175.24 1xck h VAL 94 N -0.35 1.20 -0.24 3.16 -1.51 -0.02 -0.93 116.25 117.56 1xck h VAL 94 Ca -0.01 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.53 1xck h VAL 94 Cb 0.30 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1xck h VAL 94 CO 0.02 0.28 0.02 -0.07 -1.23 0.00 0.00 177.57 176.58 1xck h LEU 95 N 0.26 0.40 -0.70 4.19 3.38 -0.64 -1.73 115.31 120.46 1xck h LEU 95 Ca 0.05 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1xck h LEU 95 Cb 0.44 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1xck h LEU 95 CO 0.03 0.59 0.42 0.00 0.09 0.00 0.00 178.44 179.57 1xck h ALA 96 N 0.82 0.93 -0.31 1.53 0.00 -0.05 -0.01 119.26 122.17 1xck h ALA 96 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 96 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 96 CO 0.01 0.16 0.18 0.37 0.00 0.00 0.00 179.25 179.97 1xck h GLN 97 N 0.81 0.36 -0.27 0.00 4.15 -0.98 0.64 115.11 119.81 1xck h GLN 97 Ca 0.29 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.71 1xck h GLN 97 Cb 0.09 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1xck h GLN 97 CO -0.14 0.24 0.14 0.00 -1.93 0.00 0.00 178.83 177.14 1xck h ALA 98 N 1.14 0.33 -0.24 3.38 0.00 -0.65 0.75 119.26 123.96 1xck h ALA 98 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 98 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 98 CO -0.06 -0.25 0.01 0.82 0.00 0.00 0.00 179.25 179.77 1xck h ILE 99 N 0.29 1.25 -0.65 0.00 2.04 -0.75 -2.97 117.51 116.72 1xck h ILE 99 Ca 0.11 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1xck h ILE 99 Cb 0.03 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1xck h ILE 99 CO -0.07 0.27 0.31 0.40 0.00 0.00 0.00 178.15 179.06 1xck h ILE 100 N 0.21 1.22 0.58 -0.67 2.04 -0.67 0.97 117.51 121.18 1xck h ILE 100 Ca 0.07 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1xck h ILE 100 Cb 0.39 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1xck h ILE 100 CO 0.01 0.26 -0.33 0.74 0.00 0.00 0.00 178.15 178.83 1xck h THR 101 N 0.89 0.33 -0.54 -0.27 2.02 -0.83 -0.46 112.91 114.06 1xck h THR 101 Ca 0.22 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.30 1xck h THR 101 Cb 0.12 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1xck h THR 101 CO -0.03 0.00 -0.09 -0.33 0.37 0.00 0.00 175.52 175.45 1xck h GLU 102 N -0.85 0.99 -0.38 6.66 4.39 -1.51 -2.49 114.58 121.39 1xck h GLU 102 Ca -0.07 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.33 1xck h GLU 102 Cb 0.68 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1xck h GLU 102 CO 0.09 1.02 0.11 0.78 -1.16 0.00 0.00 179.01 179.85 1xck h GLY 103 N 0.96 0.47 1.38 -3.84 0.00 -0.66 -1.32 103.07 100.05 1xck h GLY 103 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1xck h GLY 103 CO 0.04 -0.00 0.02 1.41 0.00 0.00 0.00 176.54 178.02 1xck h LEU 104 N 0.25 0.73 -0.35 3.11 3.38 -0.94 -1.48 115.31 120.00 1xck h LEU 104 Ca 0.18 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xck h LEU 104 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xck h LEU 104 CO -0.21 0.78 0.20 0.11 0.09 0.00 0.00 178.44 179.42 1xck h LYS 105 N 0.72 0.40 -0.72 1.13 1.57 -0.88 -0.00 116.57 118.78 1xck h LYS 105 Ca 0.15 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1xck h LYS 105 Cb 0.41 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1xck h LYS 105 CO 0.01 0.26 0.43 0.00 -0.57 0.00 0.00 179.45 179.58 1xck h ALA 106 N 1.16 0.97 -0.66 3.86 0.00 -0.83 -0.24 119.26 123.51 1xck h ALA 106 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 106 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xck h ALA 106 CO -0.07 0.14 0.38 0.28 0.00 0.00 0.00 179.25 179.99 1xck h VAL 107 N 0.80 1.20 -0.19 0.00 2.07 -0.30 -1.99 116.25 117.83 1xck h VAL 107 Ca 0.31 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1xck h VAL 107 Cb 0.14 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1xck h VAL 107 CO -0.16 0.21 -0.17 0.00 0.02 0.00 0.00 177.57 177.47 1xck h ALA 108 N 1.19 1.36 0.00 1.67 0.00 -0.28 -0.30 119.26 122.90 1xck h ALA 108 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 108 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xck h ALA 108 CO -0.04 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1xck n ALA 109 N -2.48 1.73 0.00 0.00 0.00 -0.17 -4.86 120.51 114.73 1xck n ALA 109 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xck n ALA 109 Cb 0.32 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.08 0.90 3.82 0.00 0.00 -0.12 -5.08 105.19 104.79 1xck n GLY 110 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 3.79 -0.11 1.61 1.00 -0.85 -4.98 119.30 118.89 1xck s MET 111 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 55.69 56.48 1xck s MET 111 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 34.83 32.69 1xck s MET 111 CO 0.00 -0.41 1.34 1.21 0.00 0.00 0.00 175.02 177.16 1xck s ASN 112 N -2.77 6.90 0.20 3.03 3.84 -1.26 -4.47 114.94 120.41 1xck s ASN 112 Ca 0.61 1.86 -0.11 0.00 0.21 0.00 0.00 52.86 55.44 1xck s ASN 112 Cb -0.12 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.29 1xck s ASN 112 CO 0.29 -0.76 1.71 -0.65 -2.79 0.00 0.00 177.10 174.90 1xck h PRO 113 N 8.30 0.26 -0.79 0.43 0.11 -1.94 -0.64 132.00 137.73 1xck h PRO 113 Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1xck h PRO 113 Cb 1.13 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1xck h PRO 113 CO 0.95 0.17 0.46 0.52 -0.21 0.00 0.00 178.00 179.88 1xck h MET 114 N 0.26 1.09 -0.16 1.05 2.86 -1.91 -0.98 114.93 117.13 1xck h MET 114 Ca 0.29 -0.11 -0.19 0.00 -2.06 0.00 0.00 59.70 57.63 1xck h MET 114 Cb 0.41 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1xck h MET 114 CO -0.37 0.78 -0.68 -0.44 1.06 0.00 0.00 176.91 177.27 1xck h ASP 115 N 1.10 0.76 -0.58 1.22 3.32 -1.71 -1.81 116.42 118.71 1xck h ASP 115 Ca 0.28 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1xck h ASP 115 Cb -0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1xck h ASP 115 CO -0.05 1.23 0.38 -0.07 -1.72 0.00 0.00 179.24 179.01 1xck h LEU 116 N 0.47 0.68 -0.18 1.55 3.38 -0.78 -0.94 115.31 119.48 1xck h LEU 116 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xck h LEU 116 Cb 1.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xck h LEU 116 CO 0.13 0.50 0.07 0.50 0.09 0.00 0.00 178.44 179.73 1xck h LYS 117 N 0.79 0.27 -0.96 1.13 3.64 -1.13 -0.92 116.57 119.39 1xck h LYS 117 Ca 0.21 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1xck h LYS 117 Cb -0.08 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 1xck h LYS 117 CO -0.04 0.35 0.61 -0.09 -2.27 0.00 0.00 179.45 178.01 1xck h ARG 118 N 0.14 1.06 -0.31 1.90 2.43 -1.02 0.72 114.38 119.30 1xck h ARG 118 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1xck h ARG 118 Cb 0.18 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1xck h ARG 118 CO -0.00 0.70 0.03 0.78 -1.51 0.00 0.00 179.97 179.97 1xck h GLY 119 N 1.09 0.56 0.74 2.80 0.00 -0.92 -0.25 103.07 107.09 1xck h GLY 119 Ca 0.43 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1xck h GLY 119 CO -0.19 0.36 0.25 -2.22 0.00 0.00 0.00 176.54 174.73 1xck h ILE 120 N 0.33 0.96 -0.51 2.60 2.04 -0.39 -0.53 117.51 122.00 1xck h ILE 120 Ca 0.09 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1xck h ILE 120 Cb 0.37 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1xck h ILE 120 CO 0.01 0.09 0.25 0.44 0.00 0.00 0.00 178.15 178.94 1xck h ASP 121 N 0.49 0.67 -0.42 1.72 3.32 -0.67 -0.88 116.42 120.64 1xck h ASP 121 Ca 0.21 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1xck h ASP 121 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1xck h ASP 121 CO -0.15 0.61 0.23 0.50 -1.72 0.00 0.00 179.24 178.71 1xck h LYS 122 N 0.68 0.45 -0.62 3.56 3.64 -0.46 0.12 116.57 123.95 1xck h LYS 122 Ca 0.18 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1xck h LYS 122 Cb 0.11 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1xck h LYS 122 CO -0.02 0.30 0.38 0.00 -2.27 0.00 0.00 179.45 177.84 1xck h ALA 123 N 1.20 0.80 -0.54 5.00 0.00 -0.83 -1.71 119.26 123.18 1xck h ALA 123 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 123 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xck h ALA 123 CO -0.10 0.13 0.11 0.28 0.00 0.00 0.00 179.25 179.67 1xck h VAL 124 N 0.76 1.25 -0.95 0.00 2.07 -0.50 0.12 116.25 118.99 1xck h VAL 124 Ca 0.24 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1xck h VAL 124 Cb 0.00 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1xck h VAL 124 CO -0.09 0.33 0.63 0.74 0.02 0.00 0.00 177.57 179.20 1xck h THR 125 N 0.76 1.23 -0.28 2.57 2.02 -0.42 0.22 112.91 119.02 1xck h THR 125 Ca 0.17 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1xck h THR 125 Cb 0.37 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1xck h THR 125 CO 0.01 0.23 -0.15 0.00 0.37 0.00 0.00 175.52 175.98 1xck h ALA 126 N 1.36 0.39 -0.92 6.16 0.00 -1.08 -2.81 119.26 122.35 1xck h ALA 126 Ca 0.35 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 126 Cb -0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1xck h ALA 126 CO -0.08 0.29 0.59 0.00 0.00 0.00 0.00 179.25 180.05 1xck h ALA 127 N 0.73 1.24 -0.54 0.00 0.00 0.05 -0.35 119.26 120.39 1xck h ALA 127 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 127 Cb 0.68 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xck h ALA 127 CO 0.04 0.43 0.08 0.28 0.00 0.00 0.00 179.25 180.08 1xck h VAL 128 N 1.13 1.24 -0.32 0.00 2.07 -0.52 -0.27 116.25 119.58 1xck h VAL 128 Ca 0.38 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.80 1xck h VAL 128 Cb 0.05 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1xck h VAL 128 CO -0.14 0.34 -0.43 -0.08 0.02 0.00 0.00 177.57 177.28 1xck h GLU 129 N 0.83 0.81 -0.21 1.57 4.57 -1.06 -2.39 114.58 118.71 1xck h GLU 129 Ca 0.17 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 1xck h GLU 129 Cb 0.38 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1xck h GLU 129 CO 0.01 1.08 -0.12 1.49 -1.18 0.00 0.00 179.01 180.30 1xck h GLU 130 N 0.66 0.33 -0.54 1.92 4.57 -0.78 -2.24 114.58 118.50 1xck h GLU 130 Ca 0.04 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1xck h GLU 130 Cb 1.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1xck h GLU 130 CO 0.10 0.46 -0.03 1.25 -1.18 0.00 0.00 179.01 179.60 1xck h LEU 131 N 0.32 0.93 -0.66 1.64 5.85 -0.70 -1.44 115.31 121.24 1xck h LEU 131 Ca 0.06 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1xck h LEU 131 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1xck h LEU 131 CO 0.02 1.01 -0.05 0.11 -0.34 0.00 0.00 178.44 179.19 1xck h LYS 132 N 0.87 0.99 -0.13 1.25 1.57 -0.92 -1.30 116.57 118.90 1xck h LYS 132 Ca 0.15 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1xck h LYS 132 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1xck h LYS 132 CO 0.03 1.00 -0.27 0.00 -0.57 0.00 0.00 179.45 179.65 1xck h ALA 133 N 1.03 1.31 -0.00 3.86 0.00 -1.17 -2.70 119.26 121.59 1xck h ALA 133 Ca 0.15 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 133 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xck h ALA 133 CO 0.04 0.47 -0.85 1.25 0.00 0.00 0.00 179.25 180.16 1xck h LEU 134 N 0.22 0.23 -9.50 0.00 6.46 -0.91 -3.46 115.31 108.34 1xck h LEU 134 Ca 0.03 -0.18 -0.60 0.00 -0.12 0.00 0.00 57.88 57.00 1xck h LEU 134 Cb 0.59 -0.07 0.08 0.00 -0.73 0.00 0.00 40.66 40.53 1xck h LEU 134 CO 0.04 0.98 0.52 -0.24 -0.62 0.00 0.00 178.44 179.12 1xck n SER 135 N -3.67 2.35 -4.69 1.25 2.88 -0.52 -4.89 113.62 106.33 1xck n SER 135 Ca -0.03 1.14 -0.35 0.00 -1.33 0.00 0.00 58.87 58.30 1xck n SER 135 Cb 0.79 -1.36 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 1xck n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xck s VAL 136 N -0.03 4.81 0.58 2.46 1.01 0.40 -4.89 120.40 124.73 1xck s VAL 136 Ca 0.71 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1xck s VAL 136 Cb -0.71 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xck s VAL 136 CO 0.50 0.52 1.14 -2.84 0.00 0.00 0.00 175.10 174.42 1xck s PRO 137 N -0.16 3.16 -0.44 2.72 0.02 -1.26 -0.58 135.00 138.46 1xck s PRO 137 Ca 0.07 1.62 0.02 0.00 0.02 0.00 0.00 61.00 62.73 1xck s PRO 137 Cb -0.12 -1.98 0.14 0.00 0.02 0.00 0.00 34.50 32.56 1xck s PRO 137 CO 0.01 -1.01 0.24 0.00 -0.33 0.00 0.00 177.00 175.92 1xck n SER 139 N 3.53 0.10 -4.76 0.00 7.64 -1.26 -4.23 113.62 114.64 1xck n SER 139 Ca 0.09 0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 1xck n SER 139 Cb 0.35 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -5.09 5.31 0.00 6.43 -4.77 -1.26 -4.82 116.67 112.48 1xck s ASP 140 Ca 0.00 2.37 0.10 0.00 -3.30 0.00 0.00 52.55 51.72 1xck s ASP 140 Cb 0.00 -2.60 0.50 0.00 -1.09 0.00 0.00 42.92 39.73 1xck s ASP 140 CO 0.00 -1.51 1.18 -1.54 0.70 0.00 0.00 175.17 174.01 1xck n SER 141 N -1.48 0.00 0.02 2.11 3.41 -1.26 -1.53 113.62 114.90 1xck n SER 141 Ca 0.13 0.11 -0.18 0.00 -0.26 0.00 0.00 58.87 58.67 1xck n SER 141 Cb 0.50 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.42 -0.31 4.33 3.64 -2.00 -2.62 116.57 120.03 1xck h LYS 142 Ca 0.00 -0.49 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1xck h LYS 142 Cb 0.09 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1xck h LYS 142 CO 0.00 1.16 -0.05 0.00 -2.27 0.00 0.00 179.45 178.28 1xck h ALA 143 N 0.29 0.43 -0.75 5.00 0.00 -1.63 -2.41 119.26 120.17 1xck h ALA 143 Ca -0.10 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xck h ALA 143 Cb 1.42 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1xck h ALA 143 CO 0.14 0.23 0.36 0.82 0.00 0.00 0.00 179.25 180.79 1xck h ILE 144 N 0.36 0.77 -0.60 0.00 2.04 -1.48 0.71 117.51 119.33 1xck h ILE 144 Ca 0.08 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1xck h ILE 144 Cb 0.53 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1xck h ILE 144 CO 0.03 0.10 0.07 0.00 0.00 0.00 0.00 178.15 178.35 1xck h ALA 145 N 1.49 0.99 0.05 1.87 0.00 -1.30 -1.11 119.26 121.26 1xck h ALA 145 Ca 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 145 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xck h ALA 145 CO -0.32 0.63 -0.03 1.96 0.00 0.00 0.00 179.25 181.49 1xck h GLN 146 N 0.92 -0.07 -0.98 0.00 4.20 -0.52 0.60 115.11 119.26 1xck h GLN 146 Ca 0.18 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1xck h GLN 146 Cb 0.44 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1xck h GLN 146 CO 0.02 0.14 0.64 0.28 -0.67 0.00 0.00 178.83 179.23 1xck h VAL 147 N -0.27 1.25 -0.51 -0.54 2.07 -0.86 -1.16 116.25 116.23 1xck h VAL 147 Ca -0.01 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1xck h VAL 147 Cb 0.24 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 1xck h VAL 147 CO 0.01 