#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 1.11 -2.45 0.00 0.00 -1.26 -4.95 120.51 112.95 1xck n ALA 3 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1xck n ALA 3 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1xck n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xck s LYS 4 N -0.28 2.68 -0.21 0.00 -0.14 -1.26 -3.10 119.74 117.43 1xck s LYS 4 Ca 0.69 -1.34 -0.01 0.00 -1.36 0.00 0.00 55.97 53.96 1xck s LYS 4 Cb -0.66 -2.45 0.02 0.00 -1.68 0.00 0.00 37.83 33.06 1xck s LYS 4 CO 0.49 0.05 -0.13 0.34 -0.76 0.00 0.00 175.35 175.34 1xck s ASP 5 N -4.01 3.76 -0.14 2.83 -1.08 0.19 -4.75 116.67 113.46 1xck s ASP 5 Ca 0.42 -0.70 -0.01 0.00 -0.52 0.00 0.00 52.55 51.75 1xck s ASP 5 Cb -0.05 -1.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.81 1xck s ASP 5 CO 0.27 -0.05 -0.12 -0.69 0.52 0.00 0.00 175.17 175.10 1xck s VAL 6 N 1.33 3.12 0.08 1.11 1.01 -1.26 -1.97 120.40 123.82 1xck s VAL 6 Ca 0.03 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1xck s VAL 6 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1xck s VAL 6 CO -0.08 0.51 -0.26 -0.54 0.00 0.00 0.00 175.10 174.73 1xck s LYS 7 N 0.51 1.60 0.34 2.72 1.02 -0.38 -4.98 119.74 120.58 1xck s LYS 7 Ca -0.08 -1.21 0.08 0.00 0.02 0.00 0.00 55.97 54.79 1xck s LYS 7 Cb -0.16 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 1xck s LYS 7 CO 0.04 0.48 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.82 1xck s PHE 8 N -0.92 2.33 0.00 3.18 0.08 -1.26 -0.91 117.98 120.48 1xck s PHE 8 Ca 0.12 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.60 1xck s PHE 8 Cb -0.10 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1xck s PHE 8 CO 0.04 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1xck n GLY 9 N -0.78 1.14 0.30 4.36 0.00 0.12 -2.06 105.19 108.27 1xck n GLY 9 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.39 -0.96 1.61 -0.73 -1.93 -0.74 115.58 113.22 1xck h ASN 10 Ca 0.00 0.11 0.08 0.00 1.87 0.00 0.00 56.30 58.36 1xck h ASN 10 Cb 0.00 0.07 -0.07 0.00 0.27 0.00 0.00 38.32 38.59 1xck h ASN 10 CO 0.00 0.13 0.61 -0.78 -0.37 0.00 0.00 177.43 177.02 1xck h ASP 11 N 0.51 0.95 -0.03 1.15 3.58 -1.87 -0.87 116.42 119.83 1xck h ASP 11 Ca 0.47 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1xck h ASP 11 Cb 0.75 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 1xck h ASP 11 CO -0.42 0.58 -0.03 0.00 -2.88 0.00 0.00 179.24 176.49 1xck h ALA 12 N 1.46 0.04 -0.94 -0.78 0.00 -0.58 -3.19 119.26 115.28 1xck h ALA 12 Ca 0.43 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xck h ALA 12 Cb 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1xck h ALA 12 CO -0.20 -0.19 0.61 0.00 0.00 0.00 0.00 179.25 179.48 1xck h ARG 13 N -0.40 1.14 -0.73 0.00 3.08 -0.76 -1.58 114.38 115.13 1xck h ARG 13 Ca 0.00 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1xck h ARG 13 Cb 0.53 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1xck h ARG 13 CO 0.01 0.75 0.23 -0.39 -1.07 0.00 0.00 179.97 179.51 1xck h VAL 14 N 1.17 1.26 -0.28 2.04 -1.51 -1.25 -1.00 116.25 116.68 1xck h VAL 14 Ca 0.37 -0.89 0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1xck h VAL 14 Cb 0.02 0.44 -0.03 0.00 -2.13 0.00 0.00 31.29 29.59 1xck h VAL 14 CO -0.11 0.35 0.08 0.11 -1.23 0.00 0.00 177.57 176.76 1xck h LYS 15 N 1.08 0.19 0.22 5.19 1.79 -1.31 0.82 116.57 124.55 1xck h LYS 15 Ca 0.24 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1xck h LYS 15 Cb 0.29 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1xck h LYS 15 CO -0.01 0.12 -0.15 0.52 -1.08 0.00 0.00 179.45 178.85 1xck h MET 16 N 0.19 -0.36 -0.24 3.15 2.86 -0.90 -1.60 114.93 118.04 1xck h MET 16 Ca 0.13 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1xck h MET 16 Cb 0.11 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1xck h MET 16 CO -0.14 -0.24 -0.19 1.25 1.06 0.00 0.00 176.91 178.65 1xck h LEU 17 N -0.37 -0.62 -0.80 1.22 5.85 -0.89 -0.08 115.31 119.63 1xck h LEU 17 Ca -0.01 0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1xck h LEU 17 Cb 0.32 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 1xck h LEU 17 CO 0.00 -0.23 0.31 -0.09 -0.34 0.00 0.00 178.44 178.09 1xck h ARG 18 N -0.19 0.39 -0.33 1.25 9.65 -0.67 0.17 114.38 124.66 1xck h ARG 18 Ca 0.13 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 1xck h ARG 18 Cb 0.39 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1xck h ARG 18 CO -0.35 0.26 -0.06 0.78 2.80 0.00 0.00 179.97 183.41 1xck h GLY 19 N 0.41 0.68 2.00 2.80 0.00 -0.09 -2.79 103.07 106.07 1xck h GLY 19 Ca 0.46 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1xck h GLY 19 CO -0.46 0.49 -0.15 -0.39 0.00 0.00 0.00 176.54 176.04 1xck h VAL 20 N 0.41 0.35 -0.52 4.60 -1.51 -0.19 -2.86 116.25 116.54 1xck h VAL 20 Ca 0.09 -0.95 -0.11 0.00 -1.23 0.00 0.00 66.70 64.49 1xck h VAL 20 Cb 0.54 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1xck h VAL 20 CO 0.03 0.14 -0.11 0.78 -1.23 0.00 0.00 177.57 177.18 1xck h ASN 21 N 0.00 0.97 -0.06 4.19 2.35 -0.43 0.23 115.58 122.83 1xck h ASN 21 Ca -0.00 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1xck h ASN 21 Cb 0.71 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1xck h ASN 21 CO 0.02 1.09 0.02 0.58 -1.65 0.00 0.00 177.43 177.48 1xck h VAL 22 N 0.87 1.16 0.38 2.81 2.07 -1.28 0.20 116.25 122.46 1xck h VAL 22 Ca 0.14 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xck h VAL 22 Cb 0.66 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1xck h VAL 22 CO 0.05 0.14 -0.28 0.25 0.02 0.00 0.00 177.57 177.74 1xck h LEU 23 N -0.09 -0.73 -0.48 2.57 5.85 -1.36 -1.55 115.31 119.52 1xck h LEU 23 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xck h LEU 23 Cb 0.20 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1xck h LEU 23 CO -0.00 -0.43 0.30 0.00 -0.34 0.00 0.00 178.44 177.98 1xck h ALA 24 N -0.12 0.61 -0.58 1.25 0.00 -0.49 -1.46 119.26 118.47 1xck h ALA 24 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xck h ALA 24 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xck h ALA 24 CO 0.01 0.08 0.22 -0.44 0.00 0.00 0.00 179.25 179.11 1xck h ASP 25 N 0.65 0.78 -0.45 0.00 3.32 -0.52 0.24 116.42 120.44 1xck h ASP 25 Ca 0.17 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1xck h ASP 25 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1xck h ASP 25 CO -0.04 0.71 -0.20 0.00 -1.72 0.00 0.00 179.24 177.99 1xck h ALA 26 N 1.40 0.63 0.15 3.45 0.00 -0.96 -3.33 119.26 120.60 1xck h ALA 26 Ca 0.20 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1xck h ALA 26 Cb 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xck h ALA 26 CO -0.02 0.60 -1.02 0.28 0.00 0.00 0.00 179.25 179.10 1xck h VAL 27 N 0.77 1.41 0.00 0.00 2.07 -0.88 -3.36 116.25 116.26 1xck h VAL 27 Ca 0.10 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1xck h VAL 27 Cb 0.77 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1xck h VAL 27 CO 0.06 0.73 0.00 0.07 0.02 0.00 0.00 177.57 178.45 1xck h LYS 28 N -0.10 0.00 0.00 1.57 2.10 -0.63 -2.39 116.57 117.13 1xck h LYS 28 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1xck h LYS 28 Cb 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1xck h LYS 28 CO 0.19 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.97 1xck n VAL 29 N -2.47 0.29 0.52 0.07 0.24 -1.25 -2.51 118.33 113.22 1xck n VAL 29 Ca -0.01 0.07 0.11 0.00 -2.04 0.00 0.00 64.34 62.47 1xck n VAL 29 Cb 0.11 -0.75 -0.13 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 -1.21 0.01 -1.72 3.34 -2.24 -0.90 0.14 114.28 111.70 1xck n THR 30 Ca 0.11 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1xck n THR 30 Cb 0.14 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.87 4.03 0.00 3.22 7.94 -1.04 -4.28 117.00 125.00 1xck n LEU 31 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1xck n LEU 31 Cb 0.44 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1xck n LEU 31 CO 0.44 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 1xck n GLY 32 N 2.47 -2.56 0.01 -3.96 0.00 -1.26 -3.96 105.19 95.92 1xck n GLY 32 Ca 0.10 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.63 0.11 -0.69 1.61 -0.04 -1.26 -3.31 135.00 130.79 1xck n PRO 33 Ca 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1xck n PRO 33 Cb 0.00 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.43 2.51 -1.78 0.54 4.76 -1.26 -5.03 118.16 116.47 1xck n LYS 34 Ca 0.08 -3.01 -0.38 0.00 -2.87 0.00 0.00 58.31 52.13 1xck n LYS 34 Cb 0.32 -1.89 0.05 0.00 -1.84 0.00 0.00 35.03 31.67 1xck n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xck s GLY 35 N -2.07 2.88 0.76 0.72 0.00 -1.21 -4.61 107.32 103.79 1xck s GLY 35 Ca 0.45 1.30 -0.06 0.00 0.00 0.00 0.00 44.72 46.42 1xck s GLY 35 CO 0.06 1.80 1.06 0.50 0.00 0.00 0.00 173.10 176.51 1xck s ARG 36 N -3.02 1.67 0.04 2.90 1.81 0.37 -4.91 118.95 117.81 1xck s ARG 36 Ca 0.74 -0.67 -0.09 0.00 -1.72 0.00 0.00 55.73 53.99 1xck s ARG 36 Cb -0.40 -2.19 -0.05 0.00 -0.45 0.00 0.00 34.95 31.86 1xck s ARG 36 CO 0.46 -1.54 0.35 -0.80 -0.68 0.00 0.00 175.30 173.08 1xck s ASN 37 N -4.68 6.60 -0.09 0.23 0.02 -1.26 -4.43 114.94 111.33 1xck s ASN 37 Ca 0.65 0.72 0.04 0.00 -1.02 0.00 0.00 52.86 53.26 1xck s ASN 37 Cb -0.07 -2.15 -0.00 0.00 0.02 0.00 0.00 41.25 39.05 1xck s ASN 37 CO 0.46 0.22 -0.23 -0.69 0.02 0.00 0.00 177.10 176.88 1xck s VAL 38 N -1.32 1.99 -0.29 1.60 1.01 0.63 -4.93 120.40 119.10 1xck s VAL 38 Ca 0.29 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1xck s VAL 38 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xck s VAL 38 CO 0.16 0.55 0.27 -0.69 0.00 0.00 0.00 175.10 175.38 1xck s VAL 39 N 0.31 5.25 -0.26 2.92 1.01 -1.26 -1.29 120.40 127.08 1xck s VAL 39 Ca -0.17 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1xck s VAL 39 Cb -0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1xck s VAL 39 CO 0.08 0.17 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 1xck s LEU 40 N 1.87 3.51 0.15 3.92 1.43 0.81 -4.93 118.68 125.44 1xck s LEU 40 Ca 0.10 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 1xck s LEU 40 Cb -0.16 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1xck s LEU 40 CO 0.11 -0.05 0.97 -0.62 0.23 0.00 0.00 176.35 176.99 1xck s ASP 41 N 1.61 7.51 -0.09 2.29 2.15 -1.26 -0.39 116.67 128.49 1xck s ASP 41 Ca 0.06 1.86 0.03 0.00 0.43 0.00 0.00 52.55 54.93 1xck s ASP 41 Cb -0.15 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.86 1xck s ASP 41 CO 0.04 -0.03 -0.19 -0.54 -0.17 0.00 0.00 175.17 174.27 1xck s LYS 42 N -0.31 2.94 0.51 4.34 1.02 -1.26 -4.95 119.74 122.03 1xck s LYS 42 Ca 0.46 -0.80 0.28 0.00 0.02 0.00 0.00 55.97 55.93 1xck s LYS 42 Cb -0.25 -2.38 1.39 0.00 -0.52 0.00 0.00 37.83 36.07 1xck s LYS 42 CO 0.31 0.31 1.89 0.66 -0.92 0.00 0.00 175.35 177.59 1xck h SER 43 N 6.34 0.10 -3.58 2.83 4.64 -1.96 -3.39 113.55 118.52 1xck h SER 43 Ca -0.28 0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.40 1xck h SER 43 Cb 1.20 -0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1xck h SER 43 CO 0.50 0.04 -0.64 -0.36 -0.87 0.00 0.00 176.83 175.50 1xck s PHE 44 N -5.09 3.06 0.00 4.77 0.08 -1.26 -5.03 117.98 114.52 1xck s PHE 44 Ca -0.06 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1xck s PHE 44 Cb 0.22 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1xck s PHE 44 CO 0.77 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 1xck n GLY 45 N 4.82 -0.25 3.86 4.36 0.00 -1.26 -4.90 105.19 111.82 1xck n GLY 45 Ca -0.17 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.25 3.38 1.04 4.61 0.00 -1.26 -4.86 121.76 123.41 1xck s ALA 46 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1xck s ALA 46 Cb 0.00 -2.69 0.21 0.00 0.00 0.00 0.00 23.12 20.65 1xck s ALA 46 CO 0.00 0.27 1.07 -2.14 0.00 0.00 0.00 175.76 174.96 1xck s PRO 47 N -3.20 0.11 -0.18 0.00 0.02 -1.26 -4.64 135.00 125.85 1xck s PRO 47 Ca 0.52 0.92 -0.08 0.00 0.02 0.00 0.00 61.00 62.39 1xck s PRO 47 Cb -0.10 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 1xck s PRO 47 CO 0.22 -3.06 0.08 0.99 -0.33 0.00 0.00 177.00 174.90 1xck s THR 48 N -2.67 4.94 -0.16 0.99 2.01 0.48 -4.94 115.64 116.30 1xck s THR 48 Ca 0.67 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.63 1xck s THR 48 Cb -0.22 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1xck s THR 48 CO 0.61 0.46 0.04 -0.63 -0.69 0.00 0.00 174.62 174.41 1xck s ILE 49 N 0.30 4.63 0.11 1.82 1.01 -1.26 -0.14 121.20 127.67 1xck s ILE 49 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1xck s ILE 49 Cb -0.12 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1xck s ILE 49 CO -0.00 0.50 0.26 0.28 0.00 0.00 0.00 174.94 175.98 1xck s THR 50 N 0.06 0.11 -0.04 2.92 -1.32 -0.41 -4.96 115.64 112.01 1xck s THR 50 Ca 0.04 -1.03 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 1xck s THR 50 Cb -0.12 -1.35 0.08 0.00 -1.51 0.00 0.00 72.50 69.60 1xck s THR 50 CO 0.01 -0.52 0.98 0.29 -2.21 0.00 0.00 174.62 173.17 1xck n LYS 51 N -0.12 1.95 -3.09 7.08 5.02 -1.26 -0.27 118.16 127.46 1xck n LYS 51 Ca -0.14 -1.64 -0.43 0.00 -2.02 0.00 0.00 58.31 54.07 1xck n LYS 51 Cb 0.63 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.53 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -1.40 6.28 0.46 4.39 2.15 -1.26 -4.82 116.67 122.48 1xck s ASP 52 Ca 0.09 -0.57 0.18 0.00 0.43 0.00 0.00 52.55 52.68 1xck s ASP 52 Cb 0.08 -2.32 1.15 0.00 -0.30 0.00 0.00 42.92 41.53 1xck s ASP 52 CO 0.01 -0.88 1.97 1.23 -0.17 0.00 0.00 175.17 177.32 1xck h GLY 53 N 9.87 0.44 1.16 2.66 0.00 -1.93 -1.22 103.07 114.05 1xck h GLY 53 Ca -0.26 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1xck h GLY 53 CO 0.95 0.05 -0.13 -2.08 0.00 0.00 0.00 176.54 175.33 1xck h VAL 54 N 0.28 1.27 -0.14 4.60 2.07 -1.97 -0.06 116.25 122.30 1xck h VAL 54 Ca 0.30 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1xck h VAL 54 Cb 0.78 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1xck h VAL 54 CO -0.07 0.45 0.01 0.28 0.02 0.00 0.00 177.57 178.26 1xck h SER 55 N 0.87 0.24 0.10 0.57 0.02 -1.67 -2.08 113.55 111.60 1xck h SER 55 Ca 0.13 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1xck h SER 55 Cb 0.69 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1xck h SER 55 CO 0.05 0.48 -0.15 0.58 -1.14 0.00 0.00 176.83 176.65 1xck h VAL 56 N -0.00 0.66 -0.96 2.27 2.07 -1.31 -2.67 116.25 116.30 1xck h VAL 56 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 1xck h VAL 56 Cb 0.35 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 1xck h VAL 56 CO 0.01 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.18 1xck h ALA 57 N 0.56 1.46 -0.94 1.67 0.00 -0.92 -1.26 119.26 119.83 1xck h ALA 57 Ca 0.02 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 57 Cb 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1xck h ALA 57 CO -0.08 0.14 0.60 -0.09 0.00 0.00 0.00 179.25 179.82 1xck h ARG 58 N 0.90 0.82 0.00 0.00 2.43 -1.02 -1.76 114.38 115.74 1xck h ARG 58 Ca 0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1xck h ARG 58 Cb 0.54 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1xck h ARG 58 CO -0.29 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.10 1xck n GLU 59 N -4.59 0.07 -2.72 0.20 -0.58 -0.48 -4.85 120.64 107.69 1xck n GLU 59 Ca 0.18 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.60 1xck n GLU 59 Cb 0.40 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1xck n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xck s ILE 60 N -3.04 4.68 -0.16 -3.67 -1.09 -0.66 -4.99 121.20 112.27 1xck s ILE 60 Ca 0.12 1.83 -0.07 0.00 -2.23 0.00 0.00 60.65 60.29 1xck s ILE 60 Cb 0.15 -4.28 0.07 0.00 -1.58 0.00 0.00 42.46 36.82 1xck s ILE 60 CO 0.50 -0.22 0.35 -0.70 -1.23 0.00 0.00 174.94 173.63 1xck s GLU 61 N 3.20 0.29 0.10 2.79 2.12 -1.26 -4.90 118.70 121.04 1xck s GLU 61 Ca 0.42 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.54 1xck s GLU 61 Cb -0.14 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1xck s GLU 61 CO 0.08 -0.21 0.26 -0.51 -0.54 0.00 0.00 175.26 174.34 1xck s LEU 62 N 1.88 4.34 0.09 2.70 1.43 -1.26 -5.03 118.68 122.82 1xck s LEU 62 Ca -0.05 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 1xck s LEU 62 Cb -0.10 -2.99 -0.11 0.00 0.03 0.00 0.00 46.19 43.02 1xck s LEU 62 CO -0.11 0.11 1.36 -0.08 0.23 0.00 0.00 176.35 177.86 1xck h GLU 63 N 2.71 0.66 -6.33 1.70 4.81 -2.00 -3.42 114.58 112.71 1xck h GLU 63 Ca -0.46 -0.41 -0.54 0.00 -0.13 0.00 0.00 59.36 57.82 1xck h GLU 63 Cb 1.17 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xck h GLU 63 CO 0.73 1.02 1.05 0.34 -0.73 0.00 0.00 179.01 181.42 1xck s ASP 64 N -6.62 6.65 0.23 1.04 -1.08 -1.26 -4.90 116.67 110.74 1xck s ASP 64 Ca -0.12 2.32 -0.06 0.00 -0.52 0.00 0.00 52.55 54.17 1xck s ASP 64 Cb 0.08 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.38 1xck s ASP 64 CO 0.83 -0.91 1.77 0.11 0.52 0.00 0.00 175.17 177.50 1xck h LYS 65 N 9.15 0.57 0.02 4.34 1.79 -1.94 -0.25 116.57 130.25 1xck h LYS 65 Ca -0.41 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1xck h LYS 65 Cb 1.19 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1xck h LYS 65 CO 0.94 0.38 -0.01 0.74 -1.08 0.00 0.00 179.45 180.42 1xck h PHE 66 N 0.58 -0.02 -0.96 -1.35 0.04 -1.94 -1.91 116.94 111.38 1xck h PHE 66 Ca 0.37 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.22 1xck h PHE 66 Cb 0.44 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.53 1xck h PHE 66 CO -0.11 0.37 0.62 0.93 -0.60 0.00 0.00 178.31 179.51 1xck h GLU 67 N -0.42 1.04 -0.66 1.51 5.08 -1.64 -1.25 114.58 118.24 1xck h GLU 67 Ca -0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 67 Cb 0.40 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xck h GLU 67 CO 0.00 0.69 0.24 -0.97 -1.00 0.00 0.00 179.01 177.97 1xck h ASN 68 N 1.07 0.90 -0.69 1.42 -1.24 -0.90 -2.07 115.58 114.07 1xck h ASN 68 Ca 0.42 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 1xck h ASN 68 Cb 0.24 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1xck h ASN 68 CO -0.17 0.82 0.38 0.24 -1.29 0.00 0.00 177.43 177.41 1xck h MET 69 N 0.96 0.98 -0.30 6.67 2.86 -0.41 0.95 114.93 126.64 1xck h MET 69 Ca 0.22 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1xck h MET 69 Cb 0.22 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1xck h MET 69 CO -0.02 0.72 0.08 0.78 1.06 0.00 0.00 176.91 179.53 1xck h GLY 70 N 1.04 0.50 0.80 8.32 0.00 -0.99 -1.14 103.07 111.60 1xck h GLY 70 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1xck h GLY 70 CO -0.04 0.29 0.02 0.00 0.00 0.00 0.00 176.54 176.81 1xck h ALA 71 N 0.91 0.12 -0.27 3.60 0.00 -0.95 -3.01 119.26 119.66 1xck h ALA 71 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 71 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 71 CO 0.00 -0.24 0.15 1.96 0.00 0.00 0.00 179.25 181.12 1xck h GLN 72 N -0.06 0.36 0.14 0.00 1.08 -0.77 -0.84 115.11 115.02 1xck h GLN 72 Ca 0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1xck h GLN 72 Cb 0.26 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1xck h GLN 72 CO 0.00 0.27 -0.07 0.52 -0.95 0.00 0.00 178.83 178.60 1xck h MET 73 N 0.37 -0.18 -0.03 1.46 2.86 -1.07 -0.79 114.93 117.54 1xck h MET 73 Ca 0.10 0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1xck h MET 73 Cb 0.01 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1xck h MET 73 CO -0.02 0.09 -0.67 -0.39 1.06 0.00 0.00 176.91 176.98 1xck h VAL 74 N -0.45 1.44 -0.51 -2.22 -1.51 -1.43 -2.89 116.25 108.67 1xck h VAL 74 Ca -0.02 -2.21 0.05 0.00 -1.23 0.00 0.00 66.70 63.30 1xck h VAL 74 Cb 0.35 2.17 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 1xck h VAL 74 CO 0.03 0.64 0.24 0.50 -1.23 0.00 0.00 177.57 177.76 1xck h LYS 75 N 0.09 0.46 -0.39 5.19 3.64 -1.10 0.26 116.57 124.73 1xck h LYS 75 Ca -0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1xck h LYS 75 Cb 1.20 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1xck h LYS 75 CO 0.10 0.30 -0.05 1.49 -2.27 0.00 0.00 179.45 179.02 1xck h GLU 76 N 0.47 0.72 -0.23 1.90 4.81 -1.01 -2.16 114.58 119.08 1xck h GLU 76 Ca 0.23 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1xck h GLU 76 Cb 0.