#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dki s TYR 4 N 0.00 1.77 -0.74 2.89 1.51 -1.26 -5.01 117.35 116.51 3dki s TYR 4 Ca 0.00 -0.54 0.25 0.00 -1.01 0.00 0.00 57.07 55.76 3dki s TYR 4 Cb 0.00 -1.20 0.46 0.00 -0.11 0.00 0.00 41.96 41.11 3dki s TYR 4 CO 0.00 -0.20 1.40 -0.25 -1.11 0.00 0.00 175.55 175.39 3dki n ASP 5 N 3.25 0.63 -3.74 2.29 9.92 -1.26 -4.88 116.55 122.76 3dki n ASP 5 Ca -0.19 0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.04 3dki n ASP 5 Cb 0.53 0.08 -0.10 0.00 -0.64 0.00 0.00 41.12 40.99 3dki n ASP 5 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3dki s SER 6 N -3.93 -0.36 0.37 -2.24 0.15 -1.26 -5.04 113.70 101.38 3dki s SER 6 Ca 0.08 0.59 0.13 0.00 0.70 0.00 0.00 55.95 57.45 3dki s SER 6 Cb 0.14 0.66 0.94 0.00 -1.71 0.00 0.00 66.02 66.05 3dki s SER 6 CO 0.70 -0.24 1.81 0.25 1.20 0.00 0.00 173.24 176.95 3dki h LEU 7 N 4.96 0.58 -1.97 3.45 5.85 -1.97 -0.92 115.31 125.29 3dki h LEU 7 Ca -0.28 0.07 0.28 0.00 0.84 0.00 0.00 57.88 58.79 3dki h LEU 7 Cb 1.18 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3dki h LEU 7 CO 0.30 0.20 0.72 -0.07 -0.34 0.00 0.00 178.44 179.26 3dki h LEU 8 N 0.56 0.00 0.00 2.25 3.38 -1.98 -0.48 115.31 119.04 3dki h LEU 8 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3dki h LEU 8 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dki h LEU 8 CO -0.28 0.00 -0.24 1.56 0.09 0.00 0.00 178.44 179.56 3dki h GLN 9 N 0.00 0.00 -1.92 1.13 4.20 -1.58 -3.35 115.11 113.59 3dki h GLN 9 Ca 0.45 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.68 3dki h GLN 9 Cb 1.88 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 29.49 3dki h GLN 9 CO -0.00 0.00 0.41 0.00 -0.67 0.00 0.00 178.83 178.57 3dki n ALA 10 N -1.90 6.28 -2.49 3.87 0.00 -0.19 -4.90 120.51 121.19 3dki n ALA 10 Ca 0.04 -2.90 -0.25 0.00 0.00 0.00 0.00 53.44 50.33 3dki n ALA 10 Cb 0.47 -2.04 -0.15 0.00 0.00 0.00 0.00 19.45 17.73 3dki n ALA 10 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dki s LEU 11 N -2.19 2.06 0.00 0.00 1.98 -1.26 -4.03 118.68 115.24 3dki s LEU 11 Ca 0.55 -0.37 0.00 0.00 -2.89 0.00 0.00 54.13 51.43 3dki s LEU 11 Cb 0.37 -0.93 0.00 0.00 0.66 0.00 0.00 46.19 46.29 3dki s LEU 11 CO -0.19 0.21 0.00 0.61 -1.89 0.00 0.00 176.35 175.08 3dki n GLY 12 N 2.47 -1.35 3.97 7.98 0.00 -1.26 -4.92 105.19 112.08 3dki n GLY 12 Ca -0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 3dki n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dki n ASN 13 N -0.54 -2.67 -4.83 1.61 3.02 -1.26 -4.96 115.26 105.63 3dki n ASN 13 Ca 0.00 -0.90 -0.32 0.00 -0.03 0.00 0.00 54.58 53.33 3dki n ASN 13 Cb 0.00 -3.42 -0.02 0.00 -0.61 0.00 0.00 39.78 35.74 3dki n ASN 13 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dki s THR 14 N -3.53 4.33 0.49 3.41 -4.23 -1.26 -5.01 115.64 109.84 3dki s THR 14 Ca 0.40 1.09 -0.23 0.00 -1.18 0.00 0.00 61.69 61.77 3dki s THR 14 Cb -0.21 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 3dki s THR 14 CO 0.87 -0.67 1.26 -2.84 -0.54 0.00 0.00 174.62 172.70 3dki s PRO 15 N -4.16 3.50 -0.22 3.99 0.02 -1.26 -4.81 135.00 132.06 3dki s PRO 15 Ca 0.60 2.01 -0.05 0.00 0.02 0.00 0.00 61.00 63.58 3dki s PRO 15 Cb -0.12 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 3dki s PRO 15 CO 0.35 -0.83 -0.01 -1.17 -0.33 0.00 0.00 177.00 175.00 3dki s LEU 16 N -3.20 3.07 -0.09 -5.54 2.96 -1.26 -1.34 118.68 113.27 3dki s LEU 16 Ca 0.67 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3dki s LEU 16 Cb -0.35 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3dki s LEU 16 CO 0.42 -0.00 -0.14 0.68 -1.32 0.00 0.00 176.35 175.99 3dki s VAL 17 N 1.39 1.33 0.28 1.68 -7.23 -0.04 -4.91 120.40 112.90 3dki s VAL 17 Ca 0.05 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 3dki s VAL 17 Cb -0.14 -1.22 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 3dki s VAL 17 CO -0.01 0.40 1.15 -0.83 -0.31 0.00 0.00 175.10 175.50 3dki s GLY 18 N 0.91 3.01 -1.03 2.32 0.00 -1.26 0.02 107.32 111.29 3dki s GLY 18 Ca -0.09 0.97 -0.06 0.00 0.00 0.00 0.00 44.72 45.53 3dki s GLY 18 CO 0.00 1.61 0.98 1.08 0.00 0.00 0.00 173.10 176.78 3dki s LEU 19 N -1.37 6.04 0.43 0.66 1.43 0.20 -4.90 118.68 121.17 3dki s LEU 19 Ca 0.46 -3.65 0.18 0.00 -1.03 0.00 0.00 54.13 50.09 3dki s LEU 19 Cb -0.33 -2.09 0.99 0.00 0.03 0.00 0.00 46.19 44.78 3dki s LEU 19 CO 0.43 -0.25 1.92 1.56 0.23 0.00 0.00 176.35 180.24 3dki h GLN 20 N 6.41 0.00 0.07 1.70 4.20 -1.94 0.16 115.11 125.72 3dki h GLN 20 Ca 0.17 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.63 3dki h GLN 20 Cb 0.