#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 1.96 -2.25 0.00 0.00 -1.26 -4.96 120.51 114.01 1xck n ALA 3 Ca 0.00 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1xck n ALA 3 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.00 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 1.32 2.83 -0.22 0.00 -0.14 -1.26 -3.08 119.74 119.19 1xck s LYS 4 Ca 0.78 -1.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1xck s LYS 4 Cb -0.60 -2.66 0.04 0.00 -1.68 0.00 0.00 37.83 32.93 1xck s LYS 4 CO 0.36 -0.11 -0.15 0.34 -0.76 0.00 0.00 175.35 175.03 1xck s ASP 5 N -4.21 3.76 -0.18 2.83 -1.08 0.84 -4.77 116.67 113.86 1xck s ASP 5 Ca 0.49 -1.02 -0.03 0.00 -0.52 0.00 0.00 52.55 51.47 1xck s ASP 5 Cb -0.08 -1.49 -0.02 0.00 -1.46 0.00 0.00 42.92 39.87 1xck s ASP 5 CO 0.31 -0.10 -0.05 -0.69 0.52 0.00 0.00 175.17 175.16 1xck s VAL 6 N 1.21 3.62 0.09 1.11 1.01 -1.26 -2.12 120.40 124.07 1xck s VAL 6 Ca -0.02 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1xck s VAL 6 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1xck s VAL 6 CO -0.09 0.46 -0.16 -0.54 0.00 0.00 0.00 175.10 174.77 1xck s LYS 7 N 0.80 1.95 0.36 2.72 1.02 -0.43 -4.98 119.74 121.18 1xck s LYS 7 Ca -0.01 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 54.98 1xck s LYS 7 Cb -0.15 -2.18 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 1xck s LYS 7 CO 0.02 0.51 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.84 1xck s PHE 8 N -1.09 2.37 0.00 3.18 0.08 -1.26 -1.22 117.98 120.04 1xck s PHE 8 Ca 0.18 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1xck s PHE 8 Cb -0.11 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1xck s PHE 8 CO 0.09 0.48 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 1xck n GLY 9 N -0.82 0.75 0.27 4.36 0.00 0.85 -1.64 105.19 108.96 1xck n GLY 9 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.63 -0.74 1.61 -0.73 -1.93 -1.25 115.58 113.17 1xck h ASN 10 Ca 0.00 0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.29 1xck h ASN 10 Cb 0.00 -0.11 -0.07 0.00 0.27 0.00 0.00 38.32 38.41 1xck h ASN 10 CO 0.00 0.41 0.39 -0.78 -0.37 0.00 0.00 177.43 177.08 1xck h ASP 11 N 0.77 0.52 -0.38 1.15 -0.00 -1.84 -1.59 116.42 115.05 1xck h ASP 11 Ca 0.31 0.06 -0.11 0.00 -0.00 0.00 0.00 57.03 57.28 1xck h ASP 11 Cb 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.44 1xck h ASP 11 CO -0.17 0.29 -0.21 0.00 -0.00 0.00 0.00 179.24 179.16 1xck h ALA 12 N 1.44 0.53 -0.26 -0.78 0.00 -0.48 -3.13 119.26 116.58 1xck h ALA 12 Ca 0.36 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 12 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 12 CO -0.26 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.20 1xck h ARG 13 N 0.60 0.52 -0.39 0.00 3.08 -0.69 -2.36 114.38 115.15 1xck h ARG 13 Ca 0.08 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1xck h ARG 13 Cb 0.76 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1xck h ARG 13 CO 0.06 0.75 -0.26 -0.39 -1.07 0.00 0.00 179.97 179.05 1xck h VAL 14 N 0.46 1.27 0.03 2.04 -1.51 -1.35 -0.92 116.25 116.27 1xck h VAL 14 Ca 0.06 -1.40 0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1xck h VAL 14 Cb 0.71 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 1xck h VAL 14 CO 0.05 0.47 -0.13 0.11 -1.23 0.00 0.00 177.57 176.84 1xck h LYS 15 N 0.69 -0.23 -0.34 5.19 1.79 -1.45 0.23 116.57 122.45 1xck h LYS 15 Ca 0.09 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1xck h LYS 15 Cb 0.80 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 1xck h LYS 15 CO 0.07 -0.15 0.14 0.52 -1.08 0.00 0.00 179.45 178.94 1xck h MET 16 N -0.24 0.29 0.07 3.15 2.86 -1.23 -0.71 114.93 119.12 1xck h MET 16 Ca 0.04 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1xck h MET 16 Cb 0.28 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1xck h MET 16 CO -0.11 0.19 -0.12 1.25 1.06 0.00 0.00 176.91 179.19 1xck h LEU 17 N 0.30 -0.32 -1.16 1.22 5.85 -0.79 0.30 115.31 120.71 1xck h LEU 17 Ca 0.15 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.09 1xck h LEU 17 Cb 0.10 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 1xck h LEU 17 CO -0.14 -0.18 0.61 -0.09 -0.34 0.00 0.00 178.44 178.31 1xck h ARG 18 N -0.24 0.67 -0.07 1.25 9.65 -0.20 0.15 114.38 125.59 1xck h ARG 18 Ca 0.02 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1xck h ARG 18 Cb 0.25 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1xck h ARG 18 CO -0.06 0.45 -0.09 0.78 2.80 0.00 0.00 179.97 183.84 1xck h GLY 19 N 0.69 0.20 2.00 2.80 0.00 -0.08 -2.95 103.07 105.73 1xck h GLY 19 Ca 0.54 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 1xck h GLY 19 CO -0.31 0.19 -0.22 -0.39 0.00 0.00 0.00 176.54 175.82 1xck h VAL 20 N -0.26 0.74 -0.47 4.60 -1.51 0.05 -2.58 116.25 116.82 1xck h VAL 20 Ca 0.01 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 1xck h VAL 20 Cb 0.61 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1xck h VAL 20 CO 0.02 0.21 0.17 0.78 -1.23 0.00 0.00 177.57 177.53 1xck h ASN 21 N 0.00 0.66 -0.12 4.19 2.35 -0.69 0.34 115.58 122.30 1xck h ASN 21 Ca -0.00 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1xck h ASN 21 Cb 0.53 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1xck h ASN 21 CO 0.03 0.66 -0.00 0.58 -1.65 0.00 0.00 177.43 177.05 1xck h VAL 22 N 0.62 0.91 0.42 2.81 2.07 -1.29 0.23 116.25 122.02 1xck h VAL 22 Ca 0.15 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xck h VAL 22 Cb 0.22 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xck h VAL 22 CO -0.01 0.01 -0.27 0.25 0.02 0.00 0.00 177.57 177.56 1xck h LEU 23 N 0.04 -0.69 -0.25 2.57 5.85 -1.28 -2.15 115.31 119.40 1xck h LEU 23 Ca 0.06 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xck h LEU 23 Cb 0.07 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1xck h LEU 23 CO -0.10 -0.43 0.13 0.00 -0.34 0.00 0.00 178.44 177.70 1xck h ALA 24 N -0.14 0.30 -0.10 1.25 0.00 -0.12 -1.87 119.26 118.58 1xck h ALA 24 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 24 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xck h ALA 24 CO 0.04 -0.27 -0.14 -0.44 0.00 0.00 0.00 179.25 178.44 1xck h ASP 25 N 0.27 0.14 0.04 0.00 3.32 -0.53 0.87 116.42 120.53 1xck h ASP 25 Ca 0.10 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 1xck h ASP 25 Cb 0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xck h ASP 25 CO -0.06 0.30 -0.75 0.00 -1.72 0.00 0.00 179.24 177.01 1xck h ALA 26 N 1.72 0.46 0.11 3.45 0.00 -1.08 -3.34 119.26 120.57 1xck h ALA 26 Ca 0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 1xck h ALA 26 Cb 0.34 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xck h ALA 26 CO 0.02 0.72 -0.69 0.28 0.00 0.00 0.00 179.25 179.58 1xck h VAL 27 N 0.42 1.53 0.00 0.00 2.07 -0.98 -3.37 116.25 115.93 1xck h VAL 27 Ca -0.04 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1xck h VAL 27 Cb 1.35 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 1xck h VAL 27 CO 0.14 0.69 0.00 2.29 0.02 0.00 0.00 177.57 180.71 1xck n LYS 28 N -4.20 0.11 0.00 1.57 2.85 0.27 -2.24 118.16 116.52 1xck n LYS 28 Ca -0.13 0.47 0.09 0.00 -1.05 0.00 0.00 58.31 57.70 1xck n LYS 28 Cb 0.76 -1.77 0.43 0.00 -0.65 0.00 0.00 35.03 33.80 1xck n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1xck n VAL 29 N -1.99 0.61 0.06 0.58 0.24 -1.25 -2.68 118.33 113.89 1xck n VAL 29 Ca 0.01 0.15 0.10 0.00 -2.04 0.00 0.00 64.34 62.56 1xck n VAL 29 Cb 0.12 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.60 1xck n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xck n THR 30 N -1.45 0.49 0.00 3.34 -2.24 -0.95 0.13 114.28 113.60 1xck n THR 30 Ca 0.06 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1xck n THR 30 Cb 0.21 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1xck n THR 30 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xck n LEU 31 N -2.56 0.00 0.00 3.22 7.94 -1.09 -4.13 117.00 120.38 1xck n LEU 31 Ca -0.03 0.68 -0.19 0.00 -1.11 0.00 0.00 56.01 55.35 1xck n LEU 31 Cb 0.60 -0.23 0.19 0.00 0.53 0.00 0.00 43.42 44.50 1xck n LEU 31 CO 0.42 -0.23 0.22 0.61 -1.11 0.00 0.00 177.39 177.30 1xck n GLY 32 N -0.97 -2.78 0.17 -3.96 0.00 -1.26 -4.72 105.19 91.67 1xck n GLY 32 Ca 0.00 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.27 1xck n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xck n PRO 33 N -3.05 1.01 -0.73 1.61 -0.04 -1.26 -2.21 135.00 130.32 1xck n PRO 33 Ca 0.09 -0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.19 1xck n PRO 33 Cb 0.38 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.57 1xck n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xck n LYS 34 N -0.70 2.20 -1.72 0.54 4.76 -1.26 -5.02 118.16 116.96 1xck n LYS 34 Ca 0.18 -3.07 -0.38 0.00 -2.87 0.00 0.00 58.31 52.17 1xck n LYS 34 Cb 0.25 -1.86 0.05 0.00 -1.84 0.00 0.00 35.03 31.64 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 -0.94 0.53 3.97 0.72 0.00 -0.94 -4.60 105.19 103.93 1xck n GLY 35 Ca 0.32 -0.07 -0.23 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 -3.05 2.11 0.09 1.61 1.81 0.12 -4.93 118.95 116.71 1xck s ARG 36 Ca 0.77 -0.79 -0.06 0.00 -1.72 0.00 0.00 55.73 53.92 1xck s ARG 36 Cb -0.40 -2.35 -0.05 0.00 -0.45 0.00 0.00 34.95 31.69 1xck s ARG 36 CO 0.45 -1.13 0.35 -0.80 -0.68 0.00 0.00 175.30 173.49 1xck s ASN 37 N -4.57 6.52 -0.07 0.23 0.02 -1.26 -4.39 114.94 111.42 1xck s ASN 37 Ca 0.62 0.62 0.05 0.00 -1.02 0.00 0.00 52.86 53.13 1xck s ASN 37 Cb -0.08 -2.11 -0.00 0.00 0.02 0.00 0.00 41.25 39.07 1xck s ASN 37 CO 0.42 0.13 -0.23 -0.69 0.02 0.00 0.00 177.10 176.76 1xck s VAL 38 N -1.50 1.92 -0.29 1.60 1.01 0.35 -4.94 120.40 118.55 1xck s VAL 38 Ca 0.36 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1xck s VAL 38 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xck s VAL 38 CO 0.21 0.53 0.18 -0.69 0.00 0.00 0.00 175.10 175.33 1xck s VAL 39 N 0.10 5.07 -0.29 2.92 1.01 -1.26 -1.21 120.40 126.74 1xck s VAL 39 Ca -0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1xck s VAL 39 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1xck s VAL 39 CO 0.05 0.20 0.13 -0.76 0.00 0.00 0.00 175.10 174.72 1xck s LEU 40 N 1.71 3.90 0.44 3.92 1.43 0.15 -4.91 118.68 125.33 1xck s LEU 40 Ca 0.06 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 1xck s LEU 40 Cb -0.16 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 1xck s LEU 40 CO 0.09 -0.14 1.08 -0.62 0.23 0.00 0.00 176.35 176.99 1xck s ASP 41 N 1.61 6.47 -0.06 2.29 2.15 -1.26 0.21 116.67 128.08 1xck s ASP 41 Ca 0.05 2.08 0.02 0.00 0.43 0.00 0.00 52.55 55.14 1xck s ASP 41 Cb -0.16 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 1xck s ASP 41 CO 0.05 -0.69 -0.12 -0.54 -0.17 0.00 0.00 175.17 173.70 1xck s LYS 42 N -2.75 1.67 0.33 4.34 1.02 -1.26 -4.88 119.74 118.21 1xck s LYS 42 Ca 0.62 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 56.30 1xck s LYS 42 Cb -0.22 -1.39 0.99 0.00 -0.52 0.00 0.00 37.83 36.68 1xck s LYS 42 CO 0.27 0.04 1.65 0.66 -0.92 0.00 0.00 175.35 177.06 1xck h SER 43 N 6.90 0.33 -3.50 2.83 4.64 -1.97 -3.37 113.55 119.41 1xck h SER 43 Ca -0.31 0.20 -0.66 0.00 -0.47 0.00 0.00 61.79 60.54 1xck h SER 43 Cb 1.19 0.19 -0.27 0.00 -0.31 0.00 0.00 62.40 63.19 1xck h SER 43 CO 0.48 -0.16 -0.69 -0.36 -0.87 0.00 0.00 176.83 175.23 1xck s PHE 44 N -5.74 3.04 0.00 4.77 0.08 -1.26 -5.04 117.98 113.83 1xck s PHE 44 Ca -0.11 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 55.96 1xck s PHE 44 Cb 0.29 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 1xck s PHE 44 CO 0.78 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1xck n GLY 45 N 4.81 -1.35 3.85 4.36 0.00 -1.26 -4.97 105.19 110.64 1xck n GLY 45 Ca -0.17 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.82 3.24 0.93 4.61 0.00 -1.26 -4.81 121.76 122.65 1xck s ALA 46 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 1xck s ALA 46 Cb 0.00 -2.87 0.15 0.00 0.00 0.00 0.00 23.12 20.40 1xck s ALA 46 CO 0.00 0.12 1.10 -2.14 0.00 0.00 0.00 175.76 174.84 1xck s PRO 47 N -3.40 0.91 -0.20 0.00 0.02 -1.26 -4.62 135.00 126.44 1xck s PRO 47 Ca 0.56 1.12 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 1xck s PRO 47 Cb -0.10 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 1xck s PRO 47 CO 0.22 -2.57 0.16 0.99 -0.33 0.00 0.00 177.00 175.47 1xck s THR 48 N -2.74 5.39 -0.19 0.99 2.01 0.13 -4.92 115.64 116.31 1xck s THR 48 Ca 0.65 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 1xck s THR 48 Cb -0.21 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1xck s THR 48 CO 0.59 0.42 0.03 -0.63 -0.69 0.00 0.00 174.62 174.34 1xck s ILE 49 N 0.43 4.36 0.09 1.82 1.01 -1.26 0.35 121.20 128.00 1xck s ILE 49 Ca 0.09 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1xck s ILE 49 Cb -0.11 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1xck s ILE 49 CO -0.01 0.44 0.17 0.28 0.00 0.00 0.00 174.94 175.82 1xck s THR 50 N 0.67 0.14 0.00 2.92 -1.32 -0.35 -4.96 115.64 112.75 1xck s THR 50 Ca 0.01 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1xck s THR 50 Cb -0.14 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1xck s THR 50 CO 0.02 -0.66 0.86 0.29 -2.21 0.00 0.00 174.62 172.93 1xck n LYS 51 N -0.05 2.06 -2.86 7.08 5.02 -1.26 -0.49 118.16 127.64 1xck n LYS 51 Ca -0.14 -1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 54.49 1xck n LYS 51 Cb 0.62 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.63 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -0.74 6.36 0.56 4.39 2.15 -1.26 -4.81 116.67 123.32 1xck s ASP 52 Ca 0.00 -0.30 0.26 0.00 0.43 0.00 0.00 52.55 52.94 1xck s ASP 52 Cb 0.00 -2.43 1.51 0.00 -0.30 0.00 0.00 42.92 41.71 1xck s ASP 52 CO 0.00 -1.16 2.05 1.23 -0.17 0.00 0.00 175.17 177.12 1xck h GLY 53 N 10.78 0.00 1.12 2.66 0.00 -1.94 -1.68 103.07 114.01 1xck h GLY 53 Ca -0.26 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 1xck h GLY 53 CO 1.06 0.00 -0.54 -2.08 0.00 0.00 0.00 176.54 174.99 1xck h VAL 54 N 0.00 1.28 -0.35 4.60 2.07 -1.96 -0.97 116.25 120.92 1xck h VAL 54 Ca 0.15 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1xck h VAL 54 Cb 0.69 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1xck h VAL 54 CO -0.00 0.56 0.16 0.28 0.02 0.00 0.00 177.57 178.59 1xck h SER 55 N 0.61 0.46 0.54 0.57 0.02 -1.74 -1.92 113.55 112.10 1xck h SER 55 Ca 0.01 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1xck h SER 55 Cb 1.15 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1xck h SER 55 CO 0.12 0.47 -0.27 0.58 -1.14 0.00 0.00 176.83 176.58 1xck h VAL 56 N 0.42 0.44 -0.97 2.27 2.07 -1.40 -2.84 116.25 116.24 1xck h VAL 56 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 1xck h VAL 56 Cb 0.13 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 1xck h VAL 56 CO -0.01 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.15 1xck h ALA 57 N -0.29 1.58 -0.97 1.67 0.00 -1.09 -0.34 119.26 119.81 1xck h ALA 57 Ca -0.07 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 57 Cb 0.58 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1xck h ALA 57 CO 0.11 -0.05 0.62 -0.09 0.00 0.00 0.00 179.25 179.84 1xck h ARG 58 N 0.74 0.94 0.00 0.00 2.43 -1.11 -2.15 114.38 115.23 1xck h ARG 58 Ca 0.55 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1xck h ARG 58 Cb 0.83 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1xck h ARG 58 CO -0.38 0.62 0.00 0.93 -1.51 0.00 0.00 179.97 179.63 1xck h GLU 59 N 0.96 0.00 -6.26 0.20 4.39 -0.96 -3.46 114.58 109.46 1xck h GLU 59 Ca 0.47 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.61 1xck h GLU 59 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1xck h GLU 59 CO -0.23 0.00 0.85 0.42 -1.16 0.00 0.00 179.01 178.88 1xck s ILE 60 N -3.26 4.07 -0.24 3.13 -1.09 -0.81 -4.99 121.20 118.02 1xck s ILE 60 Ca 0.07 1.37 -0.10 0.00 -2.23 0.00 0.00 60.65 59.76 1xck s ILE 60 Cb 0.09 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 1xck s ILE 60 CO 0.58 -0.06 0.53 -0.70 -1.23 0.00 0.00 174.94 174.07 1xck s GLU 61 N 2.92 0.48 0.11 2.79 2.12 -1.26 -4.93 118.70 120.93 1xck s GLU 61 Ca 0.59 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 57.07 1xck s GLU 61 Cb -0.26 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1xck s GLU 61 CO 0.21 -0.20 0.29 -0.51 -0.54 0.00 0.00 175.26 174.50 1xck s LEU 62 N 2.35 4.31 0.10 2.70 1.43 -1.26 -5.03 118.68 123.28 1xck s LEU 62 Ca -0.06 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 1xck s LEU 62 Cb -0.10 -3.08 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 1xck s LEU 62 CO -0.16 0.10 1.45 -0.08 0.23 0.00 0.00 176.35 177.89 1xck h GLU 63 N 2.77 0.69 -6.26 1.70 4.81 -2.00 -3.42 114.58 112.87 1xck h GLU 63 Ca -0.46 -0.33 -0.56 0.00 -0.13 0.00 0.00 59.36 57.89 1xck h GLU 63 Cb 1.17 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1xck h GLU 63 CO 0.73 0.93 1.11 0.34 -0.73 0.00 0.00 179.01 181.39 1xck s ASP 64 N -6.45 6.51 0.29 1.04 -1.08 -1.26 -4.89 116.67 110.83 1xck s ASP 64 Ca -0.13 1.89 0.04 0.00 -0.52 0.00 0.00 52.55 53.83 1xck s ASP 64 Cb 0.09 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.71 1xck s ASP 64 CO 0.82 -1.10 1.74 0.11 0.52 0.00 0.00 175.17 177.25 1xck h LYS 65 N 10.18 0.57 -0.07 4.34 1.79 -1.94 0.22 116.57 131.66 1xck h LYS 65 Ca -0.36 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.05 1xck h LYS 65 Cb 1.16 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1xck h LYS 65 CO 0.98 0.37 -0.07 0.74 -1.08 0.00 0.00 179.45 180.39 1xck h PHE 66 N 0.58 0.21 -0.96 -1.35 0.04 -1.94 -2.12 116.94 111.40 1xck h PHE 66 Ca 0.55 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 61.29 1xck h PHE 66 Cb 0.92 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.97 1xck h PHE 66 CO -0.07 0.62 0.62 0.93 -0.60 0.00 0.00 178.31 179.81 1xck h GLU 67 N -0.27 1.16 -0.71 1.51 5.08 -1.56 -2.05 114.58 117.74 1xck h GLU 67 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1xck h GLU 67 Cb 0.59 