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1xck h GLU 76 CO -0.18 0.84 -0.37 0.28 -0.73 0.00 0.00 179.01 178.85 1xck h VAL 77 N 0.53 1.32 -0.25 0.32 2.07 -1.29 -3.11 116.25 115.84 1xck h VAL 77 Ca 0.10 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1xck h VAL 77 Cb 0.54 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1xck h VAL 77 CO 0.03 0.49 0.05 0.00 0.02 0.00 0.00 177.57 178.16 1xck h ALA 78 N 0.63 1.62 -0.19 1.67 0.00 -0.46 -1.41 119.26 121.12 1xck h ALA 78 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 78 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xck h ALA 78 CO 0.08 0.29 -0.04 0.66 0.00 0.00 0.00 179.25 180.25 1xck h SER 79 N 0.36 0.26 -0.08 0.00 4.64 -1.32 -2.05 113.55 115.36 1xck h SER 79 Ca 0.09 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1xck h SER 79 Cb 0.16 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1xck h SER 79 CO -0.00 0.34 -0.02 0.11 -0.87 0.00 0.00 176.83 176.39 1xck h LYS 80 N 0.28 0.27 -0.52 4.77 1.57 -1.24 -1.82 116.57 119.87 1xck h LYS 80 Ca 0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xck h LYS 80 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1xck h LYS 80 CO 0.01 0.32 0.32 0.00 -0.57 0.00 0.00 179.45 179.53 1xck h ALA 81 N 1.72 0.66 -0.63 3.86 0.00 -1.39 0.50 119.26 123.98 1xck h ALA 81 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 81 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 81 CO 0.01 0.14 0.13 -0.97 0.00 0.00 0.00 179.25 178.56 1xck h ASN 82 N 0.70 0.98 -0.58 0.00 -1.24 -1.44 -0.75 115.58 113.25 1xck h ASN 82 Ca 0.19 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 1xck h ASN 82 Cb -0.03 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.74 1xck h ASN 82 CO -0.04 0.97 0.26 0.44 -1.29 0.00 0.00 177.43 177.77 1xck h ASP 83 N 0.94 0.77 -0.21 1.15 3.32 -0.90 0.72 116.42 122.22 1xck h ASP 83 Ca 0.20 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1xck h ASP 83 Cb 0.39 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xck h ASP 83 CO 0.01 0.70 -0.15 0.00 -1.72 0.00 0.00 179.24 178.09 1xck h ALA 84 N 1.10 0.30 0.00 3.45 0.00 -0.64 -3.38 119.26 120.09 1xck h ALA 84 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 84 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xck h ALA 84 CO -0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1xck n ALA 85 N -2.42 2.34 -1.06 0.00 0.00 -0.31 -5.00 120.51 114.05 1xck n ALA 85 Ca -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 1xck n ALA 85 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.16 0.56 3.64 0.00 0.00 0.25 -4.63 105.19 104.85 1xck n GLY 86 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.52 -0.02 0.00 1.61 2.15 -1.23 -4.90 116.67 111.77 1xck s ASP 87 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1xck s ASP 87 Cb 0.00 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1xck s ASP 87 CO 0.00 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1xck n GLY 88 N -0.56 0.52 0.10 2.66 0.00 -1.26 -3.66 105.19 102.98 1xck n GLY 88 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 0.92 -0.48 2.61 2.02 -1.89 0.43 112.91 116.52 1xck h THR 89 Ca 0.00 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xck h THR 89 Cb 0.00 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1xck h THR 89 CO 0.00 0.03 0.32 0.74 0.37 0.00 0.00 175.52 176.98 1xck h THR 90 N -0.21 1.12 0.10 3.16 2.02 -1.90 -1.43 112.91 115.77 1xck h THR 90 Ca -0.02 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1xck h THR 90 Cb 0.17 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1xck h THR 90 CO 0.03 0.12 -0.20 0.74 0.37 0.00 0.00 175.52 176.58 1xck h THR 91 N 0.65 0.55 -0.88 3.16 2.02 -1.94 0.08 112.91 116.55 1xck h THR 91 Ca 0.18 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.50 1xck h THR 91 Cb -0.07 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1xck h THR 91 CO -0.04 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.34 1xck h ALA 92 N 0.45 1.34 0.13 6.16 0.00 -0.69 0.87 119.26 127.52 1xck h ALA 92 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 92 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xck h ALA 92 CO -0.11 -0.02 -0.06 1.15 0.00 0.00 0.00 179.25 180.20 1xck h THR 93 N 0.71 0.95 -0.25 0.00 2.02 -0.48 0.20 112.91 116.06 1xck h THR 93 Ca 0.47 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1xck h THR 93 Cb 0.63 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1xck h THR 93 CO -0.34 0.08 -0.12 -0.37 0.37 0.00 0.00 175.52 175.14 1xck h VAL 94 N -0.33 1.21 -0.12 3.16 -1.51 -0.33 -1.08 116.25 117.26 1xck h VAL 94 Ca -0.02 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.51 1xck h VAL 94 Cb 0.27 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1xck h VAL 94 CO 0.03 0.30 0.04 -0.07 -1.23 0.00 0.00 177.57 176.64 1xck h LEU 95 N 0.39 0.18 -0.60 4.19 3.38 -0.66 -1.71 115.31 120.48 1xck h LEU 95 Ca 0.07 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1xck h LEU 95 Cb 0.45 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1xck h LEU 95 CO 0.03 0.33 0.28 0.00 0.09 0.00 0.00 178.44 179.17 1xck h ALA 96 N 0.85 0.78 -0.50 1.53 0.00 -0.20 0.52 119.26 122.24 1xck h ALA 96 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 96 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 96 CO -0.00 -0.10 0.32 0.37 0.00 0.00 0.00 179.25 179.84 1xck h GLN 97 N 0.51 0.66 -0.18 0.00 4.15 -1.01 0.69 115.11 119.94 1xck h GLN 97 Ca 0.28 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 1xck h GLN 97 Cb 0.26 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1xck h GLN 97 CO -0.23 0.46 0.11 0.00 -1.93 0.00 0.00 178.83 177.24 1xck h ALA 98 N 1.17 0.22 -0.19 3.38 0.00 -0.51 -0.34 119.26 123.00 1xck h ALA 98 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 98 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 98 CO -0.04 -0.27 0.05 0.82 0.00 0.00 0.00 179.25 179.81 1xck h ILE 99 N 0.22 1.20 -0.66 0.00 2.04 -0.67 -2.92 117.51 116.73 1xck h ILE 99 Ca 0.06 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1xck h ILE 99 Cb 0.01 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1xck h ILE 99 CO -0.01 0.20 0.36 0.40 0.00 0.00 0.00 178.15 179.09 1xck h ILE 100 N 0.12 1.21 0.48 -0.67 2.04 -0.76 0.10 117.51 120.04 1xck h ILE 100 Ca 0.06 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1xck h ILE 100 Cb 0.26 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1xck h ILE 100 CO 0.00 0.23 -0.31 0.74 0.00 0.00 0.00 178.15 178.81 1xck h THR 101 N 0.90 0.36 -0.35 -0.27 2.02 -1.05 -0.34 112.91 114.18 1xck h THR 101 Ca 0.23 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.29 1xck h THR 101 Cb 0.05 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1xck h THR 101 CO -0.04 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.24 1xck h GLU 102 N -0.76 0.73 -0.49 6.66 4.39 -1.47 -2.46 114.58 121.18 1xck h GLU 102 Ca -0.05 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.36 1xck h GLU 102 Cb 0.63 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1xck h GLU 102 CO 0.05 0.93 0.27 0.78 -1.16 0.00 0.00 179.01 179.87 1xck h GLY 103 N 0.97 0.69 1.43 -3.84 0.00 -0.67 -1.60 103.07 100.05 1xck h GLY 103 Ca 0.08 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1xck h GLY 103 CO 0.07 0.14 -0.16 1.41 0.00 0.00 0.00 176.54 178.00 1xck h LEU 104 N 0.53 0.66 -0.31 3.11 3.38 -0.93 -1.58 115.31 120.18 1xck h LEU 104 Ca 0.21 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xck h LEU 104 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1xck h LEU 104 CO -0.12 0.84 0.19 0.11 0.09 0.00 0.00 178.44 179.54 1xck h LYS 105 N 0.60 0.38 -0.58 1.13 1.57 -0.97 -0.07 116.57 118.64 1xck h LYS 105 Ca 0.10 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1xck h LYS 105 Cb 0.61 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1xck h LYS 105 CO 0.04 0.25 0.30 0.00 -0.57 0.00 0.00 179.45 179.47 1xck h ALA 106 N 1.12 0.75 -0.52 3.86 0.00 -0.97 -0.44 119.26 123.06 1xck h ALA 106 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 106 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 106 CO -0.04 -0.04 0.34 0.28 0.00 0.00 0.00 179.25 179.79 1xck h VAL 107 N 0.57 1.12 -0.44 0.00 2.07 -0.62 -1.92 116.25 117.03 1xck h VAL 107 Ca 0.26 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1xck h VAL 107 Cb 0.17 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1xck h VAL 107 CO -0.17 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.69 1xck h ALA 108 N 1.20 1.44 0.00 1.67 0.00 -0.38 0.50 119.26 123.69 1xck h ALA 108 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 108 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xck h ALA 108 CO -0.05 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xck n ALA 109 N -2.47 1.76 0.00 0.00 0.00 -0.23 -4.85 120.51 114.73 1xck n ALA 109 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xck n ALA 109 Cb 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.01 0.97 3.83 0.00 0.00 0.17 -5.08 105.19 105.06 1xck n GLY 110 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.95 4.11 -0.02 1.61 1.00 -0.83 -4.99 119.30 119.22 1xck s MET 111 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 55.69 56.43 1xck s MET 111 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 34.83 32.61 1xck s MET 111 CO 0.00 -0.12 1.39 1.21 0.00 0.00 0.00 175.02 177.50 1xck s ASN 112 N -2.54 6.87 0.21 3.03 3.84 -1.26 -4.44 114.94 120.65 1xck s ASN 112 Ca 0.60 2.06 -0.09 0.00 0.21 0.00 0.00 52.86 55.64 1xck s ASN 112 Cb -0.09 -2.56 0.24 0.00 -0.55 0.00 0.00 41.25 38.29 1xck s ASN 112 CO 0.21 -0.72 1.81 -0.65 -2.79 0.00 0.00 177.10 174.95 1xck h PRO 113 N 7.94 0.67 -0.64 0.43 0.11 -1.94 -1.22 132.00 137.34 1xck h PRO 113 Ca -0.37 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1xck h PRO 113 Cb 1.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1xck h PRO 113 CO 0.91 0.44 0.24 0.52 -0.21 0.00 0.00 178.00 179.90 1xck h MET 114 N 0.69 0.95 -0.23 1.05 2.86 -1.91 -1.29 114.93 117.04 1xck h MET 114 Ca 0.30 -0.16 -0.20 0.00 -2.06 0.00 0.00 59.70 57.58 1xck h MET 114 Cb 0.19 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xck h MET 114 CO -0.18 0.79 -0.64 -0.44 1.06 0.00 0.00 176.91 177.49 1xck h ASP 115 N 0.93 0.96 -0.75 1.22 3.32 -1.81 -1.75 116.42 118.55 1xck h ASP 115 Ca 0.22 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1xck h ASP 115 Cb 0.20 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1xck h ASP 115 CO -0.02 1.36 0.48 -0.07 -1.72 0.00 0.00 179.24 179.27 1xck h LEU 116 N 0.62 0.80 -0.33 1.55 3.38 -0.99 -0.46 115.31 119.87 1xck h LEU 116 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xck h LEU 116 Cb 1.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1xck h LEU 116 CO 0.14 0.56 0.03 0.50 0.09 0.00 0.00 178.44 179.76 1xck h LYS 117 N 0.95 0.56 -0.83 1.13 3.64 -1.19 -1.17 116.57 119.66 1xck h LYS 117 Ca 0.29 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xck h LYS 117 Cb -0.02 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1xck h LYS 117 CO -0.10 0.66 0.53 -0.09 -2.27 0.00 0.00 179.45 178.18 1xck h ARG 118 N 0.37 1.11 -0.32 1.90 2.43 -0.85 -0.53 114.38 118.50 1xck h ARG 118 Ca 0.10 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1xck h ARG 118 Cb 0.39 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xck h ARG 118 CO 0.01 0.76 -0.07 0.78 -1.51 0.00 0.00 179.97 179.94 1xck h GLY 119 N 1.15 0.66 0.80 2.80 0.00 -0.92 -0.70 103.07 106.87 1xck h GLY 119 Ca 0.30 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1xck h GLY 119 CO -0.06 0.49 0.31 -2.22 0.00 0.00 0.00 176.54 175.07 1xck h ILE 120 N 0.39 1.02 -0.35 2.60 2.04 -0.69 -1.06 117.51 121.45 1xck h ILE 120 Ca 0.08 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xck h ILE 120 Cb 0.56 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1xck h ILE 120 CO 0.03 0.11 0.15 0.44 0.00 0.00 0.00 178.15 178.88 1xck h ASP 121 N 0.61 0.49 -0.47 1.72 3.32 -0.96 -0.69 116.42 120.45 1xck h ASP 121 Ca 0.23 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xck h ASP 121 Cb 0.08 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1xck h ASP 121 CO -0.13 0.51 0.23 0.50 -1.72 0.00 0.00 179.24 178.64 1xck h LYS 122 N 0.43 0.45 -0.61 3.56 3.64 -0.73 0.99 116.57 124.29 1xck h LYS 122 Ca 0.12 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1xck h LYS 122 Cb 0.18 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1xck h LYS 122 CO -0.01 0.30 0.38 0.00 -2.27 0.00 0.00 179.45 177.84 1xck h ALA 123 N 1.25 0.79 -0.57 5.00 0.00 -0.92 -1.50 119.26 123.31 1xck h ALA 123 Ca 0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 123 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xck h ALA 123 CO -0.14 0.12 -0.01 0.28 0.00 0.00 0.00 179.25 179.49 1xck h VAL 124 N 0.74 1.27 -0.89 0.00 2.07 -0.40 0.17 116.25 119.21 1xck h VAL 124 Ca 0.25 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1xck h VAL 124 Cb 0.02 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xck h VAL 124 CO -0.10 0.41 0.58 0.74 0.02 0.00 0.00 177.57 179.22 1xck h THR 125 N 0.91 1.23 -0.38 2.57 2.02 -0.38 0.13 112.91 119.02 1xck h THR 125 Ca 0.16 -0.45 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 1xck h THR 125 Cb 0.56 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1xck h THR 125 CO 0.03 0.23 -0.20 0.00 0.37 0.00 0.00 175.52 175.95 1xck h ALA 126 N 1.32 0.53 -0.69 6.16 0.00 -1.00 -2.84 119.26 122.74 1xck h ALA 126 Ca 0.32 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 126 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1xck h ALA 126 CO -0.07 0.49 0.43 0.00 0.00 0.00 0.00 179.25 180.10 1xck h ALA 127 N 0.79 0.91 -0.65 0.00 0.00 0.16 -0.47 119.26 120.00 1xck h ALA 127 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 127 Cb 0.76 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xck h ALA 127 CO 0.06 0.19 0.21 0.28 0.00 0.00 0.00 179.25 179.99 1xck h VAL 128 N 0.83 1.24 -0.35 0.00 2.07 -0.71 -0.32 116.25 119.02 1xck h VAL 128 Ca 0.28 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 1xck h VAL 128 Cb 0.04 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1xck h VAL 128 CO -0.12 0.32 -0.36 -0.08 0.02 0.00 0.00 177.57 177.35 1xck h GLU 129 N 0.95 0.82 0.00 1.57 4.57 -1.17 -2.41 114.58 118.91 1xck h GLU 129 Ca 0.21 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 1xck h GLU 129 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1xck h GLU 129 CO -0.01 1.04 -0.28 1.49 -1.18 0.00 0.00 179.01 180.07 1xck h GLU 130 N 0.67 0.00 -0.23 1.92 4.57 -0.67 -2.47 114.58 118.37 1xck h GLU 130 Ca 0.06 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 1xck h GLU 130 Cb 0.92 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1xck h GLU 130 CO 0.08 0.28 -0.54 1.25 -1.18 0.00 0.00 179.01 178.91 1xck h LEU 131 N 0.00 0.76 -0.48 1.64 5.85 -0.68 -1.69 115.31 120.70 1xck h LEU 131 Ca -0.00 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1xck h LEU 131 Cb 0.56 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1xck h LEU 131 CO 0.04 1.15 -0.16 0.11 -0.34 0.00 0.00 178.44 179.24 1xck h LYS 132 N 0.53 0.96 0.00 1.25 1.57 -1.01 0.34 116.57 120.21 1xck h LYS 132 Ca 0.01 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1xck h LYS 132 Cb 1.