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3dki h GLN 20 CO 0.95 0.26 -1.32 0.00 -0.67 0.00 0.00 178.83 178.05 3dki h ARG 21 N 0.00 0.15 0.00 1.46 3.08 -1.91 -3.38 114.38 113.78 3dki h ARG 21 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3dki h ARG 21 Cb 0.52 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3dki h ARG 21 CO 0.03 1.12 0.00 -0.07 -1.07 0.00 0.00 179.97 179.98 3dki h LEU 22 N -0.54 0.00 -9.80 3.04 3.38 -1.87 -3.45 115.31 106.07 3dki h LEU 22 Ca -0.31 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 3dki h LEU 22 Cb 1.58 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.40 3dki h LEU 22 CO -0.03 0.00 0.74 -0.44 0.09 0.00 0.00 178.44 178.80 3dki s SER 23 N -5.29 6.64 0.29 -0.43 0.01 0.04 -4.90 113.70 110.05 3dki s SER 23 Ca 0.07 2.72 0.04 0.00 1.31 0.00 0.00 55.95 60.09 3dki s SER 23 Cb 0.09 -2.63 0.72 0.00 0.21 0.00 0.00 66.02 64.41 3dki s SER 23 CO 0.58 -0.69 1.73 -0.65 0.41 0.00 0.00 173.24 174.62 3dki h PRO 24 N 4.46 0.53 -1.51 12.44 0.11 -1.87 -3.38 132.00 142.79 3dki h PRO 24 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 3dki h PRO 24 Cb 1.22 -0.12 -0.26 0.00 0.11 0.00 0.00 31.00 31.95 3dki h PRO 24 CO 0.74 0.35 -0.47 0.50 -0.21 0.00 0.00 178.00 178.91 3dki s ARG 25 N -5.87 0.45 0.12 1.05 3.52 -0.71 -4.94 118.95 112.56 3dki s ARG 25 Ca -0.11 0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 55.68 3dki s ARG 25 Cb 0.25 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3dki s ARG 25 CO 0.79 -0.96 1.52 2.35 -0.81 0.00 0.00 175.30 178.18 3dki h TRP 26 N 8.11 0.83 -3.04 5.12 2.91 -1.75 0.22 115.95 128.34 3dki h TRP 26 Ca -0.09 -0.18 -0.62 0.00 1.13 0.00 0.00 58.89 59.12 3dki h TRP 26 Cb 1.14 -0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 29.50 3dki h TRP 26 CO 0.24 0.88 -0.45 -0.51 -1.03 0.00 0.00 178.44 177.57 3dki s ASP 27 N -6.36 6.33 0.37 2.65 1.01 -1.26 -4.75 116.67 114.66 3dki s ASP 27 Ca -0.13 0.38 -0.28 0.00 0.71 0.00 0.00 52.55 53.24 3dki s ASP 27 Cb 0.10 -2.10 -0.10 0.00 1.01 0.00 0.00 42.92 41.83 3dki s ASP 27 CO 0.81 0.26 1.37 -1.81 0.21 0.00 0.00 175.17 176.01 3dki s ASP 28 N -0.18 6.48 0.44 0.27 1.01 -1.26 -4.51 116.67 118.92 3dki s ASP 28 Ca 0.12 2.81 0.05 0.00 0.71 0.00 0.00 52.55 56.25 3dki s ASP 28 Cb -0.12 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.10 3dki s ASP 28 CO 0.02 -0.75 0.04 -0.83 0.21 0.00 0.00 175.17 173.86 3dki s GLY 29 N -0.43 2.62 0.49 0.21 0.00 -0.19 -4.95 107.32 105.06 3dki s GLY 29 Ca 0.53 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.74 3dki s GLY 29 CO 0.56 -2.10 1.98 3.21 0.00 0.00 0.00 173.10 176.74 3dki h ARG 30 N 1.59 0.00 0.00 2.90 2.47 -2.02 -3.14 114.38 116.19 3dki h ARG 30 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3dki h ARG 30 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3dki h ARG 30 CO 0.77 0.17 -1.16 -0.40 0.56 0.00 0.00 179.97 179.91 3dki n ASP 31 N -3.56 0.60 -3.59 7.04 5.75 -1.26 -5.01 116.55 116.51 3dki n ASP 31 Ca -0.01 -0.35 -0.08 0.00 -0.01 0.00 0.00 54.79 54.34 3dki n ASP 31 Cb 0.31 1.01 -0.04 0.00 -1.03 0.00 0.00 41.12 41.37 3dki n ASP 31 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3dki s GLY 32 N -3.64 -0.21 0.87 6.12 0.00 -1.19 -5.10 107.32 104.17 3dki s GLY 32 Ca 0.03 2.10 -0.12 0.00 0.00 0.00 0.00 44.72 46.73 3dki s GLY 32 CO 0.83 0.96 1.12 2.56 0.00 0.00 0.00 173.10 178.58 3dki s PRO 33 N -1.32 1.51 0.61 2.90 0.04 -1.26 -1.02 135.00 136.46 3dki s PRO 33 Ca 0.02 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 3dki s PRO 33 Cb -0.01 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3dki s PRO 33 CO -0.02 -1.96 1.06 -3.38 0.04 0.00 0.00 177.00 172.74 3dki s HIS 34 N -3.25 2.99 -0.29 0.56 -3.43 -1.26 -4.80 115.29 105.80 3dki s HIS 34 Ca 0.63 1.50 -0.01 0.00 -0.80 0.00 0.00 55.06 56.38 3dki s HIS 34 Cb -0.14 -3.00 0.09 0.00 -1.43 0.00 0.00 32.58 28.10 3dki s HIS 34 CO 0.53 -1.14 0.09 0.08 -2.00 0.00 0.00 174.74 172.30 3dki s VAL 35 N -2.51 0.79 -0.02 -5.38 1.01 0.76 -1.96 120.40 113.08 3dki s VAL 35 Ca 0.63 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3dki s VAL 35 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3dki s VAL 35 CO 0.39 -0.62 -0.12 -0.13 0.00 0.00 0.00 175.10 174.63 3dki s ARG 36 N 1.67 2.48 -0.11 2.72 0.52 -0.12 -1.74 118.95 124.37 3dki s ARG 36 Ca 0.08 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3dki s ARG 36 Cb -0.17 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 3dki s ARG 36 CO -0.24 0.61 -0.06 -0.51 0.02 0.00 0.00 175.30 175.12 3dki s LEU 37 N -1.06 3.15 -0.09 2.53 1.02 -1.26 -0.21 118.68 122.75 3dki s LEU 37 Ca 0.14 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3dki s LEU 37 Cb -0.11 -1.72 0.02 0.00 0.02 0.00 0.00 46.19 44.40 3dki s LEU 37 CO 0.03 0.26 -0.09 0.26 0.02 0.00 0.00 176.35 176.84 3dki s TRP 38 N -0.19 1.42 -0.28 0.29 0.52 0.56 -0.63 118.94 120.64 3dki s TRP 38 Ca 0.03 -0.63 -0.11 0.00 0.02 0.00 0.00 56.10 55.40 3dki s TRP 38 Cb -0.13 -1.14 -0.05 0.00 -1.15 0.00 0.00 33.47 31.00 3dki s TRP 38 CO 0.03 -0.42 0.18 0.00 0.02 0.00 0.00 176.95 176.76 3dki s ALA 39 N 1.33 3.51 -0.45 0.98 0.00 0.10 -0.89 121.76 126.34 3dki s ALA 39 Ca -0.02 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 3dki s ALA 39 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.56 3dki s ALA 39 CO -0.04 -0.53 0.82 0.21 0.00 0.00 0.00 175.76 176.21 