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1xck h GLU 67 CO 0.02 0.76 0.40 -0.97 -1.00 0.00 0.00 179.01 178.22 1xck h ASN 68 N 1.19 0.88 -0.77 1.42 -1.24 -0.91 -1.79 115.58 114.36 1xck h ASN 68 Ca 0.39 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.32 1xck h ASN 68 Cb 0.04 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 1xck h ASN 68 CO -0.13 0.71 0.51 0.24 -1.29 0.00 0.00 177.43 177.47 1xck h MET 69 N 0.97 0.99 -0.01 6.67 2.86 -0.69 0.33 114.93 126.06 1xck h MET 69 Ca 0.25 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1xck h MET 69 Cb 0.02 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 1xck h MET 69 CO -0.04 0.66 0.01 0.78 1.06 0.00 0.00 176.91 179.37 1xck h GLY 70 N 1.02 0.02 0.92 8.32 0.00 -0.92 -0.33 103.07 112.11 1xck h GLY 70 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1xck h GLY 70 CO -0.07 0.01 0.11 0.00 0.00 0.00 0.00 176.54 176.59 1xck h ALA 71 N 0.88 0.29 -0.49 3.60 0.00 -0.68 -2.80 119.26 120.07 1xck h ALA 71 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 71 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 71 CO -0.00 -0.15 0.28 1.96 0.00 0.00 0.00 179.25 181.34 1xck h GLN 72 N 0.23 0.66 0.32 0.00 1.08 -0.25 -0.64 115.11 116.50 1xck h GLN 72 Ca 0.08 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1xck h GLN 72 Cb 0.12 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1xck h GLN 72 CO -0.01 0.47 -0.15 0.52 -0.95 0.00 0.00 178.83 178.71 1xck h MET 73 N 0.67 -0.41 -0.04 1.46 2.86 -0.79 -1.08 114.93 117.60 1xck h MET 73 Ca 0.18 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.70 1xck h MET 73 Cb -0.01 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1xck h MET 73 CO -0.03 -0.20 -0.61 -0.39 1.06 0.00 0.00 176.91 176.75 1xck h VAL 74 N -0.54 1.41 -0.83 -2.22 -1.51 -1.42 -2.78 116.25 108.36 1xck h VAL 74 Ca -0.04 -2.03 0.09 0.00 -1.23 0.00 0.00 66.70 63.49 1xck h VAL 74 Cb 0.40 2.05 -0.07 0.00 -2.13 0.00 0.00 31.29 31.55 1xck h VAL 74 CO 0.07 0.59 0.48 0.50 -1.23 0.00 0.00 177.57 177.98 1xck h LYS 75 N 0.10 0.80 0.68 5.19 3.64 -1.00 0.15 116.57 126.13 1xck h LYS 75 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1xck h LYS 75 Cb 1.10 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1xck h LYS 75 CO 0.09 0.53 -0.33 1.49 -2.27 0.00 0.00 179.45 178.96 1xck h GLU 76 N 0.83 -0.88 0.00 1.90 4.81 -0.92 -2.68 114.58 117.64 1xck h GLU 76 Ca 0.39 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 1xck h GLU 76 Cb 0.32 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1xck h GLU 76 CO -0.23 -0.57 -0.29 -0.39 -0.73 0.00 0.00 179.01 176.81 1xck h VAL 77 N -1.21 1.02 -0.55 0.32 -1.51 -1.44 -2.43 116.25 110.45 1xck h VAL 77 Ca -0.09 -1.05 -0.06 0.00 -1.23 0.00 0.00 66.70 64.27 1xck h VAL 77 Cb 0.71 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 1xck h VAL 77 CO 0.15 0.28 0.11 0.00 -1.23 0.00 0.00 177.57 176.88 1xck h ALA 78 N 1.71 1.16 -0.40 5.19 0.00 -0.71 -2.34 119.26 123.86 1xck h ALA 78 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xck h ALA 78 Cb 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xck h ALA 78 CO 0.04 0.57 -0.01 0.66 0.00 0.00 0.00 179.25 180.51 1xck h SER 79 N 0.82 0.61 -0.43 0.00 4.64 -1.08 -1.89 113.55 116.22 1xck h SER 79 Ca 0.18 -0.13 0.13 0.00 -0.47 0.00 0.00 61.79 61.49 1xck h SER 79 Cb 0.34 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1xck h SER 79 CO 0.00 0.69 0.36 0.11 -0.87 0.00 0.00 176.83 177.12 1xck h LYS 80 N 0.61 0.00 -0.18 4.77 1.57 -1.31 0.59 116.57 122.63 1xck h LYS 80 Ca 0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xck h LYS 80 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1xck h LYS 80 CO 0.02 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.87 1xck h ALA 81 N 1.69 0.24 -0.76 3.86 0.00 -1.34 -1.72 119.26 121.23 1xck h ALA 81 Ca 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 81 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xck h ALA 81 CO -0.00 -0.02 0.31 -0.97 0.00 0.00 0.00 179.25 178.57 1xck h ASN 82 N 0.06 1.02 -0.68 0.00 -1.24 -0.98 -1.28 115.58 112.49 1xck h ASN 82 Ca 0.05 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 1xck h ASN 82 Cb 0.43 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1xck h ASN 82 CO 0.01 0.90 0.27 0.44 -1.29 0.00 0.00 177.43 177.76 1xck h ASP 83 N 1.09 0.96 0.33 1.15 3.32 -1.09 0.71 116.42 122.89 1xck h ASP 83 Ca 0.26 -0.14 -0.28 0.00 0.02 0.00 0.00 57.03 56.88 1xck h ASP 83 Cb 0.19 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.51 1xck h ASP 83 CO -0.02 0.86 -1.20 0.00 -1.72 0.00 0.00 179.24 177.15 1xck h ALA 84 N 1.27 0.09 0.00 3.45 0.00 -0.92 -3.39 119.26 119.76 1xck h ALA 84 Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xck h ALA 84 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 84 CO -0.02 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1xck n ALA 85 N -2.61 2.05 -0.99 0.00 0.00 -0.52 -5.00 120.51 113.44 1xck n ALA 85 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1xck n ALA 85 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.04 0.42 3.62 0.00 0.00 0.25 -4.61 105.19 104.82 1xck n GLY 86 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1xck n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xck s ASP 87 N -2.07 -0.16 0.00 1.61 2.15 -1.24 -4.94 116.67 112.03 1xck s ASP 87 Ca 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1xck s ASP 87 Cb 0.00 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 1xck s ASP 87 CO 0.00 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 1xck n GLY 88 N -0.32 0.86 0.25 2.66 0.00 -1.26 -4.01 105.19 103.37 1xck n GLY 88 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 1.28 -0.32 2.61 2.02 -1.89 -0.02 112.91 116.59 1xck h THR 89 Ca 0.00 -1.32 -0.10 0.00 0.77 0.00 0.00 66.41 65.76 1xck h THR 89 Cb 0.00 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1xck h THR 89 CO 0.00 0.45 -0.20 0.74 0.37 0.00 0.00 175.52 176.87 1xck h THR 90 N 0.70 1.29 -0.14 3.16 2.02 -1.91 -2.04 112.91 115.99 1xck h THR 90 Ca 0.10 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 65.97 1xck h THR 90 Cb 0.74 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1xck h THR 90 CO 0.06 0.43 -0.01 0.74 0.37 0.00 0.00 175.52 177.11 1xck h THR 91 N 0.46 0.89 -0.88 3.16 2.02 -1.95 -1.06 112.91 115.56 1xck h THR 91 Ca 0.06 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.34 1xck h THR 91 Cb 0.75 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1xck h THR 91 CO 0.06 0.01 0.57 0.00 0.37 0.00 0.00 175.52 176.52 1xck h ALA 92 N 1.12 1.71 0.11 6.16 0.00 -0.91 0.04 119.26 127.49 1xck h ALA 92 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 92 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 92 CO -0.12 0.09 -0.05 1.15 0.00 0.00 0.00 179.25 180.32 1xck h THR 93 N 0.80 1.08 -0.12 0.00 2.02 -0.56 0.09 112.91 116.22 1xck h THR 93 Ca 0.42 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1xck h THR 93 Cb 0.51 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1xck h THR 93 CO -0.18 0.18 -0.16 -0.37 0.37 0.00 0.00 175.52 175.35 1xck h VAL 94 N -0.49 1.18 -0.19 3.16 -1.51 -0.75 -0.61 116.25 117.03 1xck h VAL 94 Ca -0.01 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.62 1xck h VAL 94 Cb 0.40 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1xck h VAL 94 CO 0.02 0.25 0.04 -0.07 -1.23 0.00 0.00 177.57 176.58 1xck h LEU 95 N 0.18 0.29 -0.83 4.19 3.38 -0.88 -1.70 115.31 119.93 1xck h LEU 95 Ca 0.03 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1xck h LEU 95 Cb 0.40 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1xck h LEU 95 CO 0.03 0.47 0.54 0.00 0.09 0.00 0.00 178.44 179.56 1xck h ALA 96 N 0.84 1.09 -0.33 1.53 0.00 -0.29 -0.83 119.26 121.27 1xck h ALA 96 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 96 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 96 CO 0.00 0.38 0.21 0.37 0.00 0.00 0.00 179.25 180.20 1xck h GLN 97 N 1.05 0.41 -0.06 0.00 4.15 -0.89 0.11 115.11 119.88 1xck h GLN 97 Ca 0.33 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1xck h GLN 97 Cb -0.01 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1xck h GLN 97 CO -0.11 0.27 0.04 0.00 -1.93 0.00 0.00 178.83 177.10 1xck h ALA 98 N 1.14 0.07 -0.01 3.38 0.00 -0.70 -0.29 119.26 122.85 1xck h ALA 98 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 98 Cb -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xck h ALA 98 CO -0.05 -0.43 0.00 0.82 0.00 0.00 0.00 179.25 179.59 1xck h ILE 99 N 0.08 1.13 -0.76 0.00 2.04 -0.95 -2.65 117.51 116.39 1xck h ILE 99 Ca 0.02 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1xck h ILE 99 Cb -0.01 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1xck h ILE 99 CO -0.01 0.10 0.47 0.40 0.00 0.00 0.00 178.15 179.11 1xck h ILE 100 N -0.14 1.07 0.64 -0.67 2.04 -0.66 0.12 117.51 119.91 1xck h ILE 100 Ca 0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xck h ILE 100 Cb 0.16 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1xck h ILE 100 CO -0.00 0.16 -0.31 0.74 0.00 0.00 0.00 178.15 178.74 1xck h THR 101 N 0.89 0.31 -0.43 -0.27 2.02 -0.98 -0.68 112.91 113.77 1xck h THR 101 Ca 0.32 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 1xck h THR 101 Cb 0.08 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1xck h THR 101 CO -0.14 0.02 0.03 -0.33 0.37 0.00 0.00 175.52 175.47 1xck h GLU 102 N -0.98 0.69 -0.33 6.66 4.39 -1.42 -2.29 114.58 121.30 1xck h GLU 102 Ca -0.09 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1xck h GLU 102 Cb 0.70 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1xck h GLU 102 CO 0.15 0.68 0.18 0.78 -1.16 0.00 0.00 179.01 179.64 1xck h GLY 103 N 0.92 0.49 1.84 -3.84 0.00 -0.69 -1.88 103.07 99.90 1xck h GLY 103 Ca 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1xck h GLY 103 CO 0.01 0.21 -0.22 1.41 0.00 0.00 0.00 176.54 177.95 1xck h LEU 104 N 0.41 0.19 -0.03 3.11 3.38 -0.95 -0.63 115.31 120.80 1xck h LEU 104 Ca 0.12 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xck h LEU 104 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1xck h LEU 104 CO -0.02 0.43 -0.01 0.11 0.09 0.00 0.00 178.44 179.04 1xck h LYS 105 N 0.18 -0.01 -0.51 1.13 1.57 -0.98 -0.18 116.57 117.78 1xck h LYS 105 Ca 0.03 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1xck h LYS 105 Cb 0.50 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1xck h LYS 105 CO 0.03 -0.01 0.29 0.00 -0.57 0.00 0.00 179.45 179.20 1xck h ALA 106 N 1.02 0.65 -0.77 3.86 0.00 -0.63 0.07 119.26 123.46 1xck h ALA 106 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 106 Cb 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 106 CO -0.03 -0.02 0.49 0.28 0.00 0.00 0.00 179.25 179.97 1xck h VAL 107 N 0.58 1.13 -0.23 0.00 2.07 -0.72 -1.22 116.25 117.86 1xck h VAL 107 Ca 0.21 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1xck h VAL 107 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1xck h VAL 107 CO -0.11 0.18 -0.18 0.00 0.02 0.00 0.00 177.57 177.48 1xck h ALA 108 N 1.32 1.26 0.00 1.67 0.00 -0.40 -0.11 119.26 123.00 1xck h ALA 108 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 108 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 108 CO -0.10 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1xck n ALA 109 N -2.48 2.18 -0.52 0.00 0.00 -0.05 -4.83 120.51 114.80 1xck n ALA 109 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xck n ALA 109 Cb 0.34 -1.28 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 0.15 0.73 3.84 0.00 0.00 -0.06 -5.06 105.19 104.79 1xck n GLY 110 Ca 0.13 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.57 3.97 -0.12 1.61 1.00 -0.64 -4.98 119.30 119.57 1xck s MET 111 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 55.69 56.33 1xck s MET 111 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 34.83 32.63 1xck s MET 111 CO 0.00 -0.23 1.50 1.21 0.00 0.00 0.00 175.02 177.50 1xck s ASN 112 N -2.98 6.75 0.17 3.03 3.84 -1.26 -4.42 114.94 120.07 1xck s ASN 112 Ca 0.59 1.95 -0.16 0.00 0.21 0.00 0.00 52.86 55.45 1xck s ASN 112 Cb -0.10 -2.54 0.11 0.00 -0.55 0.00 0.00 41.25 38.17 1xck s ASN 112 CO 0.29 -0.90 1.68 -0.65 -2.79 0.00 0.00 177.10 174.74 1xck h PRO 113 N 9.13 0.04 -0.80 0.43 0.11 -1.94 -0.67 132.00 138.30 1xck h PRO 113 Ca -0.34 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1xck h PRO 113 Cb 1.15 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1xck h PRO 113 CO 0.97 0.02 0.47 0.52 -0.21 0.00 0.00 178.00 179.77 1xck h MET 114 N 0.04 1.09 -0.34 1.05 2.86 -1.92 -1.18 114.93 116.53 1xck h MET 114 Ca 0.20 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1xck h MET 114 Cb 0.30 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1xck h MET 114 CO -0.39 0.77 -0.45 -0.44 1.06 0.00 0.00 176.91 177.46 1xck h ASP 115 N 1.11 0.97 -0.95 1.22 3.32 -1.77 -1.57 116.42 118.75 1xck h ASP 115 Ca 0.29 -0.47 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1xck h ASP 115 Cb -0.03 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 1xck h ASP 115 CO -0.05 1.27 0.63 -0.07 -1.72 0.00 0.00 179.24 179.30 1xck h LEU 116 N 0.71 1.07 -0.13 1.55 3.38 -0.74 -0.18 115.31 120.97 1xck h LEU 116 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xck h LEU 116 Cb 1.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xck h LEU 116 CO 0.11 0.76 0.03 0.50 0.09 0.00 0.00 178.44 179.92 1xck h LYS 117 N 1.25 0.21 -0.95 1.13 3.64 -1.04 -1.28 116.57 119.53 1xck h LYS 117 Ca 0.36 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1xck h LYS 117 Cb -0.08 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1xck h LYS 117 CO -0.10 0.38 0.62 -0.09 -2.27 0.00 0.00 179.45 178.00 1xck h ARG 118 N -0.00 1.17 -0.57 1.90 2.43 -0.75 0.11 114.38 118.66 1xck h ARG 118 Ca 0.04 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1xck h ARG 118 Cb 0.27 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xck h ARG 118 CO 0.00 0.77 -0.03 0.78 -1.51 0.00 0.00 179.97 179.98 1xck h GLY 119 N 1.20 1.11 0.92 2.80 0.00 -0.88 -0.78 103.07 107.44 1xck h GLY 119 Ca 0.37 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1xck h GLY 119 CO -0.11 0.78 0.12 -2.22 0.00 0.00 0.00 176.54 175.11 1xck h ILE 120 N 0.92 1.18 -0.51 2.60 2.04 -0.44 -1.72 117.51 121.59 1xck h ILE 120 Ca 0.16 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1xck h ILE 120 Cb 0.59 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1xck h ILE 120 CO 0.04 0.20 0.32 0.44 0.00 0.00 0.00 178.15 179.14 1xck h ASP 121 N 0.36 0.61 -0.19 1.72 3.32 -0.65 -0.88 116.42 120.71 1xck h ASP 121 Ca 0.10 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1xck h ASP 121 Cb 0.19 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 121 CO -0.01 0.47 0.01 0.50 -1.72 0.00 0.00 179.24 178.50 1xck h LYS 122 N 0.69 0.08 -0.80 3.56 3.64 -0.96 0.70 116.57 123.47 1xck h LYS 122 Ca 0.18 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1xck h LYS 122 Cb -0.03 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1xck h LYS 122 CO -0.04 0.05 0.48 0.00 -2.27 0.00 0.00 179.45 177.68 1xck h ALA 123 N 1.15 1.10 -0.18 5.00 0.00 -0.95 -0.64 119.26 124.73 1xck h ALA 123 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 123 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xck h ALA 123 CO -0.14 0.20 0.01 0.28 0.00 0.00 0.00 179.25 179.60 1xck h VAL 124 N 0.88 1.25 -0.22 0.00 2.07 -0.51 0.12 116.25 119.84 1xck h VAL 124 Ca 0.35 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1xck h VAL 124 Cb 0.19 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1xck h VAL 124 CO -0.18 0.25 -0.09 0.74 0.02 0.00 0.00 177.57 178.31 1xck h THR 125 N 0.08 0.70 -0.79 2.57 2.02 -0.38 0.15 112.91 117.26 1xck h THR 125 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xck h THR 125 Cb 0.37 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1xck h THR 125 CO 0.01 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.39 1xck h ALA 126 N 1.14 1.39 -0.58 6.16 0.00 -1.04 -2.37 119.26 123.97 1xck h ALA 126 Ca 0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 126 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 126 CO -0.26 0.54 0.03 0.00 0.00 0.00 0.00 179.25 179.56 1xck h ALA 127 N 1.47 0.96 -0.44 0.00 0.00 0.73 -1.73 119.26 120.25 1xck h ALA 127 Ca 0.29 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 127 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1xck h ALA 127 CO -0.06 0.63 -0.03 0.28 0.00 0.00 0.00 179.25 180.08 1xck h VAL 128 N 0.90 1.24 -0.07 0.00 2.07 -0.27 0.35 116.25 120.48 1xck h VAL 128 Ca 0.17 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1xck h VAL 128 Cb 0.49 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1xck h VAL 128 CO 0.02 0.35 -0.03 -0.33 0.02 0.00 0.00 177.57 177.61 1xck h GLU 129 N 0.68 0.14 -0.37 1.57 4.39 -1.18 -2.15 114.58 117.66 1xck h GLU 129 Ca 0.13 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.88 1xck h GLU 129 Cb 0.46 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1xck h GLU 129 CO 0.02 0.49 0.28 1.49 -1.16 0.00 0.00 179.01 180.14 1xck h GLU 130 N -0.23 0.00 -0.07 2.33 4.57 -1.06 -0.45 114.58 119.68 1xck h GLU 130 Ca 0.02 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 1xck h GLU 130 Cb 0.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1xck h GLU 130 CO 0.01 0.00 -0.75 1.25 -1.18 0.00 0.00 179.01 178.34 1xck h LEU 131 N 0.00 0.46 -0.62 1.64 5.85 -0.49 -2.22 115.31 119.93 1xck h LEU 131 Ca 0.18 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1xck h LEU 131 Cb 0.74 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1xck h LEU 131 CO -0.00 1.06 -0.43 0.11 -0.34 0.00 0.00 178.44 178.83 1xck h LYS 132 N 0.26 0.59 -0.56 1.25 1.57 -0.46 -2.03 116.57 117.18 1xck h LYS 132 Ca -0.03 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1xck h LYS 132 Cb 1.