0.25 0.01 1.23 0.02 0.00 0.00 177.57 179.09 1xck h GLY 148 N 1.33 0.91 1.01 2.17 0.00 -0.97 -1.26 103.07 106.26 1xck h GLY 148 Ca 0.36 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1xck h GLY 148 CO -0.08 0.57 -0.01 -0.84 0.00 0.00 0.00 176.54 176.18 1xck h THR 149 N 0.79 1.26 -0.43 4.70 2.02 -0.11 -1.73 112.91 119.42 1xck h THR 149 Ca 0.15 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1xck h THR 149 Cb 0.46 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1xck h THR 149 CO 0.02 0.38 0.02 0.40 0.37 0.00 0.00 175.52 176.71 1xck h ILE 150 N 0.72 1.26 0.00 3.11 2.04 -1.05 0.22 117.51 123.80 1xck h ILE 150 Ca 0.14 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1xck h ILE 150 Cb 0.53 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1xck h ILE 150 CO 0.03 0.34 0.00 0.28 0.00 0.00 0.00 178.15 178.79 1xck h SER 151 N 0.58 0.00 -0.67 1.72 0.02 -1.15 -2.35 113.55 111.70 1xck h SER 151 Ca 0.12 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.88 1xck h SER 151 Cb 0.45 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.87 1xck h SER 151 CO 0.02 0.00 0.22 0.00 -1.14 0.00 0.00 176.83 175.93 1xck n ALA 152 N -1.91 4.42 -3.28 3.77 0.00 -0.66 -4.34 120.51 118.51 1xck n ALA 152 Ca 0.01 -2.40 -0.16 0.00 0.00 0.00 0.00 53.44 50.88 1xck n ALA 152 Cb 0.23 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.25 -3.46 -1.39 0.00 5.15 -0.88 -3.01 115.26 111.41 1xck n ASN 153 Ca 0.39 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.74 1xck n ASN 153 Cb 1.32 -4.31 -0.02 0.00 -0.53 0.00 0.00 39.78 36.24 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 -2.56 -4.37 -4.39 1.20 7.64 0.73 -4.97 113.62 106.90 1xck n SER 154 Ca -0.14 0.10 -0.45 0.00 1.01 0.00 0.00 58.87 59.39 1xck n SER 154 Cb 0.61 -3.39 -0.04 0.00 -1.01 0.00 0.00 64.21 60.38 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 -2.54 6.31 0.45 6.43 -1.08 -1.08 -4.91 116.67 120.25 1xck s ASP 155 Ca 0.00 -1.60 0.18 0.00 -0.52 0.00 0.00 52.55 50.61 1xck s ASP 155 Cb 0.00 -2.32 1.14 0.00 -1.46 0.00 0.00 42.92 40.27 1xck s ASP 155 CO 0.00 -1.10 1.94 -0.33 0.52 0.00 0.00 175.17 176.21 1xck h GLU 156 N 9.04 0.30 -0.22 4.34 5.08 -1.92 -2.32 114.58 128.88 1xck h GLU 156 Ca -0.19 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1xck h GLU 156 Cb 1.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1xck h GLU 156 CO 1.08 0.20 -0.04 1.15 -1.00 0.00 0.00 179.01 180.40 1xck h THR 157 N 0.31 0.80 -0.67 1.13 2.02 -1.97 0.31 112.91 114.84 1xck h THR 157 Ca 0.33 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 1xck h THR 157 Cb 0.87 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1xck h THR 157 CO -0.08 0.00 0.39 0.58 0.37 0.00 0.00 175.52 176.78 1xck h VAL 158 N 0.02 1.20 -0.29 3.16 2.07 -1.77 0.72 116.25 121.36 1xck h VAL 158 Ca 0.11 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1xck h VAL 158 Cb 0.15 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1xck h VAL 158 CO -0.21 0.21 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1xck h GLY 159 N 0.91 0.40 0.75 2.17 0.00 -1.34 -0.97 103.07 104.99 1xck h GLY 159 Ca 0.24 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1xck h GLY 159 CO -0.04 0.13 -0.01 1.70 0.00 0.00 0.00 176.54 178.31 1xck h LYS 160 N 0.36 0.03 -0.35 4.80 3.64 -0.52 -0.82 116.57 123.72 1xck h LYS 160 Ca 0.11 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1xck h LYS 160 Cb -0.02 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1xck h LYS 160 CO -0.04 0.02 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.06 1xck h LEU 161 N 0.03 -0.21 -0.40 5.20 3.38 -0.50 -0.78 115.31 122.05 1xck h LEU 161 Ca 0.07 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xck h LEU 161 Cb 0.09 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1xck h LEU 161 CO -0.13 -0.07 0.07 0.40 0.09 0.00 0.00 178.44 178.80 1xck h ILE 162 N 0.06 1.24 -0.76 1.22 2.04 -0.96 -1.28 117.51 119.07 1xck h ILE 162 Ca 0.17 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1xck h ILE 162 Cb 0.24 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1xck h ILE 162 CO -0.31 0.30 0.47 0.00 0.00 0.00 0.00 178.15 178.61 1xck h ALA 163 N 0.93 0.97 -0.19 1.87 0.00 -0.88 -0.28 119.26 121.67 1xck h ALA 163 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 163 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 163 CO 0.01 0.42 0.09 0.93 0.00 0.00 0.00 179.25 180.70 1xck h GLU 164 N 1.03 0.27 -0.13 0.00 5.08 -0.98 -1.29 114.58 118.57 1xck h GLU 164 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xck h GLU 164 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1xck h GLU 164 CO -0.05 0.29 0.08 0.00 -1.00 0.00 0.00 179.01 178.33 1xck h ALA 165 N 0.96 0.16 -0.22 3.43 0.00 -0.89 -1.78 119.26 120.92 1xck h ALA 165 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 165 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 165 CO -0.01 -0.36 0.09 0.52 0.00 0.00 0.00 179.25 179.50 1xck h MET 166 N 0.17 0.30 -0.37 0.00 2.86 -0.98 -1.22 114.93 115.69 1xck h MET 166 Ca 0.05 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1xck h MET 166 Cb -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1xck h MET 166 CO -0.02 0.25 -0.27 0.22 1.06 0.00 0.00 176.91 178.15 1xck h ASP 167 N 0.30 0.79 0.75 1.22 3.58 -0.75 0.42 116.42 122.74 1xck h ASP 167 Ca 0.08 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1xck h ASP 167 Cb 0.06 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 40.90 1xck h ASP 167 CO -0.01 1.02 -0.36 0.11 -2.88 0.00 0.00 179.24 177.12 1xck h LYS 168 N 0.66 -0.97 -0.07 0.28 1.79 -0.39 -3.33 116.57 114.53 1xck h LYS 168 Ca 0.08 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1xck h LYS 168 Cb 0.79 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1xck h LYS 168 CO 0.07 -0.64 0.00 1.33 -1.08 0.00 0.00 179.45 179.12 1xck n VAL 169 N -5.45 0.07 0.00 0.50 0.24 -0.79 -5.08 118.33 107.82 1xck n VAL 169 Ca -0.13 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1xck n VAL 169 Cb 0.40 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.26 -1.27 0.25 7.63 0.00 0.15 -2.80 105.19 110.41 1xck n GLY 170 Ca 0.17 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.64 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 0.19 0.00 1.61 1.57 -1.94 -1.66 116.57 116.34 1xck h LYS 171 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xck h LYS 171 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xck h LYS 171 CO 0.00 0.28 -0.53 0.93 -0.57 0.00 0.00 179.45 179.56 1xck h GLU 172 N 0.19 0.00 -6.69 3.15 4.39 -1.92 -3.48 114.58 110.21 1xck h GLU 172 Ca 0.04 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.21 1xck h GLU 172 Cb 0.25 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 29.12 1xck h GLU 172 CO 0.01 0.00 -0.70 0.41 -1.16 0.00 0.00 179.01 177.58 1xck n GLY 173 N 1.24 -2.26 3.68 -3.84 0.00 -0.63 -4.96 105.19 98.42 1xck n GLY 173 Ca 0.03 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1xck n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 174 N -2.32 5.08 -0.13 1.61 1.01 -1.26 -4.95 120.40 119.45 1xck s VAL 174 Ca 0.56 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.65 1xck s VAL 174 Cb -0.22 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1xck s VAL 174 CO 0.68 0.19 -0.19 -0.63 0.00 0.00 0.00 175.10 175.16 1xck s ILE 175 N 1.46 1.78 0.09 2.22 1.01 -1.26 -1.37 121.20 125.12 1xck s ILE 175 Ca 0.27 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1xck s ILE 175 Cb -0.16 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1xck s ILE 175 CO 0.11 0.50 -0.14 -0.89 0.00 0.00 0.00 174.94 174.52 1xck s THR 176 N 0.92 3.13 -0.05 2.92 2.01 0.22 -4.99 115.64 119.81 1xck s THR 176 Ca -0.06 -1.29 0.02 0.00 0.31 0.00 0.00 61.69 60.67 1xck s THR 176 Cb -0.15 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1xck s THR 176 CO -0.02 0.17 -0.10 0.54 -0.69 0.00 0.00 174.62 174.52 1xck s VAL 177 N -1.12 0.92 0.24 3.82 0.11 -1.26 -0.16 120.40 122.94 1xck s VAL 177 Ca 0.19 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1xck s VAL 177 Cb -0.11 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1xck s VAL 177 CO 0.11 0.30 0.16 -1.83 -3.33 0.00 0.00 175.10 170.50 1xck s GLU 178 N 0.54 1.35 0.44 1.54 -1.05 -0.04 -4.96 118.70 116.52 1xck s GLU 178 Ca -0.10 -1.73 -0.25 0.00 -0.15 0.00 0.00 54.97 52.74 1xck s GLU 178 Cb -0.13 0.23 -0.09 0.00 -0.44 0.00 0.00 34.13 33.70 1xck s GLU 178 CO 0.02 -0.44 1.36 -0.25 0.95 0.00 0.00 175.26 176.90 1xck n ASP 179 N -0.57 2.99 -4.91 0.83 8.00 -1.26 -2.09 116.55 119.53 1xck n ASP 179 Ca 0.03 1.11 -0.27 0.00 0.71 0.00 0.00 54.79 56.37 1xck n ASP 179 Cb 0.65 -1.56 0.03 0.00 -0.02 0.00 0.00 41.12 40.22 1xck n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xck s GLY 180 N -0.51 1.60 0.00 0.44 0.00 -0.75 -4.49 107.32 103.62 1xck s GLY 180 Ca 0.61 -0.67 0.27 0.00 0.00 0.00 0.00 44.72 44.94 1xck s GLY 180 CO 0.57 -0.39 1.67 -1.30 0.00 0.00 0.00 173.10 173.66 1xck n THR 181 N -2.59 0.01 0.00 0.90 -2.24 -1.26 -4.90 114.28 104.20 1xck n THR 181 Ca 0.04 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1xck n THR 181 Cb 0.57 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1xck n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 182 N 1.20 4.29 0.30 3.38 0.00 -1.26 -5.04 105.19 108.06 1xck n GLY 182 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1xck n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xck n LEU 183 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.51 117.00 112.22 1xck n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xck n LEU 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xck n LEU 183 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xck n GLN 184 N -0.05 0.00 -1.54 1.96 6.02 -1.26 -4.69 117.38 117.82 1xck n GLN 184 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1xck n GLN 184 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 0.00 5.20 -0.05 1.08 1.01 -1.26 -3.60 116.67 119.06 1xck s ASP 185 Ca 0.00 1.60 -0.04 0.00 0.71 0.00 0.00 52.55 54.82 1xck s ASP 185 Cb 0.00 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1xck s ASP 185 CO 0.00 -1.56 0.12 -1.61 0.21 0.00 0.00 175.17 172.34 1xck s GLU 186 N -5.04 0.14 -0.10 8.23 2.02 -0.68 -4.91 118.70 118.36 1xck s GLU 186 Ca 0.59 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1xck s GLU 186 Cb -0.14 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.18 1xck s GLU 186 CO 0.55 -0.02 -0.08 -1.17 0.02 0.00 0.00 175.26 174.56 1xck s LEU 187 N 0.07 1.27 -0.04 1.80 2.96 -1.26 -0.60 118.68 122.88 1xck s LEU 187 Ca -0.00 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1xck s LEU 187 Cb -0.01 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.88 1xck s LEU 187 CO 0.00 -0.09 0.13 -1.81 -1.32 0.00 0.00 176.35 173.26 1xck s ASP 188 N 1.46 -0.09 -0.18 3.68 1.01 -0.96 -4.97 116.67 116.63 1xck s ASP 188 Ca 0.00 0.13 -0.09 0.00 0.71 0.00 0.00 52.55 53.31 1xck s ASP 188 Cb -0.13 0.25 -0.05 0.00 1.01 0.00 0.00 42.92 44.00 1xck s ASP 188 CO -0.05 -0.12 0.12 -0.69 0.21 0.00 0.00 175.17 174.63 1xck s VAL 189 N -0.30 5.28 0.12 -1.27 1.01 -1.26 -0.05 120.40 123.94 1xck s VAL 189 Ca -0.04 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1xck s VAL 189 Cb -0.03 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1xck s VAL 189 CO 0.00 0.47 -0.18 0.68 0.00 0.00 0.00 175.10 176.07 1xck s VAL 190 N 0.13 1.65 -0.13 2.92 -7.23 0.15 -4.85 120.40 113.04 1xck s VAL 190 Ca 0.08 -1.67 -0.37 0.00 -1.81 0.00 0.00 61.98 58.20 1xck s VAL 190 Cb -0.11 -1.61 -0.15 0.00 0.56 0.00 0.00 36.38 35.07 1xck s VAL 190 CO -0.01 -0.21 1.71 -0.62 -0.31 0.00 0.00 175.10 175.66 1xck n GLU 191 N 0.76 1.53 -3.90 4.82 -0.58 -1.26 -0.76 120.64 121.25 1xck n GLU 191 Ca -0.17 0.56 0.01 0.00 -0.42 0.00 0.00 57.16 57.14 1xck n GLU 191 Cb 0.55 -2.29 0.01 0.00 -0.57 0.00 0.00 31.44 29.14 1xck n GLU 191 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 192 N 2.98 -0.10 0.15 0.62 0.00 -1.26 0.40 107.32 110.11 1xck s GLY 192 Ca 0.93 0.02 -0.24 0.00 0.00 0.00 0.00 44.72 45.43 1xck s GLY 192 CO 0.56 3.72 0.72 -0.29 0.00 0.00 0.00 173.10 177.81 1xck s MET 193 N -2.16 1.27 -0.12 2.90 1.75 -0.55 -3.95 119.30 118.44 1xck s MET 193 Ca 0.24 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 54.08 1xck s MET 193 Cb -0.00 0.53 0.05 0.00 2.84 0.00 0.00 34.83 38.25 1xck s MET 193 CO 0.01 -0.56 0.26 -1.14 -0.65 0.00 0.00 175.02 172.93 1xck s GLN 194 N -3.60 0.21 0.29 4.11 0.74 -1.26 -0.24 119.66 119.90 1xck s GLN 194 Ca 0.05 0.60 0.10 0.00 0.05 0.00 0.00 55.36 56.16 1xck s GLN 194 Cb -0.02 -0.09 -0.06 0.00 1.10 0.00 0.00 33.01 33.94 1xck s GLN 194 CO -0.07 -0.19 -0.14 -0.59 -0.55 0.00 0.00 175.29 173.74 1xck s PHE 195 N 1.54 2.21 -1.50 1.67 -0.71 -0.47 -5.00 117.98 115.73 1xck s PHE 195 Ca -0.07 -0.46 -0.08 0.00 -1.04 0.00 0.00 56.93 55.28 1xck s PHE 195 Cb -0.11 -1.10 0.00 0.00 -1.21 0.00 0.00 43.02 40.61 1xck s PHE 195 CO -0.09 0.58 2.69 -0.25 -1.34 0.00 0.00 175.22 176.81 1xck n ASP 196 N -0.64 8.17 -3.91 1.98 8.00 -1.26 -1.97 116.55 126.92 1xck n ASP 196 Ca -0.05 -2.81 -0.16 0.00 0.71 0.00 0.00 54.79 52.48 1xck n ASP 196 Cb 0.61 -1.