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1xck h LYS 132 CO 0.11 1.05 -0.21 0.00 -0.57 0.00 0.00 179.45 179.83 1xck h ALA 133 N 0.88 1.47 0.11 3.86 0.00 -1.38 -1.63 119.26 122.56 1xck h ALA 133 Ca 0.12 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 133 Cb 0.73 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xck h ALA 133 CO 0.06 0.26 -1.20 1.25 0.00 0.00 0.00 179.25 179.62 1xck h LEU 134 N 0.00 0.66 -9.65 0.00 6.46 -0.70 -3.46 115.31 108.62 1xck h LEU 134 Ca -0.00 -0.63 -0.57 0.00 -0.12 0.00 0.00 57.88 56.56 1xck h LEU 134 Cb 0.42 -0.21 0.09 0.00 -0.73 0.00 0.00 40.66 40.23 1xck h LEU 134 CO 0.03 1.45 0.59 -0.24 -0.62 0.00 0.00 178.44 179.65 1xck n SER 135 N -3.70 2.82 -4.56 1.25 2.88 0.11 -4.86 113.62 107.56 1xck n SER 135 Ca -0.11 1.16 -0.34 0.00 -1.33 0.00 0.00 58.87 58.26 1xck n SER 135 Cb 0.97 -1.46 -0.11 0.00 -0.75 0.00 0.00 64.21 62.87 1xck n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xck s VAL 136 N -0.40 4.32 0.62 2.46 1.01 0.41 -4.88 120.40 123.95 1xck s VAL 136 Ca 0.64 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1xck s VAL 136 Cb -0.61 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1xck s VAL 136 CO 0.54 0.48 1.19 -2.84 0.00 0.00 0.00 175.10 174.47 1xck s PRO 137 N 0.36 2.82 -0.43 2.72 0.02 -1.26 0.24 135.00 139.47 1xck s PRO 137 Ca -0.01 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.78 1xck s PRO 137 Cb -0.13 -1.92 0.14 0.00 0.02 0.00 0.00 34.50 32.61 1xck s PRO 137 CO 0.02 -1.31 0.24 0.00 -0.33 0.00 0.00 177.00 175.62 1xck n SER 139 N 3.57 0.84 -4.77 0.00 7.64 -1.26 -4.31 113.62 115.33 1xck n SER 139 Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.64 1xck n SER 139 Cb 0.36 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -4.77 5.43 0.00 6.43 -4.77 -1.26 -4.85 116.67 112.88 1xck s ASP 140 Ca 0.00 2.19 0.12 0.00 -3.30 0.00 0.00 52.55 51.56 1xck s ASP 140 Cb 0.00 -2.58 0.60 0.00 -1.09 0.00 0.00 42.92 39.85 1xck s ASP 140 CO 0.00 -1.42 1.30 -1.54 0.70 0.00 0.00 175.17 174.21 1xck n SER 141 N -1.65 0.00 0.01 2.11 3.41 -1.26 -1.82 113.62 114.41 1xck n SER 141 Ca 0.12 0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.70 1xck n SER 141 Cb 0.51 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.49 -0.27 4.33 3.64 -2.00 -2.61 116.57 120.15 1xck h LYS 142 Ca 0.00 -0.50 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1xck h LYS 142 Cb 0.12 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1xck h LYS 142 CO 0.00 1.14 -0.11 0.00 -2.27 0.00 0.00 179.45 178.21 1xck h ALA 143 N 0.36 0.38 -0.69 5.00 0.00 -1.73 -2.49 119.26 120.10 1xck h ALA 143 Ca -0.08 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1xck h ALA 143 Cb 1.36 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1xck h ALA 143 CO 0.13 0.23 0.30 0.82 0.00 0.00 0.00 179.25 180.74 1xck h ILE 144 N 0.30 0.78 -0.51 0.00 2.04 -1.51 0.29 117.51 118.90 1xck h ILE 144 Ca 0.06 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1xck h ILE 144 Cb 0.61 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1xck h ILE 144 CO 0.04 0.09 0.27 0.00 0.00 0.00 0.00 178.15 178.54 1xck h ALA 145 N 1.45 0.66 -0.17 1.87 0.00 -1.33 -0.67 119.26 121.07 1xck h ALA 145 Ca 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1xck h ALA 145 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xck h ALA 145 CO -0.31 0.20 0.08 1.96 0.00 0.00 0.00 179.25 181.17 1xck h GLN 146 N 0.68 0.17 -0.53 0.00 4.20 -0.70 0.21 115.11 119.14 1xck h GLN 146 Ca 0.18 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1xck h GLN 146 Cb 0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1xck h GLN 146 CO -0.03 0.11 0.19 0.28 -0.67 0.00 0.00 178.83 178.72 1xck h VAL 147 N 0.17 1.20 -0.39 -0.54 2.07 -0.85 -0.34 116.25 117.56 1xck h VAL 147 Ca 0.07 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 1xck h VAL 147 Cb 0.02 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xck h VAL 147 CO -0.05 0.25 -0.30 1.23 0.02 0.00 0.00 177.57 178.72 1xck h GLY 148 N 0.90 0.93 0.84 2.17 0.00 -0.49 -1.45 103.07 105.98 1xck h GLY 148 Ca 0.18 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1xck h GLY 148 CO -0.01 0.79 0.04 -0.84 0.00 0.00 0.00 176.54 176.52 1xck h THR 149 N 0.73 1.20 -0.78 4.70 2.02 0.03 -1.77 112.91 119.04 1xck h THR 149 Ca 0.08 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1xck h THR 149 Cb 0.85 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1xck h THR 149 CO 0.07 0.19 0.39 0.40 0.37 0.00 0.00 175.52 176.95 1xck h ILE 150 N 0.08 1.24 0.00 3.11 2.04 -1.05 0.19 117.51 123.12 1xck h ILE 150 Ca 0.05 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1xck h ILE 150 Cb 0.26 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1xck h ILE 150 CO 0.00 0.28 0.00 -1.20 0.00 0.00 0.00 178.15 177.23 1xck n SER 151 N -4.39 0.51 -1.45 1.72 7.64 -0.55 -2.36 113.62 114.74 1xck n SER 151 Ca 0.07 0.61 -0.03 0.00 1.01 0.00 0.00 58.87 60.53 1xck n SER 151 Cb 0.12 -0.73 0.25 0.00 -1.01 0.00 0.00 64.21 62.84 1xck n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xck n ALA 152 N -1.70 4.17 -3.34 -0.43 0.00 -0.68 -4.22 120.51 114.31 1xck n ALA 152 Ca 0.03 -2.66 -0.16 0.00 0.00 0.00 0.00 53.44 50.65 1xck n ALA 152 Cb 0.24 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.68 -2.59 -1.22 0.00 5.15 -1.00 -2.92 115.26 112.01 1xck n ASN 153 Ca 0.35 -0.56 -0.15 0.00 -0.60 0.00 0.00 54.58 53.63 1xck n ASN 153 Cb 1.17 -4.73 -0.05 0.00 -0.53 0.00 0.00 39.78 35.64 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -2.91 -4.69 -4.46 1.20 7.64 0.58 -4.96 113.62 106.02 1xck n SER 154 Ca -0.23 0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1xck n SER 154 Cb 0.64 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 60.26 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 -2.75 6.34 0.43 6.43 -1.08 -1.12 -4.89 116.67 120.04 1xck s ASP 155 Ca 0.00 -1.35 0.19 0.00 -0.52 0.00 0.00 52.55 50.88 1xck s ASP 155 Cb 0.00 -2.43 1.13 0.00 -1.46 0.00 0.00 42.92 40.16 1xck s ASP 155 CO 0.00 -1.34 1.85 -0.33 0.52 0.00 0.00 175.17 175.87 1xck h GLU 156 N 9.37 0.35 -0.42 4.34 5.08 -1.92 -1.72 114.58 129.65 1xck h GLU 156 Ca -0.11 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1xck h GLU 156 Cb 1.05 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1xck h GLU 156 CO 1.18 0.23 0.07 1.15 -1.00 0.00 0.00 179.01 180.64 1xck h THR 157 N 0.36 0.76 -0.18 1.13 2.02 -1.97 -0.03 112.91 114.99 1xck h THR 157 Ca 0.48 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 1xck h THR 157 Cb 1.27 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1xck h THR 157 CO -0.17 0.04 0.11 0.58 0.37 0.00 0.00 175.52 176.44 1xck h VAL 158 N 0.20 1.08 -0.45 3.16 2.07 -1.66 0.10 116.25 120.75 1xck h VAL 158 Ca 0.21 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1xck h VAL 158 Cb 0.26 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1xck h VAL 158 CO -0.28 0.08 0.17 1.23 0.02 0.00 0.00 177.57 178.79 1xck h GLY 159 N 0.21 0.60 0.93 2.17 0.00 -1.36 -0.04 103.07 105.57 1xck h GLY 159 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xck h GLY 159 CO -0.01 0.03 0.32 1.70 0.00 0.00 0.00 176.54 178.58 1xck h LYS 160 N 0.35 0.62 0.03 4.80 3.64 -0.66 -0.92 116.57 124.44 1xck h LYS 160 Ca 0.21 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1xck h LYS 160 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xck h LYS 160 CO -0.20 0.41 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.21 1xck h LEU 161 N 0.64 -0.32 -0.51 5.20 3.38 0.10 -1.38 115.31 122.43 1xck h LEU 161 Ca 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1xck h LEU 161 Cb -0.02 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xck h LEU 161 CO -0.07 -0.16 0.22 0.40 0.09 0.00 0.00 178.44 178.92 1xck h ILE 162 N -0.21 1.20 -0.50 1.22 2.04 -0.81 -1.71 117.51 118.75 1xck h ILE 162 Ca 0.03 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1xck h ILE 162 Cb 0.24 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1xck h ILE 162 CO -0.09 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.57 1xck h ALA 163 N 1.07 0.64 -0.27 1.87 0.00 -1.02 0.54 119.26 122.09 1xck h ALA 163 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xck h ALA 163 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xck h ALA 163 CO -0.02 -0.04 0.16 0.93 0.00 0.00 0.00 179.25 180.28 1xck h GLU 164 N 0.55 0.32 -0.32 0.00 5.08 -0.97 -0.30 114.58 118.95 1xck h GLU 164 Ca 0.21 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1xck h GLU 164 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xck h GLU 164 CO -0.12 0.21 0.13 0.00 -1.00 0.00 0.00 179.01 178.23 1xck h ALA 165 N 1.11 0.41 -0.06 3.43 0.00 -0.93 -1.78 119.26 121.45 1xck h ALA 165 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 165 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 165 CO -0.04 0.01 -0.07 0.52 0.00 0.00 0.00 179.25 179.67 1xck h MET 166 N 0.36 0.08 -0.32 0.00 2.86 -0.67 -1.31 114.93 115.93 1xck h MET 166 Ca 0.11 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1xck h MET 166 Cb 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xck h MET 166 CO -0.01 0.16 -0.31 0.22 1.06 0.00 0.00 176.91 178.03 1xck h ASP 167 N 0.08 0.73 0.54 1.22 3.58 -0.52 0.34 116.42 122.40 1xck h ASP 167 Ca 0.02 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1xck h ASP 167 Cb 0.18 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.04 1xck h ASP 167 CO 0.01 0.99 -0.26 0.11 -2.88 0.00 0.00 179.24 177.21 1xck h LYS 168 N 0.59 -0.70 -0.06 0.28 1.79 -0.41 -3.34 116.57 114.72 1xck h LYS 168 Ca 0.07 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1xck h LYS 168 Cb 0.83 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1xck h LYS 168 CO 0.07 -0.47 0.00 1.33 -1.08 0.00 0.00 179.45 179.30 1xck n VAL 169 N -4.89 0.06 0.00 0.50 0.24 -0.81 -5.06 118.33 108.37 1xck n VAL 169 Ca -0.09 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1xck n VAL 169 Cb 0.29 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 1.20 -2.12 0.33 7.63 0.00 0.12 -2.76 105.19 109.58 1xck n GLY 170 Ca 0.18 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 0.41 0.00 1.61 1.57 -1.94 -0.27 116.57 117.95 1xck h LYS 171 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xck h LYS 171 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1xck h LYS 171 CO 0.00 0.27 -0.44 0.39 -0.57 0.00 0.00 179.45 179.11 1xck n GLU 172 N -4.48 0.23 -0.78 3.15 -0.58 -1.26 -4.96 120.64 111.97 1xck n GLU 172 Ca 0.06 0.10 -0.33 0.00 -0.42 0.00 0.00 57.16 56.57 1xck n GLU 172 Cb 0.22 -1.68 0.13 0.00 -0.57 0.00 0.00 31.44 29.54 1xck n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xck n GLY 173 N 1.36 -2.18 3.65 0.62 0.00 -0.11 -4.96 105.19 103.56 1xck n GLY 173 Ca 0.04 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1xck n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 174 N -2.35 5.16 -0.12 1.61 1.01 -1.26 -4.96 120.40 119.49 1xck s VAL 174 Ca 0.56 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.32 1xck s VAL 174 Cb -0.19 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1xck s VAL 174 CO 0.68 0.20 -0.22 -0.63 0.00 0.00 0.00 175.10 175.13 1xck s ILE 175 N 1.62 2.00 0.16 2.22 1.01 -1.26 -0.80 121.20 126.15 1xck s ILE 175 Ca 0.19 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1xck s ILE 175 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1xck s ILE 175 CO 0.09 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.53 1xck s THR 176 N 0.59 2.92 -0.02 2.92 2.01 0.49 -4.96 115.64 119.58 1xck s THR 176 Ca -0.13 -1.65 0.01 0.00 0.31 0.00 0.00 61.69 60.23 1xck s THR 176 Cb -0.17 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1xck s THR 176 CO 0.04 -0.03 -0.04 0.54 -0.69 0.00 0.00 174.62 174.43 1xck s VAL 177 N -1.48 0.45 0.17 3.82 0.11 -1.26 -0.05 120.40 122.16 1xck s VAL 177 Ca 0.21 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1xck s VAL 177 Cb -0.09 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1xck s VAL 177 CO 0.12 0.17 0.20 -1.83 -3.33 0.00 0.00 175.10 170.44 1xck s GLU 178 N 0.48 1.12 0.42 1.54 -1.05 0.50 -4.94 118.70 116.77 1xck s GLU 178 Ca -0.06 -1.34 -0.23 0.00 -0.15 0.00 0.00 54.97 53.19 1xck s GLU 178 Cb -0.09 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 33.81 1xck s GLU 178 CO -0.00 -0.38 0.81 -0.25 0.95 0.00 0.00 175.26 176.39 1xck n ASP 179 N -0.20 0.32 -4.92 0.83 8.00 -1.26 -2.04 116.55 117.28 1xck n ASP 179 Ca -0.05 0.98 -0.26 0.00 0.71 0.00 0.00 54.79 56.17 1xck n ASP 179 Cb 0.64 -1.25 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1xck n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xck s GLY 180 N -0.85 1.57 0.00 0.44 0.00 -0.72 -4.45 107.32 103.32 1xck s GLY 180 Ca 0.64 -0.73 0.28 0.00 0.00 0.00 0.00 44.72 44.90 1xck s GLY 180 CO 0.57 -0.50 1.73 -1.30 0.00 0.00 0.00 173.10 173.60 1xck n THR 181 N -2.40 0.00 0.00 0.90 -2.24 -1.26 -4.90 114.28 104.37 1xck n THR 181 Ca 0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1xck n THR 181 Cb 0.57 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1xck n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 182 N 1.18 4.11 0.67 3.38 0.00 -1.26 -5.04 105.19 108.23 1xck n GLY 182 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1xck n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xck n LEU 183 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.54 117.00 112.19 1xck n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xck n LEU 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xck n LEU 183 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xck n GLN 184 N -0.11 0.00 -2.08 1.96 6.02 -1.26 -4.69 117.38 117.22 1xck n GLN 184 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1xck n GLN 184 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1xck n GLN 184 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xck s ASP 185 N 0.00 6.19 -0.00 1.08 1.01 -1.26 -3.53 116.67 120.16 1xck s ASP 185 Ca 0.00 1.58 0.01 0.00 0.71 0.00 0.00 52.55 54.85 1xck s ASP 185 Cb 0.00 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 1xck s ASP 185 CO 0.00 -0.89 -0.02 -1.61 0.21 0.00 0.00 175.17 172.87 1xck s GLU 186 N -4.51 0.13 -0.10 8.23 2.02 -0.71 -4.93 118.70 118.84 1xck s GLU 186 Ca 0.59 -0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 1xck s GLU 186 Cb -0.12 -0.13 0.03 0.00 0.10 0.00 0.00 34.13 34.01 1xck s GLU 186 CO 0.42 0.03 -0.05 -1.17 0.02 0.00 0.00 175.26 174.52 1xck s LEU 187 N -0.05 1.01 -0.01 1.80 2.96 -1.26 -0.86 118.68 122.27 1xck s LEU 187 Ca 0.00 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1xck s LEU 187 Cb -0.01 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 1xck s LEU 187 CO -0.00 -0.15 0.05 -1.81 -1.32 0.00 0.00 176.35 173.11 1xck s ASP 188 N 1.80 0.04 -0.18 3.68 1.01 -0.98 -4.97 116.67 117.06 1xck s ASP 188 Ca 0.05 -0.10 -0.08 0.00 0.71 0.00 0.00 52.55 53.12 1xck s ASP 188 Cb -0.13 0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.89 1xck s ASP 188 CO -0.07 -0.15 0.10 -0.69 0.21 0.00 0.00 175.17 174.56 1xck s VAL 189 N -0.61 5.15 0.11 -1.27 1.01 -1.26 -0.12 120.40 123.41 1xck s VAL 189 Ca -0.07 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1xck s VAL 189 Cb -0.04 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1xck s VAL 189 CO 0.00 0.47 -0.17 0.68 0.00 0.00 0.00 175.10 176.08 1xck s VAL 190 N 0.17 1.47 -0.28 2.92 -7.23 0.33 -4.90 120.40 112.89 1xck s VAL 190 Ca 0.07 -1.56 -0.38 0.00 -1.81 0.00 0.00 61.98 58.30 1xck s VAL 190 Cb -0.12 -1.45 -0.14 0.00 0.56 0.00 0.00 36.38 35.23 1xck s VAL 190 CO -0.00 -0.21 1.90 -0.62 -0.31 0.00 0.00 175.10 175.85 1xck n GLU 191 N 0.92 1.23 -3.84 4.82 -0.58 -1.26 -0.61 120.64 121.33 1xck n GLU 191 Ca -0.18 0.42 -0.06 0.00 -0.42 0.00 0.00 57.16 56.92 1xck n GLU 191 Cb 0.55 -2.25 0.02 0.00 -0.57 0.00 0.00 31.44 29.19 1xck n GLU 191 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 192 N 4.76 0.21 0.22 0.62 0.00 -1.26 -0.02 107.32 111.86 1xck s GLY 192 Ca 1.02 -0.52 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 1xck s GLY 192 CO 0.60 0.83 0.81 -0.29 0.00 0.00 0.00 173.10 175.04 1xck s MET 193 N -2.37 1.53 -0.21 2.90 1.75 -0.35 -3.78 119.30 118.77 1xck s MET 193 Ca 0.18 -0.84 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 1xck s MET 193 Cb -0.04 0.53 0.07 0.00 2.84 0.00 0.00 34.83 38.23 1xck s MET 193 CO 0.08 -0.70 0.50 -1.14 -0.65 0.00 0.00 175.02 173.11 1xck s GLN 194 N -3.66 0.49 0.32 4.11 0.74 -1.26 -0.58 119.66 119.82 1xck s GLN 194 Ca 0.11 0.94 0.07 0.00 0.05 0.00 0.00 55.36 56.54 1xck s GLN 194 Cb -0.04 0.06 -0.06 0.00 1.10 0.00 0.00 33.01 34.06 1xck s GLN 194 CO 0.04 -0.16 -0.05 -0.59 -0.55 0.00 0.00 175.29 173.98 1xck s PHE 195 N 1.55 2.17 -1.38 1.67 -0.71 -0.10 -5.00 117.98 116.20 1xck s PHE 195 Ca -0.09 -0.65 -0.09 0.00 -1.04 0.00 0.00 56.93 55.06 1xck s PHE 195 Cb -0.08 -1.30 0.09 0.00 -1.21 0.00 0.00 43.02 40.53 1xck s PHE 195 CO -0.15 0.38 2.28 -0.25 -1.34 0.00 0.00 175.22 176.13 1xck n ASP 196 N -0.71 6.54 -3.75 1.98 8.00 -1.26 -1.78 116.55 125.58 1xck n ASP 196 Ca -0.05 -3.00 -0.15 0.00 0.71 0.00 0.00 54.79 52.30 1xck n ASP 196 Cb 0.64 -1.