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1xck h LYS 132 CO 0.13 0.91 -0.06 0.00 -0.57 0.00 0.00 179.45 179.86 1xck h ALA 133 N 1.05 0.84 0.00 3.86 0.00 -1.34 -2.74 119.26 120.93 1xck h ALA 133 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1xck h ALA 133 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xck h ALA 133 CO 0.08 0.66 -0.40 1.25 0.00 0.00 0.00 179.25 180.84 1xck h LEU 134 N 0.91 0.00 -9.92 0.00 7.12 -1.24 -3.45 115.31 108.73 1xck h LEU 134 Ca 0.15 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.61 1xck h LEU 134 Cb 0.61 0.00 0.12 0.00 -0.53 0.00 0.00 40.66 40.86 1xck h LEU 134 CO 0.04 0.40 0.64 -0.24 -0.13 0.00 0.00 178.44 179.16 1xck n SER 135 N -3.71 3.17 -4.43 1.25 2.88 -0.78 -4.85 113.62 107.15 1xck n SER 135 Ca -0.01 1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 58.35 1xck n SER 135 Cb 0.49 -1.57 -0.14 0.00 -0.75 0.00 0.00 64.21 62.24 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 -1.17 3.21 0.68 2.46 1.01 0.62 -4.91 120.40 122.30 1xck s VAL 136 Ca 0.59 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1xck s VAL 136 Cb -0.48 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1xck s VAL 136 CO 0.59 0.54 1.15 -2.84 0.00 0.00 0.00 175.10 174.54 1xck s PRO 137 N -0.01 2.57 -0.40 2.72 0.02 -1.26 -0.40 135.00 138.24 1xck s PRO 137 Ca -0.03 1.54 0.02 0.00 0.02 0.00 0.00 61.00 62.55 1xck s PRO 137 Cb -0.14 -1.91 0.15 0.00 0.02 0.00 0.00 34.50 32.62 1xck s PRO 137 CO 0.04 -1.45 0.27 0.00 -0.33 0.00 0.00 177.00 175.52 1xck n SER 139 N 3.47 1.07 -4.73 0.00 7.64 -1.26 -4.19 113.62 115.62 1xck n SER 139 Ca 0.17 0.14 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 1xck n SER 139 Cb 0.40 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1xck n SER 139 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xck n ASP 140 N -3.54 2.85 0.13 6.43 5.75 -1.26 -4.74 116.55 122.17 1xck n ASP 140 Ca -0.02 1.10 0.09 0.00 -0.01 0.00 0.00 54.79 55.95 1xck n ASP 140 Cb 0.11 -1.55 0.47 0.00 -1.03 0.00 0.00 41.12 39.13 1xck n ASP 140 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xck n SER 141 N -0.06 0.45 -0.13 -1.12 3.41 -1.26 -0.94 113.62 113.96 1xck n SER 141 Ca 0.06 0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1xck n SER 141 Cb 0.41 -0.77 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.94 -0.12 4.33 3.64 -2.00 -1.61 116.57 121.75 1xck h LYS 142 Ca 0.00 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 1xck h LYS 142 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1xck h LYS 142 CO 0.00 1.10 -0.21 0.00 -2.27 0.00 0.00 179.45 178.07 1xck h ALA 143 N 0.87 0.19 -0.97 5.00 0.00 -1.39 -2.70 119.26 120.27 1xck h ALA 143 Ca 0.09 -0.37 0.17 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 143 Cb 0.86 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1xck h ALA 143 CO 0.08 0.14 0.57 0.82 0.00 0.00 0.00 179.25 180.86 1xck h ILE 144 N -0.05 0.74 -0.27 0.00 2.04 -1.33 -0.24 117.51 118.40 1xck h ILE 144 Ca 0.01 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1xck h ILE 144 Cb 0.79 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1xck h ILE 144 CO 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 178.15 178.27 1xck h ALA 145 N 1.61 0.36 -0.59 1.87 0.00 -1.22 -1.80 119.26 119.49 1xck h ALA 145 Ca 0.54 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 145 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1xck h ALA 145 CO -0.37 0.17 0.36 1.96 0.00 0.00 0.00 179.25 181.37 1xck h GLN 146 N 0.26 0.80 0.14 0.00 4.20 -0.85 0.14 115.11 119.81 1xck h GLN 146 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1xck h GLN 146 Cb 0.54 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1xck h GLN 146 CO 0.03 0.58 -0.07 0.28 -0.67 0.00 0.00 178.83 178.98 1xck h VAL 147 N 0.80 0.93 -0.81 -0.54 2.07 -1.09 -0.59 116.25 117.01 1xck h VAL 147 Ca 0.21 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1xck h VAL 147 Cb -0.02 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1xck h VAL 147 CO -0.04 0.07 0.53 1.23 0.02 0.00 0.00 177.57 179.37 1xck h GLY 148 N -0.31 1.11 0.96 2.17 0.00 -1.07 -0.26 103.07 105.67 1xck h GLY 148 Ca -0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1xck h GLY 148 CO 0.03 0.23 -0.14 -0.84 0.00 0.00 0.00 176.54 175.82 1xck h THR 149 N 0.83 1.28 -0.65 4.70 2.02 -0.41 -0.15 112.91 120.54 1xck h THR 149 Ca 0.36 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 1xck h THR 149 Cb 0.31 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1xck h THR 149 CO -0.13 0.41 0.11 0.40 0.37 0.00 0.00 175.52 176.68 1xck h ILE 150 N 0.51 1.26 0.00 3.11 2.04 -0.42 0.53 117.51 124.54 1xck h ILE 150 Ca 0.08 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 1xck h ILE 150 Cb 0.67 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1xck h ILE 150 CO 0.05 0.38 -0.52 0.28 0.00 0.00 0.00 178.15 178.34 1xck h SER 151 N 0.98 0.00 -0.10 1.72 0.02 -0.99 -2.47 113.55 112.71 1xck h SER 151 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1xck h SER 151 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xck h SER 151 CO 0.01 0.52 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 1xck n ALA 152 N -2.41 2.53 -2.76 3.77 0.00 -0.08 -4.49 120.51 117.07 1xck n ALA 152 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 1xck n ALA 152 Cb 0.54 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.12 -2.99 -0.84 0.00 5.15 -0.93 -3.65 115.26 111.88 1xck n ASN 153 Ca 0.04 -0.21 -0.09 0.00 -0.60 0.00 0.00 54.58 53.71 1xck n ASN 153 Cb 0.15 -2.20 -0.02 0.00 -0.53 0.00 0.00 39.78 37.17 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -0.83 -3.67 -4.39 1.20 7.64 0.18 -4.99 113.62 108.76 1xck n SER 154 Ca -0.04 0.12 -0.44 0.00 1.01 0.00 0.00 58.87 59.52 1xck n SER 154 Cb 0.54 -2.40 -0.04 0.00 -1.01 0.00 0.00 64.21 61.30 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 -2.77 6.24 0.48 6.43 -1.08 -1.08 -4.90 116.67 119.99 1xck s ASP 155 Ca 0.00 -1.46 0.19 0.00 -0.52 0.00 0.00 52.55 50.76 1xck s ASP 155 Cb 0.00 -2.32 1.21 0.00 -1.46 0.00 0.00 42.92 40.35 1xck s ASP 155 CO 0.00 -1.14 1.99 -0.33 0.52 0.00 0.00 175.17 176.21 1xck h GLU 156 N 9.16 0.20 -0.47 4.34 5.08 -1.94 -1.84 114.58 129.10 1xck h GLU 156 Ca -0.24 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1xck h GLU 156 Cb 1.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1xck h GLU 156 CO 1.10 0.13 0.22 1.15 -1.00 0.00 0.00 179.01 180.61 1xck h THR 157 N 0.20 0.93 -0.67 1.13 2.02 -1.97 0.34 112.91 114.88 1xck h THR 157 Ca 0.26 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 1xck h THR 157 Cb 0.75 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1xck h THR 157 CO -0.05 0.08 0.11 0.58 0.37 0.00 0.00 175.52 176.61 1xck h VAL 158 N 0.43 1.26 -0.17 3.16 2.07 -1.69 0.10 116.25 121.42 1xck h VAL 158 Ca 0.21 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xck h VAL 158 Cb 0.15 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1xck h VAL 158 CO -0.17 0.39 0.11 1.23 0.02 0.00 0.00 177.57 179.15 1xck h GLY 159 N 1.03 0.24 0.71 2.17 0.00 -1.20 -0.63 103.07 105.39 1xck h GLY 159 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1xck h GLY 159 CO 0.01 0.09 -0.25 1.70 0.00 0.00 0.00 176.54 178.10 1xck h LYS 160 N 0.22 -0.51 -0.44 4.80 3.64 -0.65 -0.26 116.57 123.37 1xck h LYS 160 Ca 0.06 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1xck h LYS 160 Cb -0.00 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 1xck h LYS 160 CO -0.01 -0.34 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.40 1xck h LEU 161 N -0.53 -1.19 -0.77 5.20 3.38 -0.53 0.16 115.31 121.03 1xck h LEU 161 Ca -0.00 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1xck h LEU 161 Cb 0.49 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1xck h LEU 161 CO -0.06 -0.33 0.42 0.40 0.09 0.00 0.00 178.44 178.96 1xck h ILE 162 N -0.26 1.23 -0.35 1.22 2.04 -0.95 -0.83 117.51 119.61 1xck h ILE 162 Ca 0.17 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1xck h ILE 162 Cb 0.55 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1xck h ILE 162 CO -0.58 0.26 0.18 0.00 0.00 0.00 0.00 178.15 178.01 1xck h ALA 163 N 1.22 0.45 -0.63 1.87 0.00 0.05 -0.41 119.26 121.81 1xck h ALA 163 Ca 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 163 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 163 CO -0.04 -0.01 0.22 0.93 0.00 0.00 0.00 179.25 180.35 1xck h GLU 164 N 0.43 0.95 -0.72 0.00 5.08 -0.49 -1.45 114.58 118.40 1xck h GLU 164 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1xck h GLU 164 Cb 0.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1xck h GLU 164 CO -0.02 0.83 0.23 0.00 -1.00 0.00 0.00 179.01 179.05 1xck h ALA 165 N 1.08 0.94 0.00 3.43 0.00 -0.86 -1.83 119.26 122.02 1xck h ALA 165 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 165 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xck h ALA 165 CO -0.01 0.61 -0.45 0.52 0.00 0.00 0.00 179.25 179.93 1xck h MET 166 N 1.05 0.00 -0.36 0.00 2.86 -0.88 -2.64 114.93 114.95 1xck h MET 166 Ca 0.23 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1xck h MET 166 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1xck h MET 166 CO -0.01 0.45 -0.27 0.22 1.06 0.00 0.00 176.91 178.36 1xck h ASP 167 N 0.00 0.77 0.19 1.22 3.58 -0.69 0.41 116.42 121.91 1xck h ASP 167 Ca -0.00 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 1xck h ASP 167 Cb 0.88 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1xck h ASP 167 CO 0.06 1.00 -0.09 0.11 -2.88 0.00 0.00 179.24 177.44 1xck h LYS 168 N 0.65 -0.25 -0.01 0.28 1.79 -1.01 -3.34 116.57 114.67 1xck h LYS 168 Ca 0.08 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1xck h LYS 168 Cb 0.78 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1xck h LYS 168 CO 0.06 0.04 -0.60 1.33 -1.08 0.00 0.00 179.45 179.21 1xck n VAL 169 N -5.08 0.00 0.00 0.50 0.24 -1.05 -5.10 118.33 107.85 1xck n VAL 169 Ca -0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1xck n VAL 169 Cb 0.22 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 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 1.44 0.07 0.35 7.63 0.00 0.14 -3.19 105.19 111.63 1xck n GLY 170 Ca 0.08 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1xck n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck h LYS 171 N 0.00 0.91 -0.01 1.61 1.79 -1.95 -1.89 116.57 117.03 1xck h LYS 171 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1xck h LYS 171 Cb 0.00 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.44 1xck h LYS 171 CO 0.00 0.60 -0.00 0.39 -1.08 0.00 0.00 179.45 179.36 1xck n GLU 172 N -4.45 1.64 -0.93 3.15 -0.58 -1.26 -4.97 120.64 113.24 1xck n GLU 172 Ca 0.10 -0.94 -0.29 0.00 -0.42 0.00 0.00 57.16 55.61 1xck n GLU 172 Cb 0.12 -1.48 0.19 0.00 -0.57 0.00 0.00 31.44 29.70 1xck n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 173 N -2.01 1.58 -0.30 0.62 0.00 -0.71 -5.01 107.32 101.49 1xck s GLY 173 Ca 0.38 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 1xck s GLY 173 CO 0.34 0.46 0.21 0.14 0.00 0.00 0.00 173.10 174.25 1xck s VAL 174 N -2.76 5.30 -0.08 1.40 1.01 -1.26 -4.97 120.40 119.04 1xck s VAL 174 Ca 0.66 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1xck s VAL 174 Cb -0.21 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1xck s VAL 174 CO 0.60 0.18 -0.12 -0.63 0.00 0.00 0.00 175.10 175.13 1xck s ILE 175 N 1.76 3.26 0.17 2.22 1.01 -1.26 -0.52 121.20 127.82 1xck s ILE 175 Ca 0.07 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1xck s ILE 175 Cb -0.16 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1xck s ILE 175 CO 0.11 0.57 -0.21 -0.89 0.00 0.00 0.00 174.94 174.52 1xck s THR 176 N -0.40 1.98 -0.06 2.92 2.01 0.14 -4.95 115.64 117.27 1xck s THR 176 Ca 0.05 -1.90 0.03 0.00 0.31 0.00 0.00 61.69 60.17 1xck s THR 176 Cb -0.12 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.50 1xck s THR 176 CO 0.02 -0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.91 1xck s VAL 177 N -1.80 1.19 0.12 3.82 1.01 -1.26 -0.54 120.40 122.94 1xck s VAL 177 Ca 0.16 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xck s VAL 177 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1xck s VAL 177 CO 0.07 0.36 0.02 -1.61 0.00 0.00 0.00 175.10 173.94 1xck s GLU 178 N 0.46 0.91 0.59 2.72 2.02 -0.12 -4.96 118.70 120.32 1xck s GLU 178 Ca -0.11 -1.41 -0.20 0.00 0.02 0.00 0.00 54.97 53.27 1xck s GLU 178 Cb -0.14 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 1xck s GLU 178 CO 0.03 -0.18 1.28 -0.25 0.02 0.00 0.00 175.26 176.15 1xck n ASP 179 N -0.09 2.16 -4.90 -0.19 8.00 -1.26 -1.84 116.55 118.44 1xck n ASP 179 Ca -0.08 0.90 -0.28 0.00 0.71 0.00 0.00 54.79 56.03 1xck n ASP 179 Cb 0.63 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.14 1.59 0.39 0.44 0.00 -0.29 -4.44 107.32 103.87 1xck s GLY 180 Ca 0.77 -0.38 0.21 0.00 0.00 0.00 0.00 44.72 45.31 1xck s GLY 180 CO 0.45 -0.20 1.57 -0.91 0.00 0.00 0.00 173.10 174.01 1xck h THR 181 N 0.25 0.27 0.00 0.90 1.35 -1.88 -3.48 112.91 110.32 1xck h THR 181 Ca -0.46 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1xck h THR 181 Cb 1.20 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1xck h THR 181 CO 0.62 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1xck n GLY 182 N 1.11 1.27 3.77 5.82 0.00 -1.26 -5.12 105.19 110.78 1xck n GLY 182 Ca 0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1xck n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xck s LEU 183 N 0.00 4.36 0.00 0.99 1.98 -1.20 -2.49 118.68 122.33 1xck s LEU 183 Ca 0.00 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.22 1xck s LEU 183 Cb 0.00 -3.94 0.00 0.00 0.66 0.00 0.00 46.19 42.91 1xck s LEU 183 CO 0.00 -0.16 0.00 0.00 -1.89 0.00 0.00 176.35 174.30 1xck n GLN 184 N 0.62 0.00 -0.79 1.98 6.02 -1.26 -4.78 117.38 119.17 1xck n GLN 184 Ca 0.02 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.93 1xck n GLN 184 Cb 0.49 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.98 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 -0.01 1.24 -0.13 1.08 1.01 -1.26 -4.21 116.67 114.39 1xck s ASP 185 Ca 0.00 1.24 -0.12 0.00 0.71 0.00 0.00 52.55 54.38 1xck s ASP 185 Cb 0.00 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 42.05 1xck s ASP 185 CO 0.00 -4.00 0.34 -1.61 0.21 0.00 0.00 175.17 170.11 1xck s GLU 186 N -4.76 0.39 -0.02 8.23 2.02 -0.29 -4.89 118.70 119.38 1xck s GLU 186 Ca 0.68 0.47 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1xck s GLU 186 Cb -0.21 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1xck s GLU 186 CO 0.61 -0.05 -0.07 -1.17 0.02 0.00 0.00 175.26 174.60 1xck s LEU 187 N 0.21 1.85 -0.29 1.80 2.96 -1.26 -0.32 118.68 123.63 1xck s LEU 187 Ca -0.00 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 1xck s LEU 187 Cb -0.03 -0.41 0.14 0.00 0.50 0.00 0.00 46.19 46.39 1xck s LEU 187 CO 0.00 0.06 1.06 1.51 -1.32 0.00 0.00 176.35 177.67 1xck s ASP 188 N 0.08 -0.41 -0.14 3.68 -4.77 -1.08 -4.98 116.67 109.05 1xck s ASP 188 Ca -0.01 0.73 -0.23 0.00 -3.30 0.00 0.00 52.55 49.74 1xck s ASP 188 Cb -0.06 0.93 -0.03 0.00 -1.09 0.00 0.00 42.92 42.68 1xck s ASP 188 CO -0.00 -0.12 0.72 -0.69 0.70 0.00 0.00 175.17 175.78 1xck s VAL 189 N 0.69 4.98 0.44 2.11 1.01 -1.26 -1.44 120.40 126.94 1xck s VAL 189 Ca -0.02 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.44 1xck s VAL 189 Cb -0.04 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1xck s VAL 189 CO -0.11 0.14 0.02 0.68 0.00 0.00 0.00 175.10 175.82 1xck s VAL 190 N 1.56 1.55 0.17 2.92 -7.23 -0.26 -4.90 120.40 114.21 1xck s VAL 190 Ca 0.35 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 1xck s VAL 190 Cb -0.17 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 1xck s VAL 190 CO 0.14 0.00 1.48 -1.61 -0.31 0.00 0.00 175.10 174.80 1xck s GLU 191 N -3.79 4.26 0.00 4.82 0.41 -1.26 -0.94 118.70 122.20 1xck s GLU 191 Ca 0.23 2.26 0.00 0.00 -0.41 0.00 0.00 54.97 57.05 1xck s GLU 191 Cb 0.06 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1xck s GLU 191 CO 0.12 -0.51 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 1xck n GLY 192 N 3.37 0.23 3.64 -1.39 0.00 -1.26 -0.26 105.19 109.52 1xck n GLY 192 Ca 0.12 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1xck n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xck s MET 193 N -2.00 1.55 -0.13 1.61 1.75 -0.60 -3.87 119.30 117.61 1xck s MET 193 Ca 0.00 -0.94 -0.06 0.00 -1.25 0.00 0.00 55.69 53.43 1xck s MET 193 Cb 0.00 0.55 0.05 0.00 2.84 0.00 0.00 34.83 38.27 1xck s MET 193 CO 0.00 -0.68 0.30 -1.14 -0.65 0.00 0.00 175.02 172.85 1xck s GLN 194 N -3.90 0.25 0.25 4.11 0.74 -1.26 -0.37 119.66 119.47 1xck s GLN 194 Ca 0.11 0.63 0.10 0.00 0.05 0.00 0.00 55.36 56.25 1xck s GLN 194 Cb -0.03 -0.08 -0.05 0.00 1.10 0.00 0.00 33.01 33.96 1xck s GLN 194 CO 0.02 -0.17 -0.17 -0.59 -0.55 0.00 0.00 175.29 173.82 1xck s PHE 195 N 1.43 2.03 -1.27 1.67 -0.71 -0.06 -4.99 117.98 116.07 1xck s PHE 195 Ca -0.08 -0.44 -0.15 0.00 -1.04 0.00 0.00 56.93 55.21 1xck s PHE 195 Cb -0.10 -0.91 0.12 0.00 -1.21 0.00 0.00 43.02 40.92 1xck s PHE 195 CO -0.10 0.55 1.65 -0.25 -1.34 0.00 0.00 175.22 175.73 1xck n ASP 196 N -0.51 5.01 -3.71 1.98 8.00 -1.26 -1.65 116.55 124.40 1xck n ASP 196 Ca -0.06 -2.95 -0.12 0.00 0.71 0.00 0.00 54.79 52.36 1xck n ASP 196 Cb 0.60 -1.65 -0.10 0.00 -0.02 0.00 0.00 41.12 39.95 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 2.81 0.50 0.35 -1.24 1.81 -1.07 -4.88 118.95 117.25 1xck s ARG 197 Ca 0.48 0.68 0.03 0.00 -1.72 0.00 0.00 55.73 55.21 1xck s ARG 197 Cb 0.02 0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1xck s ARG 197 CO 0.03 -0.09 0.27 0.41 -0.68 0.00 0.00 175.30 175.25 1xck n GLY 198 N 3.19 2.82 3.75 -3.53 0.00 -1.24 -1.09 105.19 109.08 1xck n GLY 198 Ca -0.16 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.35 2.62 1.80 1.61 0.18 -0.47 -4.45 117.16 117.10 1xck n TYR 199 Ca -0.01 0.45 0.00 0.00 1.88 0.00 0.00 57.90 60.22 1xck n