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.08 1xck n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xck s ARG 197 N 0.94 0.35 0.38 -1.24 1.81 -1.19 -4.82 118.95 115.18 1xck s ARG 197 Ca 0.62 -0.09 0.04 0.00 -1.72 0.00 0.00 55.73 54.57 1xck s ARG 197 Cb 0.18 -0.38 0.04 0.00 -0.45 0.00 0.00 34.95 34.33 1xck s ARG 197 CO -0.07 0.03 0.30 0.41 -0.68 0.00 0.00 175.30 175.28 1xck n GLY 198 N 3.30 2.79 3.70 -3.53 0.00 -1.26 -1.11 105.19 109.08 1xck n GLY 198 Ca -0.17 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.19 1xck n GLY 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xck n TYR 199 N -1.41 2.17 1.86 1.61 0.18 -0.78 -4.42 117.16 116.37 1xck n TYR 199 Ca -0.01 0.50 0.11 0.00 1.88 0.00 0.00 57.90 60.39 1xck n TYR 199 Cb 0.43 -2.38 0.66 0.00 -0.38 0.00 0.00 39.34 37.67 1xck n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1xck n LEU 200 N 0.25 0.00 -3.64 -3.48 4.77 -0.17 -4.78 117.00 109.95 1xck n LEU 200 Ca 0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1xck n LEU 200 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1xck n LEU 200 CO 0.59 0.00 1.04 -0.55 -1.33 0.00 0.00 177.39 177.14 1xck s SER 201 N -1.77 -0.16 0.00 -1.43 0.15 -1.26 -5.09 113.70 104.14 1xck s SER 201 Ca 0.34 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1xck s SER 201 Cb 0.15 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1xck s SER 201 CO 0.26 -0.07 0.00 -2.65 1.20 0.00 0.00 173.24 171.98 1xck n PRO 202 N 1.57 2.63 0.00 5.44 -0.02 -1.26 -3.50 135.00 139.86 1xck n PRO 202 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1xck n PRO 202 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.00 0.00 0.33 6.00 4.01 -1.26 -4.07 117.16 122.17 1xck n TYR 203 Ca 0.00 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.95 1xck n TYR 203 Cb 0.00 0.00 1.15 0.00 -0.31 0.00 0.00 39.34 40.18 1xck n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xck h PHE 204 N 0.00 0.00 -2.30 -0.72 0.04 -1.91 -3.42 116.94 108.63 1xck h PHE 204 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1xck h PHE 204 Cb 0.00 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.18 1xck h PHE 204 CO 0.00 0.00 1.15 -0.89 -0.60 0.00 0.00 178.31 177.98 1xck n ILE 205 N -3.20 0.60 -0.29 -0.55 5.41 -1.26 -4.67 119.36 115.40 1xck n ILE 205 Ca -0.03 -0.11 0.02 0.00 1.00 0.00 0.00 62.75 63.63 1xck n ILE 205 Cb 0.09 -2.13 0.02 0.00 -0.71 0.00 0.00 39.64 36.91 1xck n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xck n ASN 206 N 6.68 1.87 -3.17 4.38 0.23 -1.09 -4.72 115.26 119.45 1xck n ASN 206 Ca 0.20 -2.11 -0.21 0.00 -0.53 0.00 0.00 54.58 51.93 1xck n ASN 206 Cb 0.37 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.61 1.27 -0.44 -3.83 4.76 -0.77 -4.92 118.16 113.62 1xck n LYS 207 Ca 0.03 -3.59 0.38 0.00 -2.87 0.00 0.00 58.31 52.26 1xck n LYS 207 Cb 0.34 -1.69 0.66 0.00 -1.84 0.00 0.00 35.03 32.51 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 3.29 0.01 0.02 1.97 0.13 -1.84 0.53 132.00 136.12 1xck h PRO 208 Ca 0.10 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1xck h PRO 208 Cb 0.87 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 1xck h PRO 208 CO 0.55 0.01 -0.28 0.93 -0.23 0.00 0.00 178.00 178.98 1xck h GLU 209 N 0.01 -0.35 -0.04 0.86 3.07 -1.95 -2.39 114.58 113.80 1xck h GLU 209 Ca 0.87 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.76 1xck h GLU 209 Cb 2.69 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 30.68 1xck h GLU 209 CO -0.53 -0.23 0.00 0.25 -1.40 0.00 0.00 179.01 177.10 1xck n THR 210 N -4.02 0.04 -3.80 1.13 -2.24 -0.39 -4.94 114.28 100.06 1xck n THR 210 Ca -0.04 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1xck n THR 210 Cb 0.21 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 211 N 1.14 -0.51 3.33 3.38 0.00 0.17 -4.98 105.19 107.72 1xck n GLY 211 Ca 0.19 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.31 1.93 -0.15 4.61 0.00 -1.14 -4.57 121.76 119.14 1xck s ALA 212 Ca 0.63 -1.65 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1xck s ALA 212 Cb -0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1xck s ALA 212 CO 0.79 0.01 0.28 0.08 0.00 0.00 0.00 175.76 176.92 1xck s VAL 213 N -3.06 5.31 -0.23 0.00 1.01 -0.30 -1.85 120.40 121.27 1xck s VAL 213 Ca 0.22 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 1xck s VAL 213 Cb 0.00 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1xck s VAL 213 CO 0.06 0.43 0.05 -0.70 0.00 0.00 0.00 175.10 174.94 1xck s GLU 214 N 0.20 0.72 -0.10 2.72 2.12 -1.26 -0.61 118.70 122.50 1xck s GLU 214 Ca 0.16 -0.65 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1xck s GLU 214 Cb -0.13 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1xck s GLU 214 CO 0.04 -0.75 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.48 1xck s LEU 215 N 1.77 3.41 -0.10 2.70 1.43 -0.82 -4.99 118.68 122.08 1xck s LEU 215 Ca 0.02 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1xck s LEU 215 Cb -0.17 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1xck s LEU 215 CO -0.14 0.32 -0.10 -1.61 0.23 0.00 0.00 176.35 175.05 1xck s GLU 216 N -0.54 3.07 -1.54 1.70 2.02 -1.26 -1.55 118.70 120.60 1xck s GLU 216 Ca 0.09 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 1xck s GLU 216 Cb -0.12 -2.62 0.05 0.00 0.10 0.00 0.00 34.13 31.55 1xck s GLU 216 CO 0.02 0.44 0.45 0.43 0.02 0.00 0.00 175.26 176.61 1xck n SER 217 N 2.89 -0.95 -4.88 -0.19 7.64 0.46 -4.55 113.62 114.03 1xck n SER 217 Ca -0.18 -1.07 -0.30 0.00 1.01 0.00 0.00 58.87 58.34 1xck n SER 217 Cb 0.53 -2.62 -0.02 0.00 -1.01 0.00 0.00 64.21 61.08 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 -6.85 3.71 0.30 1.43 0.04 -1.20 -4.53 135.00 127.89 1xck s PRO 218 Ca 0.24 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.60 1xck s PRO 218 Cb -0.13 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1xck s PRO 218 CO 0.93 -0.11 0.64 -0.06 0.04 0.00 0.00 177.00 178.44 1xck s PHE 219 N -2.51 3.44 -0.19 0.56 0.08 -0.81 -3.40 117.98 115.15 1xck s PHE 219 Ca 0.50 0.93 0.01 0.00 0.12 0.00 0.00 56.93 58.49 1xck s PHE 219 Cb -0.10 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1xck s PHE 219 CO 0.36 0.12 -0.15 0.42 -0.10 0.00 0.00 175.22 175.87 1xck s ILE 220 N -2.04 1.87 -0.24 0.64 1.01 -0.17 -0.31 121.20 121.95 1xck s ILE 220 Ca 0.49 -0.98 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1xck s ILE 220 Cb -0.11 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1xck s ILE 220 CO 0.25 0.36 0.57 -0.22 0.00 0.00 0.00 174.94 175.90 1xck s LEU 221 N 1.33 4.08 -0.41 2.97 2.96 0.18 -0.60 118.68 129.19 1xck s LEU 221 Ca 0.02 0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 54.51 1xck s LEU 221 Cb -0.15 -2.77 0.09 0.00 0.50 0.00 0.00 46.19 43.87 1xck s LEU 221 CO -0.10 -0.31 0.23 -0.76 -1.32 0.00 0.00 176.35 174.09 1xck s LEU 222 N 2.27 5.13 -0.26 -0.68 1.43 -1.26 -0.45 118.68 124.86 1xck s LEU 222 Ca 0.24 -1.69 0.02 0.00 -1.03 0.00 0.00 54.13 51.68 1xck s LEU 222 Cb -0.16 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.21 1xck s LEU 222 CO 0.09 -0.53 -0.09 0.00 0.23 0.00 0.00 176.35 176.05 1xck s ALA 223 N 1.31 2.43 -1.26 4.21 0.00 -0.79 0.12 121.76 127.79 1xck s ALA 223 Ca 0.04 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 1xck s ALA 223 Cb -0.23 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1xck s ALA 223 CO -0.01 -1.21 1.88 -3.47 0.00 0.00 0.00 175.76 172.95 1xck n ASP 224 N 4.48 4.15 0.00 0.00 2.03 -1.06 -3.08 116.55 123.07 1xck n ASP 224 Ca -0.13 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1xck n ASP 224 Cb 0.42 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 1xck n ASP 224 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xck n LYS 225 N 7.88 -2.13 -3.86 -0.67 2.85 -1.26 -3.98 118.16 116.99 1xck n LYS 225 Ca 0.49 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.39 1xck n LYS 225 Cb 0.45 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.75 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xck s LYS 226 N -2.00 3.79 -0.30 -1.58 1.02 -1.26 -0.08 119.74 119.32 1xck s LYS 226 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.69 1xck s LYS 226 Cb 0.00 -3.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1xck s LYS 226 CO 0.00 0.52 0.13 0.42 -0.92 0.00 0.00 175.35 175.50 1xck s ILE 227 N -0.28 4.43 -0.02 2.17 1.01 0.58 -4.93 121.20 124.16 1xck s ILE 227 Ca 0.11 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.37 1xck s ILE 227 Cb -0.12 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.97 1xck s ILE 227 CO 0.01 0.09 0.19 -1.20 0.00 0.00 0.00 174.94 174.03 1xck n SER 228 N 4.95 2.96 -3.92 3.58 7.64 -1.26 -0.37 113.62 127.19 1xck n SER 228 Ca -0.14 -0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.50 1xck n SER 228 Cb 0.49 1.39 -0.17 0.00 -1.01 0.00 0.00 64.21 64.91 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 -2.97 1.31 0.00 6.43 0.01 -1.26 -1.55 114.94 116.91 1xck s ASN 229 Ca -0.03 -0.19 0.07 0.00 -0.71 0.00 0.00 52.86 52.00 1xck s ASN 229 Cb 0.06 -0.59 0.39 0.00 0.41 0.00 0.00 41.25 41.52 1xck s ASN 229 CO 0.36 -0.04 0.86 0.00 -1.51 0.00 0.00 177.10 176.77 1xck n ILE 230 N 4.10 0.00 0.02 0.60 3.06 -1.26 -3.18 119.36 122.70 1xck n ILE 230 Ca -0.22 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 59.99 1xck n ILE 230 Cb 0.51 -0.45 0.20 0.00 0.54 0.00 0.00 39.64 40.45 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 0.00 0.47 -0.01 9.51 2.43 -1.98 -2.50 114.38 122.30 1xck h ARG 231 Ca 0.00 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 58.83 1xck h ARG 231 Cb 0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1xck h ARG 231 CO 0.00 0.69 -0.74 0.93 -1.51 0.00 0.00 179.97 179.34 1xck h GLU 232 N 0.41 0.11 0.14 0.20 5.08 -1.95 -3.32 114.58 115.25 1xck h GLU 232 Ca 0.06 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xck h GLU 232 Cb 0.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xck h GLU 232 CO 0.05 0.79 -0.07 0.52 -1.00 0.00 0.00 179.01 179.31 1xck h MET 233 N 0.07 -0.18 -0.15 2.33 2.86 -1.69 -3.33 114.93 114.83 1xck h MET 233 Ca -0.02 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1xck h MET 233 Cb 1.30 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1xck h MET 233 CO 0.10 0.13 -0.09 1.28 1.06 0.00 0.00 176.91 179.40 1xck n LEU 234 N -5.03 -0.16 -0.20 1.22 4.77 -0.97 -0.01 117.00 116.63 1xck n LEU 234 Ca -0.09 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1xck n LEU 234 Cb 0.21 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1xck n LEU 234 CO 0.32 -0.22 0.91 1.55 -1.33 0.00 0.00 177.39 178.62 1xck h PRO 235 N 0.00 0.25 -0.10 3.23 0.13 -1.82 -0.52 132.00 133.16 1xck h PRO 235 Ca 0.02 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1xck h PRO 235 Cb 0.06 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xck h PRO 235 CO -0.14 0.16 -0.70 0.28 -0.23 0.00 0.00 178.00 177.37 1xck h VAL 236 N 0.25 1.36 -0.10 1.56 2.07 -0.67 -3.05 116.25 117.67 1xck h VAL 236 Ca 0.32 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1xck h VAL 236 Cb 0.48 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1xck h VAL 236 CO -0.41 0.63 -0.26 -0.07 0.02 0.00 0.00 177.57 177.48 1xck h LEU 237 N 0.33 0.16 -0.31 2.57 3.38 -0.46 -2.26 115.31 118.71 1xck h LEU 237 Ca -0.03 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1xck h LEU 237 Cb 1.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1xck h LEU 237 CO 0.13 0.43 -0.86 -0.33 0.09 0.00 0.00 178.44 177.90 1xck h GLU 238 N 0.15 0.11 -0.09 1.13 5.08 -1.10 0.11 114.58 119.97 1xck h GLU 238 Ca 0.02 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1xck h GLU 238 Cb 0.54 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1xck h GLU 238 CO 0.04 0.90 -0.52 0.00 -1.00 0.00 0.00 179.01 178.43 1xck h ALA 239 N 1.06 0.96 0.00 3.43 0.00 -1.39 -1.95 119.26 121.36 1xck h ALA 239 Ca -0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1xck h ALA 239 Cb 1.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1xck h ALA 239 CO 0.12 0.67 -0.65 0.28 0.00 0.00 0.00 179.25 179.67 1xck h VAL 240 N 0.19 1.17 -0.19 0.00 2.07 -1.30 -3.15 116.25 115.03 1xck h VAL 240 Ca 0.01 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1xck h VAL 240 Cb 0.98 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1xck h VAL 240 CO 0.08 0.64 0.08 0.00 0.02 0.00 0.00 177.57 178.39 1xck h ALA 241 N 1.35 0.24 -2.10 1.67 0.00 -0.42 -3.23 119.26 116.79 1xck h ALA 241 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 54.91 54.38 1xck h ALA 241 Cb 1.43 -0.07 0.17 0.00 0.00 0.00 0.00 17.79 19.32 1xck h ALA 241 CO 0.08 -0.18 0.25 0.15 0.00 0.00 0.00 179.25 179.55 1xck s LYS 242 N -5.64 -0.27 0.00 0.00 1.02 -0.79 -2.94 119.74 111.13 1xck s LYS 242 Ca -0.14 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1xck s LYS 242 Cb 0.07 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1xck s LYS 242 CO 0.70 -3.07 0.00 0.00 -0.92 0.00 0.00 175.35 172.06 1xck n ALA 243 N -4.30 0.00 -3.68 5.17 0.00 -1.26 -4.21 120.51 112.23 1xck n ALA 243 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1xck n ALA 243 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.52 -0.30 3.28 0.00 0.00 -1.15 -5.03 105.19 101.47 1xck n GLY 244 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.94 1.16 1.30 1.61 1.02 -1.22 -5.10 119.74 112.57 1xck s LYS 245 Ca 0.02 -1.13 -0.21 0.00 0.02 0.00 0.00 55.97 54.68 1xck s LYS 245 Cb -0.01 -1.40 0.32 0.00 -0.52 0.00 0.00 37.83 36.22 1xck s LYS 245 CO 0.80 0.33 1.04 -1.25 -0.92 0.00 0.00 175.35 175.35 1xck s PRO 246 N -1.79 -1.95 -0.02 -1.68 0.04 -1.26 -4.77 135.00 123.56 1xck s PRO 246 Ca 0.06 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.09 1xck s PRO 246 Cb -0.10 -1.50 0.01 0.00 0.04 0.00 0.00 34.50 32.95 1xck s PRO 246 CO 0.04 -4.21 0.06 -1.17 0.04 0.00 0.00 177.00 171.76 1xck s LEU 247 N -7.32 1.55 -0.18 -3.56 2.96 0.98 -1.93 118.68 111.19 1xck s LEU 247 Ca 0.70 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1xck s LEU 247 Cb -0.11 0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.71 1xck s LEU 247 CO 0.57 -0.05 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.29 1xck s LEU 248 N 0.35 3.16 -0.33 -0.68 2.96 0.58 -0.58 118.68 124.13 1xck s LEU 248 Ca -0.03 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1xck s LEU 248 Cb -0.04 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1xck s LEU 248 CO -0.01 0.11 0.12 -0.63 -1.32 0.00 0.00 176.35 174.62 1xck s ILE 249 N 0.70 3.99 -0.42 6.68 -1.09 0.16 0.50 121.20 131.73 1xck s ILE 249 Ca -0.02 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.39 1xck s ILE 249 Cb -0.14 -3.20 0.11 0.00 -1.58 0.00 0.00 42.46 37.64 1xck s ILE 249 CO 0.02 -0.12 0.23 -0.63 -1.23 0.00 0.00 174.94 173.20 1xck s ILE 250 N 1.46 3.54 0.45 2.92 1.01 0.40 -0.78 121.20 130.20 1xck s ILE 250 Ca 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 60.65 58.77 1xck s ILE 250 Cb -0.19 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xck s ILE 250 CO 0.04 -0.66 0.11 0.00 0.00 0.00 0.00 174.94 174.42 1xck s ALA 251 N 1.22 3.36 0.50 9.38 0.00 -1.14 -1.88 121.76 133.19 1xck s ALA 251 Ca 0.07 -0.85 0.19 0.00 0.00 0.00 0.00 51.96 51.36 1xck s ALA 251 Cb -0.23 0.57 1.28 0.00 0.00 0.00 0.00 23.12 24.74 1xck s ALA 251 CO -0.03 -0.26 2.10 1.49 0.00 0.00 0.00 175.76 179.07 1xck h GLU 252 N 1.60 0.00 0.00 0.00 4.81 -0.42 0.39 114.58 120.97 1xck h GLU 252 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1xck h GLU 252 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1xck h GLU 252 CO 0.59 0.08 0.00 -3.47 -0.73 0.00 0.00 179.01 175.48 1xck n ASP 253 N -4.26 0.00 -3.86 1.04 -0.08 -1.23 -4.41 116.55 103.74 1xck n ASP 253 Ca -0.03 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.96 1xck n ASP 253 Cb 0.16 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.46 1xck n ASP 253 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xck s VAL 254 N -2.00 1.11 0.48 5.18 1.01 -1.26 -0.31 120.40 124.61 1xck s VAL 254 Ca 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1xck s VAL 254 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1xck s VAL 254 CO 0.00 -0.09 0.17 -1.61 0.00 0.00 0.00 175.10 173.57 1xck s GLU 255 N 1.60 2.20 0.00 2.72 2.02 0.50 -4.65 118.70 123.09 1xck s GLU 255 Ca -0.03 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 52.88 1xck s GLU 255 Cb -0.18 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1xck s GLU 255 CO -0.07 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1xck n GLY 256 N -1.36 0.60 0.33 -1.39 0.00 -1.26 -2.25 105.19 99.86 1xck n GLY 256 Ca -0.07 0.05 0.23 0.00 0.00 0.00 0.00 46.02 46.23 1xck n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xck h GLU 257 N 0.00 0.29 -0.15 1.61 4.22 -1.93 0.14 114.58 118.77 1xck h GLU 257 Ca 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 1xck h GLU 257 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xck h GLU 257 CO 0.00 0.19 -0.16 0.00 -2.18 0.00 0.00 179.01 176.87 1xck h ALA 258 N 1.85 0.22 -0.14 2.92 0.00 -0.84 -1.72 119.26 121.54 1xck h ALA 258 Ca 0.72 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1xck h ALA 258 Cb 1.