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.11 1xck n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xck s ARG 197 N 0.50 0.01 0.25 -1.24 1.81 -1.11 -4.83 118.95 114.35 1xck s ARG 197 Ca 0.50 0.30 0.04 0.00 -1.72 0.00 0.00 55.73 54.86 1xck s ARG 197 Cb 0.15 -0.25 0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1xck s ARG 197 CO -0.05 -0.19 0.34 0.41 -0.68 0.00 0.00 175.30 175.12 1xck n GLY 198 N 4.38 1.97 3.76 -3.53 0.00 -1.25 -1.60 105.19 108.93 1xck n GLY 198 Ca -0.24 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 1xck n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xck s TYR 199 N -0.56 2.79 -1.83 1.61 -0.85 -0.68 -4.39 117.35 113.43 1xck s TYR 199 Ca 0.26 1.09 0.00 0.00 -0.52 0.00 0.00 57.07 57.89 1xck s TYR 199 Cb -0.02 -3.94 0.00 0.00 0.38 0.00 0.00 41.96 38.38 1xck s TYR 199 CO 0.16 -2.89 0.67 1.28 -1.52 0.00 0.00 175.55 173.25 1xck n LEU 200 N 1.30 0.12 0.00 -3.49 4.77 -0.57 -4.71 117.00 114.41 1xck n LEU 200 Ca 0.04 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1xck n LEU 200 Cb 0.39 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xck n LEU 200 CO 0.62 0.03 0.00 -0.24 -1.33 0.00 0.00 177.39 176.47 1xck n SER 201 N -0.39 0.00 -0.94 -1.43 2.88 -1.26 -5.09 113.62 107.37 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 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.25 2.92 0.00 -1.46 -0.02 -1.26 -3.57 135.00 131.37 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 0.00 0.00 0.30 6.00 4.01 -1.26 -4.04 117.16 122.17 1xck n TYR 203 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 1xck n TYR 203 Cb 0.00 0.00 0.80 0.00 -0.31 0.00 0.00 39.34 39.83 1xck n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xck h PHE 204 N 0.00 0.00 -2.63 -0.72 0.04 -1.90 -3.42 116.94 108.30 1xck h PHE 204 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1xck h PHE 204 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 1xck h PHE 204 CO 0.00 0.00 1.04 0.42 -0.60 0.00 0.00 178.31 179.17 1xck s ILE 205 N -3.73 2.57 -0.03 -0.55 1.01 -1.26 -4.65 121.20 114.57 1xck s ILE 205 Ca -0.01 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1xck s ILE 205 Cb 0.10 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.51 1xck s ILE 205 CO 0.41 0.00 0.92 -0.46 0.00 0.00 0.00 174.94 175.82 1xck n ASN 206 N 5.14 1.41 -3.13 3.58 0.23 -1.15 -4.77 115.26 116.57 1xck n ASN 206 Ca 0.16 -2.03 -0.18 0.00 -0.53 0.00 0.00 54.58 52.00 1xck n ASN 206 Cb 0.38 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.55 1.16 -0.58 -3.83 4.76 -0.86 -4.91 118.16 113.35 1xck n LYS 207 Ca 0.04 -3.49 0.46 0.00 -2.87 0.00 0.00 58.31 52.45 1xck n LYS 207 Cb 0.45 -1.72 0.73 0.00 -1.84 0.00 0.00 35.03 32.64 1xck n LYS 207 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xck n PRO 208 N 0.21 -0.02 0.23 1.97 -0.04 -1.26 -0.23 135.00 135.87 1xck n PRO 208 Ca 0.24 1.12 -0.16 0.00 -0.04 0.00 0.00 63.50 64.66 1xck n PRO 208 Cb 0.65 -2.40 -0.09 0.00 -0.04 0.00 0.00 33.50 31.63 1xck n PRO 208 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xck h GLU 209 N 0.00 -0.83 -0.02 0.54 3.07 -1.95 -2.76 114.58 112.64 1xck h GLU 209 Ca 0.88 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.80 1xck h GLU 209 Cb 3.23 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 31.33 1xck h GLU 209 CO -0.21 -0.55 -0.01 0.25 -1.40 0.00 0.00 179.01 177.09 1xck n THR 210 N -5.16 0.00 -2.85 1.13 -2.24 -0.03 -4.94 114.28 100.19 1xck n THR 210 Ca -0.10 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 1xck n THR 210 Cb 0.40 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 211 N 1.18 -0.51 3.43 3.38 0.00 0.68 -4.98 105.19 108.37 1xck n GLY 211 Ca 0.19 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.05 2.42 -0.17 4.61 0.00 -1.19 -4.58 121.76 119.80 1xck s ALA 212 Ca 0.21 -1.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.21 1xck s ALA 212 Cb -0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1xck s ALA 212 CO 0.26 0.07 0.18 0.08 0.00 0.00 0.00 175.76 176.34 1xck s VAL 213 N -2.83 5.40 -0.20 0.00 1.01 -0.41 -2.03 120.40 121.33 1xck s VAL 213 Ca 0.28 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1xck s VAL 213 Cb 0.00 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1xck s VAL 213 CO 0.12 0.47 0.03 -0.70 0.00 0.00 0.00 175.10 175.02 1xck s GLU 214 N 0.03 0.74 -0.10 2.72 2.12 -1.26 -0.52 118.70 122.43 1xck s GLU 214 Ca 0.12 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.96 1xck s GLU 214 Cb -0.12 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1xck s GLU 214 CO 0.01 -0.64 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.51 1xck s LEU 215 N 1.82 3.16 -0.11 2.70 1.43 -0.63 -4.99 118.68 122.05 1xck s LEU 215 Ca -0.01 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1xck s LEU 215 Cb -0.17 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1xck s LEU 215 CO -0.08 0.30 -0.03 -1.61 0.23 0.00 0.00 176.35 175.16 1xck s GLU 216 N -0.40 3.26 -1.68 1.70 2.02 -1.26 -1.99 118.70 120.34 1xck s GLU 216 Ca 0.06 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.40 1xck s GLU 216 Cb -0.12 -2.81 0.14 0.00 0.10 0.00 0.00 34.13 31.44 1xck s GLU 216 CO 0.02 0.48 0.69 0.43 0.02 0.00 0.00 175.26 176.90 1xck n SER 217 N 2.81 -2.62 -4.86 -0.19 7.64 0.33 -4.51 113.62 112.21 1xck n SER 217 Ca -0.18 -1.04 -0.31 0.00 1.01 0.00 0.00 58.87 58.35 1xck n SER 217 Cb 0.53 -2.64 0.03 0.00 -1.01 0.00 0.00 64.21 61.12 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 -6.94 3.29 0.19 1.43 0.04 -1.21 -4.59 135.00 127.22 1xck s PRO 218 Ca 0.63 0.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 1xck s PRO 218 Cb -0.34 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1xck s PRO 218 CO 0.94 -0.80 0.52 -0.06 0.04 0.00 0.00 177.00 177.64 1xck s PHE 219 N -3.17 3.48 -0.19 0.56 0.08 0.28 -3.47 117.98 115.55 1xck s PHE 219 Ca 0.56 0.88 0.01 0.00 0.12 0.00 0.00 56.93 58.51 1xck s PHE 219 Cb -0.12 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1xck s PHE 219 CO 0.54 0.34 -0.17 0.42 -0.10 0.00 0.00 175.22 176.25 1xck s ILE 220 N -1.69 1.97 -0.36 0.64 1.01 0.15 -0.03 121.20 122.89 1xck s ILE 220 Ca 0.43 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1xck s ILE 220 Cb -0.12 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 1xck s ILE 220 CO 0.21 0.39 0.46 -0.22 0.00 0.00 0.00 174.94 175.78 1xck s LEU 221 N 1.30 4.46 -0.43 2.97 2.96 -0.10 0.12 118.68 129.95 1xck s LEU 221 Ca 0.02 -0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 1xck s LEU 221 Cb -0.15 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.12 1xck s LEU 221 CO -0.11 -0.47 0.30 -0.76 -1.32 0.00 0.00 176.35 173.99 1xck s LEU 222 N 2.26 5.24 -0.22 -0.68 1.43 -1.26 -0.57 118.68 124.87 1xck s LEU 222 Ca 0.16 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.95 1xck s LEU 222 Cb -0.16 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.04 1xck s LEU 222 CO 0.13 -0.54 -0.11 0.00 0.23 0.00 0.00 176.35 176.06 1xck s ALA 223 N 1.53 2.21 -1.21 4.21 0.00 -0.71 -0.11 121.76 127.68 1xck s ALA 223 Ca 0.03 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1xck s ALA 223 Cb -0.23 -1.39 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1xck s ALA 223 CO 0.05 -0.94 1.65 0.34 0.00 0.00 0.00 175.76 176.87 1xck s ASP 224 N 1.29 6.72 0.00 0.00 2.15 -0.73 -3.28 116.67 122.82 1xck s ASP 224 Ca -0.04 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 50.81 1xck s ASP 224 Cb -0.17 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1xck s ASP 224 CO -0.07 -1.29 0.00 2.29 -0.17 0.00 0.00 175.17 175.92 1xck n LYS 225 N 8.55 -3.47 -3.99 4.34 2.85 -1.26 -3.87 118.16 121.32 1xck n LYS 225 Ca 0.44 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.35 1xck n LYS 225 Cb 0.48 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xck s LYS 226 N -2.00 3.90 -0.31 -1.58 1.02 -1.26 -0.34 119.74 119.17 1xck s LYS 226 Ca 0.00 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 1xck s LYS 226 Cb 0.00 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1xck s LYS 226 CO 0.00 0.18 0.18 0.42 -0.92 0.00 0.00 175.35 175.22 1xck s ILE 227 N 0.61 4.93 -0.03 2.17 1.01 -0.53 -4.91 121.20 124.44 1xck s ILE 227 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1xck s ILE 227 Cb -0.13 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1xck s ILE 227 CO 0.01 0.09 0.04 -1.20 0.00 0.00 0.00 174.94 173.88 1xck n SER 228 N 5.03 1.91 -3.83 3.58 7.64 -1.26 -0.16 113.62 126.53 1xck n SER 228 Ca -0.14 -0.32 -0.25 0.00 1.01 0.00 0.00 58.87 59.17 1xck n SER 228 Cb 0.50 1.02 -0.17 0.00 -1.01 0.00 0.00 64.21 64.55 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 -1.52 2.00 0.00 6.43 0.01 -1.26 -1.75 114.94 118.85 1xck s ASN 229 Ca 0.00 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1xck s ASN 229 Cb 0.01 -0.64 0.12 0.00 0.41 0.00 0.00 41.25 41.15 1xck s ASN 229 CO 0.05 -0.17 0.39 0.00 -1.51 0.00 0.00 177.10 175.86 1xck n ILE 230 N 5.04 0.00 -0.07 0.60 3.06 -1.26 -2.92 119.36 123.81 1xck n ILE 230 Ca -0.10 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.05 1xck n ILE 230 Cb 0.50 -0.59 0.04 0.00 0.54 0.00 0.00 39.64 40.13 1xck n ILE 230 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1xck h ARG 231 N 0.00 0.77 0.00 9.51 2.43 -1.98 -2.71 114.38 122.40 1xck h ARG 231 Ca 0.00 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 1xck h ARG 231 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1xck h ARG 231 CO 0.00 1.03 -0.39 0.93 -1.51 0.00 0.00 179.97 180.02 1xck h GLU 232 N 0.63 0.00 0.25 0.20 5.08 -1.93 -3.29 114.58 115.53 1xck h GLU 232 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1xck h GLU 232 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1xck h GLU 232 CO 0.09 0.39 -0.12 0.52 -1.00 0.00 0.00 179.01 178.89 1xck h MET 233 N 0.00 -0.32 -0.05 2.33 2.86 -1.70 -3.32 114.93 114.72 1xck h MET 233 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1xck h MET 233 Cb 0.76 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1xck h MET 233 CO 0.05 0.03 -0.03 1.28 1.06 0.00 0.00 176.91 179.30 1xck n LEU 234 N -5.07 -0.05 -0.15 1.22 4.77 -1.04 0.55 117.00 117.23 1xck n LEU 234 Ca -0.09 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1xck n LEU 234 Cb 0.26 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1xck n LEU 234 CO 0.29 -0.08 0.80 1.55 -1.33 0.00 0.00 177.39 178.62 1xck h PRO 235 N 0.00 0.04 -0.37 3.23 0.13 -1.82 0.11 132.00 133.32 1xck h PRO 235 Ca 0.01 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1xck h PRO 235 Cb 0.02 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1xck h PRO 235 CO -0.05 0.02 -0.27 0.28 -0.23 0.00 0.00 178.00 177.76 1xck h VAL 236 N 0.04 1.28 0.00 1.56 2.07 -0.11 -2.68 116.25 118.41 1xck h VAL 236 Ca 0.23 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1xck h VAL 236 Cb 0.36 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1xck h VAL 236 CO -0.46 0.46 -0.23 -0.07 0.02 0.00 0.00 177.57 177.30 1xck h LEU 237 N 0.66 0.00 0.00 2.57 3.38 -0.45 -1.94 115.31 119.53 1xck h LEU 237 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1xck h LEU 237 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1xck h LEU 237 CO 0.07 0.23 -0.86 -0.33 0.09 0.00 0.00 178.44 177.63 1xck h GLU 238 N 0.00 0.00 -0.00 1.13 5.08 -0.79 -0.19 114.58 119.80 1xck h GLU 238 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1xck h GLU 238 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1xck h GLU 238 CO 0.03 0.72 -0.72 0.00 -1.00 0.00 0.00 179.01 178.03 1xck h ALA 239 N 1.23 0.80 0.00 3.43 0.00 -1.14 -2.68 119.26 120.91 1xck h ALA 239 Ca -0.03 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1xck h ALA 239 Cb 1.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1xck h ALA 239 CO 0.09 0.89 -0.88 0.28 0.00 0.00 0.00 179.25 179.63 1xck h VAL 240 N 0.01 1.45 0.13 0.00 2.07 -1.30 -3.26 116.25 115.35 1xck h VAL 240 Ca -0.01 -3.06 -0.01 0.00 0.82 0.00 0.00 66.70 64.44 1xck h VAL 240 Cb 1.28 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1xck h VAL 240 CO 0.10 0.83 -0.06 0.00 0.02 0.00 0.00 177.57 178.45 1xck h ALA 241 N 1.14 -0.18 -2.25 1.67 0.00 -0.84 -3.26 119.26 115.55 1xck h ALA 241 Ca -0.02 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.38 1xck h ALA 241 Cb 1.67 0.07 0.17 0.00 0.00 0.00 0.00 17.79 19.69 1xck h ALA 241 CO 0.11 -0.56 0.20 0.15 0.00 0.00 0.00 179.25 179.15 1xck s LYS 242 N -5.82 -0.06 0.00 0.00 1.02 -1.03 -2.69 119.74 111.17 1xck s LYS 242 Ca -0.14 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1xck s LYS 242 Cb 0.05 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1xck s LYS 242 CO 0.65 -2.99 0.00 0.00 -0.92 0.00 0.00 175.35 172.08 1xck n ALA 243 N -4.31 0.00 -3.91 5.17 0.00 -1.26 -4.29 120.51 111.92 1xck n ALA 243 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1xck n ALA 243 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.19 -0.24 3.27 0.00 0.00 -1.09 -5.01 105.19 100.92 1xck n GLY 244 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.45 1.13 1.18 1.61 1.02 -1.23 -5.11 119.74 111.90 1xck s LYS 245 Ca 0.02 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.72 1xck s LYS 245 Cb -0.01 -1.36 0.27 0.00 -0.52 0.00 0.00 37.83 36.21 1xck s LYS 245 CO 0.87 0.32 1.07 -1.25 -0.92 0.00 0.00 175.35 175.45 1xck s PRO 246 N -1.80 -1.00 -0.01 -1.68 0.04 -1.26 -4.78 135.00 124.51 1xck s PRO 246 Ca 0.06 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1xck s PRO 246 Cb -0.10 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.86 1xck s PRO 246 CO 0.04 -3.62 -0.00 -1.17 0.04 0.00 0.00 177.00 172.29 1xck s LEU 247 N -6.97 1.62 -0.30 -3.56 2.96 -0.16 -0.56 118.68 111.72 1xck s LEU 247 Ca 0.69 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.54 1xck s LEU 247 Cb -0.14 -0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.47 1xck s LEU 247 CO 0.58 -0.04 0.05 -0.22 -1.32 0.00 0.00 176.35 175.39 1xck s LEU 248 N 0.43 3.85 -0.32 -0.68 2.96 0.96 -0.94 118.68 124.95 1xck s LEU 248 Ca -0.04 -0.93 -0.19 0.00 -0.22 0.00 0.00 54.13 52.75 1xck s LEU 248 Cb -0.06 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1xck s LEU 248 CO -0.01 -0.22 0.59 -0.63 -1.32 0.00 0.00 176.35 174.76 1xck s ILE 249 N 1.41 4.96 -0.38 6.68 -1.09 0.13 -0.92 121.20 131.98 1xck s ILE 249 Ca -0.00 0.70 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 1xck s ILE 249 Cb -0.18 -3.98 0.11 0.00 -1.58 0.00 0.00 42.46 36.82 1xck s ILE 249 CO 0.01 -0.16 0.12 -0.63 -1.23 0.00 0.00 174.94 173.04 1xck s ILE 250 N 2.54 2.64 0.38 2.92 1.01 0.26 -0.48 121.20 130.47 1xck s ILE 250 Ca 0.23 -2.32 0.04 0.00 0.00 0.00 0.00 60.65 58.60 1xck s ILE 250 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1xck s ILE 250 CO 0.12 -0.64 0.11 0.00 0.00 0.00 0.00 174.94 174.53 1xck s ALA 251 N 0.90 2.70 0.51 9.38 0.00 -1.14 -1.74 121.76 132.37 1xck s ALA 251 Ca 0.11 -1.47 0.22 0.00 0.00 0.00 0.00 51.96 50.81 1xck s ALA 251 Cb -0.21 0.76 1.30 0.00 0.00 0.00 0.00 23.12 24.98 1xck s ALA 251 CO -0.06 -0.34 2.01 1.49 0.00 0.00 0.00 175.76 178.85 1xck h GLU 252 N 1.91 0.09 0.00 0.00 4.81 -0.67 0.33 114.58 121.05 1xck h GLU 252 Ca -0.37 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1xck h GLU 252 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xck h GLU 252 CO 0.60 0.06 0.00 -3.47 -0.73 0.00 0.00 179.01 175.47 1xck n ASP 253 N -4.42 0.00 -3.69 1.04 -0.08 -1.23 -4.40 116.55 103.76 1xck n ASP 253 Ca 0.09 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.09 1xck n ASP 253 Cb 0.50 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.80 1xck n ASP 253 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xck s VAL 254 N -2.00 0.31 0.48 5.18 1.01 -1.26 -1.46 120.40 122.66 1xck s VAL 254 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1xck s VAL 254 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1xck s VAL 254 CO 0.00 -0.24 0.28 -1.61 0.00 0.00 0.00 175.10 173.53 1xck s GLU 255 N 1.96 2.27 0.00 2.72 2.02 0.78 -4.61 118.70 123.83 1xck s GLU 255 Ca 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.03 1xck s GLU 255 Cb -0.17 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1xck s GLU 255 CO -0.09 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1xck n GLY 256 N -1.51 0.37 0.32 -1.39 0.00 -1.26 -2.09 105.19 99.64 1xck n GLY 256 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1xck n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xck h GLU 257 N 0.00 0.01 0.69 1.61 4.22 -1.93 0.24 114.58 119.42 1xck h GLU 257 Ca 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1xck h GLU 257 Cb 0.00 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xck h GLU 257 CO 0.00 0.01 -0.34 0.00 -2.18 0.00 0.00 179.01 176.50 1xck h ALA 258 N 1.89 -0.93 0.18 2.92 0.00 -0.99 0.85 119.26 123.17 1xck h ALA 258 Ca 0.45 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 258 Cb 0.73 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1xck h ALA 258 CO -0.90 -1.03 -0.20 1.25 0.00 0.00 0.00 179.25 178.38 1xck h LEU 259 N -0.93 -0.53 -0.63 0.00 5.85 -0.81 -0.08 115.31 118.18 1xck h LEU 259 Ca -0.09 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.81 1xck h LEU 259 Cb 0.72 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.83 1xck h LEU 259 CO 0.15 -0.29 0.01 0.00 -0.34 0.00 0.00 178.44 177.97 1xck h ALA 260 N 0.34 0.63 -0.75 1.25 0.00 -0.49 0.32 119.26 120.56 1xck h ALA 260 Ca 0.01 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 260 Cb 0.40 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1xck h ALA 260 CO -0.06 -0.39 0.36 1.15 0.00 0.00 0.00 179.25 180.31 1xck h THR 261 N 0.13 1.24 -0.36 0.00 2.02 -0.32 -2.43 112.91 113.19 1xck h THR 261 Ca 0.33 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1xck h THR 261 Cb 0.54 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1xck h THR 261 CO -0.53 0.28 0.08 -0.07 0.37 0.00 0.00 175.52 175.65 1xck h LEU 262 N 1.05 0.55 -1.30 2.58 3.38 0.98 -1.42 115.31 121.12 1xck h LEU 262 Ca 0.26 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1xck h LEU 262 Cb 0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1xck h LEU 262 CO -0.03 0.64 0.53 0.58 0.09 0.00 0.00 178.44 180.25 1xck h VAL 263 N 0.43 0.98 0.12 1.22 2.07 -0.26 -2.72 116.25 118.09 1xck h VAL 263 Ca 0.11 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xck h VAL 263 Cb 0.31 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1xck h VAL 263 CO 0.00 0.15 -0.06 0.58 0.02 0.00 0.00 177.57 178.26 1xck h VAL 264 N 0.80 0.00 -0.80 2.57 2.07 -1.20 -3.15 116.25 116.53 