TYR 199 Cb 0.40 -2.45 0.00 0.00 -0.38 0.00 0.00 39.34 36.91 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 -0.07 0.06 0.00 -3.48 4.77 -0.29 -4.77 117.00 113.22 1xck n LEU 200 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1xck n LEU 200 Cb 0.41 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1xck n LEU 200 CO 0.60 0.02 0.00 -0.24 -1.33 0.00 0.00 177.39 176.43 1xck n SER 201 N -0.46 0.00 -3.72 -1.43 2.88 -1.26 -5.08 113.62 104.54 1xck n SER 201 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xck n SER 201 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1xck n SER 201 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xck n PRO 202 N -0.41 1.78 0.00 -1.46 -0.02 -1.26 -3.62 135.00 130.01 1xck n PRO 202 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xck n PRO 202 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xck n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xck n TYR 203 N -0.28 0.00 0.23 6.00 4.01 -1.26 -4.40 117.16 121.46 1xck n TYR 203 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1xck n TYR 203 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 1xck n TYR 203 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xck n PHE 204 N 0.00 0.60 -2.02 -0.72 3.72 -1.24 -4.62 117.46 113.19 1xck n PHE 204 Ca 0.00 0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 57.26 1xck n PHE 204 Cb 0.00 -0.96 -0.03 0.00 -0.94 0.00 0.00 39.48 37.55 1xck n PHE 204 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1xck s ILE 205 N -3.37 3.24 0.00 4.37 1.01 -1.26 -4.63 121.20 120.55 1xck s ILE 205 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1xck s ILE 205 Cb 0.06 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1xck s ILE 205 CO 0.23 -0.00 0.62 -0.46 0.00 0.00 0.00 174.94 175.33 1xck n ASN 206 N 5.46 1.21 -3.28 3.58 0.23 -1.10 -4.75 115.26 116.61 1xck n ASN 206 Ca 0.15 -1.28 -0.25 0.00 -0.53 0.00 0.00 54.58 52.67 1xck n ASN 206 Cb 0.41 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.04 1xck n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xck n LYS 207 N -0.14 1.54 -0.03 -3.83 4.76 -0.92 -4.95 118.16 114.58 1xck n LYS 207 Ca 0.00 -3.87 0.24 0.00 -2.87 0.00 0.00 58.31 51.81 1xck n LYS 207 Cb 0.09 -1.69 0.69 0.00 -1.84 0.00 0.00 35.03 32.29 1xck n LYS 207 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1xck h PRO 208 N 4.03 0.00 -0.30 1.97 0.13 -1.85 0.60 132.00 136.57 1xck h PRO 208 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1xck h PRO 208 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1xck h PRO 208 CO 0.63 0.00 -0.21 0.93 -0.23 0.00 0.00 178.00 179.11 1xck h GLU 209 N 0.00 0.68 0.00 0.86 3.07 -1.94 -2.96 114.58 114.28 1xck h GLU 209 Ca 0.31 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xck h GLU 209 Cb 1.59 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1xck h GLU 209 CO -0.00 0.93 -0.71 2.41 -1.40 0.00 0.00 179.01 180.23 1xck n THR 210 N -4.32 0.20 -2.70 1.13 -1.04 -0.20 -4.94 114.28 102.41 1xck n THR 210 Ca -0.03 -0.19 -0.20 0.00 -2.04 0.00 0.00 64.05 61.59 1xck n THR 210 Cb 0.42 0.09 0.01 0.00 -1.82 0.00 0.00 70.33 69.04 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xck n GLY 211 N 1.39 -0.44 3.48 3.41 0.00 0.19 -4.98 105.19 108.25 1xck n GLY 211 Ca 0.03 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.06 2.52 -0.07 4.61 0.00 -1.05 -4.62 121.76 120.09 1xck s ALA 212 Ca 0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 51.96 49.99 1xck s ALA 212 Cb -0.07 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1xck s ALA 212 CO 0.19 -0.24 0.07 0.08 0.00 0.00 0.00 175.76 175.86 1xck s VAL 213 N -3.14 4.81 -0.15 0.00 1.01 0.01 -2.17 120.40 120.76 1xck s VAL 213 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1xck s VAL 213 Cb 0.08 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1xck s VAL 213 CO 0.16 0.52 0.11 -0.70 0.00 0.00 0.00 175.10 175.19 1xck s GLU 214 N -1.21 0.06 -0.07 2.72 2.12 -1.26 -1.09 118.70 119.97 1xck s GLU 214 Ca 0.17 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1xck s GLU 214 Cb -0.12 -1.48 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 1xck s GLU 214 CO 0.07 -0.60 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.51 1xck s LEU 215 N 2.18 2.62 -0.13 2.70 1.43 -0.90 -4.96 118.68 121.61 1xck s LEU 215 Ca 0.03 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1xck s LEU 215 Cb -0.15 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1xck s LEU 215 CO -0.09 0.30 -0.06 -1.61 0.23 0.00 0.00 176.35 175.12 1xck s GLU 216 N -0.44 3.44 -1.47 1.70 2.02 -1.26 -1.66 118.70 121.03 1xck s GLU 216 Ca 0.05 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1xck s GLU 216 Cb -0.12 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.36 1xck s GLU 216 CO 0.02 0.32 0.71 0.43 0.02 0.00 0.00 175.26 176.76 1xck n SER 217 N 3.27 -2.31 -4.90 -0.19 7.64 0.86 -4.61 113.62 113.39 1xck n SER 217 Ca -0.18 -0.90 -0.29 0.00 1.01 0.00 0.00 58.87 58.52 1xck n SER 217 Cb 0.53 -3.46 0.02 0.00 -1.01 0.00 0.00 64.21 60.28 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 -6.51 3.23 0.15 1.43 0.04 -1.13 -4.59 135.00 127.61 1xck s PRO 218 Ca 0.32 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.64 1xck s PRO 218 Cb -0.17 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 1xck s PRO 218 CO 0.86 -0.62 0.40 -0.06 0.04 0.00 0.00 177.00 177.62 1xck s PHE 219 N -3.06 3.48 -0.17 0.56 0.08 -0.72 -3.10 117.98 115.05 1xck s PHE 219 Ca 0.53 0.62 0.01 0.00 0.12 0.00 0.00 56.93 58.21 1xck s PHE 219 Cb -0.11 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1xck s PHE 219 CO 0.49 0.42 -0.17 0.42 -0.10 0.00 0.00 175.22 176.28 1xck s ILE 220 N -1.66 1.83 -0.30 0.64 1.01 0.52 -1.03 121.20 122.21 1xck s ILE 220 Ca 0.41 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 1xck s ILE 220 Cb -0.12 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xck s ILE 220 CO 0.24 0.47 0.49 -0.22 0.00 0.00 0.00 174.94 175.91 1xck s LEU 221 N 1.38 4.18 -0.44 2.97 2.96 0.45 -0.13 118.68 130.05 1xck s LEU 221 Ca 0.04 0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 1xck s LEU 221 Cb -0.13 -2.59 0.09 0.00 0.50 0.00 0.00 46.19 44.05 1xck s LEU 221 CO -0.11 -0.36 0.30 -0.76 -1.32 0.00 0.00 176.35 174.10 1xck s LEU 222 N 2.32 5.35 -0.20 -0.68 1.43 -1.26 -0.45 118.68 125.19 1xck s LEU 222 Ca 0.19 -1.58 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1xck s LEU 222 Cb -0.16 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1xck s LEU 222 CO 0.11 -0.59 -0.14 0.00 0.23 0.00 0.00 176.35 175.96 1xck s ALA 223 N 1.44 2.20 -1.37 4.21 0.00 -0.76 -0.08 121.76 127.40 1xck s ALA 223 Ca 0.04 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1xck s ALA 223 Cb -0.24 -1.28 0.08 0.00 0.00 0.00 0.00 23.12 21.68 1xck s ALA 223 CO 0.02 -0.68 1.97 -3.47 0.00 0.00 0.00 175.76 173.60 1xck n ASP 224 N 4.63 4.47 0.00 0.00 2.03 -0.59 -2.98 116.55 124.11 1xck n ASP 224 Ca -0.17 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1xck n ASP 224 Cb 0.47 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 6.33 0.00 -2.54 -0.67 -0.00 -1.26 -4.11 118.16 115.91 1xck n LYS 225 Ca 0.48 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.40 1xck n LYS 225 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.39 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xck s LYS 226 N -2.00 4.51 -0.26 -1.58 1.02 -1.26 -2.39 119.74 117.77 1xck s LYS 226 Ca 0.00 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 57.65 1xck s LYS 226 Cb 0.00 -2.98 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1xck s LYS 226 CO 0.00 0.14 -0.07 0.42 -0.92 0.00 0.00 175.35 174.92 1xck s ILE 227 N -1.34 2.66 -0.02 2.17 1.01 0.31 -4.94 121.20 121.05 1xck s ILE 227 Ca 0.48 -1.30 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1xck s ILE 227 Cb -0.28 -2.44 -0.12 0.00 0.01 0.00 0.00 42.46 39.62 1xck s ILE 227 CO 0.35 0.07 0.17 -1.20 0.00 0.00 0.00 174.94 174.33 1xck n SER 228 N 4.59 3.14 -4.08 3.58 7.64 -1.26 -0.91 113.62 126.31 1xck n SER 228 Ca -0.15 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.42 1xck n SER 228 Cb 0.45 1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 64.80 1xck n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xck s ASN 229 N -3.01 2.76 0.00 6.43 0.01 -1.26 -1.13 114.94 118.73 1xck s ASN 229 Ca -0.03 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1xck s ASN 229 Cb 0.05 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.46 1xck s ASN 229 CO 0.34 0.01 0.38 0.00 -1.51 0.00 0.00 177.10 176.31 1xck n ILE 230 N 4.36 0.00 0.09 0.60 3.06 -1.26 -3.06 119.36 123.15 1xck n ILE 230 Ca -0.19 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.92 1xck n ILE 230 Cb 0.51 -0.28 -0.11 0.00 0.54 0.00 0.00 39.64 40.30 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 0.30 0.29 0.00 9.51 2.43 -1.97 -3.16 114.38 121.77 1xck h ARG 231 Ca 0.00 -0.43 -0.13 0.00 -0.81 0.00 0.00 59.98 58.61 1xck h ARG 231 Cb 0.24 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1xck h ARG 231 CO 0.00 1.17 -0.62 0.93 -1.51 0.00 0.00 179.97 179.94 1xck h GLU 232 N 0.11 0.00 -0.26 0.20 5.08 -1.94 -3.27 114.58 114.49 1xck h GLU 232 Ca -0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1xck h GLU 232 Cb 1.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1xck h GLU 232 CO 0.19 0.62 -0.05 0.52 -1.00 0.00 0.00 179.01 179.28 1xck h MET 233 N 0.00 0.50 -0.51 2.33 2.86 -1.76 -3.30 114.93 115.05 1xck h MET 233 Ca -0.01 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 233 Cb 1.16 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.72 1xck h MET 233 CO 0.08 0.70 -0.26 1.28 1.06 0.00 0.00 176.91 179.78 1xck n LEU 234 N -4.55 -0.45 -0.01 1.22 4.77 -1.20 0.68 117.00 117.46 1xck n LEU 234 Ca -0.03 0.90 0.12 0.00 -0.03 0.00 0.00 56.01 56.97 1xck n LEU 234 Cb 0.29 -0.15 0.55 0.00 -2.33 0.00 0.00 43.42 41.78 1xck n LEU 234 CO 0.39 -0.76 1.17 1.55 -1.33 0.00 0.00 177.39 178.41 1xck h PRO 235 N 0.00 0.27 0.00 3.23 0.13 -1.81 -1.29 132.00 132.53 1xck h PRO 235 Ca 0.12 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 1xck h PRO 235 Cb 0.25 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.27 1xck h PRO 235 CO -0.49 0.18 -1.68 0.28 -0.23 0.00 0.00 178.00 176.06 1xck n VAL 236 N -4.46 1.34 0.14 1.56 0.31 0.22 -3.43 118.33 114.01 1xck n VAL 236 Ca 0.07 -0.75 -0.01 0.00 -0.01 0.00 0.00 64.34 63.64 1xck n VAL 236 Cb 0.35 -0.80 0.19 0.00 -0.91 0.00 0.00 33.84 32.68 1xck n VAL 236 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xck h LEU 237 N 0.00 0.01 0.17 7.52 3.38 0.03 -2.55 115.31 123.88 1xck h LEU 237 Ca -0.26 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.40 1xck h LEU 237 Cb 1.83 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.60 1xck h LEU 237 CO 0.06 0.60 -1.34 -0.33 0.09 0.00 0.00 178.44 177.51 1xck h GLU 238 N 0.01 0.43 -0.03 1.13 5.08 -1.40 -1.40 114.58 118.39 1xck h GLU 238 Ca -0.01 -0.71 -0.00 0.00 -1.00 0.00 0.00 59.36 57.64 1xck h GLU 238 Cb 1.04 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xck h GLU 238 CO 0.08 1.33 0.01 0.00 -1.00 0.00 0.00 179.01 179.43 1xck h ALA 239 N 0.37 1.97 0.00 3.43 0.00 -1.56 0.57 119.26 124.03 1xck h ALA 239 Ca -0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1xck h ALA 239 Cb 2.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1xck h ALA 239 CO 0.24 0.03 -0.80 0.28 0.00 0.00 0.00 179.25 179.00 1xck h VAL 240 N 0.04 0.46 0.00 0.00 2.07 -1.38 -3.16 116.25 114.28 1xck h VAL 240 Ca 0.01 -1.74 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 1xck h VAL 240 Cb 0.01 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1xck h VAL 240 CO -0.00 0.26 -0.35 0.00 0.02 0.00 0.00 177.57 177.50 1xck h ALA 241 N 1.64 1.31 -2.28 1.67 0.00 0.23 -3.19 119.26 118.65 1xck h ALA 241 Ca -0.05 -0.32 -0.49 0.00 0.00 0.00 0.00 54.91 54.05 1xck h ALA 241 Cb 1.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xck h ALA 241 CO 0.04 0.44 0.13 0.15 0.00 0.00 0.00 179.25 180.01 1xck s LYS 242 N -4.10 3.99 0.00 0.00 1.02 -0.63 -3.15 119.74 116.87 1xck s LYS 242 Ca -0.02 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1xck s LYS 242 Cb 0.14 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1xck s LYS 242 CO 0.71 0.09 0.00 0.00 -0.92 0.00 0.00 175.35 175.23 1xck n ALA 243 N -0.57 0.00 -3.93 5.17 0.00 -1.26 -4.34 120.51 115.58 1xck n ALA 243 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1xck n ALA 243 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 1xck n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 244 N -2.00 -0.45 3.38 0.00 0.00 -1.19 -4.96 105.19 99.97 1xck n GLY 244 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -6.55 1.37 1.10 1.61 1.02 -1.20 -5.08 119.74 112.01 1xck s LYS 245 Ca 0.26 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.74 1xck s LYS 245 Cb -0.15 -1.77 0.24 0.00 -0.52 0.00 0.00 37.83 35.64 1xck s LYS 245 CO 0.67 0.41 1.08 -1.25 -0.92 0.00 0.00 175.35 175.33 1xck s PRO 246 N -2.22 -0.42 -0.01 -1.68 0.04 -1.26 -4.74 135.00 124.69 1xck s PRO 246 Ca 0.14 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1xck s PRO 246 Cb -0.09 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1xck s PRO 246 CO 0.07 -3.27 0.01 -1.17 0.04 0.00 0.00 177.00 172.68 1xck s LEU 247 N -6.78 1.40 -0.21 -3.56 2.96 0.10 -1.76 118.68 110.83 1xck s LEU 247 Ca 0.67 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1xck s LEU 247 Cb -0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 1xck s LEU 247 CO 0.58 -0.08 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.31 1xck s LEU 248 N 0.70 3.14 -0.40 -0.68 2.96 -0.19 -1.38 118.68 122.83 1xck s LEU 248 Ca -0.06 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.43 1xck s LEU 248 Cb -0.09 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1xck s LEU 248 CO -0.02 0.02 0.28 -0.63 -1.32 0.00 0.00 176.35 174.69 1xck s ILE 249 N 1.27 5.22 -0.50 6.68 -1.09 0.62 -0.41 121.20 132.98 1xck s ILE 249 Ca 0.04 -0.60 -0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1xck s ILE 249 Cb -0.15 -3.87 0.13 0.00 -1.58 0.00 0.00 42.46 36.99 1xck s ILE 249 CO 0.00 -0.26 0.34 -0.63 -1.23 0.00 0.00 174.94 173.17 1xck s ILE 250 N 1.68 3.89 0.42 2.92 1.01 0.40 -1.16 121.20 130.35 1xck s ILE 250 Ca 0.05 -2.16 0.03 0.00 0.00 0.00 0.00 60.65 58.57 1xck s ILE 250 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1xck s ILE 250 CO 0.10 -0.79 0.07 0.00 0.00 0.00 0.00 174.94 174.32 1xck s ALA 251 N 0.92 3.11 0.54 9.38 0.00 -1.14 -1.84 121.76 132.73 1xck s ALA 251 Ca 0.10 -1.30 0.23 0.00 0.00 0.00 0.00 51.96 50.98 1xck s ALA 251 Cb -0.23 0.50 1.39 0.00 0.00 0.00 0.00 23.12 24.79 1xck s ALA 251 CO -0.03 -0.23 2.06 1.49 0.00 0.00 0.00 175.76 179.05 1xck h GLU 252 N 1.75 0.00 0.00 0.00 4.81 -1.37 0.58 114.58 120.36 1xck h GLU 252 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1xck h GLU 252 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1xck h GLU 252 CO 0.66 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.47 1xck n ASP 253 N -4.34 0.00 -3.93 1.04 2.03 -1.26 -4.48 116.55 105.61 1xck n ASP 253 Ca 0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1xck n ASP 253 Cb 0.40 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.64 1xck n ASP 253 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xck s VAL 254 N -2.00 1.33 0.32 5.18 1.01 -1.26 -0.53 120.40 124.45 1xck s VAL 254 Ca 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1xck s VAL 254 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1xck s VAL 254 CO 0.00 0.08 0.19 -1.61 0.00 0.00 0.00 175.10 173.76 1xck s GLU 255 N 1.52 2.58 0.00 2.72 2.02 -0.09 -4.64 118.70 122.82 1xck s GLU 255 Ca -0.01 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1xck s GLU 255 Cb -0.16 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1xck s GLU 255 CO -0.08 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1xck n GLY 256 N -1.21 0.00 0.33 -1.39 0.00 -1.26 -1.66 105.19 100.00 1xck n GLY 256 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1xck n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xck n GLU 257 N 0.00 -0.25 -0.01 1.61 0.00 -1.22 0.11 120.64 120.88 1xck n GLU 257 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 57.16 58.30 1xck n GLU 257 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 31.44 29.46 1xck n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xck h ALA 258 N 0.91 0.00 -0.53 4.31 0.00 -0.53 -2.59 119.26 120.83 1xck h ALA 258 Ca 0.24 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 258 Cb 0.45 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1xck h ALA 258 CO -0.81 -0.25 0.27 1.25 0.00 0.00 0.00 179.25 179.71 1xck h LEU 259 N -0.49 0.38 -0.62 0.00 5.85 -0.26 -1.11 115.31 119.05 1xck h LEU 259 Ca 0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1xck h LEU 259 Cb 0.50 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xck h LEU 259 CO 0.00 0.26 0.10 0.00 -0.34 0.00 0.00 178.44 178.45 1xck h ALA 260 N 1.29 0.83 -0.18 1.25 0.00 0.72 -1.50 119.26 121.67 1xck h ALA 260 Ca 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 260 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 260 CO -0.17 0.59 -0.16 1.15 0.00 0.00 0.00 179.25 180.65 1xck h THR 261 N 0.94 1.21 -0.06 0.00 2.02 -1.01 -2.07 112.91 113.94 1xck h THR 261 Ca 0.19 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1xck h THR 261 Cb 0.43 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1xck h THR 261 CO 0.01 0.29 -0.27 -0.07 0.37 0.00 0.00 175.52 175.85 1xck h LEU 262 N 0.28 0.34 -2.09 2.58 3.38 -1.00 -1.90 115.31 116.90 1xck h LEU 262 Ca 0.05 -0.65 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1xck h LEU 262 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xck h LEU 262 CO 0.03 0.94 0.23 0.58 0.09 0.00 0.00 178.44 180.30 1xck h VAL 263 N -0.23 0.69 0.00 1.22 2.07 -1.03 -1.99 116.25 116.98 