3dki s LYS 40 N 1.73 3.43 -1.13 0.00 2.47 -0.08 -0.86 119.74 125.31 3dki s LYS 40 Ca 0.07 -0.05 -0.14 0.00 -1.56 0.00 0.00 55.97 54.29 3dki s LYS 40 Cb -0.16 -3.94 0.17 0.00 -1.46 0.00 0.00 37.83 32.45 3dki s LYS 40 CO 0.10 -1.14 1.32 -0.51 0.16 0.00 0.00 175.35 175.27 3dki s LEU 41 N 3.40 5.22 0.00 5.43 1.43 -0.45 -1.44 118.68 132.27 3dki s LEU 41 Ca 0.31 -2.83 0.25 0.00 -1.03 0.00 0.00 54.13 50.83 3dki s LEU 41 Cb -0.12 -2.38 1.36 0.00 0.03 0.00 0.00 46.19 45.09 3dki s LEU 41 CO 0.24 -0.77 1.83 -0.62 0.23 0.00 0.00 176.35 177.25 3dki n GLU 42 N 5.54 0.57 0.00 1.70 -0.58 -0.25 -2.42 120.64 125.20 3dki n GLU 42 Ca 0.32 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 57.21 3dki n GLU 42 Cb 0.44 -1.50 0.65 0.00 -0.57 0.00 0.00 31.44 30.46 3dki n GLU 42 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dki n ASP 43 N -1.14 0.00 -0.80 1.62 5.75 -1.24 -3.23 116.55 117.52 3dki n ASP 43 Ca 0.15 -0.15 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 3dki n ASP 43 Cb 0.14 -0.26 0.11 0.00 -1.03 0.00 0.00 41.12 40.07 3dki n ASP 43 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dki n ARG 44 N -1.26 1.96 -2.69 0.11 5.12 -1.02 -4.21 116.66 114.68 3dki n ARG 44 Ca 0.13 -0.82 -0.23 0.00 -1.93 0.00 0.00 57.85 54.99 3dki n ARG 44 Cb 0.19 -1.62 0.03 0.00 -1.16 0.00 0.00 32.46 29.90 3dki n ARG 44 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3dki s ASN 45 N -0.33 5.48 0.25 0.55 0.01 -1.20 -4.84 114.94 114.86 3dki s ASN 45 Ca 0.14 0.25 -0.14 0.00 -0.71 0.00 0.00 52.86 52.40 3dki s ASN 45 Cb 0.10 -1.26 0.32 0.00 0.41 0.00 0.00 41.25 40.83 3dki s ASN 45 CO 0.05 -1.01 1.55 -0.65 -1.51 0.00 0.00 177.10 175.53 3dki h PRO 46 N 0.09 -0.00 -0.61 -0.60 0.11 -1.88 -1.91 132.00 127.20 3dki h PRO 46 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dki h PRO 46 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dki h PRO 46 CO 0.56 -0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 3dki n THR 47 N -5.53 1.21 -0.71 -1.15 -2.24 -1.26 -4.97 114.28 99.63 3dki n THR 47 Ca 0.12 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3dki n THR 47 Cb 0.44 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3dki n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dki n GLY 48 N 1.21 0.62 3.53 3.38 0.00 -0.72 -4.99 105.19 108.22 3dki n GLY 48 Ca 0.22 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 3dki n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dki s SER 49 N -2.66 -0.15 -0.10 1.61 1.04 -1.23 -3.81 113.70 108.40 3dki s SER 49 Ca 0.00 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 3dki s SER 49 Cb 0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3dki s SER 49 CO 0.00 -1.07 1.08 0.00 0.98 0.00 0.00 173.24 174.23 3dki n ILE 50 N -0.34 0.50 0.00 -1.02 3.06 -0.16 -4.66 119.36 116.75 3dki n ILE 50 Ca -0.07 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 3dki n ILE 50 Cb 0.62 -1.61 0.00 0.00 0.54 0.00 0.00 39.64 39.19 3dki n ILE 50 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3dki n ASP 52 N 3.72 0.00 0.29 9.51 8.00 -1.26 -4.27 116.55 132.54 3dki n ASP 52 Ca 0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 3dki n ASP 52 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3dki n ASP 52 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dki h ARG 53 N 0.00 -0.74 -0.27 -1.24 3.08 -1.97 -2.38 114.38 110.85 3dki h ARG 53 Ca 0.00 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3dki h ARG 53 Cb 0.00 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3dki h ARG 53 CO 0.00 -0.50 -0.04 -1.00 -1.07 0.00 0.00 179.97 177.36 3dki h PRO 54 N -1.07 0.42 -0.10 0.04 0.13 -1.84 -2.03 132.00 127.55 3dki h PRO 54 Ca -0.08 -0.09 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3dki h PRO 54 Cb 0.59 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.62 3dki h PRO 54 CO 0.13 0.49 -0.12 0.00 -0.23 0.00 0.00 178.00 178.26 3dki h ALA 55 N 1.56 -0.06 -0.38 -0.56 0.00 -1.91 0.19 119.26 118.11 3dki h ALA 55 Ca 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3dki h ALA 55 Cb 0.34 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dki h ALA 55 CO 0.01 -0.58 -0.33 0.28 0.00 0.00 0.00 179.25 178.63 3dki h VAL 56 N -0.16 1.28 -0.40 0.00 2.07 -1.29 -2.85 116.25 114.90 3dki h VAL 56 Ca 0.08 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 3dki h VAL 56 Cb 0.27 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3dki h VAL 56 CO -0.19 0.50 -0.29 -0.09 0.02 0.00 0.00 177.57 177.52 3dki h ARG 57 N 0.70 0.86 -0.92 1.57 2.43 -1.05 -1.84 114.38 116.13 3dki h ARG 57 Ca 0.07 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3dki h ARG 57 Cb 0.92 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3dki h ARG 57 CO 0.08 1.03 0.53 0.52 -1.51 0.00 0.00 179.97 180.62 3dki h MET 58 N 0.73 1.26 -0.35 0.20 2.86 -0.57 0.14 114.93 119.20 3dki h MET 58 Ca 0.08 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3dki h MET 58 Cb 0.84 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3dki