1xck h VAL 264 Ca 0.36 -0.35 0.19 0.00 0.82 0.00 0.00 66.70 67.73 1xck h VAL 264 Cb 0.37 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.00 1xck h VAL 264 CO -0.14 0.00 0.07 0.78 0.02 0.00 0.00 177.57 178.30 1xck h ASN 265 N -0.51 -0.26 0.65 0.57 -0.26 -1.28 0.56 115.58 115.05 1xck h ASN 265 Ca -0.02 0.20 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 1xck h ASN 265 Cb 0.13 0.33 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1xck h ASN 265 CO 0.03 -0.18 -0.20 0.71 -1.06 0.00 0.00 177.43 176.73 1xck h THR 266 N 0.13 0.61 -0.20 2.81 1.35 -1.56 -1.23 112.91 114.81 1xck h THR 266 Ca 0.46 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1xck h THR 266 Cb 0.85 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1xck h THR 266 CO -0.68 0.19 0.00 0.80 -0.25 0.00 0.00 175.52 175.59 1xck n MET 267 N -3.53 2.34 -0.46 4.72 0.00 0.19 -3.21 117.12 117.18 1xck n MET 267 Ca -0.01 -1.10 0.00 0.00 -0.00 0.00 0.00 57.70 56.59 1xck n MET 267 Cb 0.35 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 31.82 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 0.22 0.00 -0.77 2.12 1.74 -0.65 -4.99 116.66 114.33 1xck n ARG 268 Ca 0.10 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.43 1xck n ARG 268 Cb 0.57 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 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 0.00 0.18 2.76 -0.13 0.00 -1.17 -4.86 105.19 101.97 1xck n GLY 269 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.09 3.92 -0.74 -0.61 5.41 -0.56 -4.73 119.36 119.97 1xck n ILE 270 Ca 0.00 -3.61 0.00 0.00 1.00 0.00 0.00 62.75 60.14 1xck n ILE 270 Cb 0.15 -2.49 0.00 0.00 -0.71 0.00 0.00 39.64 36.60 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 4.17 -3.91 -2.78 1.39 0.31 -1.26 -4.22 118.33 112.03 1xck n VAL 271 Ca 0.48 0.62 -0.42 0.00 -0.01 0.00 0.00 64.34 65.01 1xck n VAL 271 Cb 0.37 -2.53 -0.03 0.00 -0.91 0.00 0.00 33.84 30.74 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 -2.68 4.28 0.03 5.55 3.01 -1.26 -3.71 119.74 124.95 1xck s LYS 272 Ca 0.00 1.18 0.01 0.00 -1.01 0.00 0.00 55.97 56.14 1xck s LYS 272 Cb 0.00 -3.60 -0.02 0.00 -1.01 0.00 0.00 37.83 33.19 1xck s LYS 272 CO 0.00 -0.46 -0.04 0.08 0.51 0.00 0.00 175.35 175.44 1xck s VAL 273 N 2.60 0.23 -0.09 3.17 1.01 -1.26 -0.99 120.40 125.07 1xck s VAL 273 Ca 0.41 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1xck s VAL 273 Cb -0.16 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1xck s VAL 273 CO 0.10 -0.51 0.23 0.00 0.00 0.00 0.00 175.10 174.92 1xck s ALA 274 N -1.61 -0.52 0.03 5.51 0.00 -0.11 -4.89 121.76 120.15 1xck s ALA 274 Ca -0.13 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.78 1xck s ALA 274 Cb -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1xck s ALA 274 CO -0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 175.76 175.33 1xck s ALA 275 N 0.92 2.27 0.01 0.00 0.00 -1.26 0.17 121.76 123.86 1xck s ALA 275 Ca -0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 1xck s ALA 275 Cb -0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1xck s ALA 275 CO -0.06 0.54 0.08 0.14 0.00 0.00 0.00 175.76 176.46 1xck s VAL 276 N -0.76 0.09 0.47 0.00 -7.23 0.37 -1.52 120.40 111.81 1xck s VAL 276 Ca 0.11 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1xck s VAL 276 Cb -0.10 -0.35 -0.07 0.00 0.56 0.00 0.00 36.38 36.41 1xck s VAL 276 CO 0.01 -0.39 1.27 -0.54 -0.31 0.00 0.00 175.10 175.15 1xck s LYS 277 N -1.30 3.64 0.76 4.82 1.02 -1.26 -2.87 119.74 124.55 1xck s LYS 277 Ca -0.14 2.05 -0.14 0.00 0.02 0.00 0.00 55.97 57.76 1xck s LYS 277 Cb -0.08 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1xck s LYS 277 CO 0.01 -0.73 1.17 0.00 -0.92 0.00 0.00 175.35 174.88 1xck s ALA 278 N -1.37 2.06 0.44 5.17 0.00 0.12 -4.81 121.76 123.37 1xck s ALA 278 Ca 0.64 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1xck s ALA 278 Cb -0.35 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.26 1xck s ALA 278 CO 0.44 -1.95 1.11 -1.25 0.00 0.00 0.00 175.76 174.11 1xck s PRO 279 N -4.17 3.90 2.39 0.00 0.04 -1.26 -4.88 135.00 131.03 1xck s PRO 279 Ca 0.71 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1xck s PRO 279 Cb -0.26 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1xck s PRO 279 CO 0.48 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1xck n GLY 280 N 0.34 -0.24 3.49 0.56 0.00 -1.26 -4.43 105.19 103.64 1xck n GLY 280 Ca 0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N 0.00 1.04 0.00 1.61 -0.71 -1.26 -4.81 117.98 113.85 1xck s PHE 281 Ca 0.00 -1.27 0.00 0.00 -1.04 0.00 0.00 56.93 54.62 1xck s PHE 281 Cb 0.00 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.72 1xck s PHE 281 CO 0.00 -1.12 0.00 0.41 -1.34 0.00 0.00 175.22 173.17 1xck n GLY 282 N -0.55 1.74 0.32 1.99 0.00 -1.26 -2.36 105.19 105.07 1xck n GLY 282 Ca 0.01 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1xck n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xck h ASP 283 N 7.90 -0.65 -0.19 1.61 3.32 -2.02 -2.84 116.42 123.56 1xck h ASP 283 Ca 0.00 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1xck h ASP 283 Cb 0.00 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xck h ASP 283 CO 0.00 -0.40 0.58 0.08 -1.72 0.00 0.00 179.24 177.79 1xck h ARG 284 N -0.86 0.00 -0.12 3.56 0.11 -1.98 0.63 114.38 115.72 1xck h ARG 284 Ca -0.08 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 1xck h ARG 284 Cb 0.62 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 1xck h ARG 284 CO 0.13 0.00 -0.48 -0.09 0.10 0.00 0.00 179.97 179.63 1xck h ARG 285 N 0.00 0.31 -0.00 0.08 2.43 -1.21 -2.23 114.38 113.75 1xck h ARG 285 Ca 0.09 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 1xck h ARG 285 Cb 1.25 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1xck h ARG 285 CO -0.00 0.72 -0.81 0.87 -1.51 0.00 0.00 179.97 179.24 1xck h LYS 286 N 0.25 0.12 -0.38 0.20 1.57 0.19 -2.57 116.57 115.95 1xck h LYS 286 Ca 0.01 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1xck h LYS 286 Cb 0.94 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1xck h LYS 286 CO 0.08 0.87 -0.30 0.00 -0.57 0.00 0.00 179.45 179.53 1xck h ALA 287 N 1.09 0.76 -0.30 3.86 0.00 -1.33 -3.06 119.26 120.27 1xck h ALA 287 Ca -0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1xck h ALA 287 Cb 1.42 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xck h ALA 287 CO 0.12 0.66 -0.36 0.52 0.00 0.00 0.00 179.25 180.18 1xck h MET 288 N 0.70 0.77 -0.84 0.00 2.86 -1.38 -2.18 114.93 114.87 1xck h MET 288 Ca 0.08 -0.43 0.13 0.00 -2.06 0.00 0.00 59.70 57.42 1xck h MET 288 Cb 0.84 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.47 1xck h MET 288 CO 0.07 1.06 0.54 -0.07 1.06 0.00 0.00 176.91 179.58 1xck h LEU 289 N 0.53 0.60 -0.47 1.22 3.38 -1.43 0.24 115.31 119.38 1xck h LEU 289 Ca 0.04 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1xck h LEU 289 Cb 0.95 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1xck h LEU 289 CO 0.09 0.32 -0.71 -0.61 0.09 0.00 0.00 178.44 177.62 1xck h GLN 290 N 0.65 0.32 -0.14 1.13 5.75 -1.42 -1.17 115.11 120.23 1xck h GLN 290 Ca 0.41 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1xck h GLN 290 Cb 0.67 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1xck h GLN 290 CO -0.17 0.90 0.04 -0.44 -2.65 0.00 0.00 178.83 176.51 1xck h ASP 291 N 0.22 0.04 -0.16 -0.69 3.32 0.04 -0.05 116.42 119.14 1xck h ASP 291 Ca -0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1xck h ASP 291 Cb 1.27 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1xck h ASP 291 CO 0.12 0.04 0.03 0.40 -1.72 0.00 0.00 179.24 178.11 1xck h ILE 292 N 0.11 0.93 -0.27 0.35 2.04 -1.00 -1.80 117.51 117.87 1xck h ILE 292 Ca 0.06 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1xck h ILE 292 Cb 0.04 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1xck h ILE 292 CO -0.06 0.02 -0.45 0.00 0.00 0.00 0.00 178.15 177.65 1xck h ALA 293 N 1.11 -0.57 -0.56 1.87 0.00 -0.76 0.21 119.26 120.56 1xck h ALA 293 Ca 0.07 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 293 Cb 0.06 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1xck h ALA 293 CO -0.10 -0.93 0.10 1.15 0.00 0.00 0.00 179.25 179.47 1xck h THR 294 N -0.43 0.65 -0.62 0.00 2.02 -0.72 0.41 112.91 114.23 1xck h THR 294 Ca 0.10 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1xck h THR 294 Cb 0.61 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1xck h THR 294 CO -0.49 0.04 0.29 0.25 0.37 0.00 0.00 175.52 175.98 1xck h LEU 295 N 0.22 0.82 -2.60 2.58 7.12 -0.50 -2.81 115.31 120.14 1xck h LEU 295 Ca 0.29 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1xck h LEU 295 Cb 0.43 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1xck h LEU 295 CO -0.39 0.73 0.00 0.35 -0.13 0.00 0.00 178.44 178.99 1xck n THR 296 N -4.50 1.43 -4.09 1.05 -2.24 0.67 -0.77 114.28 105.83 1xck n THR 296 Ca 0.04 -0.95 -0.34 0.00 -2.27 0.00 0.00 64.05 60.53 1xck n THR 296 Cb 0.13 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.07 -0.46 0.92 3.38 0.00 0.11 -0.08 105.19 110.12 1xck n GLY 297 Ca 0.21 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.53 2.99 2.85 -0.02 0.00 0.57 -4.61 105.19 105.44 1xck n GLY 298 Ca 0.05 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.66 0.63 0.15 2.61 2.01 0.23 -4.53 115.64 116.08 1xck s THR 299 Ca 0.07 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 1xck s THR 299 Cb -0.01 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1xck s THR 299 CO 0.05 0.29 1.37 -0.69 -0.69 0.00 0.00 174.62 174.94 1xck s VAL 300 N 1.58 3.24 -0.76 3.82 1.01 -1.26 -4.53 120.40 123.49 1xck s VAL 300 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 1xck s VAL 300 Cb -0.13 -3.60 0.20 0.00 0.00 0.00 0.00 36.38 32.86 1xck s VAL 300 CO -0.04 0.09 0.66 -0.63 0.00 0.00 0.00 175.10 175.19 1xck s ILE 301 N 0.77 5.00 -0.15 2.22 1.01 0.84 -4.96 121.20 125.93 1xck s ILE 301 Ca 0.62 -2.64 -0.09 0.00 0.00 0.00 0.00 60.65 58.54 1xck s ILE 301 Cb -0.37 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1xck s ILE 301 CO 0.33 -0.98 0.15 -0.94 0.00 0.00 0.00 174.94 173.50 1xck s SER 302 N 1.67 6.33 0.25 3.58 1.04 -1.26 -1.78 113.70 123.53 1xck s SER 302 Ca 0.18 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 1xck s SER 302 Cb -0.13 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.19 1xck s SER 302 CO -0.07 0.30 1.80 -0.33 0.98 0.00 0.00 173.24 175.92 1xck h GLU 303 N 5.72 0.98 -0.76 4.02 5.08 -1.75 -2.62 114.58 125.25 1xck h GLU 303 Ca -0.49 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1xck h GLU 303 Cb 1.19 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.18 1xck h GLU 303 CO 0.66 0.85 -0.47 0.93 -1.00 0.00 0.00 179.01 179.98 1xck h GLU 304 N 0.95 -0.13 0.00 2.33 5.08 -1.90 2.38 114.58 123.28 1xck h GLU 304 Ca 0.21 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xck h GLU 304 Cb 0.28 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xck h GLU 304 CO -0.01 -0.09 0.00 -0.89 -1.00 0.00 0.00 179.01 177.03 1xck n ILE 305 N -5.38 0.31 -1.16 3.13 5.41 -1.19 -4.82 119.36 115.65 1xck n ILE 305 Ca 0.03 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1xck n ILE 305 Cb 0.34 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 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 -0.24 0.52 3.86 7.39 0.00 0.80 -5.06 105.19 112.46 1xck n GLY 306 Ca 0.08 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.37 3.90 -0.01 1.61 -1.94 -0.99 -4.99 119.30 114.50 1xck s MET 307 Ca 0.00 0.66 0.07 0.00 -1.71 0.00 0.00 55.69 54.71 1xck s MET 307 Cb 0.00 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.49 1xck s MET 307 CO 0.00 -0.04 -0.21 -1.21 -0.01 0.00 0.00 175.02 173.55 1xck s GLU 308 N -3.65 1.68 0.55 2.03 2.02 -1.26 -4.30 118.70 115.77 1xck s GLU 308 Ca 0.54 -0.79 0.30 0.00 0.02 0.00 0.00 54.97 55.04 1xck s GLU 308 Cb -0.10 -1.65 1.57 0.00 0.10 0.00 0.00 34.13 34.04 1xck s GLU 308 CO 0.27 0.45 2.10 -0.07 0.02 0.00 0.00 175.26 178.03 1xck h LEU 309 N 5.49 0.00 -0.54 1.80 3.38 -1.93 -2.45 115.31 121.06 1xck h LEU 309 Ca -0.40 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 1xck h LEU 309 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xck h LEU 309 CO 0.47 0.09 -0.42 -0.33 0.09 0.00 0.00 178.44 178.34 1xck h GLU 310 N 0.00 0.71 -0.72 1.13 3.07 -1.94 -2.82 114.58 114.01 1xck h GLU 310 Ca -0.00 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1xck h GLU 310 Cb 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1xck h GLU 310 CO 0.01 1.00 0.00 1.63 -1.40 0.00 0.00 179.01 180.25 1xck n LYS 311 N -4.03 2.14 -2.96 2.33 5.02 -0.93 -4.77 118.16 114.96 1xck n LYS 311 Ca -0.02 -1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 54.84 1xck n LYS 311 Cb 0.54 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.61 3.57 0.32 7.82 0.00 -1.07 -4.97 121.76 125.82 1xck s ALA 312 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1xck s ALA 312 Cb 0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1xck s ALA 312 CO 0.07 -0.72 0.38 0.95 0.00 0.00 0.00 175.76 176.43 1xck s THR 313 N 2.33 4.03 0.65 0.00 -4.23 -1.26 -4.43 115.64 112.72 1xck s THR 313 Ca 0.34 -1.16 0.28 0.00 -1.18 0.00 0.00 61.69 59.97 1xck s THR 313 Cb -0.16 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.61 1xck s THR 313 CO 0.10 -0.19 1.87 -0.07 -0.54 0.00 0.00 174.62 175.79 1xck h LEU 314 N 1.09 0.00 0.00 4.79 3.38 -1.93 0.02 115.31 122.66 1xck h LEU 314 Ca -0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1xck h LEU 314 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1xck h LEU 314 CO 0.56 0.00 -0.54 -0.08 0.09 0.00 0.00 178.44 178.47 1xck h GLU 315 N 0.00 0.00 0.00 1.13 4.81 -2.00 -3.10 114.58 115.42 1xck h GLU 315 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1xck h GLU 315 Cb 0.84 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1xck h GLU 315 CO -0.00 0.35 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.16 1xck h ASP 316 N 0.00 0.00 -3.97 1.04 3.32 -1.34 -3.43 116.42 112.03 1xck h ASP 316 Ca -0.02 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 1xck h ASP 316 Cb 1.31 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.93 1xck h ASP 316 CO 0.05 0.03 0.51 -0.76 -1.72 0.00 0.00 179.24 177.35 1xck s LEU 317 N -6.27 4.11 0.74 1.55 1.02 -1.17 0.77 118.68 119.43 1xck s LEU 317 Ca 0.02 2.37 -0.05 0.00 0.02 0.00 0.00 54.13 56.49 1xck s LEU 317 Cb 0.09 -4.11 0.10 0.00 0.02 0.00 0.00 46.19 42.29 1xck s LEU 317 CO 0.57 -0.82 1.03 -0.83 0.02 0.00 0.00 176.35 176.32 1xck s GLY 318 N -1.18 1.75 -0.24 -3.19 0.00 0.32 -4.35 107.32 100.42 1xck s GLY 318 Ca 0.60 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 1xck s GLY 318 CO 0.38 -0.78 0.63 1.62 0.00 0.00 0.00 173.10 174.95 1xck s GLN 319 N -5.26 0.70 -0.04 2.90 0.74 0.88 0.33 119.66 119.92 1xck s GLN 319 Ca 0.64 0.97 -0.15 0.00 0.05 0.00 0.00 55.36 56.87 1xck s GLN 319 Cb -0.08 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.33 1xck s GLN 319 CO 0.45 -0.11 0.33 0.00 -0.55 0.00 0.00 175.29 175.41 1xck s ALA 320 N 0.77 -0.82 0.46 1.58 0.00 -1.23 -0.83 121.76 121.69 1xck s ALA 320 Ca -0.03 0.47 0.19 0.00 0.00 0.00 0.00 51.96 52.58 1xck s ALA 320 Cb -0.05 -0.04 1.16 0.00 0.00 0.00 0.00 23.12 24.19 1xck s ALA 320 CO -0.06 -0.25 1.93 0.87 0.00 0.00 0.00 175.76 178.25 1xck h LYS 321 N 4.16 0.28 -1.83 0.00 1.57 -0.81 -3.20 116.57 116.74 1xck h LYS 321 Ca -0.29 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1xck h LYS 321 Cb 1.18 -0.06 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 1xck h LYS 321 CO 0.38 0.19 0.32 0.50 -0.57 0.00 0.00 179.45 180.27 1xck s ARG 322 N -5.29 0.88 -0.00 3.15 3.52 -0.76 -0.52 118.95 119.93 1xck s ARG 322 Ca -0.07 0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1xck s ARG 322 Cb 0.21 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 34.02 1xck s ARG 322 CO 0.76 -0.27 0.01 0.14 -0.81 0.00 0.00 175.30 175.13 1xck s VAL 323 N -1.12 -0.01 -0.04 7.11 -7.23 -0.84 0.40 120.40 118.67 1xck s VAL 323 Ca -0.07 0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1xck s VAL 323 Cb -0.00 -0.02 -0.01 0.00 0.56 0.00 0.00 36.38 36.91 1xck s VAL 323 CO 0.07 0.02 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.99 1xck s VAL 324 N 0.20 1.62 -0.13 1.32 1.01 -0.85 -1.61 120.40 121.97 1xck s VAL 324 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1xck s VAL 324 Cb -0.02 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1xck s VAL 324 CO -0.01 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.84 1xck s ILE 325 N -0.09 1.11 0.00 2.22 1.01 0.32 -0.94 121.20 124.83 1xck s ILE 325 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1xck s ILE 325 Cb -0.12 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1xck s ILE 325 CO 0.02 0.33 0.00 0.59 0.00 0.00 0.00 174.94 175.89 1xck n ASN 326 N 4.91 0.00 0.15 3.58 3.02 0.50 -1.29 115.26 126.13 1xck n ASN 326 Ca -0.13 -0.68 0.02 0.00 -0.03 0.00 0.00 54.58 53.76 1xck n ASN 326 Cb 0.50 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.85 1xck n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xck h LYS 327 N 0.00 0.00 0.00 3.52 3.64 -1.93 -1.80 116.57 119.99 1xck h LYS 327 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xck h LYS 327 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xck h LYS 327 CO 0.00 0.53 -0.40 -0.40 -2.27 0.00 0.00 179.45 176.91 1xck n ASP 328 N -3.51 0.00 -3.80 4.20 5.68 -1.26 -3.87 116.55 113.99 1xck n ASP 328 Ca 0.00 -1.80 -0.13 0.00 -0.50 0.00 0.00 54.79 52.36 1xck n ASP 328 Cb 0.63 -0.16 -0.13 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.02 -0.08 2.12 2.01 -1.17 -2.75 115.64 115.76 1xck s THR 329 Ca 0.00 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1xck s THR 329 Cb 0.00 