1xck h VAL 263 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1xck h VAL 263 Cb 0.92 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xck h VAL 263 CO 0.06 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 178.18 1xck h VAL 264 N 0.00 0.00 -1.04 2.57 2.07 -1.31 -3.10 116.25 115.44 1xck h VAL 264 Ca 0.13 -0.30 0.36 0.00 0.82 0.00 0.00 66.70 67.71 1xck h VAL 264 Cb 0.58 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.20 1xck h VAL 264 CO -0.00 0.00 0.60 0.78 0.02 0.00 0.00 177.57 178.97 1xck h ASN 265 N -0.30 0.43 1.25 0.57 -0.26 -1.29 0.82 115.58 116.81 1xck h ASN 265 Ca 0.00 0.20 -0.16 0.00 -0.56 0.00 0.00 56.30 55.78 1xck h ASN 265 Cb 0.05 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1xck h ASN 265 CO 0.00 -0.21 -0.74 0.71 -1.06 0.00 0.00 177.43 176.13 1xck h THR 266 N 0.22 1.28 0.00 2.81 1.35 -1.47 0.18 112.91 117.28 1xck h THR 266 Ca 0.77 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1xck h THR 266 Cb 1.93 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.97 1xck h THR 266 CO -0.61 0.73 0.00 0.80 -0.25 0.00 0.00 175.52 176.18 1xck n MET 267 N -3.29 0.97 0.00 4.72 0.00 0.27 -2.45 117.12 117.35 1xck n MET 267 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1xck n MET 267 Cb 0.83 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.68 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 -0.87 1.49 -0.92 2.12 1.74 -0.55 -4.98 116.66 114.69 1xck n ARG 268 Ca 0.17 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1xck n ARG 268 Cb 0.08 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 -0.30 0.91 2.39 -0.13 0.00 -1.03 -4.90 105.19 102.14 1xck n GLY 269 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xck n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xck n ILE 270 N -2.00 4.09 -0.11 -0.61 5.41 0.03 -4.70 119.36 121.48 1xck n ILE 270 Ca 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 62.75 61.16 1xck n ILE 270 Cb 0.00 -2.60 0.00 0.00 -0.71 0.00 0.00 39.64 36.33 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 3.86 -0.84 -2.68 1.39 0.31 -1.26 -4.48 118.33 114.63 1xck n VAL 271 Ca 0.73 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.63 1xck n VAL 271 Cb 0.25 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 -3.88 4.23 0.07 5.55 3.01 -1.26 -3.87 119.74 123.58 1xck s LYS 272 Ca 0.00 1.28 0.02 0.00 -1.01 0.00 0.00 55.97 56.26 1xck s LYS 272 Cb 0.00 -3.65 -0.03 0.00 -1.01 0.00 0.00 37.83 33.14 1xck s LYS 272 CO 0.00 -0.65 -0.07 0.08 0.51 0.00 0.00 175.35 175.22 1xck s VAL 273 N 3.22 0.63 -0.18 3.17 1.01 -1.26 0.02 120.40 127.00 1xck s VAL 273 Ca 0.43 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1xck s VAL 273 Cb -0.15 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1xck s VAL 273 CO 0.07 -0.61 0.46 0.00 0.00 0.00 0.00 175.10 175.02 1xck s ALA 274 N -2.43 -1.18 0.04 5.51 0.00 -0.48 -4.88 121.76 118.35 1xck s ALA 274 Ca 0.00 1.58 0.09 0.00 0.00 0.00 0.00 51.96 53.63 1xck s ALA 274 Cb -0.03 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1xck s ALA 274 CO -0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 175.76 175.23 1xck s ALA 275 N 1.10 2.36 0.00 0.00 0.00 -1.26 -0.27 121.76 123.69 1xck s ALA 275 Ca -0.07 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1xck s ALA 275 Cb -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1xck s ALA 275 CO -0.10 0.54 0.24 0.14 0.00 0.00 0.00 175.76 176.58 1xck s VAL 276 N -0.84 0.08 0.61 0.00 -7.23 -0.31 -1.14 120.40 111.57 1xck s VAL 276 Ca 0.12 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 59.51 1xck s VAL 276 Cb -0.10 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1xck s VAL 276 CO 0.03 -0.34 1.11 -0.54 -0.31 0.00 0.00 175.10 175.05 1xck s LYS 277 N -1.61 3.06 0.49 4.82 1.02 -1.26 -2.90 119.74 123.36 1xck s LYS 277 Ca -0.12 1.44 -0.21 0.00 0.02 0.00 0.00 55.97 57.10 1xck s LYS 277 Cb -0.05 -1.98 -0.07 0.00 -0.52 0.00 0.00 37.83 35.21 1xck s LYS 277 CO 0.02 -1.05 1.10 0.00 -0.92 0.00 0.00 175.35 174.50 1xck s ALA 278 N -2.16 2.85 0.47 5.17 0.00 0.20 -4.78 121.76 123.52 1xck s ALA 278 Ca 0.69 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1xck s ALA 278 Cb -0.21 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1xck s ALA 278 CO 0.36 -0.55 1.28 -1.25 0.00 0.00 0.00 175.76 175.60 1xck s PRO 279 N -3.05 3.63 1.51 0.00 0.04 -1.26 -4.84 135.00 131.03 1xck s PRO 279 Ca 0.67 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1xck s PRO 279 Cb -0.23 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1xck s PRO 279 CO 0.27 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1xck n GLY 280 N 0.61 -1.45 3.23 0.56 0.00 -1.26 -4.38 105.19 102.51 1xck n GLY 280 Ca 0.07 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N -0.11 1.04 0.00 1.61 -0.71 -1.26 -4.77 117.98 113.78 1xck s PHE 281 Ca 0.00 -1.29 0.00 0.00 -1.04 0.00 0.00 56.93 54.60 1xck s PHE 281 Cb 0.00 -0.47 0.00 0.00 -1.21 0.00 0.00 43.02 41.34 1xck s PHE 281 CO 0.00 -0.66 0.00 0.41 -1.34 0.00 0.00 175.22 173.63 1xck n GLY 282 N -0.26 2.44 0.12 1.99 0.00 -1.26 -2.87 105.19 105.35 1xck n GLY 282 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1xck n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xck h ASP 283 N 9.72 -0.18 0.00 1.61 3.32 -2.01 -2.59 116.42 126.30 1xck h ASP 283 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 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 0.05 0.14 0.08 -1.72 0.00 0.00 179.24 177.79 1xck h ARG 284 N -0.41 0.00 -0.26 3.56 0.11 -1.97 0.46 114.38 115.88 1xck h ARG 284 Ca -0.02 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.90 1xck h ARG 284 Cb 0.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 1xck h ARG 284 CO 0.03 0.00 -0.44 -0.09 0.10 0.00 0.00 179.97 179.57 1xck h ARG 285 N 0.00 0.76 -0.49 0.08 2.43 -1.31 -1.96 114.38 113.88 1xck h ARG 285 Ca 0.00 -0.47 -0.09 0.00 -0.81 0.00 0.00 59.98 58.61 1xck h ARG 285 Cb 0.27 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1xck h ARG 285 CO 0.00 1.09 -0.07 0.87 -1.51 0.00 0.00 179.97 180.36 1xck h LYS 286 N 0.50 0.90 -0.34 0.20 1.57 -0.92 -1.35 116.57 117.13 1xck h LYS 286 Ca 0.02 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1xck h LYS 286 Cb 1.04 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 1xck h LYS 286 CO 0.10 0.97 0.13 0.00 -0.57 0.00 0.00 179.45 180.08 1xck h ALA 287 N 0.90 0.40 -0.07 3.86 0.00 -1.32 -2.22 119.26 120.80 1xck h ALA 287 Ca 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 287 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1xck h ALA 287 CO 0.04 -0.26 -0.41 0.52 0.00 0.00 0.00 179.25 179.14 1xck h MET 288 N 0.28 0.15 -0.21 0.00 2.86 -1.22 -2.29 114.93 114.51 1xck h MET 288 Ca 0.15 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1xck h MET 288 Cb 0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1xck h MET 288 CO -0.14 0.54 -0.09 -0.07 1.06 0.00 0.00 176.91 178.21 1xck h LEU 289 N 0.13 0.30 -0.35 1.22 3.38 -0.67 -1.20 115.31 118.13 1xck h LEU 289 Ca 0.01 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1xck h LEU 289 Cb 0.78 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xck h LEU 289 CO 0.06 0.43 -0.68 -0.61 0.09 0.00 0.00 178.44 177.73 1xck h GLN 290 N 0.31 0.61 0.00 1.13 5.75 -0.95 -2.04 115.11 119.91 1xck h GLN 290 Ca 0.06 -0.46 0.02 0.00 -0.15 0.00 0.00 58.65 58.13 1xck h GLN 290 Cb 0.35 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1xck h GLN 290 CO 0.02 1.08 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.70 1xck h ASP 291 N 0.43 -0.40 -0.97 -0.69 5.19 -0.80 0.46 116.42 119.65 1xck h ASP 291 Ca -0.02 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1xck h ASP 291 Cb 1.27 0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.88 1xck h ASP 291 CO 0.13 -0.19 0.62 0.40 -3.12 0.00 0.00 179.24 177.08 1xck h ILE 292 N -0.23 1.09 0.49 0.35 2.04 -1.20 -0.66 117.51 119.38 1xck h ILE 292 Ca 0.05 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1xck h ILE 292 Cb 0.29 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1xck h ILE 292 CO -0.13 0.21 -0.31 0.00 0.00 0.00 0.00 178.15 177.91 1xck h ALA 293 N 1.44 -0.78 -0.69 1.87 0.00 -0.57 0.06 119.26 120.60 1xck h ALA 293 Ca 0.42 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1xck h ALA 293 Cb 0.15 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1xck h ALA 293 CO -0.17 -0.95 0.33 1.15 0.00 0.00 0.00 179.25 179.61 1xck h THR 294 N -0.77 0.83 -0.48 0.00 2.02 -0.49 0.50 112.91 114.53 1xck h THR 294 Ca -0.06 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1xck h THR 294 Cb 0.63 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1xck h THR 294 CO 0.05 0.10 0.12 0.25 0.37 0.00 0.00 175.52 176.41 1xck h LEU 295 N 0.56 0.67 -1.90 2.58 7.12 -0.82 -2.93 115.31 120.59 1xck h LEU 295 Ca 0.34 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1xck h LEU 295 Cb 0.37 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1xck h LEU 295 CO -0.27 0.67 -0.00 0.35 -0.13 0.00 0.00 178.44 179.05 1xck n THR 296 N -4.30 0.00 -3.27 1.05 -2.24 -0.02 -1.65 114.28 103.86 1xck n THR 296 Ca 0.03 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 1xck n THR 296 Cb 0.21 1.49 0.08 0.00 -2.10 0.00 0.00 70.33 70.01 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 1.32 -0.27 2.75 3.38 0.00 0.17 -0.79 105.19 111.75 1xck n GLY 297 Ca 0.14 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.16 3.52 3.20 -0.02 0.00 -0.66 -4.44 105.19 105.63 1xck n GLY 298 Ca -0.24 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.30 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 -2.65 1.98 -0.12 2.61 2.01 0.46 -4.56 115.64 115.36 1xck s THR 299 Ca 0.10 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1xck s THR 299 Cb 0.01 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1xck s THR 299 CO 0.07 0.54 1.20 -0.69 -0.69 0.00 0.00 174.62 175.05 1xck s VAL 300 N 0.38 4.34 -0.70 3.82 1.01 -1.26 -4.50 120.40 123.49 1xck s VAL 300 Ca -0.18 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.26 1xck s VAL 300 Cb -0.18 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.27 1xck s VAL 300 CO 0.08 -0.08 0.81 -0.63 0.00 0.00 0.00 175.10 175.28 1xck s ILE 301 N 2.84 4.90 -0.11 2.22 1.01 0.89 -4.94 121.20 128.02 1xck s ILE 301 Ca 0.54 -1.31 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1xck s ILE 301 Cb -0.22 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1xck s ILE 301 CO 0.17 -1.20 -0.02 -0.94 0.00 0.00 0.00 174.94 172.95 1xck s SER 302 N 3.41 5.03 0.46 3.58 1.04 -1.26 -1.53 113.70 124.42 1xck s SER 302 Ca 0.17 0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.85 1xck s SER 302 Cb -0.18 -1.52 1.13 0.00 0.10 0.00 0.00 66.02 65.55 1xck s SER 302 CO 0.01 0.31 1.97 -0.33 0.98 0.00 0.00 173.24 176.17 1xck h GLU 303 N 5.68 0.00 0.15 4.02 5.08 -1.78 -2.69 114.58 125.04 1xck h GLU 303 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xck h GLU 303 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xck h GLU 303 CO 0.57 0.21 -0.34 0.93 -1.00 0.00 0.00 179.01 179.38 1xck h GLU 304 N 0.00 -0.52 0.00 2.33 5.08 -1.91 0.16 114.58 119.72 1xck h GLU 304 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 304 Cb 0.47 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xck h GLU 304 CO 0.03 -0.34 0.00 -0.89 -1.00 0.00 0.00 179.01 176.80 1xck n ILE 305 N -4.38 0.00 -2.41 3.13 5.41 -1.21 -4.80 119.36 115.09 1xck n ILE 305 Ca -0.06 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.64 1xck n ILE 305 Cb 0.28 -0.88 0.02 0.00 -0.71 0.00 0.00 39.64 38.35 1xck n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xck n GLY 306 N -0.65 0.28 3.82 7.39 0.00 0.55 -5.07 105.19 111.51 1xck n GLY 306 Ca 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1xck n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 307 N -4.46 2.80 -0.01 1.61 -1.94 -1.02 -5.02 119.30 111.26 1xck s MET 307 Ca 0.02 -1.18 0.02 0.00 -1.71 0.00 0.00 55.69 52.84 1xck s MET 307 Cb -0.01 -2.50 -0.00 0.00 2.01 0.00 0.00 34.83 34.33 1xck s MET 307 CO 0.19 0.28 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.20 1xck s GLU 308 N -3.89 0.53 0.51 2.03 2.02 -1.26 -4.44 118.70 114.20 1xck s GLU 308 Ca 0.36 -0.23 0.26 0.00 0.02 0.00 0.00 54.97 55.38 1xck s GLU 308 Cb -0.07 -0.51 1.38 0.00 0.10 0.00 0.00 34.13 35.03 1xck s GLU 308 CO 0.25 0.13 2.06 -0.07 0.02 0.00 0.00 175.26 177.65 1xck h LEU 309 N 6.02 0.00 -1.15 1.80 3.38 -1.95 -1.50 115.31 121.91 1xck h LEU 309 Ca -0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1xck h LEU 309 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1xck h LEU 309 CO 0.50 0.13 -0.35 -0.33 0.09 0.00 0.00 178.44 178.48 1xck h GLU 310 N 0.00 0.00 -0.58 1.13 3.07 -1.94 -2.83 114.58 113.43 1xck h GLU 310 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1xck h GLU 310 Cb 0.34 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 1xck h GLU 310 CO 0.02 0.35 0.09 1.63 -1.40 0.00 0.00 179.01 179.70 1xck n LYS 311 N -3.69 4.16 -3.62 2.33 5.02 -0.57 -4.81 118.16 116.98 1xck n LYS 311 Ca -0.01 -3.10 -0.36 0.00 -2.02 0.00 0.00 58.31 52.82 1xck n LYS 311 Cb 0.45 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.20 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck s ALA 312 N -2.88 3.64 0.42 7.82 0.00 -1.07 -4.93 121.76 124.76 1xck s ALA 312 Ca 0.53 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1xck s ALA 312 Cb 0.42 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1xck s ALA 312 CO 0.14 0.14 0.28 0.95 0.00 0.00 0.00 175.76 177.27 1xck s THR 313 N 0.36 2.43 0.47 0.00 -4.23 -1.26 -4.46 115.64 108.95 1xck s THR 313 Ca 0.13 -1.52 0.24 0.00 -1.18 0.00 0.00 61.69 59.36 1xck s THR 313 Cb -0.12 -2.95 0.43 0.00 1.34 0.00 0.00 72.50 71.20 1xck s THR 313 CO 0.02 0.00 1.86 -0.07 -0.54 0.00 0.00 174.62 175.89 1xck h LEU 314 N 1.20 0.23 -1.65 4.79 3.38 -1.93 0.53 115.31 121.86 1xck h LEU 314 Ca -0.42 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1xck h LEU 314 Cb 1.26 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1xck h LEU 314 CO 0.63 0.08 0.36 -0.08 0.09 0.00 0.00 178.44 179.53 1xck h GLU 315 N 0.22 0.40 0.00 1.13 4.81 -2.00 -0.71 114.58 118.44 1xck h GLU 315 Ca 0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1xck h GLU 315 Cb 1.46 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 1xck h GLU 315 CO -0.11 0.27 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.93 1xck h ASP 316 N 0.41 0.00 -3.94 1.04 3.32 -1.25 -3.43 116.42 112.57 1xck h ASP 316 Ca 0.24 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.78 1xck h ASP 316 Cb 0.41 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.02 1xck h ASP 316 CO -0.06 0.06 0.52 -0.76 -1.72 0.00 0.00 179.24 177.28 1xck s LEU 317 N -6.25 4.22 0.90 1.55 1.02 -0.27 0.17 118.68 120.01 1xck s LEU 317 Ca 0.06 2.38 -0.10 0.00 0.02 0.00 0.00 54.13 56.48 1xck s LEU 317 Cb 0.06 -3.99 0.19 0.00 0.02 0.00 0.00 46.19 42.48 1xck s LEU 317 CO 0.66 -0.66 1.22 -0.83 0.02 0.00 0.00 176.35 176.76 1xck s GLY 318 N -1.08 1.79 -0.09 -3.19 0.00 0.82 -4.33 107.32 101.24 1xck s GLY 318 Ca 0.56 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 1xck s GLY 318 CO 0.40 -0.78 0.74 1.62 0.00 0.00 0.00 173.10 175.07 1xck s GLN 319 N -5.65 0.96 0.08 2.90 0.74 0.03 -0.36 119.66 118.37 1xck s GLN 319 Ca 0.73 0.