h MET 58 CO 0.07 0.90 -0.07 0.82 1.06 0.00 0.00 176.91 179.70 3dki h ILE 59 N 1.27 1.28 -0.22 -1.22 2.04 -1.28 -1.59 117.51 117.79 3dki h ILE 59 Ca 0.33 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 3dki h ILE 59 Cb -0.01 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3dki h ILE 59 CO -0.06 0.37 -0.44 -0.33 0.00 0.00 0.00 178.15 177.69 3dki h GLU 60 N 0.46 0.55 -0.35 2.37 5.08 -1.05 -0.69 114.58 120.95 3dki h GLU 60 Ca 0.09 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 3dki h GLU 60 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dki h GLU 60 CO 0.03 0.89 -0.23 0.37 -1.00 0.00 0.00 179.01 179.07 3dki h GLN 61 N 0.45 0.68 -0.59 2.33 5.75 -0.66 0.12 115.11 123.19 3dki h GLN 61 Ca 0.03 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 3dki h GLN 61 Cb 0.95 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 3dki h GLN 61 CO 0.08 0.85 0.11 0.00 -2.65 0.00 0.00 178.83 177.22 3dki h ALA 62 N 1.15 1.08 -0.03 3.38 0.00 -1.00 -0.26 119.26 123.58 3dki h ALA 62 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dki h ALA 62 Cb 0.71 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dki h ALA 62 CO 0.05 0.60 -0.01 0.93 0.00 0.00 0.00 179.25 180.83 3dki h GLU 63 N 0.89 0.05 -0.83 0.00 5.08 -0.76 0.79 114.58 119.80 3dki h GLU 63 Ca 0.19 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 3dki h GLU 63 Cb 0.37 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3dki h GLU 63 CO 0.01 0.41 0.39 0.00 -1.00 0.00 0.00 179.01 178.81 3dki h ALA 64 N 0.64 1.26 0.00 3.43 0.00 -0.48 -0.56 119.26 123.55 3dki h ALA 64 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dki h ALA 64 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dki h ALA 64 CO 0.00 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3dki n ASP 65 N -4.95 0.00 -0.46 0.00 8.00 -0.13 -4.88 116.55 114.13 3dki n ASP 65 Ca 0.18 -0.40 -0.05 0.00 0.71 0.00 0.00 54.79 55.22 3dki n ASP 65 Cb 0.48 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 3dki n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dki n GLY 66 N 0.69 0.59 0.08 0.44 0.00 -0.22 -4.93 105.19 101.84 3dki n GLY 66 Ca 0.15 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 3dki n GLY 66 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dki h LEU 67 N 0.00 0.00 -8.63 0.99 4.07 -1.04 -3.47 115.31 107.23 3dki h LEU 67 Ca -0.11 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.15 3dki h LEU 67 Cb 0.57 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 42.01 3dki h LEU 67 CO 0.15 0.91 -0.88 -0.76 -1.08 0.00 0.00 178.44 176.78 3dki s LEU 68 N -6.06 2.10 0.32 1.67 1.43 -1.11 -4.92 118.68 112.13 3dki s LEU 68 Ca -0.04 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3dki s LEU 68 Cb 0.08 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 3dki s LEU 68 CO 0.82 0.32 0.46 -0.13 0.23 0.00 0.00 176.35 178.05 3dki s ARG 69 N -0.61 1.82 0.04 1.70 0.52 -1.26 -4.58 118.95 116.58 3dki s ARG 69 Ca 0.10 -1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 53.55 3dki s ARG 69 Cb -0.10 0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 3dki s ARG 69 CO -0.01 -0.75 0.99 -2.30 0.02 0.00 0.00 175.30 173.26 3dki n PRO 70 N -0.52 -0.12 -1.33 3.54 -0.02 -1.26 -1.12 135.00 134.17 3dki n PRO 70 Ca 0.01 0.99 -0.31 0.00 -2.02 0.00 0.00 63.50 62.16 3dki n PRO 70 Cb 0.62 -1.47 0.11 0.00 -0.02 0.00 0.00 33.50 32.74 3dki n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dki n GLY 71 N -1.07 5.54 3.74 -1.23 0.00 -1.26 -4.30 105.19 106.62 3dki n GLY 71 Ca 0.01 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3dki n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dki s ALA 72 N -3.67 1.84 -0.10 4.61 0.00 -0.28 -4.83 121.76 119.33 3dki s ALA 72 Ca 0.62 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3dki s ALA 72 Cb 0.49 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 3dki s ALA 72 CO 0.02 -2.11 -0.18 0.99 0.00 0.00 0.00 175.76 174.48 3dki s THR 73 N -2.95 2.60 -0.18 0.00 2.01 -0.78 -2.07 115.64 114.26 3dki s THR 73 Ca 0.62 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 3dki s THR 73 Cb -0.17 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 3dki s THR 73 CO 0.56 0.55 0.14 -0.63 -0.69 0.00 0.00 174.62 174.56 3dki s ILE 74 N 0.12 5.42 -0.15 1.82 1.01 0.63 -0.51 121.20 129.53 3dki s ILE 74 Ca -0.09 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 3dki s ILE 74 Cb -0.15 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3dki s ILE 74 CO 0.06 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.64 3dki s LEU 75 N 0.10 3.07 -0.04 2.97 2.01 0.88 -0.73 118.68 126.94 3dki s LEU 75 Ca 0.10 -0.20 0.01 0.00 0.01 0.00 0.00 54.13 54.05 3dki s LEU 75 Cb -0.11 -1.73 0.02 0.00 0.01 0.00 0.00 46.19 44.38 3dki s LEU 75 CO -0.00 0.16 -0.03 -0.70 1.01 0.00 0.00 176.35 176.78 3dki s GLU 76 N 0.41 0.68 -1.11 1.70 2.56 -0.60 -3.56 118.70 118.79 3dki s GLU 76 Ca -0.06 -0.07 -0.21 0.00 0.00 0.00 