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1xck s THR 329 CO -0.00 0.02 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.91 1xck s THR 330 N 0.44 1.39 -0.13 -0.82 2.01 -0.62 0.19 115.64 118.10 1xck s THR 330 Ca -0.03 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1xck s THR 330 Cb -0.04 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1xck s THR 330 CO -0.02 0.41 -0.04 0.28 -0.69 0.00 0.00 174.62 174.56 1xck s THR 331 N 0.64 0.89 -0.24 -0.82 -1.32 -0.11 -0.92 115.64 113.76 1xck s THR 331 Ca -0.14 -0.35 -0.18 0.00 -1.21 0.00 0.00 61.69 59.80 1xck s THR 331 Cb -0.16 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1xck s THR 331 CO 0.04 0.22 0.54 -0.63 -2.21 0.00 0.00 174.62 172.58 1xck s ILE 332 N 1.74 5.07 -0.27 5.08 1.01 0.25 -2.00 121.20 132.08 1xck s ILE 332 Ca 0.03 0.95 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 1xck s ILE 332 Cb -0.14 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1xck s ILE 332 CO -0.07 0.11 0.02 -0.63 0.00 0.00 0.00 174.94 174.36 1xck s ILE 333 N 2.12 3.60 -0.31 2.92 1.01 0.16 -1.21 121.20 129.50 1xck s ILE 333 Ca 0.23 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1xck s ILE 333 Cb -0.16 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1xck s ILE 333 CO 0.09 0.19 0.42 -0.67 0.00 0.00 0.00 174.94 174.97 1xck n ASP 334 N 4.81 -6.09 -4.86 3.58 2.03 0.98 -1.83 116.55 115.17 1xck n ASP 334 Ca -0.16 0.35 -0.31 0.00 0.52 0.00 0.00 54.79 55.19 1xck n ASP 334 Cb 0.49 -4.02 -0.01 0.00 -0.72 0.00 0.00 41.12 36.85 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 -2.13 1.87 0.37 0.27 0.00 -0.19 -1.17 107.32 106.33 1xck s GLY 335 Ca 0.16 0.02 0.21 0.00 0.00 0.00 0.00 44.72 45.11 1xck s GLY 335 CO 0.53 0.29 1.50 -2.08 0.00 0.00 0.00 173.10 173.33 1xck h VAL 336 N 0.37 0.25 -0.92 1.40 2.07 -0.91 -3.45 116.25 115.07 1xck h VAL 336 Ca -0.46 -1.37 -0.65 0.00 0.82 0.00 0.00 66.70 65.04 1xck h VAL 336 Cb 1.19 2.08 0.08 0.00 -1.52 0.00 0.00 31.29 33.12 1xck h VAL 336 CO 0.62 0.14 -0.29 0.61 0.02 0.00 0.00 177.57 178.68 1xck n GLY 337 N 1.15 -1.11 3.77 2.17 0.00 0.05 -4.74 105.19 106.48 1xck n GLY 337 Ca 0.03 0.45 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.58 4.09 0.29 1.61 0.41 -1.26 -4.84 118.70 118.43 1xck s GLU 338 Ca 0.68 1.88 0.04 0.00 -0.41 0.00 0.00 54.97 57.15 1xck s GLU 338 Cb -0.97 -2.73 0.66 0.00 -1.78 0.00 0.00 34.13 29.32 1xck s GLU 338 CO 0.52 -0.30 1.80 0.93 -0.49 0.00 0.00 175.26 177.72 1xck h GLU 339 N 2.74 0.84 -0.23 1.61 5.08 -1.97 -0.27 114.58 122.37 1xck h GLU 339 Ca -0.49 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1xck h GLU 339 Cb 1.23 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1xck h GLU 339 CO 0.63 0.56 -0.18 0.00 -1.00 0.00 0.00 179.01 179.02 1xck h ALA 340 N 1.60 -0.02 0.60 3.43 0.00 -1.98 0.58 119.26 123.47 1xck h ALA 340 Ca 0.55 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 1xck h ALA 340 Cb 0.72 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xck h ALA 340 CO -0.33 -0.60 -0.29 0.00 0.00 0.00 0.00 179.25 178.04 1xck h ALA 341 N 0.96 -0.80 -0.70 0.00 0.00 -1.50 -1.82 119.26 115.40 1xck h ALA 341 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 341 Cb 0.37 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1xck h ALA 341 CO -0.34 -0.82 0.35 0.82 0.00 0.00 0.00 179.25 179.26 1xck h ILE 342 N -1.06 0.86 0.00 0.00 2.04 -0.99 -0.15 117.51 118.20 1xck h ILE 342 Ca -0.08 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1xck h ILE 342 Cb 0.67 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1xck h ILE 342 CO 0.13 0.11 -0.41 -0.61 0.00 0.00 0.00 178.15 177.37 1xck h GLN 343 N 0.59 0.00 -0.03 2.37 5.75 0.14 -1.97 115.11 121.97 1xck h GLN 343 Ca 0.34 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.64 1xck h GLN 343 Cb 0.35 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1xck h GLN 343 CO -0.26 0.41 -0.82 0.78 -2.65 0.00 0.00 178.83 176.29 1xck h GLY 344 N 1.56 0.34 1.17 2.39 0.00 -0.39 -2.20 103.07 105.93 1xck h GLY 344 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1xck h GLY 344 CO 0.05 0.48 0.13 -0.09 0.00 0.00 0.00 176.54 177.12 1xck h ARG 345 N 0.19 1.03 -0.55 4.80 9.65 -0.73 -0.98 114.38 127.79 1xck h ARG 345 Ca -0.05 -0.25 -0.09 0.00 -1.10 0.00 0.00 59.98 58.49 1xck h ARG 345 Cb 1.43 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 1xck h ARG 345 CO 0.13 0.93 -0.02 0.28 2.80 0.00 0.00 179.97 184.09 1xck h VAL 346 N 0.97 1.27 -0.29 0.20 2.07 -1.29 -2.53 116.25 116.65 1xck h VAL 346 Ca 0.20 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1xck h VAL 346 Cb 0.38 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1xck h VAL 346 CO 0.01 0.41 0.05 0.00 0.02 0.00 0.00 177.57 178.06 1xck h ALA 347 N 0.95 0.30 0.24 1.67 0.00 -0.74 0.31 119.26 122.00 1xck h ALA 347 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xck h ALA 347 Cb 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xck h ALA 347 CO 0.03 -0.36 -0.24 1.96 0.00 0.00 0.00 179.25 180.64 1xck h GLN 348 N 0.16 -0.47 -0.74 0.00 4.20 -1.03 -0.99 115.11 116.24 1xck h GLN 348 Ca 0.14 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.01 1xck h GLN 348 Cb 0.15 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.94 1xck h GLN 348 CO -0.18 -0.31 0.30 0.82 -0.67 0.00 0.00 178.83 178.78 1xck h ILE 349 N -0.49 0.68 -0.92 2.54 2.04 -1.39 -0.06 117.51 119.91 1xck h ILE 349 Ca -0.03 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1xck h ILE 349 Cb 0.42 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1xck h ILE 349 CO -0.03 0.08 0.60 -0.09 0.00 0.00 0.00 178.15 178.71 1xck h ARG 350 N 0.45 0.99 0.01 2.37 2.43 -0.17 -1.35 114.38 119.11 1xck h ARG 350 Ca 0.40 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.32 1xck h ARG 350 Cb 0.59 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1xck h ARG 350 CO -0.39 0.66 -0.90 0.37 -1.51 0.00 0.00 179.97 178.20 1xck h GLN 351 N 1.02 0.11 0.00 0.20 4.15 0.32 -2.96 115.11 117.95 1xck h GLN 351 Ca 0.40 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1xck h GLN 351 Cb 0.24 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1xck h GLN 351 CO -0.16 0.93 -0.10 1.96 -1.93 0.00 0.00 178.83 179.54 1xck h GLN 352 N 0.06 0.00 0.00 1.69 4.20 -0.05 0.18 115.11 121.18 1xck h GLN 352 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xck h GLN 352 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1xck h GLN 352 CO 0.13 0.10 0.00 0.82 -0.67 0.00 0.00 178.83 179.21 1xck h ILE 353 N 0.00 0.00 0.00 2.54 2.04 -1.17 -1.43 117.51 119.48 1xck h ILE 353 Ca -0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xck h ILE 353 Cb 0.28 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1xck h ILE 353 CO 0.01 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.66 1xck h GLU 354 N 0.00 0.00 0.00 2.37 4.39 -1.07 -3.27 114.58 117.00 1xck h GLU 354 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xck h GLU 354 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1xck h GLU 354 CO 0.00 0.72 0.00 0.39 -1.16 0.00 0.00 179.01 178.96 1xck n GLU 355 N -4.63 0.38 -1.70 2.33 1.02 -1.05 -4.74 120.64 112.26 1xck n GLU 355 Ca -0.10 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1xck n GLU 355 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.03 2.93 -0.54 0.62 0.00 -0.57 -4.85 121.76 117.32 1xck s ALA 356 Ca 0.18 0.79 0.12 0.00 0.00 0.00 0.00 51.96 53.06 1xck s ALA 356 Cb 0.09 -4.01 0.67 0.00 0.00 0.00 0.00 23.12 19.87 1xck s ALA 356 CO 0.15 -2.51 1.54 0.25 0.00 0.00 0.00 175.76 175.18 1xck n THR 357 N 7.24 2.16 -3.68 0.00 -2.24 -1.26 -4.88 114.28 111.62 1xck n THR 357 Ca 0.27 -1.13 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 1xck n THR 357 Cb 0.45 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.68 -0.64 0.17 3.42 0.15 -1.26 -5.05 113.70 109.81 1xck s SER 358 Ca 0.45 1.14 -0.14 0.00 0.70 0.00 0.00 55.95 58.10 1xck s SER 358 Cb 0.33 1.09 0.13 0.00 -1.71 0.00 0.00 66.02 65.86 1xck s SER 358 CO 0.15 -0.20 1.73 0.44 1.20 0.00 0.00 173.24 176.56 1xck h ASP 359 N 6.09 0.08 0.20 5.45 3.32 -1.99 -0.24 116.42 129.32 1xck h ASP 359 Ca -0.31 0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1xck h ASP 359 Cb 1.19 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1xck h ASP 359 CO 0.19 0.08 -0.23 0.22 -1.72 0.00 0.00 179.24 177.78 1xck h TYR 360 N 0.26 -0.61 -0.87 4.55 3.20 -1.99 -0.20 116.97 121.31 1xck h TYR 360 Ca 0.21 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.16 1xck h TYR 360 Cb 0.24 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.68 1xck h TYR 360 CO -0.18 -0.34 0.53 -0.44 -1.64 0.00 0.00 178.16 176.08 1xck h ASP 361 N -0.48 0.80 -0.33 -2.11 5.19 -1.89 -0.20 116.42 117.40 1xck h ASP 361 Ca 0.01 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1xck h ASP 361 Cb 0.46 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1xck h ASP 361 CO -0.08 0.48 0.14 -0.09 -3.12 0.00 0.00 179.24 176.58 1xck h ARG 362 N 0.92 0.49 -0.60 3.56 2.43 -0.71 -1.76 114.38 118.72 1xck h ARG 362 Ca 0.40 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1xck h ARG 362 Cb 0.27 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1xck h ARG 362 CO -0.21 0.48 0.30 0.93 -1.51 0.00 0.00 179.97 179.97 1xck h GLU 363 N 0.39 0.85 -0.91 0.20 5.08 -0.17 -0.82 114.58 119.22 1xck h GLU 363 Ca 0.11 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1xck h GLU 363 Cb 0.17 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1xck h GLU 363 CO -0.01 0.68 0.60 0.87 -1.00 0.00 0.00 179.01 180.14 1xck h LYS 364 N 0.82 1.16 -0.38 2.33 1.79 -0.85 -0.86 116.57 120.58 1xck h LYS 364 Ca 0.21 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1xck h LYS 364 Cb 0.09 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1xck h LYS 364 CO -0.03 0.77 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.99 1xck h LEU 365 N 1.19 0.70 -1.15 2.94 3.38 -0.90 -2.60 115.31 118.86 1xck h LEU 365 Ca 0.35 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xck h LEU 365 Cb -0.08 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1xck h LEU 365 CO -0.09 0.87 0.58 1.56 0.09 0.00 0.00 178.44 181.45 1xck h GLN 366 N 0.51 1.07 -0.41 1.13 4.20 -0.74 -1.79 115.11 119.08 1xck h GLN 366 Ca 0.10 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1xck h GLN 366 Cb 0.54 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1xck h GLN 366 CO 0.03 0.71 0.08 0.93 -0.67 0.00 0.00 178.83 179.91 1xck h GLU 367 N 1.10 0.21 -0.25 1.46 5.08 -0.80 -0.92 114.58 120.46 1xck h GLU 367 Ca 0.35 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1xck h GLU 367 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xck h GLU 367 CO -0.10 0.14 -0.07 0.00 -1.00 0.00 0.00 179.01 177.98 1xck h ARG 368 N 0.21 0.49 -0.86 2.33 3.08 -1.10 -2.55 114.38 115.98 1xck h ARG 368 Ca 0.20 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 368 Cb 0.24 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1xck h ARG 368 CO -0.26 0.71 0.56 -0.39 -1.07 0.00 0.00 179.97 179.53 1xck h VAL 369 N 0.23 1.20 -0.63 2.04 -1.51 -1.12 -1.89 116.25 114.56 1xck h VAL 369 Ca 0.06 -0.39 0.08 0.00 -1.23 0.00 0.00 66.70 65.22 1xck h VAL 369 Cb 0.54 -0.04 -0.06 0.00 -2.13 0.00 0.00 31.29 29.59 1xck h VAL 369 CO 0.03 0.21 0.30 0.00 -1.23 0.00 0.00 177.57 176.87 1xck h ALA 370 N 1.33 0.84 0.02 5.19 0.00 -1.07 0.16 119.26 125.72 1xck h ALA 370 Ca 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xck h ALA 370 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 370 CO -0.08 -0.09 -0.01 0.87 0.00 0.00 0.00 179.25 179.94 1xck h LYS 371 N 0.53 -0.02 0.59 0.00 1.57 -0.96 0.25 116.57 118.54 1xck h LYS 371 Ca 0.31 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1xck h LYS 371 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xck h LYS 371 CO -0.25 0.20 -0.29 1.25 -0.57 0.00 0.00 179.45 179.79 1xck h LEU 372 N -0.24 -0.68 -1.24 2.94 5.85 -1.02 -3.07 115.31 117.86 1xck h LEU 372 Ca -0.00 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1xck h LEU 372 Cb 0.23 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xck h LEU 372 CO 0.00 -0.36 -0.37 0.00 -0.34 0.00 0.00 178.44 177.37 1xck h ALA 373 N -0.72 1.31 -0.61 1.25 0.00 -0.79 -3.27 119.26 116.44 1xck h ALA 373 Ca -0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1xck h ALA 373 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xck h ALA 373 CO 0.13 0.47 0.01 0.78 0.00 0.00 0.00 179.25 180.64 1xck h GLY 374 N 1.24 1.15 0.00 0.00 0.00 -0.49 -3.49 103.07 101.47 1xck h GLY 374 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1xck h GLY 374 CO 0.05 0.76 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1xck n GLY 375 N -0.46 -1.11 2.87 4.60 0.00 -1.16 -4.89 105.19 105.04 1xck n GLY 375 Ca 0.03 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 0.44 0.23 1.61 1.01 0.22 -4.43 120.40 119.49 1xck s VAL 376 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1xck s VAL 376 Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 1xck s VAL 376 CO 0.00 0.21 0.90 0.00 0.00 0.00 0.00 175.10 176.21 1xck s ALA 377 N 0.97 3.35 -0.18 5.51 0.00 0.02 -0.51 121.76 130.92 1xck s ALA 377 Ca -0.10 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1xck s ALA 377 Cb -0.14 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.88 1xck s ALA 377 CO -0.00 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.03 1xck s VAL 378 N -1.23 1.01 -0.22 0.00 1.01 0.83 -0.38 120.40 121.41 1xck s VAL 378 Ca 0.41 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1xck s VAL 378 Cb -0.24 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1xck s VAL 378 CO 0.30 0.04 0.25 -0.63 0.00 0.00 0.00 175.10 175.06 1xck s ILE 379 N 1.66 5.30 -0.26 2.22 1.01 0.92 -2.32 121.20 129.73 1xck s ILE 379 Ca -0.00 0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.99 1xck s ILE 379 Cb -0.16 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1xck s ILE 379 CO -0.07 0.31 0.02 -0.54 0.00 0.00 0.00 174.94 174.65 1xck s LYS 380 N 1.15 3.20 -0.44 2.79 1.02 -0.04 -0.37 119.74 127.06 1xck s LYS 380 Ca 0.12 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.11 1xck s LYS 380 Cb -0.14 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1xck s LYS 380 CO 0.06 -0.33 0.85 0.08 -0.92 0.00 0.00 175.35 175.09 1xck s VAL 381 N 1.47 4.58 0.51 3.17 1.01 -0.87 -1.74 120.40 128.54 1xck s VAL 381 Ca 0.04 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1xck s VAL 381 Cb -0.16 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1xck s VAL 381 CO -0.00 -0.71 0.79 -0.83 0.00 0.00 0.00 175.10 174.35 1xck s GLY 382 N 2.13 1.55 0.00 4.51 0.00 -1.23 -1.76 107.32 112.52 1xck s GLY 382 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1xck s GLY 382 CO 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 173.10 172.79 1xck n ALA 383 N -2.32 0.00 -2.03 3.20 0.00 -1.26 -4.31 120.51 113.79 1xck n ALA 383 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xck n ALA 383 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 1xck n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xck n ALA 384 N -0.12 -3.22 0.00 0.00 0.00 -1.26 -4.69 120.51 111.21 1xck n ALA 384 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1xck n ALA 384 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1xck n ALA 384 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 385 N 0.33 0.00 -0.35 0.00 -2.24 -1.26 -4.76 114.28 106.00 1xck n THR 385 Ca -0.01 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.01 1xck n THR 385 Cb 0.01 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 68.74 1xck n THR 385 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xck h GLU 386 N 0.00 0.36 0.92 -0.78 4.81 -1.99 -2.12 114.58 115.78 1xck h GLU 386 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1xck h GLU 386 Cb 0.00 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xck h GLU 386 CO 0.00 0.24 -0.44 0.28 -0.73 0.00 0.00 179.01 178.35 1xck h VAL 387 N 0.37 0.06 -0.94 0.32 2.07 -1.99 0.93 116.25 117.07 1xck h VAL 387 Ca 0.68 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 68.26 1xck h VAL 387 Cb 1.66 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1xck h VAL 387 CO -0.43 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.43 1xck h GLU 388 N -1.28 0.87 0.52 1.57 5.08 -1.72 -0.01 114.58 119.61 1xck h GLU 388 Ca -0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1xck h GLU 388 Cb 0.95 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xck h GLU 388 CO 0.21 0.57 -0.25 1.98 -1.00 0.00 0.00 179.01 180.52 1xck h MET 389 N 0.89 -0.67 -0.85 2.33 4.05 -1.20 0.83 114.93 120.32 1xck h MET 389 Ca 0.45 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.99 1xck h MET 389 Cb 0.50 0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 31.39 1xck h MET 389 CO -0.21 -0.42 0.52 0.87 0.23 0.00 0.00 176.91 177.89 1xck h LYS 390 N -0.74 0.90 0.88 0.39 1.79 -0.23 0.29 116.57 119.85 1xck h LYS 390 Ca -0.07 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1xck h LYS 390 Cb 0.55 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1xck h LYS 390 CO 0.12 0.60 -0.42 1.49 -1.08 0.00 0.00 179.45 180.15 1xck h GLU 391 N 0.93 -1.14 -0.80 3.15 4.22 -0.76 -2.49 114.58 117.69 1xck h GLU 391 Ca 0.38 0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.95 1xck h GLU 391 Cb 0.21 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1xck h GLU 391 CO -0.19 -0.76 0.52 -0.22 -2.18 0.00 0.00 179.01 176.19 1xck h LYS 392 N -1.21 0.89 -0.88 1.92 3.64 -0.64 -1.64 116.57 118.65 1xck h LYS 392 Ca -0.12 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1xck h LYS 392 Cb 0.91 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 1xck h LYS 392 CO 0.20 0.59 0.54 -0.22 -2.27 0.00 0.00 179.45 178.29 1xck h LYS 393 N 0.92 0.92 -0.14 1.90 3.64 -0.77 0.15 116.57 123.19 1xck h LYS 393 Ca 0.33 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1xck h LYS 393 Cb 0.15 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1xck h LYS 393 CO -0.11 0.61 0.01 0.00 -2.27 0.00 0.00 179.45 177.69 1xck h ALA 394 N 1.44 0.19 -0.71 5.00 0.00 -0.86 -0.84 119.26 123.48 1xck h ALA 394 Ca 0.40 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1xck h ALA 394 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 394 CO -0.20 -0.13 0.47 0.00 0.00 0.00 0.00 179.25 179.39 1xck h ARG 395 N -0.01 0.75 -0.09 0.00 3.08 -0.79 -0.80 114.38 116.52 1xck h ARG 395 Ca 0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xck h ARG 395 Cb 0.34 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1xck h ARG 395 CO 0.01 0.50 -0.01 0.28 -1.07 0.00 0.00 179.97 179.67 1xck h VAL 396 N 0.77 1.28 -0.65 2.04 2.07 -0.45 -1.02 116.25 120.28 1xck h VAL 396 Ca 0.30 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 67.03 1xck h VAL 396 Cb 0.21 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1xck h VAL 396 CO -0.10 0.25 0.28 -0.33 0.02 0.00 0.00 177.57 177.70 1xck h GLU 397 N -0.14 0.48 0.58 1.57 5.08 -0.32 0.17 114.58 121.99 1xck h GLU 397 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1xck h GLU 397 Cb 0.40 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xck h GLU 397 CO 0.01 0.31 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.61 1xck h ASP 398 N 0.49 -0.66 -0.75 1.42 3.32 -1.07 -2.26 116.42 116.92 1xck h ASP 398 Ca 0.33 -0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.51 1xck h ASP 398 Cb 0.38 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1xck h ASP 398 CO -0.29 -0.36 0.51 0.00 -1.72 0.00 0.00 179.24 177.38 1xck h ALA 399 N -0.64 2.27 -0.04 3.45 0.00 -0.89 -0.12 119.26 123.28 1xck h ALA 399 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 399 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xck h ALA 399 CO 0.13 -0.48 0.01 1.25 0.00 0.00 0.00 179.25 180.17 1xck h LEU 400 N 0.30 0.06 -1.08 0.00 5.85 -0.42 0.04 115.31 120.06 1xck h LEU 400 Ca 0.37 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1xck h LEU 400 Cb 1.