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.24 1xck s GLN 319 Cb -0.03 0.46 0.05 0.00 1.10 0.00 0.00 33.01 34.59 1xck s GLN 319 CO 0.50 -0.28 0.52 0.00 -0.55 0.00 0.00 175.29 175.48 1xck s ALA 320 N -1.00 -1.31 0.35 1.58 0.00 -1.18 -1.34 121.76 118.85 1xck s ALA 320 Ca -0.08 0.49 0.17 0.00 0.00 0.00 0.00 51.96 52.53 1xck s ALA 320 Cb -0.01 0.51 0.88 0.00 0.00 0.00 0.00 23.12 24.50 1xck s ALA 320 CO 0.08 -0.57 1.87 0.87 0.00 0.00 0.00 175.76 178.01 1xck h LYS 321 N 2.59 0.00 -1.55 0.00 1.57 -1.18 -2.98 116.57 115.02 1xck h LYS 321 Ca -0.32 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1xck h LYS 321 Cb 1.23 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.28 1xck h LYS 321 CO 0.42 0.31 0.50 0.50 -0.57 0.00 0.00 179.45 180.61 1xck s ARG 322 N -4.10 0.49 0.04 3.15 3.52 -1.04 -0.09 118.95 120.90 1xck s ARG 322 Ca -0.02 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.11 1xck s ARG 322 Cb 0.14 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 1xck s ARG 322 CO 0.69 -0.08 -0.12 0.14 -0.81 0.00 0.00 175.30 175.12 1xck s VAL 323 N -0.00 0.95 -0.07 7.11 -7.23 -0.66 -0.10 120.40 120.39 1xck s VAL 323 Ca 0.03 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1xck s VAL 323 Cb -0.04 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1xck s VAL 323 CO -0.06 -0.07 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.91 1xck s VAL 324 N -0.91 0.79 -0.08 1.32 1.01 -0.55 -2.12 120.40 119.85 1xck s VAL 324 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1xck s VAL 324 Cb -0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1xck s VAL 324 CO 0.01 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 1xck s ILE 325 N 1.16 2.70 0.00 2.22 1.01 -0.25 -1.34 121.20 126.70 1xck s ILE 325 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1xck s ILE 325 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1xck s ILE 325 CO -0.01 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.08 1xck n ASN 326 N 3.01 0.65 0.13 3.58 3.02 0.28 -0.81 115.26 125.12 1xck n ASN 326 Ca -0.18 -0.68 -0.01 0.00 -0.03 0.00 0.00 54.58 53.68 1xck n ASN 326 Cb 0.52 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.04 0.00 3.52 3.64 -1.92 -1.24 116.57 120.61 1xck h LYS 327 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1xck h LYS 327 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1xck h LYS 327 CO 0.00 0.61 -0.63 -0.40 -2.27 0.00 0.00 179.45 176.76 1xck n ASP 328 N -3.86 0.27 -3.72 4.20 5.68 -1.26 -3.69 116.55 114.17 1xck n ASP 328 Ca -0.01 -1.97 -0.12 0.00 -0.50 0.00 0.00 54.79 52.19 1xck n ASP 328 Cb 0.59 -0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.03 -0.11 2.12 2.01 -0.86 -2.58 115.64 116.19 1xck s THR 329 Ca 0.10 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1xck s THR 329 Cb 0.11 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1xck s THR 329 CO -0.05 0.04 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.82 1xck s THR 330 N 1.20 2.20 -0.08 -0.82 2.01 -0.25 0.10 115.64 120.00 1xck s THR 330 Ca -0.08 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1xck s THR 330 Cb -0.09 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1xck s THR 330 CO -0.09 0.55 -0.04 0.28 -0.69 0.00 0.00 174.62 174.63 1xck s THR 331 N 0.41 0.67 -0.39 -0.82 -1.32 -0.45 -0.88 115.64 112.86 1xck s THR 331 Ca -0.16 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.04 1xck s THR 331 Cb -0.17 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1xck s THR 331 CO 0.07 0.30 0.52 -0.63 -2.21 0.00 0.00 174.62 172.67 1xck s ILE 332 N 1.65 4.99 -0.35 5.08 1.01 0.50 -1.48 121.20 132.60 1xck s ILE 332 Ca 0.02 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 1xck s ILE 332 Cb -0.13 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1xck s ILE 332 CO -0.05 -0.35 0.25 -0.63 0.00 0.00 0.00 174.94 174.16 1xck s ILE 333 N 2.42 5.23 -0.31 2.92 1.01 0.85 -1.56 121.20 131.77 1xck s ILE 333 Ca 0.18 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1xck s ILE 333 Cb -0.16 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1xck s ILE 333 CO 0.15 -0.07 0.43 -0.67 0.00 0.00 0.00 174.94 174.77 1xck n ASP 334 N 5.11 -6.28 -4.81 3.58 2.03 0.65 -2.51 116.55 114.31 1xck n ASP 334 Ca -0.12 0.38 -0.35 0.00 0.52 0.00 0.00 54.79 55.21 1xck n ASP 334 Cb 0.49 -4.17 -0.06 0.00 -0.72 0.00 0.00 41.12 36.66 1xck n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xck s GLY 335 N -2.17 2.59 0.00 0.27 0.00 -0.97 -1.92 107.32 105.12 1xck s GLY 335 Ca 0.18 0.32 0.16 0.00 0.00 0.00 0.00 44.72 45.38 1xck s GLY 335 CO 0.55 0.67 1.46 -0.62 0.00 0.00 0.00 173.10 175.17 1xck n VAL 336 N 0.22 0.60 -1.42 1.40 0.31 -0.45 -4.84 118.33 114.15 1xck n VAL 336 Ca 0.02 0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 1xck n VAL 336 Cb 0.52 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.57 1xck n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xck n GLY 337 N 0.08 -1.77 3.72 2.92 0.00 -0.66 -4.74 105.19 104.75 1xck n GLY 337 Ca 0.07 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.47 4.61 0.60 1.61 0.41 -1.26 -4.90 118.70 118.30 1xck s GLU 338 Ca 0.63 1.48 0.28 0.00 -0.41 0.00 0.00 54.97 56.95 1xck s GLU 338 Cb -0.61 -3.41 1.33 0.00 -1.78 0.00 0.00 34.13 29.67 1xck s GLU 338 CO 0.59 0.05 1.72 0.93 -0.49 0.00 0.00 175.26 178.07 1xck h GLU 339 N 6.18 0.00 -0.00 1.61 4.39 -1.97 0.32 114.58 125.11 1xck h GLU 339 Ca -0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 1xck h GLU 339 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1xck h GLU 339 CO 0.74 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.59 1xck h ALA 340 N 1.18 0.00 0.37 3.43 0.00 -1.97 -2.13 119.26 120.14 1xck h ALA 340 Ca 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xck h ALA 340 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1xck h ALA 340 CO -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 179.25 178.96 1xck h ALA 341 N 0.22 -0.50 0.47 0.00 0.00 -0.87 0.57 119.26 119.15 1xck h ALA 341 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xck h ALA 341 Cb 0.79 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1xck h ALA 341 CO 0.00 -0.75 -0.49 0.82 0.00 0.00 0.00 179.25 178.84 1xck h ILE 342 N -0.56 0.00 -0.29 0.00 2.04 -1.07 0.06 117.51 117.68 1xck h ILE 342 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1xck h ILE 342 Cb 0.42 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1xck h ILE 342 CO 0.08 0.00 0.23 -0.61 0.00 0.00 0.00 178.15 177.86 1xck h GLN 343 N -0.96 0.00 -0.19 2.37 5.75 -1.40 0.32 115.11 120.99 1xck h GLN 343 Ca -0.06 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.26 1xck h GLN 343 Cb 0.83 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.38 1xck h GLN 343 CO -0.07 0.00 -0.62 0.78 -2.65 0.00 0.00 178.83 176.28 1xck h GLY 344 N 0.00 0.74 1.05 2.39 0.00 -0.05 -2.78 103.07 104.42 1xck h GLY 344 Ca 0.14 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 1xck h GLY 344 CO -0.00 0.82 -0.09 -0.09 0.00 0.00 0.00 176.54 177.18 1xck h ARG 345 N 0.50 0.94 -0.34 4.80 9.65 0.96 -2.47 114.38 128.42 1xck h ARG 345 Ca -0.01 -0.34 0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1xck h ARG 345 Cb 1.20 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 1xck h ARG 345 CO 0.12 1.00 0.24 0.28 2.80 0.00 0.00 179.97 184.41 1xck h VAL 346 N 0.80 0.89 0.11 0.20 2.07 -1.18 -2.12 116.25 117.03 1xck h VAL 346 Ca 0.13 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1xck h VAL 346 Cb 0.64 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1xck h VAL 346 CO 0.04 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 1xck h ALA 347 N 1.83 -0.15 0.39 1.67 0.00 -1.16 -0.80 119.26 121.03 1xck h ALA 347 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 347 Cb 0.47 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1xck h ALA 347 CO -0.02 -0.40 -0.51 1.96 0.00 0.00 0.00 179.25 180.28 1xck h GLN 348 N -0.51 -0.89 -0.84 0.00 4.20 -1.26 0.10 115.11 115.91 1xck h GLN 348 Ca -0.02 0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.93 1xck h GLN 348 Cb 0.41 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1xck h GLN 348 CO 0.02 -0.59 0.56 0.82 -0.67 0.00 0.00 178.83 178.97 1xck h ILE 349 N -0.93 0.75 0.00 2.54 2.04 -1.47 0.63 117.51 121.07 1xck h ILE 349 Ca -0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1xck h ILE 349 Cb 0.84 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xck h ILE 349 CO -0.13 0.08 0.00 -0.09 0.00 0.00 0.00 178.15 178.02 1xck h ARG 350 N 0.46 0.00 0.17 2.37 2.43 -0.41 -2.90 114.38 116.50 1xck h ARG 350 Ca 0.43 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.31 1xck h ARG 350 Cb 0.97 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1xck h ARG 350 CO -0.16 0.00 -1.37 0.37 -1.51 0.00 0.00 179.97 177.30 1xck h GLN 351 N 0.00 0.37 -1.00 0.20 -0.00 0.26 -3.28 115.11 111.66 1xck h GLN 351 Ca 0.00 -0.63 0.14 0.00 -0.00 0.00 0.00 58.65 58.16 1xck h GLN 351 Cb 0.80 0.23 -0.09 0.00 0.00 0.00 0.00 27.48 28.43 1xck h GLN 351 CO 0.00 1.30 0.62 1.96 0.00 0.00 0.00 178.83 182.72 1xck h GLN 352 N -0.11 0.89 -0.68 1.69 1.08 -0.58 0.74 115.11 118.13 1xck h GLN 352 Ca -0.27 -0.05 0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1xck h GLN 352 Cb 1.92 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 29.10 1xck h GLN 352 CO 0.16 0.59 0.46 0.82 -0.95 0.00 0.00 178.83 179.92 1xck h ILE 353 N 0.92 0.79 0.03 2.54 2.04 -1.57 -0.95 117.51 121.30 1xck h ILE 353 Ca 0.51 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.27 1xck h ILE 353 Cb 0.61 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1xck h ILE 353 CO -0.29 0.05 -0.01 -0.33 0.00 0.00 0.00 178.15 177.57 1xck h GLU 354 N 0.30 -0.03 -0.27 2.37 4.39 -0.97 -3.14 114.58 117.23 1xck h GLU 354 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1xck h GLU 354 Cb 0.88 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1xck h GLU 354 CO -0.08 0.64 0.00 0.39 -1.16 0.00 0.00 179.01 178.80 1xck n GLU 355 N -4.77 0.64 -2.57 2.33 1.02 -0.71 -4.77 120.64 111.81 1xck n GLU 355 Ca -0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 1xck n GLU 355 Cb 0.34 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck s ALA 356 N -1.58 3.56 -2.08 0.62 0.00 -0.44 -4.90 121.76 116.93 1xck s ALA 356 Ca 0.00 0.39 0.26 0.00 0.00 0.00 0.00 51.96 52.60 1xck s ALA 356 Cb 0.00 -3.53 0.57 0.00 0.00 0.00 0.00 23.12 20.17 1xck s ALA 356 CO 0.00 -0.89 1.46 0.25 0.00 0.00 0.00 175.76 176.58 1xck n THR 357 N 4.96 0.00 -4.15 0.00 -2.24 -1.26 -4.94 114.28 106.66 1xck n THR 357 Ca 0.11 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1xck n THR 357 Cb 0.47 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 1xck n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xck s SER 358 N -2.35 0.46 -0.12 3.42 0.15 -1.26 -5.08 113.70 108.92 1xck s SER 358 Ca 0.26 -1.16 -0.19 0.00 0.70 0.00 0.00 55.95 55.56 1xck s SER 358 Cb 0.19 0.25 -0.17 0.00 -1.71 0.00 0.00 66.02 64.59 1xck s SER 358 CO 0.48 -0.68 0.55 0.44 1.20 0.00 0.00 173.24 175.22 1xck h ASP 359 N 2.90 -0.02 -0.83 5.45 3.32 -1.98 -2.88 116.42 122.38 1xck h ASP 359 Ca -0.35 -0.62 0.17 0.00 0.02 0.00 0.00 57.03 56.25 1xck h ASP 359 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1xck h ASP 359 CO 0.61 0.77 -0.21 0.22 -1.72 0.00 0.00 179.24 178.92 1xck h TYR 360 N -0.98 -0.44 -0.43 4.55 3.20 -1.99 1.12 116.97 122.02 1xck h TYR 360 Ca -0.00 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1xck h TYR 360 Cb 0.63 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1xck h TYR 360 CO 0.17 -0.36 0.18 -0.44 -1.64 0.00 0.00 178.16 176.08 1xck h ASP 361 N 0.00 0.54 -0.18 -2.11 5.19 -2.00 -1.05 116.42 116.80 1xck h ASP 361 Ca 0.40 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.66 1xck h ASP 361 Cb 0.61 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1xck h ASP 361 CO -0.85 0.48 -0.25 -0.09 -3.12 0.00 0.00 179.24 175.40 1xck h ARG 362 N 0.60 0.49 0.38 3.56 2.43 0.12 -2.50 114.38 119.46 1xck h ARG 362 Ca 0.15 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1xck h ARG 362 Cb 0.10 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xck h ARG 362 CO -0.02 0.88 -0.24 0.93 -1.51 0.00 0.00 179.97 180.01 1xck h GLU 363 N 0.14 -0.58 -0.81 0.20 4.39 0.52 -1.03 114.58 117.42 1xck h GLU 363 Ca 0.02 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.91 1xck h GLU 363 Cb 0.82 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.55 1xck h GLU 363 CO 0.06 -0.38 0.53 0.87 -1.16 0.00 0.00 179.01 178.93 1xck h LYS 364 N -0.60 0.47 -0.17 2.33 1.79 -1.24 -0.81 116.57 118.34 1xck h LYS 364 Ca -0.04 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 1xck h LYS 364 Cb 0.50 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1xck h LYS 364 CO 0.04 0.31 -0.49 -0.07 -1.08 0.00 0.00 179.45 178.16 1xck h LEU 365 N 0.48 0.72 -0.96 2.94 3.38 -0.99 -3.06 115.31 117.83 1xck h LEU 365 Ca 0.40 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xck h LEU 365 Cb 0.85 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1xck h LEU 365 CO -0.15 1.19 0.62 1.56 0.09 0.00 0.00 178.44 181.75 1xck h GLN 366 N 0.30 1.17 -0.38 1.13 1.08 0.11 -1.85 115.11 116.67 1xck h GLN 366 Ca -0.01 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1xck h GLN 366 Cb 1.11 -0.26 -0.05 0.00 -0.05 0.00 0.00 27.48 28.23 1xck h GLN 366 CO 0.11 0.78 0.09 0.93 -0.95 0.00 0.00 178.83 179.79 1xck h GLU 367 N 1.21 0.22 -0.51 1.46 5.08 -1.15 -0.97 114.58 119.92 1xck h GLU 367 Ca 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1xck h GLU 367 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xck h GLU 367 CO -0.12 0.15 0.28 0.00 -1.00 0.00 0.00 179.01 178.31 1xck h ARG 368 N 0.23 0.71 -0.01 2.33 3.08 -1.26 -1.37 114.38 118.09 1xck h ARG 368 Ca 0.18 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 368 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1xck h ARG 368 CO -0.22 0.55 -0.37 -0.39 -1.07 0.00 0.00 179.97 178.47 1xck h VAL 369 N 0.68 1.27 -0.16 2.04 -1.51 -1.13 -1.41 116.25 116.04 1xck h VAL 369 Ca 0.18 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.36 1xck h VAL 369 Cb 0.05 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1xck h VAL 369 CO -0.03 0.37 0.08 0.00 -1.23 0.00 0.00 177.57 176.75 1xck h ALA 370 N 1.61 0.20 0.65 5.19 0.00 -0.58 0.44 119.26 126.77 1xck h ALA 370 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 370 Cb 0.66 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xck h ALA 370 CO 0.05 -0.24 -0.31 0.87 0.00 0.00 0.00 179.25 179.62 1xck h LYS 371 N 0.13 -0.84 0.22 0.00 1.57 -0.96 0.14 116.57 116.83 1xck h LYS 371 Ca 0.05 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1xck h LYS 371 Cb 0.12 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xck h LYS 371 CO -0.01 -0.54 -0.17 1.25 -0.57 0.00 0.00 179.45 179.41 1xck h LEU 372 N -0.91 -0.44 -2.01 2.94 5.85 -1.16 -3.02 115.31 116.56 1xck h LEU 372 Ca -0.09 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1xck h LEU 372 Cb 0.68 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1xck h LEU 372 CO 0.15 -0.24 -0.09 0.00 -0.34 0.00 0.00 178.44 177.92 1xck h ALA 373 N -1.57 1.54 -0.35 1.25 0.00 -0.22 -3.20 119.26 116.71 1xck h ALA 373 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1xck h ALA 373 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 373 CO 0.01 0.11 -0.10 0.78 0.00 0.00 0.00 179.25 180.06 1xck h GLY 374 N 0.43 0.74 0.00 0.00 0.00 -0.64 -3.50 103.07 100.10 1xck h GLY 374 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1xck h GLY 374 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1xck n GLY 375 N -0.16 -1.73 2.79 4.60 0.00 -1.15 -4.92 105.19 104.62 1xck n GLY 375 Ca -0.02 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.09 0.24 1.61 1.01 -0.12 -4.54 120.40 118.51 1xck s VAL 376 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1xck s VAL 376 Cb 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 1xck s VAL 376 CO 0.00 0.11 1.05 0.00 0.00 0.00 0.00 175.10 176.26 1xck s ALA 377 N 1.50 3.37 -0.19 5.51 0.00 0.32 -1.10 121.76 131.17 1xck s ALA 377 Ca -0.04 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1xck s ALA 377 Cb -0.12 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1xck s ALA 377 CO -0.04 -0.06 -0.11 0.08 0.00 0.00 0.00 175.76 175.63 1xck s VAL 378 N -0.91 1.63 -0.34 0.00 1.01 -0.52 -0.69 120.40 120.58 1xck s VAL 378 Ca 0.45 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1xck s VAL 378 Cb -0.29 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1xck s VAL 378 CO 0.37 0.20 0.30 -0.63 0.00 0.00 0.00 175.10 175.34 1xck s ILE 379 N 1.41 5.23 -0.32 2.22 1.01 0.29 -2.62 121.20 128.43 1xck s ILE 379 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1xck s ILE 379 Cb -0.16 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1xck s ILE 379 CO -0.08 -0.06 0.22 -0.54 0.00 0.00 0.00 174.94 174.47 1xck s LYS 380 N 1.87 3.61 -0.11 2.79 1.02 0.56 -0.95 119.74 128.53 1xck s LYS 380 Ca 0.09 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 1xck s LYS 380 Cb -0.17 -3.74 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1xck s LYS 380 CO 0.11 -0.36 0.92 0.08 -0.92 0.00 0.00 175.35 175.18 1xck s VAL 381 N 1.72 4.85 0.26 3.17 1.01 -0.77 -1.14 120.40 129.50 1xck s VAL 381 Ca 0.06 1.86 0.06 0.00 0.00 0.00 0.00 61.98 63.96 1xck s VAL 381 Cb -0.17 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1xck s VAL 381 CO 0.10 0.05 0.37 -0.83 0.00 0.00 0.00 175.10 174.79 1xck s GLY 382 N 1.08 1.32 0.03 4.51 0.00 -1.26 -1.14 107.32 111.86 1xck s GLY 382 Ca 0.44 -1.30 -0.29 0.00 0.00 0.00 0.00 44.72 43.58 1xck s GLY 382 CO 0.17 -1.30 1.11 0.00 0.00 0.00 0.00 173.10 173.08 1xck s ALA 383 N -2.04 -1.95 0.15 3.20 0.00 -1.04 -4.56 121.76 115.52 1xck s ALA 383 Ca 0.36 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1xck s ALA 383 Cb -0.09 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.39 1xck s ALA 383 CO 0.29 -0.95 1.34 0.00 0.00 0.00 0.00 175.76 176.44 1xck h ALA 384 N 2.00 0.46 -2.43 0.00 0.00 -1.95 -3.16 119.26 114.17 1xck h ALA 384 Ca -0.25 -0.76 -0.38 0.00 0.00 0.00 0.00 54.91 53.53 1xck h ALA 384 Cb 1.21 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1xck h ALA 384 CO 0.27 0.95 -0.73 0.95 0.00 0.00 0.00 179.25 180.68 1xck s THR 385 N -3.11 1.32 0.30 0.00 -4.23 -1.26 -4.96 115.64 103.70 1xck s THR 385 Ca -0.03 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1xck s THR 385 Cb 0.10 -1.78 0.24 0.00 1.34 0.00 0.00 72.50 72.40 1xck s THR 385 CO 0.83 -0.62 1.94 -0.08 -0.54 0.00 0.00 174.62 176.16 1xck h GLU 386 N 2.97 1.02 0.23 3.99 4.81 -1.99 -1.24 114.58 124.37 1xck h GLU 386 Ca -0.38 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1xck h GLU 386 Cb 1.20 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1xck h GLU 386 CO 0.59 0.72 -0.12 0.28 -0.73 0.00 0.00 179.01 179.75 1xck h VAL 387 N 1.04 0.75 -0.65 0.32 2.07 -1.99 -0.36 116.25 117.42 1xck h VAL 387 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1xck h VAL 387 Cb -0.04 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1xck h VAL 387 CO -0.05 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.61 1xck h GLU 388 N -0.33 0.88 0.41 1.57 5.08 -1.92 -1.61 114.58 118.65 1xck h GLU 388 Ca -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 388 Cb 0.26 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xck h GLU 388 CO 0.04 0.61 -0.34 1.98 -1.00 0.00 0.00 179.01 180.30 1xck h MET 389 N 0.88 -0.73 -0.60 2.33 4.05 -0.99 0.13 114.93 120.00 1xck h MET 389 Ca 0.23 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.77 1xck h MET 389 Cb -0.05 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1xck h MET 389 CO -0.05 -0.49 0.40 0.87 0.23 0.00 0.00 176.91 177.87 1xck h LYS 390 N -0.76 0.54 0.32 0.39 1.79 -0.96 0.48 116.57 118.38 1xck h LYS 390 Ca -0.04 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1xck h LYS 390 Cb 0.66 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1xck h LYS 390 CO -0.02 0.36 -0.15 1.49 -1.08 0.00 0.00 179.45 180.04 1xck h GLU 391 N 0.56 -0.42 -0.51 3.15 4.22 -0.72 -2.78 114.58 118.08 1xck h GLU 391 Ca 0.26 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.75 1xck h GLU 391 Cb 0.31 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1xck h GLU 391 CO -0.08 -0.09 0.34 -0.22 -2.18 0.00 0.00 179.01 176.78 1xck h LYS 392 N -0.81 0.62 -0.72 1.92 3.64 -0.41 -1.16 116.57 119.65 1xck h LYS 392 Ca -0.04 