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1xck h ALA 258 CO -0.62 0.11 -0.04 1.25 0.00 0.00 0.00 179.25 179.95 1xck h LEU 259 N -0.01 0.28 -0.38 0.00 5.85 -0.81 -1.28 115.31 118.96 1xck h LEU 259 Ca 0.02 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.44 1xck h LEU 259 Cb 0.69 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1xck h LEU 259 CO 0.04 0.59 -0.09 0.00 -0.34 0.00 0.00 178.44 178.64 1xck h ALA 260 N 0.70 0.25 -0.91 1.25 0.00 -0.83 0.23 119.26 119.95 1xck h ALA 260 Ca 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 260 Cb 0.47 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1xck h ALA 260 CO 0.02 -0.46 0.52 1.15 0.00 0.00 0.00 179.25 180.48 1xck h THR 261 N -0.00 1.26 -0.34 0.00 2.02 -1.22 -2.24 112.91 112.39 1xck h THR 261 Ca 0.18 -0.61 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 1xck h THR 261 Cb 0.28 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1xck h THR 261 CO -0.39 0.28 -0.35 -0.07 0.37 0.00 0.00 175.52 175.36 1xck h LEU 262 N 1.27 0.81 -0.87 2.58 3.38 -0.12 -1.85 115.31 120.51 1xck h LEU 262 Ca 0.32 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xck h LEU 262 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1xck h LEU 262 CO -0.06 1.08 0.35 0.58 0.09 0.00 0.00 178.44 180.49 1xck h VAL 263 N 0.64 1.26 0.00 1.22 2.07 -0.27 -2.95 116.25 118.22 1xck h VAL 263 Ca 0.06 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xck h VAL 263 Cb 0.90 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xck h VAL 263 CO 0.08 0.32 0.00 0.52 0.02 0.00 0.00 177.57 178.51 1xck n VAL 264 N -4.29 0.00 -0.34 2.57 0.31 -0.87 -3.16 118.33 112.54 1xck n VAL 264 Ca 0.08 1.00 0.02 0.00 -0.01 0.00 0.00 64.34 65.42 1xck n VAL 264 Cb 0.16 -1.99 0.09 0.00 -0.91 0.00 0.00 33.84 31.19 1xck n VAL 264 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1xck h ASN 265 N 0.00 -1.10 0.40 4.52 -0.26 -1.43 1.03 115.58 118.74 1xck h ASN 265 Ca 0.00 0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 56.02 1xck h ASN 265 Cb 0.00 0.65 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1xck h ASN 265 CO 0.00 -0.30 -0.03 0.71 -1.06 0.00 0.00 177.43 176.75 1xck h THR 266 N -0.01 0.16 -0.29 2.81 1.35 -1.59 0.40 112.91 115.74 1xck h THR 266 Ca 0.40 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1xck h THR 266 Cb 0.65 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1xck h THR 266 CO -0.96 0.03 0.00 0.80 -0.25 0.00 0.00 175.52 175.14 1xck n MET 267 N -3.26 2.12 -0.37 4.72 0.00 0.35 -3.25 117.12 117.43 1xck n MET 267 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 57.70 56.45 1xck n MET 267 Cb 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.93 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 0.37 0.06 -0.87 2.12 1.74 0.07 -4.99 116.66 115.17 1xck n ARG 268 Ca 0.11 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.25 1xck n ARG 268 Cb 0.42 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.04 0.11 2.72 -0.13 0.00 -1.13 -4.85 105.19 101.86 1xck n GLY 269 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.12 4.14 -0.44 -0.61 5.41 -0.85 -4.74 119.36 120.15 1xck n ILE 270 Ca 0.00 -3.74 0.00 0.00 1.00 0.00 0.00 62.75 60.01 1xck n ILE 270 Cb 0.28 -2.44 0.00 0.00 -0.71 0.00 0.00 39.64 36.78 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 3.78 -2.10 -2.78 1.39 0.31 -1.26 -4.31 118.33 113.36 1xck n VAL 271 Ca 0.50 0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 64.51 1xck n VAL 271 Cb 0.35 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 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 -3.15 4.14 0.03 5.55 3.01 -1.26 -3.69 119.74 124.37 1xck s LYS 272 Ca 0.00 1.03 0.02 0.00 -1.01 0.00 0.00 55.97 56.00 1xck s LYS 272 Cb 0.00 -3.68 -0.02 0.00 -1.01 0.00 0.00 37.83 33.12 1xck s LYS 272 CO 0.00 -0.66 -0.07 0.08 0.51 0.00 0.00 175.35 175.21 1xck s VAL 273 N 3.14 0.45 -0.04 3.17 1.01 -1.26 -0.01 120.40 126.86 1xck s VAL 273 Ca 0.39 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xck s VAL 273 Cb -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1xck s VAL 273 CO 0.10 -0.29 0.08 0.00 0.00 0.00 0.00 175.10 174.98 1xck s ALA 274 N -1.12 -0.14 -0.02 5.51 0.00 0.25 -4.91 121.76 121.32 1xck s ALA 274 Ca -0.08 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1xck s ALA 274 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1xck s ALA 274 CO 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 175.76 175.45 1xck s ALA 275 N 0.57 1.91 -0.00 0.00 0.00 -1.26 0.40 121.76 123.37 1xck s ALA 275 Ca -0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 1xck s ALA 275 Cb -0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1xck s ALA 275 CO -0.02 0.47 0.11 0.14 0.00 0.00 0.00 175.76 176.45 1xck s VAL 276 N -0.53 0.07 0.75 0.00 -7.23 0.04 -0.99 120.40 112.51 1xck s VAL 276 Ca 0.09 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 1xck s VAL 276 Cb -0.09 -0.37 0.05 0.00 0.56 0.00 0.00 36.38 36.53 1xck s VAL 276 CO -0.01 -0.34 1.16 -0.54 -0.31 0.00 0.00 175.10 175.07 1xck s LYS 277 N -1.16 2.11 0.71 4.82 1.02 -1.26 -2.87 119.74 123.11 1xck s LYS 277 Ca -0.13 1.58 -0.11 0.00 0.02 0.00 0.00 55.97 57.34 1xck s LYS 277 Cb -0.07 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1xck s LYS 277 CO 0.01 -1.82 1.07 0.00 -0.92 0.00 0.00 175.35 173.69 1xck s ALA 278 N -2.28 2.58 0.35 5.17 0.00 0.14 -4.73 121.76 122.99 1xck s ALA 278 Ca 0.70 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.51 1xck s ALA 278 Cb -0.25 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1xck s ALA 278 CO 0.48 -1.35 1.03 -1.25 0.00 0.00 0.00 175.76 174.67 1xck s PRO 279 N -5.02 4.38 1.84 0.00 0.04 -1.26 -4.89 135.00 130.09 1xck s PRO 279 Ca 0.59 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1xck s PRO 279 Cb -0.15 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1xck s PRO 279 CO 0.55 0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.05 1xck n GLY 280 N 0.58 -1.07 2.84 0.56 0.00 -1.26 -4.41 105.19 102.43 1xck n GLY 280 Ca 0.03 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1xck n GLY 280 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xck n PHE 281 N -0.88 -1.04 -3.79 1.61 -1.74 -1.26 -4.79 117.46 105.57 1xck n PHE 281 Ca 0.00 -2.19 0.00 0.00 -0.56 0.00 0.00 57.45 54.70 1xck n PHE 281 Cb 0.00 0.38 0.00 0.00 1.52 0.00 0.00 39.48 41.38 1xck n PHE 281 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xck n GLY 282 N -0.52 1.96 0.13 4.97 0.00 -1.26 -2.10 105.19 108.37 1xck n GLY 282 Ca 0.03 -0.44 -0.13 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 7.27 -0.19 0.00 1.61 3.32 -2.01 -2.94 116.42 123.49 1xck h ASP 283 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1xck h ASP 283 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xck h ASP 283 CO 0.00 0.18 0.25 0.08 -1.72 0.00 0.00 179.24 178.02 1xck h ARG 284 N -0.58 0.00 -0.07 3.56 0.11 -1.97 0.33 114.38 115.76 1xck h ARG 284 Ca -0.02 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 1xck h ARG 284 Cb 0.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1xck h ARG 284 CO 0.04 0.00 -0.54 -0.09 0.10 0.00 0.00 179.97 179.48 1xck h ARG 285 N 0.00 0.19 0.01 0.08 2.43 -1.23 -1.86 114.38 114.00 1xck h ARG 285 Ca 0.00 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.85 1xck h ARG 285 Cb 0.49 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1xck h ARG 285 CO 0.00 0.68 -0.93 0.87 -1.51 0.00 0.00 179.97 179.09 1xck h LYS 286 N 0.15 0.10 -0.39 0.20 1.57 -0.42 -2.51 116.57 115.27 1xck h LYS 286 Ca 0.00 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1xck h LYS 286 Cb 1.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xck h LYS 286 CO 0.08 0.95 -0.26 0.00 -0.57 0.00 0.00 179.45 179.65 1xck h ALA 287 N 1.00 0.81 -0.06 3.86 0.00 -1.21 -2.78 119.26 120.89 1xck h ALA 287 Ca -0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1xck h ALA 287 Cb 1.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1xck h ALA 287 CO 0.13 0.64 -0.65 0.52 0.00 0.00 0.00 179.25 179.90 1xck h MET 288 N 0.69 0.25 -0.54 0.00 2.86 -1.31 -1.30 114.93 115.56 1xck h MET 288 Ca 0.09 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 288 Cb 0.79 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1xck h MET 288 CO 0.07 0.81 0.21 -0.07 1.06 0.00 0.00 176.91 178.99 1xck h LEU 289 N 0.18 0.72 -0.23 1.22 3.38 -1.33 -0.47 115.31 118.78 1xck h LEU 289 Ca -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1xck h LEU 289 Cb 1.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1xck h LEU 289 CO 0.10 0.65 -0.07 -0.61 0.09 0.00 0.00 178.44 178.60 1xck h GLN 290 N 0.78 0.45 -0.28 1.13 5.75 -1.20 -1.14 115.11 120.59 1xck h GLN 290 Ca 0.19 -0.18 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1xck h GLN 290 Cb 0.16 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.62 1xck h GLN 290 CO -0.02 0.69 -0.21 -0.44 -2.65 0.00 0.00 178.83 176.21 1xck h ASP 291 N 0.18 -0.68 -0.78 -0.69 3.32 -0.51 0.67 116.42 117.93 1xck h ASP 291 Ca 0.06 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.32 1xck h ASP 291 Cb 0.53 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 1xck h ASP 291 CO 0.02 -0.24 0.45 0.40 -1.72 0.00 0.00 179.24 178.15 1xck h ILE 292 N -0.19 0.96 0.16 0.35 2.04 -1.00 -1.23 117.51 118.60 1xck h ILE 292 Ca 0.15 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1xck h ILE 292 Cb 0.42 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xck h ILE 292 CO -0.40 0.15 -0.32 0.00 0.00 0.00 0.00 178.15 177.58 1xck h ALA 293 N 1.40 -0.89 -0.56 1.87 0.00 0.30 0.16 119.26 121.54 1xck h ALA 293 Ca 0.36 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1xck h ALA 293 Cb 0.25 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 293 CO -0.21 -0.95 -0.26 1.15 0.00 0.00 0.00 179.25 178.99 1xck h THR 294 N -0.53 0.27 -0.91 0.00 2.02 -0.64 0.61 112.91 113.73 1xck h THR 294 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1xck h THR 294 Cb 0.50 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 1xck h THR 294 CO -0.13 0.00 0.56 0.25 0.37 0.00 0.00 175.52 176.57 1xck h LEU 295 N -0.12 0.84 -2.90 2.58 7.12 -0.89 -2.32 115.31 119.62 1xck h LEU 295 Ca 0.25 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1xck h LEU 295 Cb 0.51 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1xck h LEU 295 CO -0.63 0.50 0.00 0.35 -0.13 0.00 0.00 178.44 178.52 1xck n THR 296 N -4.64 1.30 -2.78 1.05 -2.24 0.52 -1.68 114.28 105.82 1xck n THR 296 Ca 0.15 -1.07 -0.20 0.00 -2.27 0.00 0.00 64.05 60.65 1xck n THR 296 Cb 0.25 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.45 -0.51 2.27 3.38 0.00 0.20 -0.18 105.19 111.80 1xck n GLY 297 Ca 0.25 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1xck n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 298 N -1.18 2.33 2.97 -0.02 0.00 -0.08 -4.57 105.19 104.65 1xck n GLY 298 Ca -0.14 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.43 1xck n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xck s THR 299 N -1.31 0.99 0.08 2.61 2.01 0.17 -4.48 115.64 115.71 1xck s THR 299 Ca 0.28 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1xck s THR 299 Cb -0.02 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 1xck s THR 299 CO 0.18 0.33 1.17 -0.69 -0.69 0.00 0.00 174.62 174.92 1xck s VAL 300 N 0.91 4.04 -0.92 3.82 1.01 -1.26 -4.51 120.40 123.49 1xck s VAL 300 Ca -0.10 1.51 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1xck s VAL 300 Cb -0.15 -3.97 0.24 0.00 0.00 0.00 0.00 36.38 32.50 1xck s VAL 300 CO 0.01 0.14 0.87 -0.63 0.00 0.00 0.00 175.10 175.49 1xck s ILE 301 N 0.82 5.61 -0.13 2.22 1.01 0.12 -4.96 121.20 125.89 1xck s ILE 301 Ca 0.57 -2.87 -0.11 0.00 0.00 0.00 0.00 60.65 58.23 1xck s ILE 301 Cb -0.29 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 1xck s ILE 301 CO 0.30 -1.08 0.24 -0.94 0.00 0.00 0.00 174.94 173.47 1xck s SER 302 N 1.72 6.45 0.25 3.58 1.04 -1.26 -2.58 113.70 122.89 1xck s SER 302 Ca 0.23 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1xck s SER 302 Cb -0.10 -2.15 0.28 0.00 0.10 0.00 0.00 66.02 64.15 1xck s SER 302 CO -0.09 0.24 1.79 -0.33 0.98 0.00 0.00 173.24 175.84 1xck h GLU 303 N 5.84 1.00 -0.70 4.02 5.08 -1.75 -2.65 114.58 125.41 1xck h GLU 303 Ca -0.47 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 57.75 1xck h GLU 303 Cb 1.19 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1xck h GLU 303 CO 0.68 0.86 -0.49 0.93 -1.00 0.00 0.00 179.01 179.99 1xck h GLU 304 N 0.96 -0.09 0.00 2.33 5.08 -1.91 1.91 114.58 122.86 1xck h GLU 304 Ca 0.21 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xck h GLU 304 Cb 0.29 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xck h GLU 304 CO -0.01 -0.06 0.00 -0.89 -1.00 0.00 0.00 179.01 177.05 1xck n ILE 305 N -4.91 1.26 -0.77 3.13 5.41 -1.18 -4.81 119.36 117.50 1xck n ILE 305 Ca 0.00 0.32 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1xck n ILE 305 Cb 0.24 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 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 -1.03 0.70 3.85 7.39 0.00 0.65 -5.07 105.19 111.68 1xck n GLY 306 Ca 0.01 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.63 3.98 -0.00 1.61 -1.94 -1.01 -4.99 119.30 115.32 1xck s MET 307 Ca 0.00 0.69 0.08 0.00 -1.71 0.00 0.00 55.69 54.75 1xck s MET 307 Cb 0.00 -2.38 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 1xck s MET 307 CO 0.00 0.07 -0.25 -1.21 -0.01 0.00 0.00 175.02 173.62 1xck s GLU 308 N -3.24 1.97 0.51 2.03 2.02 -1.26 -4.30 118.70 116.43 1xck s GLU 308 Ca 0.55 -0.96 0.28 0.00 0.02 0.00 0.00 54.97 54.86 1xck s GLU 308 Cb -0.10 -1.97 1.37 0.00 0.10 0.00 0.00 34.13 33.53 1xck s GLU 308 CO 0.20 0.53 2.02 -0.07 0.02 0.00 0.00 175.26 177.96 1xck h LEU 309 N 5.31 0.00 -0.71 1.80 3.38 -1.93 -2.53 115.31 120.63 1xck h LEU 309 Ca -0.43 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1xck h LEU 309 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xck h LEU 309 CO 0.46 0.13 -0.49 -0.33 0.09 0.00 0.00 178.44 178.30 1xck h GLU 310 N 0.00 0.40 -0.04 1.13 3.07 -1.94 -2.73 114.58 114.45 1xck h GLU 310 Ca -0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1xck h GLU 310 Cb 0.44 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xck h GLU 310 CO 0.02 0.80 0.00 1.63 -1.40 0.00 0.00 179.01 180.05 1xck n LYS 311 N -3.97 1.32 -2.38 2.33 4.76 -0.96 -4.78 118.16 114.47 1xck n LYS 311 Ca -0.02 -0.48 -0.41 0.00 -2.87 0.00 0.00 58.31 54.53 1xck n LYS 311 Cb 0.55 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xck s ALA 312 N -1.95 3.43 0.28 7.82 0.00 -1.03 -5.01 121.76 125.30 1xck s ALA 312 Ca 0.36 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.35 1xck s ALA 312 Cb 0.18 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1xck s ALA 312 CO 0.29 -0.38 -0.09 0.95 0.00 0.00 0.00 175.76 176.53 1xck s THR 313 N 0.16 2.96 0.62 0.00 -4.23 -1.26 -4.53 115.64 109.36 1xck s THR 313 Ca 0.54 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1xck s THR 313 Cb -0.32 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.24 1xck s THR 313 CO 0.35 -0.37 1.69 -0.07 -0.54 0.00 0.00 174.62 175.68 1xck h LEU 314 N 2.04 0.00 -0.38 4.79 3.38 -1.94 0.25 115.31 123.45 1xck h LEU 314 Ca -0.42 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1xck h LEU 314 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1xck h LEU 314 CO 0.61 0.00 -0.53 -0.08 0.09 0.00 0.00 178.44 178.53 1xck h GLU 315 N 0.00 0.00 0.00 1.13 4.81 -2.00 -2.94 114.58 115.58 1xck h GLU 315 Ca 0.21 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1xck h GLU 315 Cb 1.