0.00 54.97 54.63 3dki s GLU 76 Cb -0.15 -0.73 0.06 0.00 2.00 0.00 0.00 34.13 35.32 3dki s GLU 76 CO 0.04 -0.08 1.53 -1.25 -0.56 0.00 0.00 175.26 174.94 3dki s PRO 77 N 0.86 3.72 -0.07 4.30 0.04 -1.26 -1.03 135.00 141.57 3dki s PRO 77 Ca -0.11 -1.43 -0.22 0.00 0.04 0.00 0.00 61.00 59.28 3dki s PRO 77 Cb -0.14 -5.40 0.05 0.00 0.04 0.00 0.00 34.50 29.05 3dki s PRO 77 CO -0.00 -2.21 0.50 -0.08 0.04 0.00 0.00 177.00 175.25 3dki s THR 78 N 4.64 0.02 0.00 1.26 -1.32 -1.08 -4.90 115.64 114.26 3dki s THR 78 Ca 0.48 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 3dki s THR 78 Cb 0.01 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 3dki s THR 78 CO -0.04 -0.11 0.49 -1.54 -2.21 0.00 0.00 174.62 171.21 3dki n SER 79 N 1.47 0.94 0.00 8.08 3.41 -1.26 -4.32 113.62 121.94 3dki n SER 79 Ca -0.19 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3dki n SER 79 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3dki n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dki n GLY 80 N -0.08 2.18 0.31 5.00 0.00 -1.26 -4.83 105.19 106.52 3dki n GLY 80 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 3dki n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dki h ASN 81 N 0.00 0.74 -0.74 1.61 2.35 -1.99 -1.58 115.58 115.96 3dki h ASN 81 Ca 0.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3dki h ASN 81 Cb 0.00 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 3dki h ASN 81 CO 0.00 0.67 0.37 0.74 -1.65 0.00 0.00 177.43 177.57 3dki h THR 82 N 0.80 1.24 -0.57 2.81 2.02 -1.98 0.54 112.91 117.77 3dki h THR 82 Ca 0.19 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3dki h THR 82 Cb 0.17 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3dki h THR 82 CO -0.02 0.28 0.22 1.23 0.37 0.00 0.00 175.52 177.60 3dki h GLY 83 N 1.12 0.93 1.00 2.16 0.00 -1.63 0.40 103.07 107.05 3dki h GLY 83 Ca 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3dki h GLY 83 CO -0.04 0.49 0.14 -2.22 0.00 0.00 0.00 176.54 174.91 3dki h ILE 84 N 0.79 1.05 -0.40 2.60 2.04 -1.11 -0.39 117.51 122.09 3dki h ILE 84 Ca 0.19 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 3dki h ILE 84 Cb 0.22 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3dki h ILE 84 CO -0.01 0.05 -0.06 0.28 0.00 0.00 0.00 178.15 178.41 3dki h SER 85 N 0.29 0.74 0.44 1.72 0.02 -0.65 -2.22 113.55 113.89 3dki h SER 85 Ca 0.08 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3dki h SER 85 Cb -0.03 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3dki h SER 85 CO -0.02 0.91 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.13 3dki h LEU 86 N 0.56 0.00 -0.23 5.07 3.38 -0.12 -1.52 115.31 122.44 3dki h LEU 86 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3dki h LEU 86 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3dki h LEU 86 CO 0.03 0.39 -0.04 0.00 0.09 0.00 0.00 178.44 178.90 3dki h ALA 87 N 1.61 0.32 0.40 1.53 0.00 -0.84 0.49 119.26 122.78 3dki h ALA 87 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3dki h ALA 87 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dki h ALA 87 CO 0.05 0.10 -0.19 1.98 0.00 0.00 0.00 179.25 181.18 3dki h MET 88 N 0.19 -0.52 -0.00 0.00 1.85 -1.21 -2.57 114.93 112.66 3dki h MET 88 Ca 0.06 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 3dki h MET 88 Cb 0.49 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 3dki h MET 88 CO 0.02 -0.26 -0.00 0.00 -0.40 0.00 0.00 176.91 176.27 3dki h ALA 89 N -0.19 0.00 -0.49 0.39 0.00 -1.30 -1.85 119.26 115.82 3dki h ALA 89 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3dki h ALA 89 Cb 0.50 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3dki h ALA 89 CO 0.09 -0.50 0.04 0.00 0.00 0.00 0.00 179.25 178.88 3dki h ALA 90 N 1.00 0.50 -0.17 0.00 0.00 -0.98 0.54 119.26 120.14 3dki h ALA 90 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dki h ALA 90 Cb 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dki h ALA 90 CO -0.01 -0.36 0.03 -0.09 0.00 0.00 0.00 179.25 178.82 3dki h ARG 91 N 0.15 0.29 -0.40 0.00 2.43 -1.35 0.54 114.38 116.04 3dki h ARG 91 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3dki h ARG 91 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3dki h ARG 91 CO -0.38 0.45 0.17 -0.07 -1.51 0.00 0.00 179.97 178.62 3dki h LEU 92 N 0.08 0.50 -0.43 3.80 3.38 -0.99 -2.44 115.31 119.21 3dki h LEU 92 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dki h LEU 92 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dki h LEU 92 CO 0.00 0.45 -0.08 0.29 0.09 0.00 0.00 178.44 179.20 3dki n LYS 93 N -4.39 1.04 -0.61 1.13 5.02 0.15 -4.94 118.16 115.56 3dki n LYS 93 Ca 0.03 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3dki n LYS 93 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3dki n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dki n GLY 94 N 1.21 0.73 3.80 0.72 0.00 -0.15 -5.01 105.19 106.48 3dki n GLY 94 Ca 0.17 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 3dki