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1xck h LYS 392 Cb 0.52 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1xck h LYS 392 CO 0.07 0.41 0.44 -0.22 -2.27 0.00 0.00 179.45 177.89 1xck h LYS 393 N 0.64 0.83 -0.56 1.90 3.64 -0.85 0.83 116.57 122.99 1xck h LYS 393 Ca 0.20 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1xck h LYS 393 Cb 0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1xck h LYS 393 CO -0.05 0.55 0.16 0.00 -2.27 0.00 0.00 179.45 177.85 1xck h ALA 394 N 1.31 0.74 -0.14 5.00 0.00 -0.94 -0.49 119.26 124.75 1xck h ALA 394 Ca 0.29 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 394 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xck h ALA 394 CO -0.12 0.42 -0.27 0.00 0.00 0.00 0.00 179.25 179.27 1xck h ARG 395 N 0.79 0.25 -0.23 0.00 3.08 -0.81 -1.64 114.38 115.83 1xck h ARG 395 Ca 0.18 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1xck h ARG 395 Cb 0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xck h ARG 395 CO -0.00 0.51 -0.27 0.28 -1.07 0.00 0.00 179.97 179.41 1xck h VAL 396 N 0.22 1.32 -0.88 2.04 2.07 -0.46 -1.23 116.25 119.33 1xck h VAL 396 Ca 0.03 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1xck h VAL 396 Cb 0.60 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1xck h VAL 396 CO 0.04 0.45 0.57 -0.33 0.02 0.00 0.00 177.57 178.33 1xck h GLU 397 N 0.28 1.09 0.49 1.57 5.08 -0.80 -0.06 114.58 122.23 1xck h GLU 397 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xck h GLU 397 Cb 0.84 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xck h GLU 397 CO 0.07 0.72 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.12 1xck h ASP 398 N 1.12 -0.56 -0.87 1.42 3.32 -1.25 -2.91 116.42 116.69 1xck h ASP 398 Ca 0.35 -0.05 0.25 0.00 0.02 0.00 0.00 57.03 57.59 1xck h ASP 398 Cb -0.02 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1xck h ASP 398 CO -0.11 -0.15 0.62 0.00 -1.72 0.00 0.00 179.24 177.88 1xck h ALA 399 N -0.93 2.75 0.31 3.45 0.00 -1.14 -0.78 119.26 122.92 1xck h ALA 399 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 399 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xck h ALA 399 CO 0.11 -1.01 -0.15 1.25 0.00 0.00 0.00 179.25 179.46 1xck h LEU 400 N 0.05 -0.35 -0.73 0.00 5.85 -0.93 -0.76 115.31 118.44 1xck h LEU 400 Ca 0.42 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1xck h LEU 400 Cb 1.61 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 1xck h LEU 400 CO -0.03 -0.04 0.42 0.45 -0.34 0.00 0.00 178.44 178.90 1xck h HIS 401 N -0.69 0.77 0.19 1.25 3.86 -0.98 1.00 115.15 120.55 1xck h HIS 401 Ca -0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1xck h HIS 401 Cb 0.48 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1xck h HIS 401 CO 0.01 0.36 -0.25 0.00 0.86 0.00 0.00 177.93 178.91 1xck h ALA 402 N 1.37 -0.48 -0.62 2.45 0.00 -1.24 -1.32 119.26 119.43 1xck h ALA 402 Ca 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1xck h ALA 402 Cb 0.21 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xck h ALA 402 CO -0.19 -0.80 0.24 1.15 0.00 0.00 0.00 179.25 179.65 1xck h THR 403 N -0.50 1.22 -0.43 0.00 2.02 -0.74 -0.23 112.91 114.25 1xck h THR 403 Ca 0.01 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.52 1xck h THR 403 Cb 0.49 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1xck h THR 403 CO -0.09 0.28 0.21 -0.09 0.37 0.00 0.00 175.52 176.20 1xck h ARG 404 N 0.90 0.41 -0.20 6.66 1.12 -0.46 0.64 114.38 123.45 1xck h ARG 404 Ca 0.21 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.91 1xck h ARG 404 Cb 0.19 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 1xck h ARG 404 CO -0.02 0.27 -0.48 0.00 -3.11 0.00 0.00 179.97 176.64 1xck h ALA 405 N 1.23 0.81 -0.50 2.80 0.00 -0.78 -2.79 119.26 120.03 1xck h ALA 405 Ca 0.19 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 405 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 405 CO -0.14 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.85 1xck h ALA 406 N 1.07 0.66 -0.34 0.00 0.00 -0.51 -2.23 119.26 117.92 1xck h ALA 406 Ca 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1xck h ALA 406 Cb 0.99 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1xck h ALA 406 CO 0.09 0.41 0.10 0.28 0.00 0.00 0.00 179.25 180.13 1xck h VAL 407 N 0.71 1.15 -0.17 0.00 2.07 -0.79 0.48 116.25 119.70 1xck h VAL 407 Ca 0.15 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1xck h VAL 407 Cb 0.41 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1xck h VAL 407 CO 0.01 0.19 -0.29 -0.33 0.02 0.00 0.00 177.57 177.17 1xck h GLU 408 N 0.48 0.49 0.00 1.57 5.08 -1.17 -3.40 114.58 117.62 1xck h GLU 408 Ca 0.12 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xck h GLU 408 Cb 0.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xck h GLU 408 CO -0.01 0.91 -0.14 0.39 -1.00 0.00 0.00 179.01 179.16 1xck n GLU 409 N -4.38 0.46 0.00 2.33 1.02 -0.88 -5.08 120.64 114.10 1xck n GLU 409 Ca -0.06 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 1xck n GLU 409 Cb 0.47 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.15 -1.96 3.25 0.62 0.00 0.17 -4.45 105.19 102.67 1xck n GLY 410 Ca 0.01 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 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 1.28 0.26 1.61 -7.23 0.47 -0.36 120.40 116.43 1xck s VAL 411 Ca 0.00 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1xck s VAL 411 Cb 0.00 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1xck s VAL 411 CO 0.00 -0.61 0.16 0.68 -0.31 0.00 0.00 175.10 175.02 1xck s VAL 412 N -2.84 0.14 0.32 1.32 -7.23 -0.63 -0.28 120.40 111.20 1xck s VAL 412 Ca 0.14 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.02 1xck s VAL 412 Cb -0.01 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.30 1xck s VAL 412 CO 0.02 0.00 1.56 0.00 -0.31 0.00 0.00 175.10 176.37 1xck s ALA 413 N -3.84 3.69 0.31 1.32 0.00 -1.26 -1.48 121.76 120.49 1xck s ALA 413 Ca 0.38 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1xck s ALA 413 Cb 0.06 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1xck s ALA 413 CO 0.17 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1xck n GLY 414 N 1.58 1.36 2.72 0.00 0.00 0.37 -3.07 105.19 108.14 1xck n GLY 414 Ca 0.06 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1xck n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 415 N 5.00 1.05 2.23 -0.02 0.00 -1.26 -1.71 105.19 110.47 1xck n GLY 415 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.02 0.41 0.14 -0.02 0.00 -1.26 -4.40 105.19 100.03 1xck n GLY 416 Ca -0.11 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 0.63 -0.47 1.61 -1.51 -1.53 -3.23 116.25 111.76 1xck h VAL 417 Ca -0.01 -1.95 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 1xck h VAL 417 Cb 0.24 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1xck h VAL 417 CO 0.01 0.36 0.29 0.00 -1.23 0.00 0.00 177.57 177.00 1xck h ALA 418 N 1.57 0.59 -0.65 5.19 0.00 -1.72 0.57 119.26 124.82 1xck h ALA 418 Ca -0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1xck h ALA 418 Cb 1.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1xck h ALA 418 CO 0.05 0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.40 1xck h LEU 419 N 0.63 1.03 -0.73 0.00 3.38 -1.85 -0.72 115.31 117.05 1xck h LEU 419 Ca 0.17 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1xck h LEU 419 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xck h LEU 419 CO -0.03 1.03 -0.24 -0.29 0.09 0.00 0.00 178.44 178.99 1xck h ILE 420 N 0.99 1.27 0.02 1.22 2.10 -1.50 -1.30 117.51 120.32 1xck h ILE 420 Ca 0.20 -1.34 -0.00 0.00 1.08 0.00 0.00 64.86 64.79 1xck h ILE 420 Cb 0.43 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1xck h ILE 420 CO 0.01 0.44 -0.01 -0.09 -1.08 0.00 0.00 178.15 177.42 1xck h ARG 421 N 0.61 -0.03 -0.75 2.19 9.65 -0.60 -1.63 114.38 123.83 1xck h ARG 421 Ca 0.08 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1xck h ARG 421 Cb 0.74 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 1xck h ARG 421 CO 0.06 0.14 0.46 0.28 2.80 0.00 0.00 179.97 183.71 1xck h VAL 422 N -0.20 1.06 -0.52 0.20 2.07 -1.04 -2.48 116.25 115.34 1xck h VAL 422 Ca -0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1xck h VAL 422 Cb 0.19 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1xck h VAL 422 CO 0.00 0.16 0.16 0.00 0.02 0.00 0.00 177.57 177.92 1xck h ALA 423 N 1.34 0.68 -0.03 1.67 0.00 -1.05 -2.39 119.26 119.49 1xck h ALA 423 Ca 0.32 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 423 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 423 CO -0.14 0.34 0.06 0.66 0.00 0.00 0.00 179.25 180.17 1xck h SER 424 N 0.72 0.00 1.10 0.00 4.64 -0.84 -0.20 113.55 118.97 1xck h SER 424 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xck h SER 424 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1xck h SER 424 CO -0.01 0.00 -0.40 0.11 -0.87 0.00 0.00 176.83 175.66 1xck h LYS 425 N 0.00 0.00 -0.62 4.77 1.57 -1.20 -3.34 116.57 117.76 1xck h LYS 425 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1xck h LYS 425 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1xck h LYS 425 CO -0.00 0.00 0.10 1.28 -0.57 0.00 0.00 179.45 180.26 1xck n LEU 426 N -2.19 5.76 -0.36 2.94 4.77 -0.09 -4.64 117.00 123.19 1xck n LEU 426 Ca 0.04 -3.07 0.10 0.00 -0.03 0.00 0.00 56.01 53.06 1xck n LEU 426 Cb 0.44 -0.70 0.28 0.00 -2.33 0.00 0.00 43.42 41.11 1xck n LEU 426 CO 0.34 0.71 1.21 0.00 -1.33 0.00 0.00 177.39 178.32 1xck h ALA 427 N 3.32 1.59 -0.30 -1.18 0.00 -1.69 -1.57 119.26 119.44 1xck h ALA 427 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 427 Cb 2.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1xck h ALA 427 CO 0.57 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 1xck n ASP 428 N -4.71 1.96 -4.72 0.00 8.00 -1.26 -4.91 116.55 110.91 1xck n ASP 428 Ca 0.21 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 1xck n ASP 428 Cb 0.48 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -1.26 4.38 0.22 0.64 2.96 -0.59 -5.01 118.68 120.01 1xck s LEU 429 Ca 0.29 2.38 0.03 0.00 -0.22 0.00 0.00 54.13 56.61 1xck s LEU 429 Cb 0.16 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1xck s LEU 429 CO 0.22 -0.65 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.46 1xck s ARG 430 N 0.87 1.30 0.00 1.98 1.81 -1.26 -4.96 118.95 118.68 1xck s ARG 430 Ca 0.64 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 1xck s ARG 430 Cb -0.38 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 1xck s ARG 430 CO 0.32 -0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.25 1xck n GLY 431 N -0.39 6.85 0.18 -3.53 0.00 -1.26 -5.01 105.19 102.03 1xck n GLY 431 Ca -0.05 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.00 1xck n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xck h GLN 432 N 0.00 0.00 -3.87 1.61 4.20 -1.99 -3.47 115.11 111.59 1xck h GLN 432 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1xck h GLN 432 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1xck h GLN 432 CO 0.00 0.30 -0.13 0.54 -0.67 0.00 0.00 178.83 178.87 1xck s ASN 433 N -6.32 0.46 0.25 1.46 2.20 -1.26 -5.05 114.94 106.68 1xck s ASN 433 Ca 0.04 -1.27 -0.06 0.00 -0.94 0.00 0.00 52.86 50.64 1xck s ASN 433 Cb 0.07 0.65 0.27 0.00 -2.00 0.00 0.00 41.25 40.24 1xck s ASN 433 CO 0.70 -1.27 1.88 -0.08 -2.94 0.00 0.00 177.10 175.38 1xck h GLU 434 N 2.16 1.21 -0.53 3.55 4.57 -1.99 -1.52 114.58 122.03 1xck h GLU 434 Ca -0.28 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1xck h GLU 434 Cb 1.24 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1xck h GLU 434 CO 0.38 0.87 0.33 -0.44 -1.18 0.00 0.00 179.01 178.97 1xck h ASP 435 N 1.22 0.54 -0.36 1.04 3.32 -1.95 -0.07 116.42 120.15 1xck h ASP 435 Ca 0.31 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1xck h ASP 435 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1xck h ASP 435 CO -0.05 0.38 0.07 1.56 -1.72 0.00 0.00 179.24 179.48 1xck h GLN 436 N 0.65 0.68 -0.80 3.56 4.20 -1.60 -0.44 115.11 121.37 1xck h GLN 436 Ca 0.21 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1xck h GLN 436 Cb -0.01 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1xck h GLN 436 CO -0.08 0.65 0.38 -0.91 -0.67 0.00 0.00 178.83 178.20 1xck h ASN 437 N 0.66 1.05 -0.47 1.46 2.35 -0.25 0.13 115.58 120.51 1xck h ASN 437 Ca 0.14 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1xck h ASN 437 Cb 0.30 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1xck h ASN 437 CO 0.00 0.89 0.15 0.58 -1.65 0.00 0.00 177.43 177.41 1xck h VAL 438 N 1.13 1.22 -0.72 2.81 2.07 -0.32 -1.87 116.25 120.58 1xck h VAL 438 Ca 0.27 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1xck h VAL 438 Cb 0.12 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1xck h VAL 438 CO -0.03 0.27 0.40 1.23 0.02 0.00 0.00 177.57 179.46 1xck h GLY 439 N 0.63 1.06 1.00 2.17 0.00 -0.34 0.21 103.07 107.80 1xck h GLY 439 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xck h GLY 439 CO -0.01 0.16 0.36 -2.22 0.00 0.00 0.00 176.54 174.84 1xck h ILE 440 N 0.73 1.18 -0.35 2.60 2.04 -0.59 -1.97 117.51 121.14 1xck h ILE 440 Ca 0.32 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1xck h ILE 440 Cb 0.22 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1xck h ILE 440 CO -0.19 0.19 -0.11 0.11 0.00 0.00 0.00 178.15 178.14 1xck h LYS 441 N 0.82 0.61 -0.50 2.37 1.79 -0.47 -1.14 116.57 120.05 1xck h LYS 441 Ca 0.22 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xck h LYS 441 Cb -0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1xck h LYS 441 CO -0.04 0.71 0.33 0.28 -1.08 0.00 0.00 179.45 179.65 1xck h VAL 442 N 0.56 1.13 -0.03 0.50 2.07 -0.12 -0.64 116.25 119.72 1xck h VAL 442 Ca 0.10 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1xck h VAL 442 Cb 0.53 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1xck h VAL 442 CO 0.03 0.13 -0.00 0.00 0.02 0.00 0.00 177.57 177.75 1xck h ALA 443 N 1.18 0.04 -0.60 1.67 0.00 -1.00 -1.81 119.26 118.74 1xck h ALA 443 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 443 Cb -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 443 CO -0.04 -0.29 0.39 -0.07 0.00 0.00 0.00 179.25 179.24 1xck h LEU 444 N -0.26 0.69 -0.46 0.00 3.38 -1.11 -1.29 115.31 116.25 1xck h LEU 444 Ca 0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1xck h LEU 444 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xck h LEU 444 CO 0.00 0.51 -0.09 -0.09 0.09 0.00 0.00 178.44 178.86 1xck h ARG 445 N 0.81 0.88 -0.21 1.13 2.43 -1.04 -2.98 114.38 115.39 1xck h ARG 445 Ca 0.22 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1xck h ARG 445 Cb -0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1xck h ARG 445 CO -0.05 0.97 -0.08 0.00 -1.51 0.00 0.00 179.97 179.30 1xck h ALA 446 N 0.89 1.47 0.00 2.80 0.00 -0.39 -2.16 119.26 121.87 1xck h ALA 446 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 446 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xck h ALA 446 CO 0.04 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.33 1xck n MET 447 N -4.28 0.01 0.05 0.00 2.81 -0.59 -0.46 117.12 114.66 1xck n MET 447 Ca 0.00 0.40 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 1xck n MET 447 Cb 0.25 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.44 0.38 -0.07 0.03 1.02 -0.81 -3.68 120.64 116.07 1xck n GLU 448 Ca 0.01 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1xck n GLU 448 Cb 0.03 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 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 2.38 -0.44 -0.00 0.62 0.00 -0.90 -1.69 119.26 119.23 1xck h ALA 449 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 449 Cb 0.81 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1xck h ALA 449 CO 0.00 -0.86 -0.38 -1.35 0.00 0.00 0.00 179.25 176.67 1xck h PRO 450 N -0.38 -0.46 -0.31 0.00 0.11 -1.79 0.22 132.00 129.40 1xck h PRO 450 Ca 0.12 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.33 1xck h PRO 450 Cb 0.59 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 1xck h PRO 450 CO -0.49 -0.30 -0.16 1.25 -0.21 0.00 0.00 178.00 178.09 1xck h LEU 451 N -0.47 -0.54 -0.60 2.35 6.46 -1.69 -0.62 115.31 120.19 1xck h LEU 451 Ca 0.01 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 1xck h LEU 451 Cb 0.51 0.29 -0.07 0.00 -0.73 0.00 0.00 40.66 40.66 1xck h LEU 451 CO -0.25 -0.20 0.23 0.03 -0.62 0.00 0.00 178.44 177.63 1xck h ARG 452 N -0.12 0.41 -0.31 1.25 3.08 -0.95 0.18 114.38 117.92 1xck h ARG 452 Ca 0.16 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xck h ARG 452 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1xck h ARG 452 CO -0.38 0.27 0.19 0.37 -1.07 0.00 0.00 179.97 179.34 1xck h GLN 453 N 0.42 0.42 -0.37 0.04 5.75 0.27 0.77 115.11 122.41 1xck h GLN 453 Ca 0.30 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.82 1xck h GLN 453 Cb 0.36 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1xck h GLN 453 CO -0.30 0.32 0.07 0.82 -2.65 0.00 0.00 178.83 177.09 1xck h ILE 454 N 0.40 0.80 -0.70 2.39 2.04 -0.19 0.12 117.51 122.38 1xck h ILE 454 Ca 0.11 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1xck h ILE 454 Cb 0.00 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1xck h ILE 454 CO -0.02 0.03 0.23 0.58 0.00 0.00 0.00 178.15 178.97 1xck h VAL 455 N 0.19 1.25 -0.43 1.67 2.07 -0.70 -2.17 116.25 118.13 1xck h VAL 455 Ca 0.18 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xck h VAL 455 Cb 0.21 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1xck h VAL 455 CO -0.24 0.33 0.22 0.25 0.02 0.00 0.00 177.57 178.16 1xck h LEU 456 N 1.03 0.55 -1.90 2.57 5.85 0.07 -1.64 115.31 121.85 1xck h LEU 456 Ca 0.23 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xck h LEU 456 Cb 0.27 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1xck h LEU 456 CO -0.01 0.50 -0.06 0.78 -0.34 0.00 0.00 178.44 179.31 1xck h ASN 457 N 0.56 0.00 0.82 1.25 2.35 -0.48 -0.27 