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1xck h GLU 315 CO -0.00 0.53 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.15 1xck h ASP 316 N 0.00 0.00 -3.79 1.04 3.32 -0.85 -3.44 116.42 112.70 1xck h ASP 316 Ca -0.01 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1xck h ASP 316 Cb 1.25 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.86 1xck h ASP 316 CO 0.07 0.22 0.65 -0.76 -1.72 0.00 0.00 179.24 177.70 1xck s LEU 317 N -6.87 4.42 0.00 1.55 1.02 -1.11 0.44 118.68 118.13 1xck s LEU 317 Ca 0.00 2.66 -0.11 0.00 0.02 0.00 0.00 54.13 56.71 1xck s LEU 317 Cb 0.11 -3.64 0.18 0.00 0.02 0.00 0.00 46.19 42.85 1xck s LEU 317 CO 0.63 -0.55 1.08 0.61 0.02 0.00 0.00 176.35 178.14 1xck n GLY 318 N 1.06 -0.88 3.63 -3.19 0.00 0.23 -4.44 105.19 101.60 1xck n GLY 318 Ca 0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1xck n GLY 318 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xck s GLN 319 N -5.32 0.66 0.00 1.61 0.74 0.75 -1.00 119.66 117.11 1xck s GLN 319 Ca 0.63 0.78 -0.17 0.00 0.05 0.00 0.00 55.36 56.66 1xck s GLN 319 Cb -0.02 0.32 0.03 0.00 1.10 0.00 0.00 33.01 34.44 1xck s GLN 319 CO 0.44 -0.08 0.37 0.00 -0.55 0.00 0.00 175.29 175.47 1xck s ALA 320 N 0.30 -0.92 0.54 1.58 0.00 -1.22 -1.03 121.76 121.00 1xck s ALA 320 Ca 0.02 0.37 0.21 0.00 0.00 0.00 0.00 51.96 52.56 1xck s ALA 320 Cb -0.05 0.17 1.39 0.00 0.00 0.00 0.00 23.12 24.63 1xck s ALA 320 CO -0.03 -0.34 2.11 0.87 0.00 0.00 0.00 175.76 178.37 1xck h LYS 321 N 3.47 0.00 -2.05 0.00 1.57 -0.89 -3.18 116.57 115.50 1xck h LYS 321 Ca -0.30 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1xck h LYS 321 Cb 1.18 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1xck h LYS 321 CO 0.42 0.00 0.44 0.50 -0.57 0.00 0.00 179.45 180.24 1xck s ARG 322 N -4.98 0.82 -0.02 3.15 3.52 -0.86 -0.40 118.95 120.18 1xck s ARG 322 Ca -0.05 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 1xck s ARG 322 Cb 0.17 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 1xck s ARG 322 CO 0.67 -0.31 0.11 0.14 -0.81 0.00 0.00 175.30 175.09 1xck s VAL 323 N -2.18 0.04 -0.05 7.11 -7.23 -0.59 0.02 120.40 117.53 1xck s VAL 323 Ca -0.00 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1xck s VAL 323 Cb -0.01 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.67 1xck s VAL 323 CO -0.03 -0.20 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.81 1xck s VAL 324 N -0.65 0.67 -0.14 1.32 1.01 -0.80 -1.95 120.40 119.86 1xck s VAL 324 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1xck s VAL 324 Cb -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1xck s VAL 324 CO 0.01 0.25 -0.16 -0.63 0.00 0.00 0.00 175.10 174.56 1xck s ILE 325 N 0.76 1.67 0.00 2.22 1.01 0.22 -1.12 121.20 125.96 1xck s ILE 325 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1xck s ILE 325 Cb -0.14 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1xck s ILE 325 CO 0.01 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.02 1xck n ASN 326 N 4.56 0.00 0.13 3.58 3.02 0.39 -1.15 115.26 125.79 1xck n ASN 326 Ca -0.18 -0.69 -0.01 0.00 -0.03 0.00 0.00 54.58 53.67 1xck n ASN 326 Cb 0.50 0.00 0.15 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 -1.93 -2.07 116.57 119.72 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 -0.22 0.00 -0.41 0.00 0.00 32.23 31.60 1xck h LYS 327 CO 0.00 0.64 -0.71 -0.40 -2.27 0.00 0.00 179.45 176.71 1xck n ASP 328 N -3.73 0.36 -3.78 4.20 5.68 -1.26 -3.98 116.55 114.05 1xck n ASP 328 Ca -0.01 -1.93 -0.13 0.00 -0.50 0.00 0.00 54.79 52.23 1xck n ASP 328 Cb 0.65 -0.16 -0.12 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.01 -0.09 2.12 2.01 -1.06 -3.18 115.64 115.43 1xck s THR 329 Ca 0.18 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1xck s THR 329 Cb 0.20 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.40 1xck s THR 329 CO -0.09 0.01 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.89 1xck s THR 330 N 0.32 0.92 -0.13 -0.82 2.01 -0.27 0.15 115.64 117.82 1xck s THR 330 Ca -0.02 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1xck s THR 330 Cb -0.03 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1xck s THR 330 CO -0.01 0.33 -0.12 0.28 -0.69 0.00 0.00 174.62 174.41 1xck s THR 331 N 1.37 1.37 -0.21 -0.82 -1.32 -0.28 -1.36 115.64 114.39 1xck s THR 331 Ca -0.02 -0.51 -0.19 0.00 -1.21 0.00 0.00 61.69 59.76 1xck s THR 331 Cb -0.14 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 1xck s THR 331 CO -0.04 0.42 0.56 -0.63 -2.21 0.00 0.00 174.62 172.73 1xck s ILE 332 N 1.51 5.07 -0.26 5.08 1.01 0.66 -1.90 121.20 132.36 1xck s ILE 332 Ca 0.04 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 1xck s ILE 332 Cb -0.13 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1xck s ILE 332 CO -0.09 0.14 0.03 -0.63 0.00 0.00 0.00 174.94 174.39 1xck s ILE 333 N 1.86 3.72 -0.28 2.92 1.01 0.10 -1.48 121.20 129.05 1xck s ILE 333 Ca 0.25 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1xck s ILE 333 Cb -0.16 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1xck s ILE 333 CO 0.10 0.21 0.19 -0.67 0.00 0.00 0.00 174.94 174.77 1xck n ASP 334 N 4.83 -6.69 -4.88 3.58 2.03 0.16 -2.03 116.55 113.56 1xck n ASP 334 Ca -0.16 0.84 -0.30 0.00 0.52 0.00 0.00 54.79 55.69 1xck n ASP 334 Cb 0.49 -4.41 0.01 0.00 -0.72 0.00 0.00 41.12 36.49 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 -1.67 1.63 0.26 0.27 0.00 -0.95 -1.26 107.32 105.60 1xck s GLY 335 Ca 0.08 -0.20 0.22 0.00 0.00 0.00 0.00 44.72 44.82 1xck s GLY 335 CO 0.61 0.06 1.18 -2.08 0.00 0.00 0.00 173.10 172.88 1xck h VAL 336 N -0.28 0.02 -1.32 1.40 2.07 -1.05 -3.47 116.25 113.63 1xck h VAL 336 Ca -0.45 -1.03 -0.65 0.00 0.82 0.00 0.00 66.70 65.39 1xck h VAL 336 Cb 1.20 1.64 0.13 0.00 -1.52 0.00 0.00 31.29 32.74 1xck h VAL 336 CO 0.62 0.01 -0.62 0.61 0.02 0.00 0.00 177.57 178.21 1xck n GLY 337 N 1.17 -1.97 3.75 2.17 0.00 -0.68 -4.77 105.19 104.86 1xck n GLY 337 Ca 0.01 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.05 4.56 0.39 1.61 0.41 -1.26 -4.86 118.70 118.50 1xck s GLU 338 Ca 0.62 1.84 0.16 0.00 -0.41 0.00 0.00 54.97 57.18 1xck s GLU 338 Cb -0.82 -3.22 1.03 0.00 -1.78 0.00 0.00 34.13 29.34 1xck s GLU 338 CO 0.58 0.05 1.81 0.93 -0.49 0.00 0.00 175.26 178.13 1xck h GLU 339 N 4.61 0.45 -0.04 1.61 5.08 -1.97 0.29 114.58 124.61 1xck h GLU 339 Ca -0.45 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1xck h GLU 339 Cb 1.21 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1xck h GLU 339 CO 0.71 0.30 -0.29 0.00 -1.00 0.00 0.00 179.01 178.73 1xck h ALA 340 N 1.62 -0.38 0.74 3.43 0.00 -1.98 0.45 119.26 123.14 1xck h ALA 340 Ca 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 1xck h ALA 340 Cb 1.26 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.58 1xck h ALA 340 CO -0.26 -0.79 -0.36 0.00 0.00 0.00 0.00 179.25 177.85 1xck h ALA 341 N 0.39 -1.25 -0.92 0.00 0.00 -0.89 -1.20 119.26 115.39 1xck h ALA 341 Ca 0.07 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 341 Cb 0.52 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 341 CO -0.27 -1.18 0.52 0.82 0.00 0.00 0.00 179.25 179.13 1xck h ILE 342 N -1.01 0.73 0.00 0.00 2.04 -1.05 0.52 117.51 118.74 1xck h ILE 342 Ca -0.10 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 1xck h ILE 342 Cb 0.76 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1xck h ILE 342 CO 0.17 0.13 -0.51 -0.61 0.00 0.00 0.00 178.15 177.32 1xck h GLN 343 N 0.70 0.00 0.02 2.37 5.75 -0.03 -1.81 115.11 122.11 1xck h GLN 343 Ca 0.51 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.80 1xck h GLN 343 Cb 0.75 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1xck h GLN 343 CO -0.37 0.51 -0.95 0.78 -2.65 0.00 0.00 178.83 176.15 1xck h GLY 344 N 1.74 0.17 0.80 2.39 0.00 0.20 -1.81 103.07 106.56 1xck h GLY 344 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xck h GLY 344 CO 0.07 0.30 -0.02 -0.09 0.00 0.00 0.00 176.54 176.80 1xck h ARG 345 N 0.07 -0.04 -0.58 4.80 9.65 -0.77 -0.48 114.38 127.02 1xck h ARG 345 Ca -0.05 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.90 1xck h ARG 345 Cb 1.62 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 30.15 1xck h ARG 345 CO 0.14 0.17 0.27 0.28 2.80 0.00 0.00 179.97 183.63 1xck h VAL 346 N -0.24 0.88 -0.57 0.20 2.07 -1.34 -1.43 116.25 115.82 1xck h VAL 346 Ca -0.00 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1xck h VAL 346 Cb 0.23 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1xck h VAL 346 CO 0.01 0.09 0.20 0.00 0.02 0.00 0.00 177.57 177.89 1xck h ALA 347 N 1.35 0.72 0.48 1.67 0.00 -0.95 0.14 119.26 122.68 1xck h ALA 347 Ca 0.27 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1xck h ALA 347 Cb 0.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xck h ALA 347 CO -0.22 -0.21 -0.28 1.96 0.00 0.00 0.00 179.25 180.50 1xck h GLN 348 N 0.38 -0.68 -0.75 0.00 4.20 -0.05 -2.05 115.11 116.15 1xck h GLN 348 Ca 0.29 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.21 1xck h GLN 348 Cb 0.34 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.16 1xck h GLN 348 CO -0.30 -0.45 0.17 0.82 -0.67 0.00 0.00 178.83 178.40 1xck h ILE 349 N -0.71 0.47 -0.32 2.54 2.04 -1.28 0.22 117.51 120.48 1xck h ILE 349 Ca -0.07 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1xck h ILE 349 Cb 0.56 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1xck h ILE 349 CO 0.08 0.05 0.22 -0.09 0.00 0.00 0.00 178.15 178.41 1xck h ARG 350 N 0.25 0.12 0.02 2.37 2.43 -0.57 -1.14 114.38 117.85 1xck h ARG 350 Ca 0.43 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.33 1xck h ARG 350 Cb 0.76 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1xck h ARG 350 CO -0.54 0.08 -1.40 0.37 -1.51 0.00 0.00 179.97 176.97 1xck h GLN 351 N 0.13 0.03 0.00 0.20 4.15 0.12 -3.23 115.11 116.50 1xck h GLN 351 Ca 0.15 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1xck h GLN 351 Cb 0.43 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1xck h GLN 351 CO -0.02 0.78 -0.19 1.96 -1.93 0.00 0.00 178.83 179.44 1xck h GLN 352 N 0.01 0.00 0.00 1.69 4.20 -0.00 -0.59 115.11 120.41 1xck h GLN 352 Ca -0.17 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1xck h GLN 352 Cb 1.91 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.69 1xck h GLN 352 CO 0.11 0.19 -0.03 0.82 -0.67 0.00 0.00 178.83 179.25 1xck h ILE 353 N 0.00 0.25 0.09 2.54 2.04 -1.34 -0.68 117.51 120.41 1xck h ILE 353 Ca -0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xck h ILE 353 Cb 0.36 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1xck h ILE 353 CO 0.02 0.03 -0.04 -0.33 0.00 0.00 0.00 178.15 177.83 1xck h GLU 354 N 0.00 -0.12 0.00 2.37 4.39 -1.24 -3.21 114.58 116.76 1xck h GLU 354 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xck h GLU 354 Cb 0.16 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1xck h GLU 354 CO 0.00 0.24 0.00 0.39 -1.16 0.00 0.00 179.01 178.48 1xck n GLU 355 N -4.82 0.01 -1.65 2.33 1.02 -0.97 -4.75 120.64 111.81 1xck n GLU 355 Ca -0.05 0.39 -0.51 0.00 -0.02 0.00 0.00 57.16 56.97 1xck n GLU 355 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck n ALA 356 N -1.43 0.66 -1.07 0.62 0.00 -0.30 -4.83 120.51 114.16 1xck n ALA 356 Ca 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1xck n ALA 356 Cb 0.03 -2.45 0.30 0.00 0.00 0.00 0.00 19.45 17.33 1xck n ALA 356 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 357 N 5.46 2.80 -3.64 0.00 -2.24 -1.26 -4.92 114.28 110.47 1xck n THR 357 Ca 0.27 -1.