n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dki s TYR 95 N -2.00 3.11 0.15 1.61 2.02 0.17 -4.41 117.35 118.00 3dki s TYR 95 Ca 0.00 -0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.50 3dki s TYR 95 Cb 0.00 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 40.03 3dki s TYR 95 CO 0.00 0.52 0.54 0.50 -1.57 0.00 0.00 175.55 175.55 3dki s ARG 96 N -3.35 3.96 -0.12 -0.62 3.52 -0.88 -3.75 118.95 117.71 3dki s ARG 96 Ca 0.31 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.40 3dki s ARG 96 Cb -0.09 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3dki s ARG 96 CO 0.24 0.47 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.86 3dki s LEU 97 N -2.00 1.83 -0.20 -0.88 2.96 -1.26 -0.27 118.68 118.87 3dki s LEU 97 Ca 0.38 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3dki s LEU 97 Cb -0.15 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.34 3dki s LEU 97 CO 0.19 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.50 3dki s ILE 98 N 1.02 2.80 -0.16 6.68 1.01 0.09 -1.48 121.20 131.14 3dki s ILE 98 Ca -0.05 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 3dki s ILE 98 Cb -0.15 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3dki s ILE 98 CO -0.03 0.48 0.38 0.00 0.00 0.00 0.00 174.94 175.77 3dki s VAL 100 N 0.80 4.78 0.08 0.00 1.01 -0.19 -0.71 120.40 126.16 3dki s VAL 100 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3dki s VAL 100 Cb -0.14 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3dki s VAL 100 CO 0.07 0.37 0.17 0.00 0.00 0.00 0.00 175.10 175.72 3dki s MET 101 N 1.09 0.82 0.41 2.72 0.23 -0.02 -2.64 119.30 121.91 3dki s MET 101 Ca 0.05 -0.97 -0.26 0.00 -1.03 0.00 0.00 55.69 53.48 3dki s MET 101 Cb -0.14 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.40 3dki s MET 101 CO 0.04 -0.25 1.38 -2.14 -2.03 0.00 0.00 175.02 172.01 3dki s PRO 102 N -3.83 3.91 0.38 3.16 0.02 -1.26 -0.47 135.00 136.91 3dki s PRO 102 Ca 0.05 2.32 0.18 0.00 0.02 0.00 0.00 61.00 63.56 3dki s PRO 102 Cb 0.05 -2.77 1.09 0.00 0.02 0.00 0.00 34.50 32.89 3dki s PRO 102 CO -0.11 -0.60 1.75 0.93 -0.33 0.00 0.00 177.00 178.64 3dki h GLU 103 N 2.64 0.39 0.00 5.54 5.08 -0.98 0.04 114.58 127.30 3dki h GLU 103 Ca -0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3dki h GLU 103 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dki h GLU 103 CO 0.62 0.26 0.11 -1.71 -1.00 0.00 0.00 179.01 177.29 3dki n ASN 104 N -4.70 0.00 -4.76 1.42 5.15 -1.26 -4.86 115.26 106.25 3dki n ASN 104 Ca 0.27 0.27 -0.40 0.00 -0.60 0.00 0.00 54.58 54.12 3dki n ASN 104 Cb 0.90 -0.27 -0.04 0.00 -0.53 0.00 0.00 39.78 39.85 3dki n ASN 104 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3dki s THR 105 N -2.47 3.24 0.41 -0.44 2.01 0.00 -4.96 115.64 113.44 3dki s THR 105 Ca 0.00 1.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.98 3dki s THR 105 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 3dki s THR 105 CO 0.00 0.29 1.47 -0.44 -0.69 0.00 0.00 174.62 175.24 3dki s SER 106 N -0.78 6.11 0.31 3.53 0.01 -1.26 -4.87 113.70 116.75 3dki s SER 106 Ca 0.46 3.00 0.03 0.00 1.31 0.00 0.00 55.95 60.76 3dki s SER 106 Cb -0.34 -2.66 0.53 0.00 0.21 0.00 0.00 66.02 63.75 3dki s SER 106 CO 0.44 -1.03 1.82 0.58 0.41 0.00 0.00 173.24 175.47 3dki h VAL 107 N 2.66 1.22 -0.57 3.43 2.07 -1.97 -1.05 116.25 122.03 3dki h VAL 107 Ca -0.51 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.16 3dki h VAL 107 Cb 1.25 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 3dki h VAL 107 CO 0.63 0.31 0.19 -0.33 0.02 0.00 0.00 177.57 178.39 3dki h GLU 108 N 0.50 0.34 -0.14 1.57 3.07 -1.99 0.85 114.58 118.77 3dki h GLU 108 Ca 0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3dki h GLU 108 Cb 0.44 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3dki h GLU 108 CO 0.02 0.23 0.05 -0.09 -1.40 0.00 0.00 179.01 177.82 3dki h ARG 109 N 0.35 0.21 -0.72 2.33 9.65 -1.67 -3.13 114.38 121.40 3dki h ARG 109 Ca 0.29 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.07 3dki h ARG 109 Cb 0.36 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 3dki h ARG 109 CO -0.31 0.30 0.23 0.00 2.80 0.00 0.00 179.97 183.00 3dki h ARG 110 N 0.06 1.10 -0.88 0.20 3.08 -0.92 -3.01 114.38 114.03 3dki h ARG 110 Ca 0.05 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3dki h ARG 110 Cb 0.18 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3dki h ARG 110 CO -0.00 0.93 0.49 1.96 -1.07 0.00 0.00 179.97 182.28 3dki h GLN 111 N 1.06 1.22 -0.16 0.04 4.20 -0.81 -1.15 115.11 119.52 3dki h GLN 111 Ca 0.23 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3dki h GLN 111 Cb 0.28 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3dki h GLN 111 CO -0.01 0.89 0.09 -0.07 -0.67 0.00 0.00 178.83 179.06 3dki h LEU 112 N 1.23 0.14 -0.69 1.46 3.38 -1.47 -2.38 115.31 116.98 3dki h LEU 112 Ca 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3dki h LEU 112 Cb 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dki h LEU 112 