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1xck h LEU 400 CO -0.10 0.26 0.15 -0.74 -0.34 0.00 0.00 178.44 177.68 1xck h HIS 401 N -0.14 0.82 0.10 1.25 2.76 -0.50 -0.29 115.15 119.14 1xck h HIS 401 Ca 0.01 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1xck h HIS 401 Cb 0.22 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1xck h HIS 401 CO -0.00 0.68 -0.05 0.00 -1.30 0.00 0.00 177.93 177.26 1xck h ALA 402 N 1.39 -0.14 -0.56 5.26 0.00 -0.94 -2.82 119.26 121.44 1xck h ALA 402 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 402 Cb 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 402 CO -0.01 -0.40 0.34 1.15 0.00 0.00 0.00 179.25 180.34 1xck h THR 403 N -0.50 1.16 -0.01 0.00 2.02 -0.81 0.39 112.91 115.16 1xck h THR 403 Ca -0.01 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1xck h THR 403 Cb 0.41 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xck h THR 403 CO 0.02 0.16 -0.10 -0.09 0.37 0.00 0.00 175.52 175.88 1xck h ARG 404 N 0.76 -0.16 -0.71 6.66 1.12 -1.01 0.33 114.38 121.37 1xck h ARG 404 Ca 0.20 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.02 1xck h ARG 404 Cb -0.04 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 1xck h ARG 404 CO -0.04 -0.11 0.20 0.00 -3.11 0.00 0.00 179.97 176.91 1xck h ALA 405 N 0.81 1.00 -0.85 2.80 0.00 -1.12 -2.59 119.26 119.32 1xck h ALA 405 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xck h ALA 405 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 405 CO -0.11 0.66 0.45 0.00 0.00 0.00 0.00 179.25 180.25 1xck h ALA 406 N 1.14 1.09 0.00 0.00 0.00 -0.51 -1.76 119.26 119.22 1xck h ALA 406 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 406 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 406 CO -0.00 0.61 -0.25 0.28 0.00 0.00 0.00 179.25 179.89 1xck h VAL 407 N 1.19 0.99 0.16 0.00 2.07 -0.64 0.44 116.25 120.46 1xck h VAL 407 Ca 0.30 -0.91 -0.28 0.00 0.82 0.00 0.00 66.70 66.63 1xck h VAL 407 Cb 0.05 1.51 0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1xck h VAL 407 CO -0.05 0.24 -1.21 -0.33 0.02 0.00 0.00 177.57 176.25 1xck h GLU 408 N 0.00 0.54 0.00 1.57 5.08 -0.97 -3.43 114.58 117.37 1xck h GLU 408 Ca -0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1xck h GLU 408 Cb 0.49 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1xck h GLU 408 CO 0.03 1.36 -0.12 0.39 -1.00 0.00 0.00 179.01 179.68 1xck n GLU 409 N -3.85 0.66 0.00 2.33 1.02 -0.83 -5.09 120.64 114.87 1xck n GLU 409 Ca -0.15 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.02 1xck n GLU 409 Cb 0.98 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 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 -0.21 -2.05 3.24 0.62 0.00 0.14 -4.42 105.19 102.51 1xck n GLY 410 Ca 0.01 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 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 1.34 0.18 1.61 -7.23 0.14 -0.65 120.40 115.79 1xck s VAL 411 Ca 0.00 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1xck s VAL 411 Cb 0.00 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1xck s VAL 411 CO 0.00 -0.41 0.05 0.68 -0.31 0.00 0.00 175.10 175.10 1xck s VAL 412 N -2.14 0.44 0.29 1.32 -7.23 -0.42 -0.44 120.40 112.22 1xck s VAL 412 Ca 0.09 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1xck s VAL 412 Cb -0.05 -2.24 -0.13 0.00 0.56 0.00 0.00 36.38 34.52 1xck s VAL 412 CO 0.03 -0.33 1.35 0.00 -0.31 0.00 0.00 175.10 175.84 1xck n ALA 413 N -0.25 1.25 -1.72 1.32 0.00 -1.26 -1.22 120.51 118.62 1xck n ALA 413 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xck n ALA 413 Cb 0.64 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1xck n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 414 N 1.45 1.42 2.39 0.00 0.00 0.13 -3.14 105.19 107.43 1xck n GLY 414 Ca 0.08 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 1xck n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 415 N 5.00 0.25 3.01 -0.02 0.00 -1.26 -1.48 105.19 110.68 1xck n GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xck n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 416 N -0.72 0.65 0.07 -0.02 0.00 -1.26 -4.46 105.19 99.46 1xck n GLY 416 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 1.67 -0.41 1.61 -1.51 -1.48 -3.09 116.25 113.05 1xck h VAL 417 Ca 0.00 -3.26 0.03 0.00 -1.23 0.00 0.00 66.70 62.24 1xck h VAL 417 Cb 0.06 2.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.97 1xck h VAL 417 CO 0.00 0.93 0.21 0.00 -1.23 0.00 0.00 177.57 177.48 1xck h ALA 418 N 1.01 0.51 -0.76 5.19 0.00 -1.72 0.37 119.26 123.87 1xck h ALA 418 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 418 Cb 1.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1xck h ALA 418 CO 0.13 -0.14 0.30 -0.07 0.00 0.00 0.00 179.25 179.47 1xck h LEU 419 N 0.43 1.03 -0.40 0.00 3.38 -1.85 0.37 115.31 118.27 1xck h LEU 419 Ca 0.17 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1xck h LEU 419 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xck h LEU 419 CO -0.11 0.91 -0.74 -0.29 0.09 0.00 0.00 178.44 178.30 1xck h ILE 420 N 1.10 1.39 -0.01 1.22 2.10 -1.35 -1.83 117.51 120.13 1xck h ILE 420 Ca 0.25 -2.17 -0.00 0.00 1.08 0.00 0.00 64.86 64.02 1xck h ILE 420 Cb 0.20 2.14 -0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1xck h ILE 420 CO -0.02 0.65 0.00 -0.09 -1.08 0.00 0.00 178.15 177.61 1xck h ARG 421 N 0.25 0.01 -0.59 2.19 9.65 0.13 -1.24 114.38 124.79 1xck h ARG 421 Ca -0.03 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1xck h ARG 421 Cb 1.31 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.86 1xck h ARG 421 CO 0.12 0.17 0.29 0.28 2.80 0.00 0.00 179.97 183.63 1xck h VAL 422 N -0.15 1.19 -0.43 0.20 2.07 -0.93 -2.58 116.25 115.63 1xck h VAL 422 Ca 0.00 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1xck h VAL 422 Cb 0.16 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1xck h VAL 422 CO -0.00 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 1xck h ALA 423 N 1.49 0.59 0.00 1.67 0.00 -1.05 -2.72 119.26 119.23 1xck h ALA 423 Ca 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xck h ALA 423 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xck h ALA 423 CO -0.03 0.47 -0.02 0.66 0.00 0.00 0.00 179.25 180.33 1xck h SER 424 N 0.65 0.00 1.30 0.00 4.64 -0.84 -1.71 113.55 117.60 1xck h SER 424 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1xck h SER 424 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1xck h SER 424 CO 0.04 0.02 -0.05 0.29 -0.87 0.00 0.00 176.83 176.26 1xck n LYS 425 N -3.81 0.19 -0.85 4.77 5.02 -1.03 -3.86 118.16 118.59 1xck n LYS 425 Ca -0.03 0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1xck n LYS 425 Cb 0.10 -1.72 0.29 0.00 -0.02 0.00 0.00 35.03 33.69 1xck n LYS 425 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xck n LEU 426 N -2.05 5.31 -0.34 -0.35 4.77 -0.64 -4.70 117.00 119.00 1xck n LEU 426 Ca 0.06 -3.22 0.08 0.00 -0.03 0.00 0.00 56.01 52.90 1xck n LEU 426 Cb 0.41 -0.68 0.27 0.00 -2.33 0.00 0.00 43.42 41.09 1xck n LEU 426 CO 0.30 0.81 1.23 0.00 -1.33 0.00 0.00 177.39 178.41 1xck h ALA 427 N 2.40 1.59 -0.01 -1.18 0.00 -1.69 -1.76 119.26 118.61 1xck h ALA 427 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 427 Cb 2.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1xck h ALA 427 CO 0.55 0.17 -0.08 -0.25 0.00 0.00 0.00 179.25 179.64 1xck n ASP 428 N -4.60 0.70 -4.71 0.00 8.00 -1.26 -4.90 116.55 109.79 1xck n ASP 428 Ca 0.18 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1xck n ASP 428 Cb 0.37 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.29 4.38 0.22 0.64 2.96 -0.66 -4.99 118.68 118.94 1xck s LEU 429 Ca 0.34 2.83 0.03 0.00 -0.22 0.00 0.00 54.13 57.10 1xck s LEU 429 Cb 0.20 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1xck s LEU 429 CO 0.43 -0.98 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.34 1xck s ARG 430 N 1.65 1.28 0.00 1.98 1.81 -1.26 -4.96 118.95 119.45 1xck s ARG 430 Ca 0.76 -1.64 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1xck s ARG 430 Cb -0.48 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.46 1xck s ARG 430 CO 0.33 -0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 1xck n GLY 431 N -0.38 5.99 0.05 -3.53 0.00 -1.26 -5.01 105.19 101.05 1xck n GLY 431 Ca -0.06 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1xck n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xck n GLN 432 N 0.00 0.21 -3.82 1.61 6.02 -1.26 -4.90 117.38 115.23 1xck n GLN 432 Ca 0.00 -0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 56.83 1xck n GLN 432 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1xck n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xck s ASN 433 N -2.86 -0.23 0.39 1.08 2.20 -1.26 -5.03 114.94 109.24 1xck s ASN 433 Ca 0.16 -0.54 0.06 0.00 -0.94 0.00 0.00 52.86 51.60 1xck s ASN 433 Cb 0.18 0.65 0.79 0.00 -2.00 0.00 0.00 41.25 40.87 1xck s ASN 433 CO 0.61 -1.20 2.02 -0.08 -2.94 0.00 0.00 177.10 175.51 1xck h GLU 434 N 2.00 0.64 -0.49 3.55 4.57 -1.99 -1.31 114.58 121.56 1xck h GLU 434 Ca -0.21 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1xck h GLU 434 Cb 1.24 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1xck h GLU 434 CO 0.24 0.43 0.27 -0.44 -1.18 0.00 0.00 179.01 178.32 1xck h ASP 435 N 0.66 0.61 0.24 1.04 3.32 -1.96 -0.89 116.42 119.45 1xck h ASP 435 Ca 0.22 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1xck h ASP 435 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1xck h ASP 435 CO -0.06 0.53 -0.33 1.56 -1.72 0.00 0.00 179.24 179.23 1xck h GLN 436 N 0.65 0.15 -0.26 3.56 4.20 -1.50 -1.46 115.11 120.45 1xck h GLN 436 Ca 0.17 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1xck h GLN 436 Cb 0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1xck h GLN 436 CO -0.03 0.46 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.44 1xck h ASN 437 N 0.13 0.49 -0.24 1.46 2.35 -0.57 -0.26 115.58 118.94 1xck h ASN 437 Ca 0.02 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 1xck h ASN 437 Cb 0.65 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1xck h ASN 437 CO 0.05 0.74 -0.43 0.58 -1.65 0.00 0.00 177.43 176.72 1xck h VAL 438 N 0.44 1.31 -0.78 2.81 2.07 -0.79 -2.13 116.25 119.17 1xck h VAL 438 Ca 0.07 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.03 1xck h VAL 438 Cb 0.66 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1xck h VAL 438 CO 0.05 0.52 0.45 1.23 0.02 0.00 0.00 177.57 179.83 1xck h GLY 439 N 0.43 1.20 0.96 2.17 0.00 -0.85 0.33 103.07 107.30 1xck h GLY 439 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xck h GLY 439 CO 0.10 0.14 0.18 -2.22 0.00 0.00 0.00 176.54 174.74 1xck h ILE 440 N 0.77 1.14 -0.49 2.60 2.04 -0.87 -2.25 117.51 120.46 1xck h ILE 440 Ca 0.37 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1xck h ILE 440 Cb 0.31 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1xck h ILE 440 CO -0.23 0.15 0.03 0.11 0.00 0.00 0.00 178.15 178.21 1xck h LYS 441 N 0.42 0.78 -0.57 2.37 1.79 -0.57 -0.81 116.57 119.98 1xck h LYS 441 Ca 0.12 -0.19 0.06 0.00 -2.18 0.00 0.00 60.65 58.45 1xck h LYS 441 Cb 0.08 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 1xck h LYS 441 CO -0.02 0.77 0.29 0.28 -1.08 0.00 0.00 179.45 179.69 1xck h VAL 442 N 0.74 0.93 -0.27 0.50 2.07 -0.06 0.88 116.25 121.04 1xck h VAL 442 Ca 0.15 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1xck h VAL 442 Cb 0.40 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1xck h VAL 442 CO 0.01 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 177.62 1xck h ALA 443 N 1.32 0.37 -0.87 1.67 0.00 -0.96 -1.23 119.26 119.56 1xck h ALA 443 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 443 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 443 CO -0.19 0.19 0.44 -0.07 0.00 0.00 0.00 179.25 179.63 1xck h LEU 444 N 0.27 1.11 -0.22 0.00 3.38 -0.77 -1.91 115.31 117.17 1xck h LEU 444 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xck h LEU 444 Cb 0.57 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xck h LEU 444 CO 0.03 0.92 0.04 0.03 0.09 0.00 0.00 178.44 179.55 1xck h ARG 445 N 1.23 0.36 -0.62 1.13 3.08 -0.74 -2.84 114.38 115.97 1xck h ARG 445 Ca 0.30 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.38 1xck h ARG 445 Cb 0.08 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1xck h ARG 445 CO -0.04 0.50 0.42 0.00 -1.07 0.00 0.00 179.97 179.78 1xck h ALA 446 N 0.85 2.15 0.00 0.04 0.00 -0.84 -1.27 119.26 120.19 1xck h ALA 446 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 446 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xck h ALA 446 CO 0.00 -0.31 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 1xck n MET 447 N -4.45 0.02 0.01 0.00 2.81 -0.75 -0.56 117.12 114.18 1xck n MET 447 Ca 0.11 0.38 0.11 0.00 -1.81 0.00 0.00 57.70 56.49 1xck n MET 447 Cb 0.47 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.51 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 -1.45 0.10 0.01 0.03 1.02 -0.48 -3.73 120.64 116.14 1xck n GLU 448 Ca 0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1xck n GLU 448 Cb 0.05 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.85 -0.56 0.03 0.62 0.00 -0.95 -1.68 119.26 119.56 1xck h ALA 449 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 449 Cb 0.58 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1xck h ALA 449 CO 0.00 -0.91 -0.50 -1.35 0.00 0.00 0.00 179.25 176.49 1xck h PRO 450 N -0.49 -0.64 0.04 0.00 0.11 -1.79 0.50 132.00 129.73 1xck h PRO 450 Ca 0.07 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xck h PRO 450 Cb 0.62 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 1xck h PRO 450 CO -0.37 -0.43 -0.19 1.25 -0.21 0.00 0.00 178.00 178.05 1xck h LEU 451 N -0.66 -0.55 -0.65 2.35 6.46 -1.72 -0.47 115.31 120.06 1xck h LEU 451 Ca 0.02 0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1xck h LEU 451 Cb 0.71 0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 40.77 1xck h LEU 451 CO -0.33 -0.26 0.12 0.03 -0.62 0.00 0.00 178.44 177.37 1xck h ARG 452 N -0.33 0.23 -0.35 1.25 3.08 -1.06 0.63 114.38 117.82 1xck h ARG 452 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xck h ARG 452 Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1xck h ARG 452 CO -0.15 0.15 0.21 0.37 -1.07 0.00 0.00 179.97 179.48 1xck h GLN 453 N 0.23 0.47 -0.02 0.04 5.75 -0.25 0.18 115.11 121.52 1xck h GLN 453 Ca 0.35 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.83 1xck h GLN 453 Cb 0.56 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1xck h GLN 453 CO -0.47 0.37 -0.16 0.82 -2.65 0.00 0.00 178.83 176.74 1xck h ILE 454 N 0.45 0.60 -0.97 2.39 2.04 0.04 0.16 117.51 122.22 1xck h ILE 454 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1xck h ILE 454 Cb 0.02 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1xck h ILE 454 CO -0.02 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.34 1xck h VAL 455 N -0.26 1.15 -0.33 1.67 2.07 -0.65 -2.09 116.25 117.80 1xck h VAL 455 Ca 0.06 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1xck h VAL 455 Cb 0.34 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1xck h VAL 455 CO -0.17 0.22 0.15 0.25 0.02 0.00 0.00 177.57 178.04 1xck h LEU 456 N 1.20 0.45 -2.36 2.57 5.85 0.20 -1.84 115.31 121.38 1xck h LEU 456 Ca 0.39 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1xck h LEU 456 Cb 0.05 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1xck h LEU 456 CO -0.13 0.47 -0.02 0.78 -0.34 0.00 0.00 178.44 179.20 1xck h ASN 457 N 0.40 0.00 0.80 1.25 2.35 -0.09 -0.33 115.58 119.96 1xck h ASN 457 