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.15 1xck n THR 357 Cb 0.24 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.30 -0.72 0.10 3.42 0.15 -1.26 -5.03 113.70 109.05 1xck s SER 358 Ca 0.52 1.38 -0.21 0.00 0.70 0.00 0.00 55.95 58.34 1xck s SER 358 Cb 0.42 1.38 -0.11 0.00 -1.71 0.00 0.00 66.02 66.01 1xck s SER 358 CO 0.12 -0.24 1.72 0.44 1.20 0.00 0.00 173.24 176.48 1xck h ASP 359 N 5.21 0.14 0.08 5.45 3.32 -1.99 0.45 116.42 129.08 1xck h ASP 359 Ca -0.29 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1xck h ASP 359 Cb 1.17 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1xck h ASP 359 CO 0.08 0.15 -0.31 0.22 -1.72 0.00 0.00 179.24 177.66 1xck h TYR 360 N 0.12 -0.86 -0.79 4.55 3.20 -1.99 0.40 116.97 121.59 1xck h TYR 360 Ca 0.04 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1xck h TYR 360 Cb 0.04 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1xck h TYR 360 CO -0.05 -0.42 0.52 -0.44 -1.64 0.00 0.00 178.16 176.13 1xck h ASP 361 N -0.51 0.69 -0.16 -2.11 5.19 -1.92 -1.50 116.42 116.09 1xck h ASP 361 Ca 0.04 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1xck h ASP 361 Cb 0.56 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1xck h ASP 361 CO -0.21 0.42 -0.04 -0.09 -3.12 0.00 0.00 179.24 176.20 1xck h ARG 362 N 0.77 0.31 -0.03 3.56 2.43 -0.13 -2.78 114.38 118.51 1xck h ARG 362 Ca 0.36 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1xck h ARG 362 Cb 0.38 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1xck h ARG 362 CO -0.13 0.58 -0.05 0.93 -1.51 0.00 0.00 179.97 179.79 1xck h GLU 363 N 0.01 -0.08 -0.93 0.20 5.08 -0.24 -1.29 114.58 117.33 1xck h GLU 363 Ca 0.04 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1xck h GLU 363 Cb 0.47 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 1xck h GLU 363 CO 0.02 -0.05 0.59 0.87 -1.00 0.00 0.00 179.01 179.43 1xck h LYS 364 N -0.08 0.75 -0.19 2.33 1.79 -1.32 0.20 116.57 120.05 1xck h LYS 364 Ca 0.03 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1xck h LYS 364 Cb 0.13 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1xck h LYS 364 CO -0.08 0.49 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.56 1xck h LEU 365 N 0.77 0.46 -1.26 2.94 3.38 -1.16 -2.67 115.31 117.77 1xck h LEU 365 Ca 0.47 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1xck h LEU 365 Cb 0.68 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1xck h LEU 365 CO -0.23 0.82 0.54 1.56 0.09 0.00 0.00 178.44 181.22 1xck h GLN 366 N 0.10 0.87 -0.27 1.13 4.20 -0.23 -1.51 115.11 119.39 1xck h GLN 366 Ca 0.03 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1xck h GLN 366 Cb 0.68 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1xck h GLN 366 CO 0.04 0.57 0.02 0.93 -0.67 0.00 0.00 178.83 179.72 1xck h GLU 367 N 0.89 0.10 -0.44 1.46 5.08 -0.76 -0.96 114.58 119.97 1xck h GLU 367 Ca 0.35 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1xck h GLU 367 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xck h GLU 367 CO -0.13 0.07 -0.01 0.00 -1.00 0.00 0.00 179.01 177.94 1xck h ARG 368 N 0.11 0.78 -0.79 2.33 3.08 -0.98 -2.07 114.38 116.84 1xck h ARG 368 Ca 0.13 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1xck h ARG 368 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1xck h ARG 368 CO -0.20 0.85 0.31 -0.39 -1.07 0.00 0.00 179.97 179.46 1xck h VAL 369 N 0.62 1.26 -0.90 2.04 -1.51 -1.17 -1.87 116.25 114.72 1xck h VAL 369 Ca 0.12 -0.84 0.09 0.00 -1.23 0.00 0.00 66.70 64.85 1xck h VAL 369 Cb 0.51 0.33 -0.07 0.00 -2.13 0.00 0.00 31.29 29.92 1xck h VAL 369 CO 0.02 0.34 0.54 0.00 -1.23 0.00 0.00 177.57 177.25 1xck h ALA 370 N 1.17 1.29 -0.10 5.19 0.00 -0.95 0.41 119.26 126.26 1xck h ALA 370 Ca 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 370 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 370 CO -0.02 0.20 -0.07 0.87 0.00 0.00 0.00 179.25 180.23 1xck h LYS 371 N 0.91 0.23 0.24 0.00 1.57 -0.66 0.96 116.57 119.83 1xck h LYS 371 Ca 0.42 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1xck h LYS 371 Cb 0.35 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xck h LYS 371 CO -0.23 0.60 -0.12 1.25 -0.57 0.00 0.00 179.45 180.39 1xck h LEU 372 N -0.14 -0.27 -0.75 2.94 5.85 -0.96 -3.25 115.31 118.72 1xck h LEU 372 Ca 0.02 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1xck h LEU 372 Cb 0.54 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1xck h LEU 372 CO 0.02 0.08 -0.56 0.00 -0.34 0.00 0.00 178.44 177.64 1xck h ALA 373 N -0.02 0.94 -0.37 1.25 0.00 -0.31 -3.32 119.26 117.43 1xck h ALA 373 Ca -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1xck h ALA 373 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1xck h ALA 373 CO 0.05 0.70 0.08 0.78 0.00 0.00 0.00 179.25 180.86 1xck h GLY 374 N 1.47 0.65 0.00 0.00 0.00 -0.88 -3.49 103.07 100.81 1xck h GLY 374 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xck h GLY 374 CO 0.08 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1xck n GLY 375 N -0.55 -0.90 3.16 4.60 0.00 -1.23 -4.94 105.19 105.33 1xck n GLY 375 Ca -0.01 -1.44 -0.11 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 -0.28 0.11 1.61 1.01 0.06 -4.52 120.40 118.39 1xck s VAL 376 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1xck s VAL 376 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1xck s VAL 376 CO 0.00 0.07 0.84 0.00 0.00 0.00 0.00 175.10 176.01 1xck s ALA 377 N 1.92 3.34 -0.19 5.51 0.00 -0.47 0.32 121.76 132.19 1xck s ALA 377 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1xck s ALA 377 Cb -0.11 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1xck s ALA 377 CO -0.11 0.10 -0.07 0.08 0.00 0.00 0.00 175.76 175.76 1xck s VAL 378 N -0.36 1.38 -0.26 0.00 1.01 0.93 -0.61 120.40 122.50 1xck s VAL 378 Ca 0.41 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1xck s VAL 378 Cb -0.22 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1xck s VAL 378 CO 0.26 0.09 0.26 -0.63 0.00 0.00 0.00 175.10 175.08 1xck s ILE 379 N 1.50 5.27 -0.27 2.22 1.01 0.78 -2.25 121.20 129.46 1xck s ILE 379 Ca -0.01 0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 1xck s ILE 379 Cb -0.16 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1xck s ILE 379 CO -0.08 0.24 0.09 -0.54 0.00 0.00 0.00 174.94 174.65 1xck s LYS 380 N 1.68 3.52 -0.44 2.79 1.02 0.23 -0.86 119.74 127.68 1xck s LYS 380 Ca 0.11 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.29 1xck s LYS 380 Cb -0.15 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1xck s LYS 380 CO 0.09 -0.27 0.79 0.08 -0.92 0.00 0.00 175.35 175.13 1xck s VAL 381 N 1.60 4.65 0.56 3.17 1.01 -0.89 -1.69 120.40 128.82 1xck s VAL 381 Ca 0.06 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 1xck s VAL 381 Cb -0.16 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1xck s VAL 381 CO 0.04 -0.69 0.85 -0.83 0.00 0.00 0.00 175.10 174.47 1xck s GLY 382 N 2.10 1.61 0.00 4.51 0.00 -1.24 -1.81 107.32 112.49 1xck s GLY 382 Ca 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1xck s GLY 382 CO 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 173.10 172.78 1xck n ALA 383 N -2.47 0.00 -2.06 3.20 0.00 -1.26 -4.35 120.51 113.56 1xck n ALA 383 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xck n ALA 383 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1xck n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xck n ALA 384 N -0.12 -3.23 0.00 0.00 0.00 -1.26 -4.69 120.51 111.21 1xck n ALA 384 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xck n ALA 384 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1xck n ALA 384 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 385 N 0.32 0.00 -0.36 0.00 -2.24 -1.26 -4.77 114.28 105.97 1xck n THR 385 Ca 0.00 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.04 1xck n THR 385 Cb 0.00 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 1xck n THR 385 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xck h GLU 386 N 0.00 0.30 0.83 -0.78 4.81 -1.99 -2.22 114.58 115.53 1xck h GLU 386 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1xck h GLU 386 Cb 0.00 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xck h GLU 386 CO 0.00 0.20 -0.40 0.28 -0.73 0.00 0.00 179.01 178.36 1xck h VAL 387 N 0.31 0.14 -0.86 0.32 2.07 -1.99 0.20 116.25 116.44 1xck h VAL 387 Ca 0.69 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 68.22 1xck h VAL 387 Cb 1.81 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1xck h VAL 387 CO -0.40 0.01 0.56 -0.33 0.02 0.00 0.00 177.57 177.42 1xck h GLU 388 N -1.18 0.81 0.25 1.57 5.08 -1.74 0.25 114.58 119.62 1xck h GLU 388 Ca -0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1xck h GLU 388 Cb 0.86 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1xck h GLU 388 CO 0.19 0.54 -0.12 1.98 -1.00 0.00 0.00 179.01 180.59 1xck h MET 389 N 0.84 -0.33 -0.59 2.33 4.05 -1.13 0.10 114.93 120.20 1xck h MET 389 Ca 0.40 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1xck h MET 389 Cb 0.41 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 1xck h MET 389 CO -0.16 -0.12 0.37 0.87 0.23 0.00 0.00 176.91 178.10 1xck h LYS 390 N -0.49 0.79 0.32 0.39 1.79 -0.02 -0.59 116.57 118.77 1xck h LYS 390 Ca -0.03 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1xck h LYS 390 Cb 0.36 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1xck h LYS 390 CO 0.06 0.55 -0.15 1.49 -1.08 0.00 0.00 179.45 180.31 1xck h GLU 391 N 0.81 -0.42 -0.86 3.15 4.22 -0.74 -2.76 114.58 117.99 1xck h GLU 391 Ca 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 1xck h GLU 391 Cb -0.05 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1xck h GLU 391 CO -0.04 -0.11 0.51 -0.22 -2.18 0.00 0.00 179.01 176.97 1xck h LYS 392 N -0.75 1.16 -0.99 1.92 3.64 -0.84 -1.77 116.57 118.94 1xck h LYS 392 Ca -0.04 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1xck h LYS 392 Cb 0.50 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 1xck h LYS 392 CO 0.07 0.82 0.63 -0.22 -2.27 0.00 0.00 179.45 178.48 1xck h LYS 393 N 1.18 1.00 0.10 1.90 3.64 -1.09 0.18 116.57 123.47 1xck h LYS 393 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1xck h LYS 393 Cb -0.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1xck h LYS 393 CO -0.06 0.66 -0.05 0.00 -2.27 0.00 0.00 179.45 177.74 1xck h ALA 394 N 1.52 -0.13 -0.59 5.00 0.00 -1.04 -1.62 119.26 122.41 1xck h ALA 394 Ca 0.47 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1xck h ALA 394 Cb 0.40 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 394 CO -0.23 -0.44 0.40 0.00 0.00 0.00 0.00 179.25 178.98 1xck h ARG 395 N -0.41 0.39 -0.10 0.00 3.08 -0.64 -1.05 114.38 115.65 1xck h ARG 395 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1xck h ARG 395 Cb 0.34 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1xck h ARG 395 CO 0.02 0.26 -0.06 0.28 -1.07 0.00 0.00 179.97 179.40 1xck h VAL 396 N 0.40 1.33 -0.84 2.04 2.07 -0.46 -1.16 116.25 119.62 1xck h VAL 396 Ca 0.27 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.75 1xck h VAL 396 Cb 0.54 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1xck h VAL 396 CO -0.07 0.32 0.51 -0.33 0.02 0.00 0.00 177.57 178.01 1xck h GLU 397 N -0.17 0.86 0.38 1.57 5.08 -0.44 0.24 114.58 122.11 1xck h GLU 397 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xck h GLU 397 Cb 0.53 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xck h GLU 397 CO 0.02 0.57 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.97 1xck h ASP 398 N 0.89 -0.43 -0.48 1.42 3.32 -1.17 -2.51 116.42 117.46 1xck h ASP 398 Ca 0.39 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.40 1xck h ASP 398 Cb 0.26 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1xck h ASP 398 CO -0.21 -0.06 0.33 0.00 -1.72 0.00 0.00 179.24 177.58 1xck h ALA 399 N -0.41 2.18 0.01 3.45 0.00 -0.96 -0.20 119.26 123.32 1xck h ALA 399 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 399 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xck h ALA 399 CO 0.09 -0.29 -0.00 1.25 0.00 0.00 0.00 179.25 180.29 1xck h LEU 400 N 0.21 -0.01 -1.06 0.00 5.85 -0.42 0.05 115.31 119.93 1xck h LEU 400 Ca 0.22 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1xck h LEU 400 Cb 0.61 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1xck h LEU 400 CO -0.04 0.25 0.26 -0.74 -0.34 0.00 0.00 178.44 177.84 1xck h HIS 401 N -0.27 0.94 0.24 1.25 2.76 -0.83 -0.12 115.15 119.11 1xck h HIS 401 Ca -0.00 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1xck h HIS 401 Cb 0.26 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1xck h HIS 401 CO 0.01 0.72 -0.12 0.00 -1.30 0.00 0.00 177.93 177.24 1xck h ALA 402 N 1.37 -0.32 -0.89 5.26 0.00 -0.98 -2.77 119.26 120.93 1xck h ALA 402 Ca 0.22 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 402 Cb 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 402 CO -0.02 -0.53 0.57 1.15 0.00 0.00 0.00 179.25 180.43 1xck h THR 403 N -0.63 1.03 -0.30 0.00 2.02 -0.77 -0.53 112.91 113.73 1xck h THR 403 Ca -0.03 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1xck h THR 403 Cb 0.45 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1xck h THR 403 CO 0.05 0.18 0.04 -0.09 0.37 0.00 0.00 175.52 176.07 1xck h ARG 404 N 0.96 0.13 -0.45 6.66 1.12 -0.96 0.19 114.38 122.03 1xck h ARG 404 Ca 0.39 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.14 1xck h ARG 404 Cb 0.27 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.18 1xck h ARG 404 CO -0.15 0.09 -0.16 0.00 -3.11 0.00 0.00 179.97 176.64 1xck h ALA 405 N 1.23 0.88 -0.21 2.80 0.00 -1.00 -2.76 119.26 120.21 1xck h ALA 405 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1xck h ALA 405 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xck h ALA 405 CO -0.20 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.78 1xck h ALA 406 N 1.06 0.27 -0.07 0.00 0.00 -0.59 -1.45 119.26 118.48 1xck h ALA 406 Ca 0.12 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 406 Cb 0.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xck h ALA 406 CO 0.05 -0.17 0.06 0.28 0.00 0.00 0.00 179.25 179.47 1xck h VAL 407 N 0.20 0.71 0.00 0.00 2.07 -0.86 0.40 116.25 118.76 1xck h VAL 407 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1xck h VAL 407 Cb 0.12 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xck h VAL 407 CO -0.01 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.21 1xck h GLU 408 N 0.00 0.00 0.00 1.57 5.08 -1.07 -3.42 114.58 116.74 1xck h GLU 408 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 408 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xck h GLU 408 CO -0.00 0.57 -0.01 0.39 -1.00 0.00 0.00 179.01 178.97 1xck n GLU 409 N -4.67 2.28 0.00 2.33 1.02 -0.62 -5.07 120.64 115.91 1xck n GLU 409 Ca -0.06 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 1xck n GLU 409 Cb 0.29 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.79 -1.95 3.23 0.62 0.00 0.14 -4.42 105.19 102.02 1xck n GLY 410 Ca 0.05 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 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 1.22 0.20 1.61 -7.23 0.25 -0.70 120.40 115.75 1xck s VAL 411 Ca 0.00 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1xck s VAL 411 Cb 0.00 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 1xck s VAL 411 CO 0.00 -0.53 0.07 0.68 -0.31 0.00 0.00 175.10 175.01 1xck s VAL 412 N -2.50 0.39 0.32 1.32 -7.23 -0.61 -0.46 120.40 111.64 1xck s VAL 412 Ca 0.10 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1xck s VAL 412 Cb -0.03 -2.37 -0.12 0.00 0.56 0.00 0.00 36.38 34.42 1xck s VAL 412 CO 0.02 -0.21 1.36 0.00 -0.31 0.00 0.00 175.10 175.96 1xck n ALA 413 N -0.30 1.50 -1.77 1.32 0.00 -1.26 -1.30 120.51 118.70 1xck n ALA 413 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1xck n ALA 413 Cb 0.65 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1xck n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 414 N 1.10 1.47 2.38 0.00 0.00 0.45 -3.27 105.19 107.32 1xck n GLY 414 Ca 0.06 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 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 0.22 2.89 -0.02 0.00 -1.26 -1.64 105.19 110.38 1xck n GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.71 0.56 0.07 -0.02 0.00 -1.26 -4.46 105.19 99.36 1xck n GLY 416 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 1.66 -0.54 1.61 -1.51 -1.52 -3.08 116.25 112.87 1xck h VAL 417 Ca 0.00 -3.24 0.03 0.00 -1.23 0.00 0.00 66.70 62.27 1xck h VAL 417 Cb 0.12 2.75 -0.04 0.00 -2.13 0.00 0.00 31.29 31.99 1xck h VAL 417 CO 0.00 0.92 0.31 0.00 -1.23 0.00 0.00 177.57 177.57 1xck h ALA 418 N 1.06 0.69 -0.70 5.19 0.00 -1.73 0.37 119.26 124.13 1xck h ALA 418 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 418 Cb 1.