CO -0.05 0.11 0.21 -0.07 0.09 0.00 0.00 178.44 178.73 3dki h LEU 113 N 0.19 1.00 -0.03 1.67 3.38 -1.45 -2.97 115.31 117.11 3dki h LEU 113 Ca 0.06 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3dki h LEU 113 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dki h LEU 113 CO -0.03 0.95 -0.07 -0.33 0.09 0.00 0.00 178.44 179.04 3dki h GLU 114 N 1.01 -0.11 -0.93 1.13 5.08 -1.10 -1.49 114.58 118.16 3dki h GLU 114 Ca 0.22 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.70 3dki h GLU 114 Cb 0.31 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 3dki h GLU 114 CO -0.01 -0.08 0.56 -0.07 -1.00 0.00 0.00 179.01 178.42 3dki h LEU 115 N -0.12 0.81 0.00 1.33 3.38 -1.27 0.22 115.31 119.66 3dki h LEU 115 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dki h LEU 115 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dki h LEU 115 CO -0.10 0.43 0.00 -1.22 0.09 0.00 0.00 178.44 177.64 3dki n TYR 116 N -4.68 0.00 0.00 1.13 4.01 -1.16 -4.91 117.16 111.55 3dki n TYR 116 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3dki n TYR 116 Cb 0.34 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3dki n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dki n GLY 117 N 1.10 1.07 3.77 2.72 0.00 0.06 -4.54 105.19 109.37 3dki n GLY 117 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3dki n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dki s ALA 118 N -2.00 3.16 0.24 4.61 0.00 -0.59 -4.76 121.76 122.41 3dki s ALA 118 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3dki s ALA 118 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3dki s ALA 118 CO 0.00 -0.51 0.59 -1.14 0.00 0.00 0.00 175.76 174.70 3dki s GLN 119 N -2.29 3.89 -0.05 0.00 2.00 -0.55 -4.32 119.66 118.33 3dki s GLN 119 Ca 0.57 0.41 0.06 0.00 -2.00 0.00 0.00 55.36 54.40 3dki s GLN 119 Cb -0.30 -2.66 -0.01 0.00 0.80 0.00 0.00 33.01 30.84 3dki s GLN 119 CO 0.38 0.31 -0.23 0.42 -0.50 0.00 0.00 175.29 175.67 3dki s ILE 120 N -1.78 1.89 -0.09 -2.34 1.01 -1.26 -0.73 121.20 117.89 3dki s ILE 120 Ca 0.47 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3dki s ILE 120 Cb -0.12 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3dki s ILE 120 CO 0.20 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.84 3dki s ILE 121 N -0.13 1.76 -0.21 2.92 1.01 0.11 -4.95 121.20 121.72 3dki s ILE 121 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 3dki s ILE 121 Cb -0.13 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 3dki s ILE 121 CO 0.03 0.49 0.15 -0.36 0.00 0.00 0.00 174.94 175.26 3dki s PHE 122 N 0.48 3.39 0.50 3.97 0.40 -1.26 -0.84 117.98 124.62 3dki s PHE 122 Ca -0.17 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.57 3dki s PHE 122 Cb -0.17 -2.21 0.04 0.00 0.51 0.00 0.00 43.02 41.19 3dki s PHE 122 CO 0.07 0.22 0.62 -1.54 0.70 0.00 0.00 175.22 175.29 3dki s SER 123 N 0.56 5.23 0.32 1.36 1.04 0.37 -4.79 113.70 117.80 3dki s SER 123 Ca 0.09 -0.74 -0.29 0.00 0.48 0.00 0.00 55.95 55.49 3dki s SER 123 Cb -0.12 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.77 3dki s SER 123 CO 0.00 -1.03 1.46 0.00 0.98 0.00 0.00 173.24 174.65 3dki s ALA 124 N -2.55 3.60 0.20 5.32 0.00 -1.26 -0.41 121.76 126.67 3dki s ALA 124 Ca 0.55 1.44 -0.10 0.00 0.00 0.00 0.00 51.96 53.85 3dki s ALA 124 Cb -0.06 -3.58 0.22 0.00 0.00 0.00 0.00 23.12 19.70 3dki s ALA 124 CO 0.34 -0.87 1.79 0.00 0.00 0.00 0.00 175.76 177.01 3dki h ALA 125 N 3.95 0.80 -0.83 0.00 0.00 -1.93 -3.04 119.26 118.21 3dki h ALA 125 Ca -0.48 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3dki h ALA 125 Cb 1.23 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3dki h ALA 125 CO 0.71 -0.03 0.51 1.49 0.00 0.00 0.00 179.25 181.92 3dki h GLU 126 N 0.58 0.90 -0.00 0.00 4.81 -2.02 -2.51 114.58 116.34 3dki h GLU 126 Ca 0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3dki h GLU 126 Cb 0.20 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dki h GLU 126 CO -0.19 0.60 -0.05 0.41 -0.73 0.00 0.00 179.01 179.04 3dki n GLY 127 N -1.32 -1.14 7.00 1.92 0.00 -1.15 -5.00 105.19 105.50 3dki n GLY 127 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3dki n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dki n GLY 128 N 1.27 1.87 0.16 -0.02 0.00 -0.95 -1.92 105.19 105.60 3dki n GLY 128 Ca 0.15 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 3dki n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dki h SER 129 N 6.18 0.31 -0.71 1.61 4.64 -1.92 -2.53 113.55 121.14 3dki h SER 129 Ca 0.00 -0.21 0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3dki h SER 129 Cb 0.00 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 61.92 3dki h SER 129 CO 0.00 0.93 0.31 0.78 -0.87 0.00 0.00 176.83 177.98 3dki h ASN 130 N 0.18 0.35 0.11 4.97 2.35 -1.98 0.26 115.58 121.82 3dki h ASN 130 Ca -0.02 0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 3dki h ASN 130 Cb 1.28 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.68 3dki h ASN 130 CO 0.11 