115.58 119.81 1xck h ASN 457 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1xck h ASN 457 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1xck h ASN 457 CO -0.02 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1xck n GLY 459 N 1.18 0.32 3.76 0.00 0.00 -0.11 -5.06 105.19 105.27 1xck n GLY 459 Ca 0.08 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1xck n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 460 N -4.05 2.20 -0.56 1.61 0.41 -0.74 -5.04 118.70 112.53 1xck s GLU 460 Ca 0.00 -2.00 -0.24 0.00 -0.41 0.00 0.00 54.97 52.32 1xck s GLU 460 Cb 0.00 -1.89 0.04 0.00 -1.78 0.00 0.00 34.13 30.50 1xck s GLU 460 CO 0.00 -0.24 0.96 -1.21 -0.49 0.00 0.00 175.26 174.28 1xck s GLU 461 N -3.95 3.33 0.23 1.61 2.02 -1.26 -4.30 118.70 116.38 1xck s GLU 461 Ca 0.33 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 54.97 1xck s GLU 461 Cb 0.03 -4.06 0.36 0.00 0.10 0.00 0.00 34.13 30.56 1xck s GLU 461 CO 0.18 -1.52 1.63 -1.35 0.02 0.00 0.00 175.26 174.23 1xck h PRO 462 N 9.34 0.07 -0.64 0.39 0.11 -1.87 -1.67 132.00 137.73 1xck h PRO 462 Ca -0.26 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.88 1xck h PRO 462 Cb 1.07 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1xck h PRO 462 CO 1.10 0.04 0.38 0.77 -0.21 0.00 0.00 178.00 180.08 1xck h SER 463 N 0.07 0.60 0.10 -2.05 0.02 -1.95 0.26 113.55 110.60 1xck h SER 463 Ca 0.37 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1xck h SER 463 Cb 0.62 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1xck h SER 463 CO -0.66 0.41 -0.05 0.58 -1.14 0.00 0.00 176.83 175.97 1xck h VAL 464 N 0.73 1.07 -0.27 2.27 2.07 -1.74 -0.53 116.25 119.85 1xck h VAL 464 Ca 0.27 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1xck h VAL 464 Cb 0.08 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1xck h VAL 464 CO -0.13 0.16 0.15 0.58 0.02 0.00 0.00 177.57 178.35 1xck h VAL 465 N -0.43 1.12 -0.69 2.57 2.07 -1.31 0.03 116.25 119.61 1xck h VAL 465 Ca -0.01 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1xck h VAL 465 Cb 0.36 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1xck h VAL 465 CO 0.02 0.12 0.35 0.00 0.02 0.00 0.00 177.57 178.08 1xck h ALA 466 N 1.04 0.93 0.35 1.67 0.00 -0.47 0.58 119.26 123.36 1xck h ALA 466 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 466 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 466 CO -0.02 -0.03 -0.17 -0.97 0.00 0.00 0.00 179.25 178.07 1xck h ASN 467 N 0.61 -0.40 -0.63 0.00 -1.24 -0.68 -1.35 115.58 111.88 1xck h ASN 467 Ca 0.33 -0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.35 1xck h ASN 467 Cb 0.31 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 1xck h ASN 467 CO -0.24 -0.23 0.37 0.74 -1.29 0.00 0.00 177.43 176.79 1xck h THR 468 N -0.54 1.03 -0.58 -3.57 2.02 -0.50 -2.22 112.91 108.55 1xck h THR 468 Ca -0.05 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1xck h THR 468 Cb 0.41 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1xck h THR 468 CO 0.08 0.13 0.31 0.58 0.37 0.00 0.00 175.52 176.99 1xck h VAL 469 N 0.72 1.19 -0.15 3.16 2.07 -0.77 -2.25 116.25 120.22 1xck h VAL 469 Ca 0.27 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xck h VAL 469 Cb 0.09 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1xck h VAL 469 CO -0.14 0.21 0.10 0.11 0.02 0.00 0.00 177.57 177.88 1xck h LYS 470 N 0.78 0.15 -0.13 1.57 1.57 -0.75 -2.12 116.57 117.64 1xck h LYS 470 Ca 0.20 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1xck h LYS 470 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xck h LYS 470 CO -0.03 0.10 -0.28 0.78 -0.57 0.00 0.00 179.45 179.45 1xck h GLY 471 N 0.16 0.26 0.00 3.86 0.00 -0.82 -3.45 103.07 103.07 1xck h GLY 471 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xck h GLY 471 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.32 1xck n GLY 472 N -0.49 -1.52 3.22 4.60 0.00 -0.80 -5.11 105.19 105.09 1xck n GLY 472 Ca -0.01 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.20 0.32 0.63 1.61 1.01 -1.26 -5.02 116.67 112.76 1xck s ASP 473 Ca 0.00 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 51.86 1xck s ASP 473 Cb 0.00 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.30 1xck s ASP 473 CO 0.00 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1xck n GLY 474 N -0.30 2.46 1.69 0.21 0.00 -1.26 -1.31 105.19 106.67 1xck n GLY 474 Ca 0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1xck n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xck n ASN 475 N 0.87 3.43 -4.69 1.61 4.13 -1.26 -4.89 115.26 114.46 1xck n ASN 475 Ca 0.00 -2.90 -0.42 0.00 1.68 0.00 0.00 54.58 52.94 1xck n ASN 475 Cb 0.00 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.52 1xck n ASN 475 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xck s TYR 476 N -1.84 3.53 0.00 3.10 5.04 -0.43 -0.09 117.35 126.66 1xck s TYR 476 Ca 0.32 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 1xck s TYR 476 Cb 0.27 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.40 1xck s TYR 476 CO 0.06 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.48 1xck n GLY 477 N 3.07 4.00 3.26 8.97 0.00 0.11 -4.67 105.19 119.93 1xck n GLY 477 Ca 0.08 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.11 2.90 -0.85 1.61 5.04 -1.26 -1.67 117.35 121.01 1xck s TYR 478 Ca 0.00 -1.14 -0.24 0.00 -2.44 0.00 0.00 57.07 53.25 1xck s TYR 478 Cb 0.00 -2.05 0.05 0.00 0.35 0.00 0.00 41.96 40.32 1xck s TYR 478 CO 0.00 -0.62 1.28 1.21 -1.34 0.00 0.00 175.55 176.08 1xck s ASN 479 N 1.41 6.34 0.48 4.32 3.84 -0.02 -4.84 114.94 126.47 1xck s ASN 479 Ca 0.05 -1.08 0.19 0.00 0.21 0.00 0.00 52.86 52.23 1xck s ASN 479 Cb -0.14 -2.53 1.20 0.00 -0.55 0.00 0.00 41.25 39.24 1xck s ASN 479 CO -0.06 -1.57 2.00 0.00 -2.79 0.00 0.00 177.10 174.68 1xck h ALA 480 N 9.74 2.21 -0.30 1.71 0.00 -1.94 0.48 119.26 131.17 1xck h ALA 480 Ca -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xck h ALA 480 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1xck h ALA 480 CO 1.30 -0.35 -0.22 0.00 0.00 0.00 0.00 179.25 179.98 1xck h ALA 481 N 1.74 1.06 -0.00 0.00 0.00 -1.95 -3.31 119.26 116.79 1xck h ALA 481 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 481 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xck h ALA 481 CO -0.04 0.57 -0.01 0.25 0.00 0.00 0.00 179.25 180.02 1xck n THR 482 N -4.13 0.00 -2.13 0.00 -2.24 -0.72 -5.00 114.28 100.06 1xck n THR 482 Ca -0.00 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1xck n THR 482 Cb 0.40 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1xck n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xck n GLU 483 N 0.11 -1.54 -4.61 -0.78 1.02 0.16 -4.98 120.64 110.02 1xck n GLU 483 Ca 0.02 1.05 -0.34 0.00 -0.02 0.00 0.00 57.16 57.87 1xck n GLU 483 Cb 0.08 -5.58 -0.12 0.00 -0.02 0.00 0.00 31.44 25.80 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 -4.60 3.06 0.21 3.49 0.41 -1.18 -4.91 118.70 115.18 1xck s GLU 484 Ca 0.00 -0.57 -0.07 0.00 -0.41 0.00 0.00 54.97 53.91 1xck s GLU 484 Cb 0.00 -2.66 -0.06 0.00 -1.78 0.00 0.00 34.13 29.62 1xck s GLU 484 CO 0.00 0.48 0.49 0.71 -0.49 0.00 0.00 175.26 176.46 1xck s TYR 485 N -0.33 3.45 -3.03 1.61 1.51 -1.26 -0.84 117.35 118.46 1xck s TYR 485 Ca 0.04 0.74 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 1xck s TYR 485 Cb -0.13 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1xck s TYR 485 CO 0.02 0.31 0.00 0.41 -1.11 0.00 0.00 175.55 175.18 1xck n GLY 486 N -0.16 -0.90 3.63 0.71 0.00 -0.67 -4.95 105.19 102.85 1xck n GLY 486 Ca -0.01 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 6.84 0.21 1.61 3.84 -1.26 0.10 114.94 122.27 1xck s ASN 487 Ca 0.00 1.03 -0.09 0.00 0.21 0.00 0.00 52.86 54.01 1xck s ASN 487 Cb 0.00 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.44 1xck s ASN 487 CO 0.00 -0.97 1.76 0.24 -2.79 0.00 0.00 177.10 175.34 1xck h MET 488 N 8.51 0.46 -0.20 0.43 2.86 -0.81 -1.13 114.93 125.05 1xck h MET 488 Ca -0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1xck h MET 488 Cb 1.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1xck h MET 488 CO 1.04 0.30 0.11 0.82 1.06 0.00 0.00 176.91 180.25 1xck h ILE 489 N 0.47 1.11 -1.00 -1.22 1.08 -1.76 0.14 117.51 116.34 1xck h ILE 489 Ca 0.31 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1xck h ILE 489 Cb 0.35 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 1xck h ILE 489 CO -0.28 0.11 0.66 0.44 -0.69 0.00 0.00 178.15 178.38 1xck h ASP 490 N 0.22 1.11 0.00 1.72 3.32 -1.83 0.15 116.42 121.11 1xck h ASP 490 Ca 0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xck h ASP 490 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1xck h ASP 490 CO -0.01 0.77 0.00 0.23 -1.72 0.00 0.00 179.24 178.51 1xck n MET 491 N -4.42 0.85 -2.12 3.56 2.81 -0.47 -4.86 117.12 112.48 1xck n MET 491 Ca 0.13 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1xck n MET 491 Cb 0.07 -1.19 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.49 0.06 3.05 3.03 0.00 0.52 -4.99 105.19 107.36 1xck n GLY 492 Ca 0.08 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.61 3.27 0.29 -0.61 1.01 -0.01 -5.01 121.20 117.52 1xck s ILE 493 Ca 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 60.65 57.74 1xck s ILE 493 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1xck s ILE 493 CO 0.00 -0.82 0.14 -1.48 0.00 0.00 0.00 174.94 172.78 1xck s LEU 494 N 0.04 1.66 -0.00 2.97 0.05 -1.26 -0.48 118.68 121.66 1xck s LEU 494 Ca 0.16 -1.52 -0.01 0.00 0.05 0.00 0.00 54.13 52.81 1xck s LEU 494 Cb -0.22 0.16 -0.00 0.00 -2.05 0.00 0.00 46.19 44.07 1xck s LEU 494 CO -0.03 -0.85 0.02 -1.81 -0.55 0.00 0.00 176.35 173.13 1xck s ASP 495 N -3.36 0.06 0.17 1.48 1.01 -0.55 -4.49 116.67 110.98 1xck s ASP 495 Ca 0.36 -0.14 -0.32 0.00 0.71 0.00 0.00 52.55 53.17 1xck s ASP 495 Cb 0.06 0.08 -0.11 0.00 1.01 0.00 0.00 42.92 43.96 1xck s ASP 495 CO 0.16 -0.13 1.66 -2.84 0.21 0.00 0.00 175.17 174.23 1xck s PRO 496 N -0.55 4.17 0.51 8.23 0.02 -1.26 -1.61 135.00 144.51 1xck s PRO 496 Ca -0.06 2.47 0.33 0.00 0.02 0.00 0.00 61.00 63.77 1xck s PRO 496 Cb -0.04 -3.20 1.47 0.00 0.02 0.00 0.00 34.50 32.74 1xck s PRO 496 CO -0.00 -0.69 1.77 1.15 -0.33 0.00 0.00 177.00 178.90 1xck h THR 497 N 4.07 0.39 -0.55 0.99 2.02 -0.92 0.30 112.91 119.22 1xck h THR 497 Ca -0.43 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1xck h THR 497 Cb 1.20 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1xck h THR 497 CO 0.93 0.02 0.11 0.50 0.37 0.00 0.00 175.52 177.45 1xck h LYS 498 N 0.09 0.86 -0.21 6.66 3.64 -1.81 -1.13 116.57 124.67 1xck h LYS 498 Ca 0.61 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1xck h LYS 498 Cb 2.23 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1xck h LYS 498 CO -0.09 0.79 -0.34 -0.39 -2.27 0.00 0.00 179.45 177.15 1xck h VAL 499 N 0.82 1.33 -0.12 2.00 -1.51 -0.71 -1.11 116.25 116.94 1xck h VAL 499 Ca 0.18 -1.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.08 1xck h VAL 499 Cb 0.34 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1xck h VAL 499 CO 0.00 0.48 0.06 0.74 -1.23 0.00 0.00 177.57 177.62 1xck h THR 500 N 0.28 1.12 -0.32 7.19 2.02 -1.44 0.11 112.91 121.86 1xck h THR 500 Ca 0.02 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1xck h THR 500 Cb 0.93 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1xck h THR 500 CO 0.08 0.11 0.06 -0.09 0.37 0.00 0.00 175.52 176.05 1xck h ARG 501 N 0.07 0.16 0.19 6.66 2.43 -1.21 -1.76 114.38 120.92 1xck h ARG 501 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1xck h ARG 501 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1xck h ARG 501 CO -0.01 0.11 -0.09 0.77 -1.51 0.00 0.00 179.97 179.24 1xck h SER 502 N 0.17 -0.21 -0.59 -3.80 0.02 -0.95 -1.15 113.55 107.04 1xck h SER 502 Ca 0.15 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1xck h SER 502 Cb 0.17 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 1xck h SER 502 CO -0.20 -0.15 0.15 0.00 -1.14 0.00 0.00 176.83 175.49 1xck h ALA 503 N 0.56 0.71 0.24 3.77 0.00 -0.57 0.28 119.26 124.25 1xck h ALA 503 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 503 Cb 0.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xck h ALA 503 CO 0.04 -0.27 -0.12 1.25 0.00 0.00 0.00 179.25 180.15 1xck h LEU 504 N 0.30 -0.27 -0.67 0.00 5.85 -1.15 -1.54 115.31 117.83 1xck h LEU 504 Ca 0.30 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1xck h LEU 504 Cb 0.42 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1xck h LEU 504 CO -0.36 0.02 0.40 1.56 -0.34 0.00 0.00 178.44 179.72 1xck h GLN 505 N -0.58 0.76 -0.47 1.25 4.20 -0.93 0.39 115.11 119.72 1xck h GLN 505 Ca -0.03 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1xck h GLN 505 Cb 0.42 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1xck h GLN 505 CO 0.05 0.50 -0.07 1.88 -0.67 0.00 0.00 178.83 180.53 1xck h TYR 506 N 0.78 0.98 0.41 2.96 0.05 -0.96 -0.94 116.97 120.25 1xck h TYR 506 Ca 0.28 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1xck h TYR 506 Cb 0.06 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1xck h TYR 506 CO -0.05 0.95 -0.20 0.00 -1.05 0.00 0.00 178.16 177.81 1xck h ALA 507 N 0.90 -0.55 -0.35 3.88 0.00 -0.91 -2.27 119.26 119.96 1xck h ALA 507 Ca 0.13 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 507 Cb 0.60 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xck h ALA 507 CO 0.04 -0.77 0.26 0.00 0.00 0.00 0.00 179.25 178.78 1xck h ALA 508 N -0.06 2.28 0.51 0.00 0.00 -0.88 -0.53 119.26 120.58 1xck h ALA 508 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 508 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xck h ALA 508 CO 0.09 -0.44 -0.24 1.03 0.00 0.00 0.00 179.25 179.69 1xck h SER 509 N 0.00 -0.58 -0.18 0.00 0.87 -0.61 -0.94 113.55 112.11 1xck h SER 509 Ca 0.17 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1xck h SER 509 Cb 0.69 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1xck h SER 509 CO -0.00 -0.22 -0.20 1.62 -0.53 0.00 0.00 176.83 177.50 1xck h VAL 510 N -0.99 1.26 -0.78 2.23 3.04 -1.17 -2.34 116.25 117.49 1xck h VAL 510 Ca -0.07 -1.24 -0.04 0.00 -1.01 0.00 0.00 66.70 64.35 1xck h VAL 510 Cb 0.61 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1xck h VAL 510 CO 0.11 0.41 0.34 0.00 -1.01 0.00 0.00 177.57 177.42 1xck h ALA 511 N 1.24 1.01 -0.65 3.17 0.00 -1.13 -1.52 119.26 121.37 1xck h ALA 511 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xck h ALA 511 Cb 0.65 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1xck h ALA 511 CO 0.05 0.61 0.21 0.78 0.00 0.00 0.00 179.25 180.90 1xck h GLY 512 N 1.12 1.06 0.98 0.00 0.00 -0.93 -1.84 103.07 103.45 1xck h GLY 512 Ca 0.26 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1xck h GLY 512 CO -0.03 0.56 0.01 1.41 0.00 0.00 0.00 176.54 178.49 1xck h LEU 513 N 0.95 0.77 -0.33 3.11 3.38 -0.85 -2.77 115.31 119.57 1xck h LEU 513 Ca 0.21 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1xck h LEU 513 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xck h LEU 513 CO -0.01 0.88 -0.07 0.24 0.09 0.00 0.00 178.44 179.57 1xck h MET 514 N 0.63 0.62 -0.16 1.13 2.86 -1.12 -2.69 114.93 116.20 1xck h MET 514 Ca 0.13 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1xck h MET 514 Cb 0.48 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1xck h MET 514 CO 0.02 0.79 0.13 0.82 1.06 0.00 0.00 176.91 179.74 1xck h ILE 515 N 0.40 0.74 -0.79 -1.22 2.04 -1.32 -1.07 117.51 116.30 1xck h ILE 515 Ca 0.08 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.57 1xck h ILE 515 Cb 0.56 0.90 -0.22 0.00 -0.74 0.00 0.00 36.82 37.32 1xck h ILE 515 CO 0.03 0.00 0.41 0.35 0.00 0.00 0.00 178.15 178.94 1xck n THR 516 N -4.22 3.00 -3.97 -0.27 -2.24 -1.03 -4.81 114.28 100.73 1xck n THR 516 Ca 0.01 -2.03 -0.35 0.00 -2.27 0.00 0.00 64.05 59.41 1xck n THR 516 Cb 0.26 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.22 4.89 -0.08 4.28 2.01 -0.41 -4.97 115.64 118.15 1xck s THR 517 Ca 0.54 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1xck s THR 517 Cb 0.45 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.67 1xck s THR 517 CO 0.09 0.47 0.17 -0.62 -0.69 0.00 0.00 174.62 174.04 1xck n GLU 518 N 3.42 1.37 -3.85 4.92 -0.58 -1.26 -4.81 120.64 119.85 1xck n GLU 518 Ca -0.17 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.41 1xck n GLU 518 Cb 0.52 -1.06 -0.11 0.00 -0.57 0.00 0.00 31.44 30.22 1xck n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xck s MET 520 N -0.82 0.84 -0.14 0.00 -1.94 -0.36 -5.00 119.30 111.87 1xck s MET 520 Ca -0.09 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 1xck s MET 520 Cb -0.05 -0.81 0.01 0.00 2.01 0.00 0.00 34.83 35.99 1xck s MET 520 CO 0.01 -0.02 -0.19 0.08 -0.01 0.00 0.00 175.02 174.89 1xck s VAL 521 N 0.65 1.88 0.24 -6.03 1.01 -1.26 -1.31 120.40 115.58 1xck s VAL 521 Ca -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1xck s VAL 521 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1xck s VAL 521 CO 0.00 0.51 0.25 0.28 0.00 0.00 0.00 175.10 176.15 1xck s THR 522 N 0.97 0.00 0.66 3.92 -1.32 -0.90 -4.98 115.64 113.99 1xck s THR 522 Ca -0.05 -1.85 -0.12 0.00 -1.21 0.00 0.00 61.69 58.47 1xck s THR 522 Cb -0.15 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1xck s THR 522 CO -0.04 0.00 1.05 -1.81 -2.21 0.00 0.00 174.62 171.61 1xck s ASP 523 N -3.17 5.60 0.07 8.08 1.11 -1.26 -0.12 116.67 126.98 1xck s ASP 523 Ca 0.35 1.62 -0.30 0.00 0.18 0.00 0.00 52.55 54.40 1xck s ASP 523 Cb 0.04 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.48 1xck s ASP 523 CO 0.15 -1.30 1.10 -0.22 1.18 0.00 0.00 175.17 176.08 1xck s LEU 524 N -5.28 4.40 0.00 1.23 2.96 -1.18 -4.51 118.68 116.31 1xck s LEU 524 Ca 0.59 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1xck s LEU 524 Cb -0.14 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1xck s LEU 524 CO 0.51 -0.33 0.23 -0.81 -1.32 0.00 0.00 176.35 174.64