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1xck h ALA 418 CO 0.12 -0.00 0.19 -0.07 0.00 0.00 0.00 179.25 179.49 1xck h LEU 419 N 0.60 1.04 -0.37 0.00 3.38 -1.85 0.17 115.31 118.28 1xck h LEU 419 Ca 0.22 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1xck h LEU 419 Cb 0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1xck h LEU 419 CO -0.12 0.98 -0.77 -0.29 0.09 0.00 0.00 178.44 178.33 1xck h ILE 420 N 1.06 1.39 0.38 1.22 2.10 -1.33 -2.00 117.51 120.33 1xck h ILE 420 Ca 0.23 -2.22 -0.02 0.00 1.08 0.00 0.00 64.86 63.92 1xck h ILE 420 Cb 0.33 2.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 1xck h ILE 420 CO -0.00 0.67 -0.18 -0.09 -1.08 0.00 0.00 178.15 177.46 1xck h ARG 421 N 0.25 -0.49 -0.98 2.19 9.65 0.05 -1.25 114.38 123.79 1xck h ARG 421 Ca -0.04 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1xck h ARG 421 Cb 1.35 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.98 1xck h ARG 421 CO 0.13 -0.27 0.63 0.28 2.80 0.00 0.00 179.97 183.54 1xck h VAL 422 N -0.61 1.06 -0.54 0.20 2.07 -0.99 -2.08 116.25 115.36 1xck h VAL 422 Ca -0.05 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 1xck h VAL 422 Cb 0.45 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1xck h VAL 422 CO 0.09 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.77 1xck h ALA 423 N 1.48 0.73 0.00 1.67 0.00 -1.16 -2.58 119.26 119.41 1xck h ALA 423 Ca 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 423 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 423 CO -0.17 0.65 -0.04 0.66 0.00 0.00 0.00 179.25 180.34 1xck h SER 424 N 0.89 0.00 1.01 0.00 4.64 -0.54 -1.84 113.55 117.71 1xck h SER 424 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1xck h SER 424 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1xck h SER 424 CO 0.05 0.04 -0.04 0.29 -0.87 0.00 0.00 176.83 176.29 1xck n LYS 425 N -3.88 0.03 -0.77 4.77 5.02 -0.97 -3.85 118.16 118.50 1xck n LYS 425 Ca -0.03 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1xck n LYS 425 Cb 0.13 -1.53 0.26 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.58 4.82 -0.35 -0.35 4.77 -0.69 -4.73 117.00 118.88 1xck n LEU 426 Ca 0.07 -3.32 0.05 0.00 -0.03 0.00 0.00 56.01 52.78 1xck n LEU 426 Cb 0.35 -0.65 0.21 0.00 -2.33 0.00 0.00 43.42 41.00 1xck n LEU 426 CO 0.28 0.89 1.23 0.00 -1.33 0.00 0.00 177.39 178.46 1xck h ALA 427 N 1.85 1.43 -0.00 -1.18 0.00 -1.69 -1.84 119.26 117.83 1xck h ALA 427 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 427 Cb 1.87 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1xck h ALA 427 CO 0.48 0.26 -0.08 -0.25 0.00 0.00 0.00 179.25 179.67 1xck n ASP 428 N -4.61 0.57 -4.71 0.00 8.00 -1.26 -4.89 116.55 109.65 1xck n ASP 428 Ca 0.17 -0.81 -0.43 0.00 0.71 0.00 0.00 54.79 54.44 1xck n ASP 428 Cb 0.30 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1xck n ASP 428 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xck n LEU 429 N -0.77 3.91 -4.27 0.64 7.94 -0.69 -4.99 117.00 118.77 1xck n LEU 429 Ca 0.17 1.06 -0.15 0.00 -1.11 0.00 0.00 56.01 55.98 1xck n LEU 429 Cb 0.26 -1.56 -0.10 0.00 0.53 0.00 0.00 43.42 42.55 1xck n LEU 429 CO 0.22 0.14 -0.32 -0.13 -1.11 0.00 0.00 177.39 176.18 1xck s ARG 430 N 1.22 1.19 0.00 1.96 1.81 -1.26 -4.97 118.95 118.90 1xck s ARG 430 Ca 0.76 -1.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1xck s ARG 430 Cb -0.52 -0.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.63 1xck s ARG 430 CO 0.33 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 1xck n GLY 431 N -0.31 5.53 0.10 -3.53 0.00 -1.26 -5.02 105.19 100.71 1xck n GLY 431 Ca -0.05 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1xck n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xck n GLN 432 N 0.00 0.37 -3.77 1.61 6.02 -1.26 -4.91 117.38 115.44 1xck n GLN 432 Ca 0.00 -0.20 -0.06 0.00 -0.01 0.00 0.00 57.00 56.73 1xck n GLN 432 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 1xck n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xck s ASN 433 N -2.77 -0.24 0.46 1.08 2.20 -1.26 -5.02 114.94 109.39 1xck s ASN 433 Ca 0.18 -0.45 0.13 0.00 -0.94 0.00 0.00 52.86 51.78 1xck s ASN 433 Cb 0.18 0.59 1.08 0.00 -2.00 0.00 0.00 41.25 41.10 1xck s ASN 433 CO 0.60 -1.08 2.06 -0.08 -2.94 0.00 0.00 177.10 175.66 1xck h GLU 434 N 2.00 0.29 -0.38 3.55 4.57 -1.99 -0.93 114.58 121.69 1xck h GLU 434 Ca -0.22 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 1xck h GLU 434 Cb 1.24 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1xck h GLU 434 CO 0.25 0.19 0.10 -0.44 -1.18 0.00 0.00 179.01 177.93 1xck h ASP 435 N 0.30 0.57 0.18 1.04 3.32 -1.96 -1.33 116.42 118.53 1xck h ASP 435 Ca 0.14 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1xck h ASP 435 Cb 0.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1xck h ASP 435 CO -0.03 0.65 -0.29 1.56 -1.72 0.00 0.00 179.24 179.40 1xck h GLN 436 N 0.47 0.19 -0.46 3.56 4.20 -1.42 -1.24 115.11 120.41 1xck h GLN 436 Ca 0.12 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1xck h GLN 436 Cb 0.29 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1xck h GLN 436 CO -0.00 0.47 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.70 1xck h ASN 437 N 0.17 0.75 -0.31 1.46 2.35 -0.75 0.03 115.58 119.28 1xck h ASN 437 Ca 0.02 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 1xck h ASN 437 Cb 0.61 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1xck h ASN 437 CO 0.04 0.83 -0.22 0.58 -1.65 0.00 0.00 177.43 177.01 1xck h VAL 438 N 0.72 1.30 -0.77 2.81 2.07 -0.76 -1.76 116.25 119.86 1xck h VAL 438 Ca 0.14 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1xck h VAL 438 Cb 0.47 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1xck h VAL 438 CO 0.02 0.44 0.44 1.23 0.02 0.00 0.00 177.57 179.72 1xck h GLY 439 N 0.45 1.17 0.99 2.17 0.00 -0.77 0.41 103.07 107.49 1xck h GLY 439 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1xck h GLY 439 CO 0.06 0.17 0.13 -2.22 0.00 0.00 0.00 176.54 174.68 1xck h ILE 440 N 0.79 1.06 -0.38 2.60 2.04 -0.71 -2.02 117.51 120.89 1xck h ILE 440 Ca 0.36 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 1xck h ILE 440 Cb 0.26 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1xck h ILE 440 CO -0.21 0.06 0.00 0.11 0.00 0.00 0.00 178.15 178.11 1xck h LYS 441 N 0.27 0.60 -0.56 2.37 1.79 -0.37 -0.80 116.57 119.88 1xck h LYS 441 Ca 0.07 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1xck h LYS 441 Cb -0.01 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1xck h LYS 441 CO -0.02 0.62 0.34 0.28 -1.08 0.00 0.00 179.45 179.60 1xck h VAL 442 N 0.57 1.08 -0.25 0.50 2.07 0.19 -0.38 116.25 120.03 1xck h VAL 442 Ca 0.12 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1xck h VAL 442 Cb 0.36 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xck h VAL 442 CO 0.01 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1xck h ALA 443 N 1.24 0.34 -0.86 1.67 0.00 -0.80 -1.27 119.26 119.57 1xck h ALA 443 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 443 Cb -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 443 CO -0.09 0.08 0.50 -0.07 0.00 0.00 0.00 179.25 179.67 1xck h LEU 444 N 0.22 1.05 -0.33 0.00 3.38 -0.89 -1.57 115.31 117.17 1xck h LEU 444 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xck h LEU 444 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xck h LEU 444 CO 0.01 0.82 -0.03 0.03 0.09 0.00 0.00 178.44 179.37 1xck h ARG 445 N 1.20 0.61 -0.39 1.13 3.08 -1.00 -2.85 114.38 116.16 1xck h ARG 445 Ca 0.31 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1xck h ARG 445 Cb -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1xck h ARG 445 CO -0.05 0.76 0.27 0.00 -1.07 0.00 0.00 179.97 179.87 1xck h ALA 446 N 0.83 1.97 0.00 0.04 0.00 -0.68 -1.26 119.26 120.17 1xck h ALA 446 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 446 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xck h ALA 446 CO 0.02 -0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 1xck n MET 447 N -4.48 0.03 0.00 0.00 2.81 -0.64 -0.78 117.12 114.06 1xck n MET 447 Ca 0.05 0.34 0.11 0.00 -1.81 0.00 0.00 57.70 56.39 1xck n MET 447 Cb 0.24 -1.50 0.05 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 -1.42 0.06 0.10 0.03 1.02 -0.47 -3.78 120.64 116.17 1xck n GLU 448 Ca 0.02 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 1xck n GLU 448 Cb 0.06 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 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 2.91 -0.77 -0.17 0.62 0.00 -1.07 -1.78 119.26 119.00 1xck h ALA 449 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 449 Cb 0.55 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1xck h ALA 449 CO 0.00 -1.00 -0.54 -1.35 0.00 0.00 0.00 179.25 176.36 1xck h PRO 450 N -0.65 -0.54 -0.08 0.00 0.11 -1.79 0.98 132.00 130.03 1xck h PRO 450 Ca 0.02 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.20 1xck h PRO 450 Cb 0.69 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 1xck h PRO 450 CO -0.27 -0.36 -0.10 1.25 -0.21 0.00 0.00 178.00 178.32 1xck h LEU 451 N -0.56 -0.29 -0.71 2.35 6.46 -1.73 -1.17 115.31 119.65 1xck h LEU 451 Ca 0.04 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.98 1xck h LEU 451 Cb 0.67 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.66 1xck h LEU 451 CO -0.46 -0.13 0.29 0.03 -0.62 0.00 0.00 178.44 177.54 1xck h ARG 452 N -0.13 0.44 -0.30 1.25 3.08 -0.90 0.98 114.38 118.80 1xck h ARG 452 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1xck h ARG 452 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xck h ARG 452 CO -0.16 0.29 0.17 0.37 -1.07 0.00 0.00 179.97 179.57 1xck h GLN 453 N 0.45 0.42 -0.02 0.04 5.75 -0.25 0.19 115.11 121.70 1xck h GLN 453 Ca 0.38 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.85 1xck h GLN 453 Cb 0.52 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1xck h GLN 453 CO -0.36 0.36 -0.13 0.82 -2.65 0.00 0.00 178.83 176.86 1xck h ILE 454 N 0.37 0.66 -0.88 2.39 2.04 -0.01 0.17 117.51 122.25 1xck h ILE 454 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1xck h ILE 454 Cb 0.06 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1xck h ILE 454 CO -0.02 0.00 0.58 0.58 0.00 0.00 0.00 178.15 179.29 1xck h VAL 455 N -0.22 1.15 -0.20 1.67 2.07 -0.62 -1.81 116.25 118.29 1xck h VAL 455 Ca 0.05 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xck h VAL 455 Cb 0.29 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1xck h VAL 455 CO -0.15 0.20 0.10 0.25 0.02 0.00 0.00 177.57 177.99 1xck h LEU 456 N 1.10 0.26 -2.44 2.57 5.85 0.61 -1.60 115.31 121.65 1xck h LEU 456 Ca 0.35 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1xck h LEU 456 Cb 0.02 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1xck h LEU 456 CO -0.10 0.29 -0.00 0.78 -0.34 0.00 0.00 178.44 179.06 1xck h ASN 457 N 0.20 0.00 0.71 1.25 2.35 -0.11 0.10 115.58 120.08 1xck h ASN 457 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 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 -0.01 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.67 1xck n GLY 459 N 1.42 0.38 3.78 0.00 0.00 0.36 -5.06 105.19 106.07 1xck n GLY 459 Ca 0.10 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.27 2.37 -0.49 1.61 0.41 -0.84 -5.04 118.70 113.45 1xck s GLU 460 Ca 0.00 -1.66 -0.28 0.00 -0.41 0.00 0.00 54.97 52.62 1xck s GLU 460 Cb 0.00 -2.16 0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1xck s GLU 460 CO 0.00 -0.08 1.08 -1.21 -0.49 0.00 0.00 175.26 174.56 1xck s GLU 461 N -3.96 3.62 0.16 1.61 2.02 -1.26 -4.32 118.70 116.57 1xck s GLU 461 Ca 0.42 0.36 -0.20 0.00 0.02 0.00 0.00 54.97 55.57 1xck s GLU 461 Cb -0.00 -3.94 0.07 0.00 0.10 0.00 0.00 34.13 30.36 1xck s GLU 461 CO 0.24 -1.40 1.64 -1.35 0.02 0.00 0.00 175.26 174.41 1xck h PRO 462 N 9.25 -0.16 -0.50 0.39 0.11 -1.87 -1.97 132.00 137.26 1xck h PRO 462 Ca -0.24 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.95 1xck h PRO 462 Cb 1.06 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1xck h PRO 462 CO 1.11 -0.10 0.34 0.66 -0.21 0.00 0.00 178.00 179.79 1xck h SER 463 N -0.16 0.37 0.06 -2.05 4.64 -1.94 0.31 113.55 114.77 1xck h SER 463 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xck h SER 463 Cb 0.43 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1xck h SER 463 CO -0.43 0.24 -0.03 0.58 -0.87 0.00 0.00 176.83 176.32 1xck h VAL 464 N 0.42 1.27 -0.42 0.95 2.07 -1.79 -1.32 116.25 117.44 1xck h VAL 464 Ca 0.22 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1xck h VAL 464 Cb 0.33 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1xck h VAL 464 CO -0.06 0.32 0.24 0.58 0.02 0.00 0.00 177.57 178.68 1xck h VAL 465 N -0.71 1.14 -0.26 2.57 2.07 -1.11 -1.13 116.25 118.83 1xck h VAL 465 Ca -0.01 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1xck h VAL 465 Cb 0.59 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1xck h VAL 465 CO 0.01 0.15 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1xck h ALA 466 N 1.10 0.21 -0.38 1.67 0.00 -0.46 -0.50 119.26 120.89 1xck h ALA 466 Ca 0.15 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1xck h ALA 466 Cb 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1xck h ALA 466 CO -0.03 -0.44 0.10 -0.97 0.00 0.00 0.00 179.25 177.92 1xck h ASN 467 N 0.05 0.08 0.19 0.00 -1.24 -0.85 -1.50 115.58 112.30 1xck h ASN 467 Ca 0.12 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 1xck h ASN 467 Cb 0.17 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1xck h ASN 467 CO -0.23 0.08 -0.09 0.74 -1.29 0.00 0.00 177.43 176.64 1xck h THR 468 N 0.24 0.85 -0.88 -3.57 2.02 -0.63 -2.51 112.91 108.43 1xck h THR 468 Ca 0.18 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1xck h THR 468 Cb 0.18 