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xck h ASN 457 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1xck h ASN 457 CO -0.01 0.02 -0.13 0.00 -1.65 0.00 0.00 177.43 175.66 1xck n GLY 459 N 1.47 0.50 3.77 0.00 0.00 -0.13 -5.07 105.19 105.74 1xck n GLY 459 Ca 0.08 -0.88 -0.23 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 -2.71 2.42 -0.48 1.61 0.41 -0.81 -5.04 118.70 114.10 1xck s GLU 460 Ca 0.00 -1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 52.71 1xck s GLU 460 Cb 0.00 -2.22 0.03 0.00 -1.78 0.00 0.00 34.13 30.16 1xck s GLU 460 CO 0.00 0.02 1.20 -1.21 -0.49 0.00 0.00 175.26 174.78 1xck s GLU 461 N -3.92 3.66 0.16 1.61 2.02 -1.26 -4.27 118.70 116.70 1xck s GLU 461 Ca 0.40 0.59 -0.18 0.00 0.02 0.00 0.00 54.97 55.80 1xck s GLU 461 Cb -0.02 -3.95 0.07 0.00 0.10 0.00 0.00 34.13 30.34 1xck s GLU 461 CO 0.24 -1.47 1.67 -1.35 0.02 0.00 0.00 175.26 174.37 1xck h PRO 462 N 9.57 -0.03 -0.55 0.39 0.11 -1.87 -2.11 132.00 137.52 1xck h PRO 462 Ca -0.24 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.92 1xck h PRO 462 Cb 1.07 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1xck h PRO 462 CO 1.13 -0.02 0.36 0.66 -0.21 0.00 0.00 178.00 179.92 1xck h SER 463 N -0.03 0.48 0.11 -2.05 4.64 -1.94 0.44 113.55 115.20 1xck h SER 463 Ca 0.17 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1xck h SER 463 Cb 0.30 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1xck h SER 463 CO -0.38 0.32 -0.05 0.58 -0.87 0.00 0.00 176.83 176.42 1xck h VAL 464 N 0.55 1.10 -0.35 0.95 2.07 -1.81 -1.10 116.25 117.65 1xck h VAL 464 Ca 0.23 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1xck h VAL 464 Cb 0.22 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1xck h VAL 464 CO -0.06 0.26 0.22 0.58 0.02 0.00 0.00 177.57 178.59 1xck h VAL 465 N -0.71 1.11 -0.36 2.57 2.07 -1.11 -1.33 116.25 118.50 1xck h VAL 465 Ca -0.01 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1xck h VAL 465 Cb 0.54 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1xck h VAL 465 CO 0.02 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 1xck h ALA 466 N 1.11 0.31 -0.44 1.67 0.00 -0.17 -0.91 119.26 120.83 1xck h ALA 466 Ca 0.13 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 466 Cb -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xck h ALA 466 CO -0.03 -0.41 0.21 -0.97 0.00 0.00 0.00 179.25 178.06 1xck h ASN 467 N 0.08 0.31 0.17 0.00 -1.24 -0.73 -1.62 115.58 112.54 1xck h ASN 467 Ca 0.17 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1xck h ASN 467 Cb 0.25 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1xck h ASN 467 CO -0.31 0.22 -0.08 0.74 -1.29 0.00 0.00 177.43 176.71 1xck h THR 468 N 0.43 0.90 -1.00 -3.57 2.02 -0.76 -2.60 112.91 108.34 1xck h THR 468 Ca 0.19 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.19 1xck h THR 468 Cb 0.10 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 1xck h THR 468 CO -0.14 0.07 0.62 0.58 0.37 0.00 0.00 175.52 177.03 1xck h VAL 469 N -0.37 0.91 -0.66 3.16 2.07 -1.04 0.00 116.25 120.32 1xck h VAL 469 Ca -0.02 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1xck h VAL 469 Cb 0.29 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1xck h VAL 469 CO 0.04 0.18 0.27 0.11 0.02 0.00 0.00 177.57 178.18 1xck h LYS 470 N 0.97 0.96 0.00 1.57 1.57 -1.15 -2.17 116.57 118.33 1xck h LYS 470 Ca 0.50 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1xck h LYS 470 Cb 0.51 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xck h LYS 470 CO -0.27 0.78 0.00 0.78 -0.57 0.00 0.00 179.45 180.17 1xck h GLY 471 N 1.03 0.00 0.00 3.86 0.00 -0.60 -3.44 103.07 103.92 1xck h GLY 471 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1xck h GLY 471 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1xck n GLY 472 N -0.79 0.19 3.21 4.60 0.00 -0.82 -5.12 105.19 106.47 1xck n GLY 472 Ca -0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 1xck n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xck s ASP 473 N -1.00 0.16 0.47 1.61 1.01 -1.26 -5.02 116.67 112.64 1xck s ASP 473 Ca 0.00 -1.34 0.00 0.00 0.71 0.00 0.00 52.55 51.92 1xck s ASP 473 Cb 0.00 0.38 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1xck s ASP 473 CO 0.00 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1xck n GLY 474 N -0.25 2.69 1.96 0.21 0.00 -1.26 -0.67 105.19 107.87 1xck n GLY 474 Ca 0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 1.62 4.34 -4.71 1.61 4.13 -1.26 -4.91 115.26 116.08 1xck n ASN 475 Ca 0.00 -3.25 -0.42 0.00 1.68 0.00 0.00 54.58 52.59 1xck n ASN 475 Cb 0.00 -0.81 -0.03 0.00 -1.54 0.00 0.00 39.78 37.40 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 -2.54 3.62 0.00 3.10 5.04 0.16 0.10 117.35 126.83 1xck s TYR 476 Ca 0.44 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 1xck s TYR 476 Cb 0.36 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 39.48 1xck s TYR 476 CO 0.06 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1xck n GLY 477 N 2.91 1.78 3.68 8.97 0.00 0.37 -4.70 105.19 118.20 1xck n GLY 477 Ca 0.06 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -6.08 3.32 -0.75 1.61 5.04 -1.26 -1.38 117.35 117.85 1xck s TYR 478 Ca 0.00 0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 54.64 1xck s TYR 478 Cb 0.00 -2.08 0.15 0.00 0.35 0.00 0.00 41.96 40.38 1xck s TYR 478 CO 0.00 0.25 0.82 1.21 -1.34 0.00 0.00 175.55 176.48 1xck s ASN 479 N 0.21 6.48 0.44 4.32 3.84 0.22 -4.91 114.94 125.53 1xck s ASN 479 Ca 0.06 -2.01 0.19 0.00 0.21 0.00 0.00 52.86 51.31 1xck s ASN 479 Cb -0.12 -2.29 1.13 0.00 -0.55 0.00 0.00 41.25 39.42 1xck s ASN 479 CO -0.00 -0.91 1.88 0.00 -2.79 0.00 0.00 177.10 175.27 1xck h ALA 480 N 8.63 2.27 -0.23 1.71 0.00 -1.94 0.64 119.26 130.34 1xck h ALA 480 Ca -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 480 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xck h ALA 480 CO 0.99 -0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.79 1xck h ALA 481 N 1.62 0.30 -0.01 0.00 0.00 -1.96 -3.29 119.26 115.92 1xck h ALA 481 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xck h ALA 481 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xck h ALA 481 CO -0.14 -0.10 -0.45 0.25 0.00 0.00 0.00 179.25 178.81 1xck n THR 482 N -4.80 0.00 -1.98 0.00 -2.24 -0.78 -4.98 114.28 99.50 1xck n THR 482 Ca -0.03 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 1xck n THR 482 Cb 0.13 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.18 -1.29 -4.84 -0.78 1.02 0.22 -4.99 120.64 109.79 1xck n GLU 483 Ca 0.08 0.94 -0.32 0.00 -0.02 0.00 0.00 57.16 57.84 1xck n GLU 483 Cb 0.40 -5.30 -0.13 0.00 -0.02 0.00 0.00 31.44 26.39 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 -4.27 2.39 0.39 3.49 0.41 -1.18 -4.90 118.70 115.04 1xck s GLU 484 Ca 0.00 -0.77 -0.04 0.00 -0.41 0.00 0.00 54.97 53.76 1xck s GLU 484 Cb 0.00 -2.33 -0.04 0.00 -1.78 0.00 0.00 34.13 29.98 1xck s GLU 484 CO 0.00 0.60 0.66 0.71 -0.49 0.00 0.00 175.26 176.74 1xck s TYR 485 N -0.78 3.52 -5.00 1.61 1.51 -1.26 -0.61 117.35 116.33 1xck s TYR 485 Ca 0.12 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.82 1xck s TYR 485 Cb -0.11 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1xck s TYR 485 CO 0.02 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.83 1xck n GLY 486 N -1.76 -0.66 3.61 0.71 0.00 -0.48 -4.94 105.19 101.67 1xck n GLY 486 Ca -0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 6.74 0.27 1.61 3.84 -1.26 -0.48 114.94 121.66 1xck s ASN 487 Ca 0.00 0.69 -0.01 0.00 0.21 0.00 0.00 52.86 53.75 1xck s ASN 487 Cb 0.00 -2.49 0.47 0.00 -0.55 0.00 0.00 41.25 38.68 1xck s ASN 487 CO 0.00 -0.90 1.84 0.24 -2.79 0.00 0.00 177.10 175.49 1xck h MET 488 N 8.44 0.95 -0.06 0.43 2.86 -0.65 -0.17 114.93 126.73 1xck h MET 488 Ca -0.22 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1xck h MET 488 Cb 1.07 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1xck h MET 488 CO 1.01 0.63 0.00 0.82 1.06 0.00 0.00 176.91 180.43 1xck h ILE 489 N 0.98 1.25 -0.68 -1.22 1.08 -1.76 0.11 117.51 117.27 1xck h ILE 489 Ca 0.45 -0.77 0.09 0.00 -0.39 0.00 0.00 64.86 64.24 1xck h ILE 489 Cb 0.38 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 1xck h ILE 489 CO -0.24 0.21 0.32 0.44 -0.69 0.00 0.00 178.15 178.19 1xck h ASP 490 N -0.17 0.40 0.00 1.72 3.32 -1.83 0.38 116.42 120.24 1xck h ASP 490 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xck h ASP 490 Cb 0.34 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1xck h ASP 490 CO 0.00 0.23 0.00 0.23 -1.72 0.00 0.00 179.24 177.99 1xck n MET 491 N -4.89 0.65 -2.59 3.56 2.81 -0.12 -4.86 117.12 111.69 1xck n MET 491 Ca 0.10 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 1xck n MET 491 Cb 0.27 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.29 -0.09 3.01 3.03 0.00 0.13 -4.99 105.19 106.57 1xck n GLY 492 Ca 0.14 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.85 2.93 0.27 -0.61 1.01 0.33 -5.02 121.20 117.26 1xck s ILE 493 Ca 0.13 -3.02 0.02 0.00 0.00 0.00 0.00 60.65 57.78 1xck s ILE 493 Cb -0.06 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1xck s ILE 493 CO 0.17 -0.79 0.13 -1.48 0.00 0.00 0.00 174.94 172.96 1xck s LEU 494 N 0.00 1.61 0.01 2.97 0.05 -1.26 -0.70 118.68 121.37 1xck s LEU 494 Ca 0.16 -1.46 0.00 0.00 0.05 0.00 0.00 54.13 52.88 1xck s LEU 494 Cb -0.23 0.13 -0.01 0.00 -2.05 0.00 0.00 46.19 44.03 1xck s LEU 494 CO -0.02 -0.81 -0.02 -1.81 -0.55 0.00 0.00 176.35 173.14 1xck s ASP 495 N -3.33 0.16 0.22 1.48 1.01 -0.36 -4.56 116.67 111.29 1xck s ASP 495 Ca 0.37 -0.21 -0.31 0.00 0.71 0.00 0.00 52.55 53.11 1xck s ASP 495 Cb 0.06 0.03 -0.10 0.00 1.01 0.00 0.00 42.92 43.93 1xck s ASP 495 CO 0.15 -0.11 1.50 -2.84 0.21 0.00 0.00 175.17 174.08 1xck s PRO 496 N -0.60 4.24 0.39 8.23 0.02 -1.26 -1.30 135.00 144.71 1xck s PRO 496 Ca -0.06 2.34 0.18 0.00 0.02 0.00 0.00 61.00 63.48 1xck s PRO 496 Cb -0.04 -3.12 1.10 0.00 0.02 0.00 0.00 34.50 32.45 1xck s PRO 496 CO -0.00 -0.51 1.75 1.15 -0.33 0.00 0.00 177.00 179.06 1xck h THR 497 N 3.71 0.49 -0.91 0.99 2.02 -1.09 0.15 112.91 118.27 1xck h THR 497 Ca -0.45 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1xck h THR 497 Cb 1.21 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1xck h THR 497 CO 0.83 0.07 0.60 0.50 0.37 0.00 0.00 175.52 177.89 1xck h LYS 498 N 0.40 1.14 -0.16 6.66 3.64 -1.81 0.03 116.57 126.47 1xck h LYS 498 Ca 0.62 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.74 1xck h LYS 498 Cb 1.55 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1xck h LYS 498 CO -0.34 0.76 -0.68 -0.39 -2.27 0.00 0.00 179.45 176.53 1xck h VAL 499 N 1.18 1.31 -0.36 2.00 -1.51 -1.01 -1.04 116.25 116.82 1xck h VAL 499 Ca 0.35 -1.94 -0.06 0.00 -1.23 0.00 0.00 66.70 63.82 1xck h VAL 499 Cb -0.06 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1xck h VAL 499 CO -0.09 0.61 -0.00 0.74 -1.23 0.00 0.00 177.57 177.59 1xck h THR 500 N 0.47 1.26 -0.14 7.19 2.02 -1.33 -0.37 112.91 122.02 1xck h THR 500 Ca -0.02 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.19 1xck h THR 500 Cb 1.28 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1xck h THR 500 CO 0.13 0.33 0.03 -0.09 0.37 0.00 0.00 175.52 176.29 1xck h ARG 501 N 0.44 0.09 -0.11 6.66 2.43 -0.96 -1.97 114.38 120.96 1xck h ARG 501 Ca 0.10 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1xck h ARG 501 Cb 0.46 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1xck h ARG 501 CO 0.02 0.06 0.07 0.77 -1.51 0.00 0.00 179.97 179.38 1xck h SER 502 N 0.09 0.13 -0.63 -3.80 0.02 -1.06 -0.94 113.55 107.36 1xck h SER 502 Ca 0.06 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1xck h SER 502 Cb 0.05 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 1xck h SER 502 CO -0.07 0.13 0.26 0.00 -1.14 0.00 0.00 176.83 176.01 1xck h ALA 503 N 1.01 0.84 0.05 3.77 0.00 -0.96 0.39 119.26 124.35 1xck h ALA 503 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 503 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 503 CO -0.01 -0.16 -0.02 1.25 0.00 0.00 0.00 179.25 180.31 1xck h LEU 504 N 0.45 -0.06 -0.77 0.00 5.85 -1.10 -1.83 115.31 117.85 1xck h LEU 504 Ca 0.32 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xck h LEU 504 Cb 0.38 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1xck h LEU 504 CO -0.30 0.29 0.42 1.56 -0.34 0.00 0.00 178.44 180.08 1xck h GLN 505 N -0.41 1.07 -0.29 1.25 4.20 -0.86 -0.38 115.11 119.69 1xck h GLN 505 Ca -0.01 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 1xck h GLN 505 Cb 0.37 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1xck h GLN 505 CO 0.01 0.79 -0.13 1.88 -0.67 0.00 0.00 178.83 180.71 1xck h TYR 506 N 1.07 0.68 -0.03 2.96 0.05 -0.98 -1.11 116.97 119.62 1xck h TYR 506 Ca 0.27 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.90 1xck h TYR 506 Cb 0.03 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1xck h TYR 506 CO 0.00 0.83 -0.07 0.00 -1.05 0.00 0.00 178.16 177.87 1xck h ALA 507 N 0.75 -0.05 -0.39 3.88 0.00 -1.10 -1.64 119.26 120.71 1xck h ALA 507 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 507 Cb 0.65 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xck h ALA 507 CO 0.04 -0.56 0.24 0.00 0.00 0.00 0.00 179.25 178.98 1xck h ALA 508 N 0.90 1.70 0.47 0.00 0.00 -1.05 -1.39 119.26 119.90 1xck h ALA 508 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 508 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xck h ALA 508 CO -0.09 0.27 -0.23 1.03 0.00 0.00 0.00 179.25 180.23 1xck h SER 509 N 0.53 -0.53 0.09 0.00 0.87 -0.28 0.27 113.55 114.51 1xck h SER 509 Ca 0.14 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1xck h SER 509 Cb -0.04 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1xck h SER 509 CO -0.03 -0.29 -0.32 1.62 -0.53 0.00 0.00 176.83 177.28 1xck h VAL 510 N -0.75 1.28 -0.52 2.23 3.04 -1.24 -2.47 116.25 117.83 1xck h VAL 510 Ca -0.06 -1.33 -0.06 0.00 -1.01 0.00 0.00 66.70 64.23 1xck h VAL 510 Cb 0.54 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1xck h VAL 510 CO 0.11 0.41 0.07 0.00 -1.01 0.00 0.00 177.57 177.14 1xck h ALA 511 N 1.38 0.69 -0.81 3.17 0.00 -1.15 -1.71 119.26 120.83 1xck h ALA 511 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xck h ALA 511 Cb 0.71 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1xck h ALA 511 CO 0.05 0.44 0.44 0.78 0.00 0.00 0.00 179.25 180.96 1xck h GLY 512 N 0.74 1.20 1.06 0.00 0.00 -0.70 -0.86 103.07 104.52 1xck h GLY 512 Ca 0.16 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1xck h GLY 512 CO 0.01 0.52 -0.03 1.41 0.00 0.00 0.00 176.54 178.45 1xck h LEU 513 N 1.13 0.98 -0.28 3.11 3.38 -1.07 -2.67 115.31 119.90 1xck h LEU 513 Ca 0.29 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xck h LEU 513 Cb 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xck h LEU 513 CO -0.05 1.07 -0.29 0.24 0.09 0.00 0.00 178.44 179.50 1xck h MET 514 N 0.88 0.69 -0.23 1.13 2.86 -1.01 -2.78 114.93 116.48 1xck h MET 514 Ca 0.15 -0.37 0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1xck h MET 514 Cb 0.58 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1xck h MET 514 CO 0.03 0.98 0.17 0.82 1.06 0.00 0.00 176.91 179.97 1xck h ILE 515 N 0.43 0.85 -0.71 -1.22 2.04 -1.10 -1.41 117.51 116.39 1xck h ILE 515 Ca 0.04 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.64 1xck h ILE 515 Cb 0.86 0.88 -0.16 0.00 -0.74 0.00 0.00 36.82 37.67 1xck h ILE 515 CO 0.07 0.00 0.30 0.35 0.00 0.00 0.00 178.15 178.87 1xck n THR 516 N -4.42 2.91 -3.67 -0.27 -2.24 -1.01 -4.81 114.28 100.77 1xck n THR 516 Ca 0.02 -1.87 -0.36 0.00 -2.27 0.00 0.00 64.05 59.58 1xck n THR 516 Cb 0.31 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 1xck n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xck s THR 517 N -3.09 5.37 -0.03 4.28 2.01 -0.53 -4.96 115.64 118.69 1xck s THR 517 Ca 0.53 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.92 1xck s THR 517 Cb 0.44 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1xck s THR 517 CO 0.11 0.45 0.10 -0.62 -0.69 0.00 0.00 174.62 173.96 1xck n GLU 518 N 3.29 0.86 -3.88 4.92 -0.58 -1.26 -4.80 120.64 119.19 1xck n GLU 518 Ca -0.15 -0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.45 1xck n GLU 518 Cb 0.52 -1.04 -0.11 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.89 0.83 -0.08 0.00 -1.94 -0.09 -5.00 119.30 112.13 1xck s MET 520 Ca -0.10 -0.13 0.05 0.00 -1.71 0.00 0.00 55.69 53.80 1xck s MET 520 Cb -0.06 -0.82 -0.00 0.00 2.01 0.00 0.00 34.83 35.96 1xck s MET 520 CO 0.01 -0.05 -0.24 0.08 -0.01 0.00 0.00 175.02 174.80 1xck s VAL 521 N 0.80 2.09 0.27 -6.03 1.01 -1.26 -1.25 120.40 116.02 1xck s VAL 521 Ca -0.11 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1xck s VAL 521 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1xck s VAL 521 CO 0.00 0.56 0.54 0.28 0.00 0.00 0.00 175.10 176.49 1xck s THR 522 N 0.13 0.00 0.60 3.92 -1.32 -0.83 -4.98 115.64 113.15 1xck s THR 522 Ca -0.12 -1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 58.87 1xck s THR 522 Cb -0.16 -2.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.56 1xck s THR 522 CO 0.07 0.00 1.08 -1.81 -2.21 0.00 0.00 174.62 171.75 1xck s ASP 523 N -3.02 5.63 0.19 8.08 1.01 -1.26 0.53 116.67 127.83 1xck s ASP 523 Ca 0.21 1.92 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 1xck s ASP 523 Cb -0.02 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 1xck s ASP 523 CO 0.10 -1.27 1.19 -0.22 0.21 0.00 0.00 175.17 175.17 1xck s LEU 524 N -4.44 4.46 0.00 1.23 2.96 -1.18 -4.52 118.68 117.19 1xck s LEU 524 Ca 0.66 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 1xck s LEU 524 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1xck s LEU 524 CO 0.36 -0.35 0.37 -0.81 -1.32 0.00 0.00 176.35 174.59