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 1xck h THR 468 CO -0.21 0.04 0.50 0.58 0.37 0.00 0.00 175.52 176.80 1xck h VAL 469 N -0.32 0.85 -0.63 3.16 2.07 -0.91 0.15 116.25 120.62 1xck h VAL 469 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xck h VAL 469 Cb 0.25 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1xck h VAL 469 CO 0.04 0.14 0.37 0.11 0.02 0.00 0.00 177.57 178.25 1xck h LYS 470 N 0.79 0.85 0.00 1.57 1.57 -1.05 -1.73 116.57 118.57 1xck h LYS 470 Ca 0.45 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1xck h LYS 470 Cb 0.49 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xck h LYS 470 CO -0.29 0.60 -0.01 0.78 -0.57 0.00 0.00 179.45 179.97 1xck h GLY 471 N 0.90 0.00 0.00 3.86 0.00 -0.53 -3.44 103.07 103.87 1xck h GLY 471 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1xck h GLY 471 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1xck n GLY 472 N -0.74 0.15 3.23 4.60 0.00 -0.65 -5.12 105.19 106.67 1xck n GLY 472 Ca -0.02 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.00 0.55 0.37 1.61 1.01 -1.26 -5.02 116.67 112.92 1xck s ASP 473 Ca 0.00 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1xck s ASP 473 Cb 0.00 0.38 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1xck s ASP 473 CO 0.00 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.13 1xck n GLY 474 N -0.36 2.71 2.12 0.21 0.00 -1.26 -0.69 105.19 107.92 1xck n GLY 474 Ca 0.02 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 2.05 4.83 -4.72 1.61 4.13 -1.26 -4.93 115.26 116.97 1xck n ASN 475 Ca 0.00 -3.47 -0.41 0.00 1.68 0.00 0.00 54.58 52.38 1xck n ASN 475 Cb 0.00 -0.86 -0.04 0.00 -1.54 0.00 0.00 39.78 37.34 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 -3.02 3.73 0.07 3.10 5.04 0.13 -0.16 117.35 126.25 1xck s TYR 476 Ca 0.52 1.73 -0.05 0.00 -2.44 0.00 0.00 57.07 56.83 1xck s TYR 476 Cb 0.43 -3.11 0.02 0.00 0.35 0.00 0.00 41.96 39.64 1xck s TYR 476 CO 0.06 -0.00 0.23 0.41 -1.34 0.00 0.00 175.55 174.92 1xck n GLY 477 N 2.44 1.36 3.72 8.97 0.00 0.47 -4.72 105.19 117.44 1xck n GLY 477 Ca 0.04 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -5.89 3.41 -0.80 1.61 5.04 -1.26 -1.32 117.35 118.14 1xck s TYR 478 Ca 0.05 0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.91 1xck s TYR 478 Cb -0.01 -2.24 0.15 0.00 0.35 0.00 0.00 41.96 40.21 1xck s TYR 478 CO 0.02 0.23 0.90 1.21 -1.34 0.00 0.00 175.55 176.57 1xck s ASN 479 N 0.51 6.55 0.44 4.32 3.84 -0.13 -4.90 114.94 125.57 1xck s ASN 479 Ca 0.11 -2.08 0.22 0.00 0.21 0.00 0.00 52.86 51.32 1xck s ASN 479 Cb -0.12 -2.31 1.20 0.00 -0.55 0.00 0.00 41.25 39.47 1xck s ASN 479 CO 0.01 -0.92 1.80 0.00 -2.79 0.00 0.00 177.10 175.20 1xck h ALA 480 N 8.59 2.42 -0.31 1.71 0.00 -1.94 0.55 119.26 130.27 1xck h ALA 480 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 480 Cb 1.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xck h ALA 480 CO 0.99 -0.79 0.09 0.00 0.00 0.00 0.00 179.25 179.54 1xck h ALA 481 N 1.58 0.41 -0.02 0.00 0.00 -1.96 -3.29 119.26 115.98 1xck h ALA 481 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1xck h ALA 481 Cb 1.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xck h ALA 481 CO -0.21 0.05 -0.22 0.25 0.00 0.00 0.00 179.25 179.12 1xck n THR 482 N -4.68 0.00 -1.91 0.00 -2.24 -0.64 -4.98 114.28 99.84 1xck n THR 482 Ca -0.02 -0.39 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 1xck n THR 482 Cb 0.17 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.34 -1.40 -4.80 -0.78 1.02 0.18 -4.98 120.64 110.21 1xck n GLU 483 Ca 0.08 1.05 -0.33 0.00 -0.02 0.00 0.00 57.16 57.95 1xck n GLU 483 Cb 0.40 -5.47 -0.13 0.00 -0.02 0.00 0.00 31.44 26.22 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 -4.20 2.83 0.52 3.49 0.41 -1.18 -4.89 118.70 115.68 1xck s GLU 484 Ca 0.00 -0.67 -0.06 0.00 -0.41 0.00 0.00 54.97 53.84 1xck s GLU 484 Cb 0.00 -2.50 -0.02 0.00 -1.78 0.00 0.00 34.13 29.83 1xck s GLU 484 CO 0.00 0.50 0.83 0.71 -0.49 0.00 0.00 175.26 176.81 1xck s TYR 485 N -0.39 3.48 -5.00 1.61 1.51 -1.26 -0.96 117.35 116.34 1xck s TYR 485 Ca 0.05 0.78 0.00 0.00 -1.01 0.00 0.00 57.07 56.89 1xck s TYR 485 Cb -0.12 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 1xck s TYR 485 CO 0.02 -0.45 0.00 0.41 -1.11 0.00 0.00 175.55 174.42 1xck n GLY 486 N -2.37 -0.65 3.62 0.71 0.00 -0.43 -4.92 105.19 101.14 1xck n GLY 486 Ca 0.02 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 6.77 0.27 1.61 3.84 -1.26 -0.39 114.94 121.77 1xck s ASN 487 Ca 0.00 0.73 -0.01 0.00 0.21 0.00 0.00 52.86 53.79 1xck s ASN 487 Cb 0.00 -2.52 0.48 0.00 -0.55 0.00 0.00 41.25 38.67 1xck s ASN 487 CO 0.00 -0.97 1.83 0.24 -2.79 0.00 0.00 177.10 175.41 1xck h MET 488 N 8.51 0.90 -0.15 0.43 2.86 -0.86 0.11 114.93 126.73 1xck h MET 488 Ca -0.22 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1xck h MET 488 Cb 1.07 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1xck h MET 488 CO 1.04 0.59 -0.04 0.82 1.06 0.00 0.00 176.91 180.38 1xck h ILE 489 N 0.92 1.29 -0.57 -1.22 1.08 -1.76 0.51 117.51 117.76 1xck h ILE 489 Ca 0.45 -1.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1xck h ILE 489 Cb 0.42 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.75 1xck h ILE 489 CO -0.25 0.29 0.27 0.44 -0.69 0.00 0.00 178.15 178.21 1xck h ASP 490 N -0.00 0.37 0.00 1.72 3.32 -1.82 0.18 116.42 120.18 1xck h ASP 490 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xck h ASP 490 Cb 0.47 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1xck h ASP 490 CO 0.02 0.24 0.00 0.23 -1.72 0.00 0.00 179.24 178.01 1xck n MET 491 N -4.89 0.58 -1.97 3.56 2.81 -0.02 -4.86 117.12 112.33 1xck n MET 491 Ca 0.06 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 1xck n MET 491 Cb 0.18 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.15 0.26 3.08 3.03 0.00 0.62 -4.99 105.19 107.33 1xck n GLY 492 Ca 0.11 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.50 3.38 0.29 -0.61 1.01 0.12 -5.02 121.20 117.88 1xck s ILE 493 Ca 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 60.65 57.89 1xck s ILE 493 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1xck s ILE 493 CO 0.00 -0.81 0.14 -1.48 0.00 0.00 0.00 174.94 172.79 1xck s LEU 494 N 0.21 1.64 0.01 2.97 0.05 -1.26 -0.41 118.68 121.89 1xck s LEU 494 Ca 0.15 -1.51 0.00 0.00 0.05 0.00 0.00 54.13 52.82 1xck s LEU 494 Cb -0.22 0.16 -0.01 0.00 -2.05 0.00 0.00 46.19 44.08 1xck s LEU 494 CO -0.03 -0.85 -0.02 -1.81 -0.55 0.00 0.00 176.35 173.09 1xck s ASP 495 N -3.35 0.16 0.23 1.48 1.01 -0.42 -4.54 116.67 111.24 1xck s ASP 495 Ca 0.36 -0.23 -0.30 0.00 0.71 0.00 0.00 52.55 53.09 1xck s ASP 495 Cb 0.06 0.04 -0.10 0.00 1.01 0.00 0.00 42.92 43.93 1xck s ASP 495 CO 0.16 -0.13 1.44 -2.84 0.21 0.00 0.00 175.17 174.02 1xck s PRO 496 N -0.65 4.27 0.48 8.23 0.02 -1.26 -1.57 135.00 144.52 1xck s PRO 496 Ca -0.07 2.29 0.26 0.00 0.02 0.00 0.00 61.00 63.50 1xck s PRO 496 Cb -0.04 -3.12 1.32 0.00 0.02 0.00 0.00 34.50 32.68 1xck s PRO 496 CO -0.00 -0.43 1.85 1.15 -0.33 0.00 0.00 177.00 179.24 1xck h THR 497 N 3.61 0.56 -0.66 0.99 2.02 -1.12 0.13 112.91 118.44 1xck h THR 497 Ca -0.45 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1xck h THR 497 Cb 1.22 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1xck h THR 497 CO 0.79 0.03 0.28 0.50 0.37 0.00 0.00 175.52 177.49 1xck h LYS 498 N 0.17 0.95 -0.12 6.66 3.64 -1.81 -0.42 116.57 125.64 1xck h LYS 498 Ca 0.48 -0.14 -0.21 0.00 -1.27 0.00 0.00 60.65 59.51 1xck h LYS 498 Cb 1.60 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1xck h LYS 498 CO -0.10 0.76 -0.78 -0.39 -2.27 0.00 0.00 179.45 176.68 1xck h VAL 499 N 0.94 1.31 -0.40 2.00 -1.51 -1.07 -0.99 116.25 116.53 1xck h VAL 499 Ca 0.22 -2.04 -0.07 0.00 -1.23 0.00 0.00 66.70 63.58 1xck h VAL 499 Cb 0.15 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1xck h VAL 499 CO -0.02 0.64 -0.03 0.74 -1.23 0.00 0.00 177.57 177.66 1xck h THR 500 N 0.45 1.27 -0.30 7.19 2.02 -1.36 0.30 112.91 122.47 1xck h THR 500 Ca -0.05 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1xck h THR 500 Cb 1.39 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1xck h THR 500 CO 0.15 0.36 0.20 -0.09 0.37 0.00 0.00 175.52 176.51 1xck h ARG 501 N 0.54 0.40 -0.12 6.66 2.43 -1.04 -2.02 114.38 121.23 1xck h ARG 501 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xck h ARG 501 Cb 0.52 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1xck h ARG 501 CO 0.03 0.28 0.05 0.77 -1.51 0.00 0.00 179.97 179.59 1xck h SER 502 N 0.40 0.16 -0.68 -3.80 0.02 -1.04 -1.05 113.55 107.57 1xck h SER 502 Ca 0.11 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.03 1xck h SER 502 Cb -0.03 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 1xck h SER 502 CO -0.02 0.26 0.27 0.00 -1.14 0.00 0.00 176.83 176.20 1xck h ALA 503 N 0.90 0.91 0.01 3.77 0.00 -0.81 0.42 119.26 124.47 1xck h ALA 503 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 503 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xck h ALA 503 CO -0.00 -0.17 -0.01 1.25 0.00 0.00 0.00 179.25 180.32 1xck h LEU 504 N 0.45 -0.01 -0.48 0.00 5.85 -1.20 -1.87 115.31 118.05 1xck h LEU 504 Ca 0.35 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xck h LEU 504 Cb 0.46 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xck h LEU 504 CO -0.34 0.37 0.29 1.56 -0.34 0.00 0.00 178.44 179.98 1xck h GLN 505 N -0.39 0.65 -0.38 1.25 4.20 -0.79 0.01 115.11 119.66 1xck h GLN 505 Ca -0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1xck h GLN 505 Cb 0.38 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xck h GLN 505 CO 0.00 0.47 0.03 1.88 -0.67 0.00 0.00 178.83 180.54 1xck h TYR 506 N 0.64 0.69 -0.09 2.96 0.05 -0.99 -0.06 116.97 120.17 1xck h TYR 506 Ca 0.17 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.86 1xck h TYR 506 Cb -0.02 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1xck h TYR 506 CO -0.03 0.71 -0.02 0.00 -1.05 0.00 0.00 178.16 177.77 1xck h ALA 507 N 0.89 0.07 -0.67 3.88 0.00 -1.09 -1.21 119.26 121.13 1xck h ALA 507 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 507 Cb 0.41 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xck h ALA 507 CO 0.01 -0.48 0.44 0.00 0.00 0.00 0.00 179.25 179.22 1xck h ALA 508 N 1.09 1.57 0.60 0.00 0.00 -0.88 -1.07 119.26 120.56 1xck h ALA 508 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 508 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xck h ALA 508 CO -0.09 0.39 -0.31 1.03 0.00 0.00 0.00 179.25 180.27 1xck h SER 509 N 0.86 -0.74 0.19 0.00 0.87 0.17 0.89 113.55 115.79 1xck h SER 509 Ca 0.25 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1xck h SER 509 Cb -0.04 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1xck h SER 509 CO -0.06 -0.51 -0.33 1.62 -0.53 0.00 0.00 176.83 177.02 1xck h VAL 510 N -0.83 1.27 -0.55 2.23 3.04 -1.17 -2.28 116.25 117.97 1xck h VAL 510 Ca -0.08 -1.31 -0.09 0.00 -1.01 0.00 0.00 66.70 64.21 1xck h VAL 510 Cb 0.65 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 1xck h VAL 510 CO 0.12 0.39 0.01 0.00 -1.01 0.00 0.00 177.57 177.08 1xck h ALA 511 N 1.46 0.74 -0.73 3.17 0.00 -1.03 -1.71 119.26 121.16 1xck h ALA 511 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xck h ALA 511 Cb 0.69 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xck h ALA 511 CO 0.05 0.56 0.46 0.78 0.00 0.00 0.00 179.25 181.10 1xck h GLY 512 N 0.84 1.05 0.99 0.00 0.00 -0.42 -1.03 103.07 104.51 1xck h GLY 512 Ca 0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1xck h GLY 512 CO 0.03 0.41 0.22 1.41 0.00 0.00 0.00 176.54 178.60 1xck h LEU 513 N 1.00 0.82 -0.24 3.11 3.38 -1.13 -2.69 115.31 119.56 1xck h LEU 513 Ca 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1xck h LEU 513 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xck h LEU 513 CO -0.05 0.78 -0.10 0.24 0.09 0.00 0.00 178.44 179.40 1xck h MET 514 N 0.81 0.49 -0.27 1.13 2.86 -1.05 -2.81 114.93 116.08 1xck h MET 514 Ca 0.19 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1xck h MET 514 Cb 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1xck h MET 514 CO -0.01 0.74 0.22 0.82 1.06 0.00 0.00 176.91 179.74 1xck h ILE 515 N 0.21 0.74 -0.82 -1.22 2.04 -1.14 -0.84 117.51 116.48 1xck h ILE 515 Ca 0.06 0.00 -0.42 0.00 1.00 0.00 0.00 64.86 65.50 1xck h ILE 515 Cb 0.59 0.84 -0.25 0.00 -0.74 0.00 0.00 36.82 37.26 1xck h ILE 515 CO 0.03 0.00 0.45 0.35 0.00 0.00 0.00 178.15 178.98 1xck n THR 516 N -4.26 3.03 -3.85 -0.27 -2.24 -1.02 -4.80 114.28 100.87 1xck n THR 516 Ca 0.04 -2.13 -0.36 0.00 -2.27 0.00 0.00 64.05 59.33 1xck n THR 516 Cb 0.37 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.27 5.29 -0.02 4.28 2.01 -0.32 -4.97 115.64 118.63 1xck s THR 517 Ca 0.54 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1xck s THR 517 Cb 0.46 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1xck s THR 517 CO 0.08 0.51 0.06 -0.62 -0.69 0.00 0.00 174.62 173.95 1xck n GLU 518 N 2.98 1.36 -3.86 4.92 -0.58 -1.26 -4.81 120.64 119.39 1xck n GLU 518 Ca -0.17 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.44 1xck n GLU 518 Cb 0.53 -0.96 -0.10 0.00 -0.57 0.00 0.00 31.44 30.34 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 -1.06 0.48 -0.08 0.00 -1.94 0.12 -4.99 119.30 111.83 1xck s MET 520 Ca -0.11 -0.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.84 1xck s MET 520 Cb -0.06 -0.54 0.00 0.00 2.01 0.00 0.00 34.83 36.24 1xck s MET 520 CO 0.01 -0.03 -0.20 0.08 -0.01 0.00 0.00 175.02 174.87 1xck s VAL 521 N 0.57 1.75 0.29 -6.03 1.01 -1.26 -1.24 120.40 115.49 1xck s VAL 521 Ca -0.06 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1xck s VAL 521 Cb -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1xck s VAL 521 CO -0.01 0.49 0.50 0.28 0.00 0.00 0.00 175.10 176.36 1xck s THR 522 N 0.40 0.00 0.59 3.92 -1.32 -0.85 -4.98 115.64 113.41 1xck s THR 522 Ca -0.16 -1.44 -0.16 0.00 -1.21 0.00 0.00 61.69 58.72 1xck s THR 522 Cb -0.17 -2.40 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 1xck s THR 522 CO 0.07 0.00 1.06 -1.81 -2.21 0.00 0.00 174.62 171.73 1xck s ASP 523 N -3.09 5.76 0.23 8.08 1.01 -1.26 0.47 116.67 127.87 1xck s ASP 523 Ca 0.25 1.85 -0.30 0.00 0.71 0.00 0.00 52.55 55.06 1xck s ASP 523 Cb -0.01 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1xck s ASP 523 CO 0.13 -1.18 1.20 -0.76 0.21 0.00 0.00 175.17 174.76 1xck s LEU 524 N -4.44 4.47 0.00 1.23 1.02 -1.18 -4.52 118.68 115.26 1xck s LEU 524 Ca 0.64 2.32 0.00 0.00 0.02 0.00 0.00 54.13 57.11 1xck s LEU 524 Cb -0.17 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.43 1xck s LEU 524 CO 0.36 -0.35 0.42 -0.81 0.02 0.00 0.00 176.35 175.99