0.18 -0.67 0.74 -1.65 0.00 0.00 177.43 176.15 3dki h THR 131 N 0.51 1.34 -0.56 2.81 2.02 -1.29 -2.16 112.91 115.59 3dki h THR 131 Ca 0.36 -1.99 0.02 0.00 0.77 0.00 0.00 66.41 65.57 3dki h THR 131 Cb 0.46 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 3dki h THR 131 CO -0.32 0.61 0.35 0.00 0.37 0.00 0.00 175.52 176.52 3dki h ALA 132 N 0.90 0.71 -0.23 6.16 0.00 -0.92 0.17 119.26 126.05 3dki h ALA 132 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3dki h ALA 132 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3dki h ALA 132 CO 0.12 0.09 0.03 0.28 0.00 0.00 0.00 179.25 179.78 3dki h VAL 133 N 0.70 1.23 -0.73 0.00 2.07 -0.49 -0.98 116.25 118.06 3dki h VAL 133 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3dki h VAL 133 Cb -0.03 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dki h VAL 133 CO -0.07 0.24 0.47 0.00 0.02 0.00 0.00 177.57 178.23 3dki h ALA 134 N 0.84 0.92 -0.38 1.67 0.00 -1.12 -1.29 119.26 119.89 3dki h ALA 134 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dki h ALA 134 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dki h ALA 134 CO 0.01 0.35 0.19 1.15 0.00 0.00 0.00 179.25 180.95 3dki h THR 135 N 0.99 1.17 -0.41 0.00 2.02 -0.60 -0.03 112.91 116.04 3dki h THR 135 Ca 0.26 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.03 3dki h THR 135 Cb -0.10 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3dki h THR 135 CO -0.06 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.10 3dki h ALA 136 N 1.04 0.45 -0.30 6.16 0.00 -0.86 -0.62 119.26 125.11 3dki h ALA 136 Ca 0.13 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dki h ALA 136 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dki h ALA 136 CO -0.02 -0.31 0.08 -0.22 0.00 0.00 0.00 179.25 178.78 3dki h LYS 137 N 0.22 0.49 -0.71 0.00 3.64 -1.06 -0.17 116.57 118.98 3dki h LYS 137 Ca 0.20 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3dki h LYS 137 Cb 0.23 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3dki h LYS 137 CO -0.25 0.56 0.33 0.93 -2.27 0.00 0.00 179.45 178.75 3dki h GLU 138 N 0.33 1.01 -0.21 1.90 5.08 -0.82 -1.95 114.58 119.93 3dki h GLU 138 Ca 0.10 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dki h GLU 138 Cb 0.29 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dki h GLU 138 CO 0.00 0.79 0.07 -0.07 -1.00 0.00 0.00 179.01 178.79 3dki h LEU 139 N 1.00 0.30 -1.54 1.33 3.38 -0.86 -3.03 115.31 115.89 3dki h LEU 139 Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dki h LEU 139 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dki h LEU 139 CO -0.03 0.42 0.14 0.00 0.09 0.00 0.00 178.44 179.06 3dki h ALA 140 N 0.89 1.65 0.00 1.53 0.00 -0.81 -1.25 119.26 121.27 3dki h ALA 140 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dki h ALA 140 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dki h ALA 140 CO -0.00 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3dki n ALA 141 N -2.48 1.37 0.49 0.00 0.00 -0.75 -2.80 120.51 116.34 3dki n ALA 141 Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.72 3dki n ALA 141 Cb 0.12 -1.35 0.39 0.00 0.00 0.00 0.00 19.45 18.61 3dki n ALA 141 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3dki h THR 142 N 0.00 0.00 -2.74 0.00 1.35 -1.25 -3.45 112.91 106.82 3dki h THR 142 Ca 0.00 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3dki h THR 142 Cb 0.19 1.50 -0.14 0.00 -1.73 0.00 0.00 68.15 67.97 3dki h THR 142 CO 0.00 0.00 0.22 0.54 -0.25 0.00 0.00 175.52 176.03 3dki s ASN 143 N -4.87 -0.58 0.39 5.36 4.22 -1.12 -5.04 114.94 113.31 3dki s ASN 143 Ca 0.08 0.15 0.28 0.00 -2.14 0.00 0.00 52.86 51.24 3dki s ASN 143 Cb 0.10 0.57 1.29 0.00 1.28 0.00 0.00 41.25 44.50 3dki s ASN 143 CO 0.58 -0.87 1.84 1.55 -2.04 0.00 0.00 177.10 178.16 3dki h PRO 144 N 2.21 0.00 -0.01 3.55 0.13 -1.87 -0.27 132.00 135.74 3dki h PRO 144 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3dki h PRO 144 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dki h PRO 144 CO 0.38 0.00 -0.30 0.45 -0.23 0.00 0.00 178.00 178.30 3dki n SER 145 N -2.54 1.01 -4.53 1.44 2.88 -1.26 -4.81 113.62 105.82 3dki n SER 145 Ca 0.00 -0.85 -0.37 0.00 -1.33 0.00 0.00 58.87 56.33 3dki n SER 145 Cb 0.18 0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.70 3dki n SER 145 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3dki s TRP 146 N -2.56 3.16 -0.02 0.66 0.52 -0.11 -1.87 118.94 118.71 3dki s TRP 146 Ca 0.23 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.24 3dki s TRP 146 Cb 0.19 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 3dki s TRP 146 CO 0.54 -0.20 -0.17 0.08 0.02 0.00 0.00 176.95 177.23 3dki s VAL 147 N 1.42 1.35 -0.18 4.03 1.01 0.33 -4.69 120.40 123.67 3dki s VAL 147 Ca 0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3dki s VAL 147 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3dki s VAL 147 CO 0.05 0.39 0.02 -0.32 0.00 0.00 0.00 175.10 175.24 3dki s MET 148 N -0.26 3.83 0.01 2.72 1.75 -1.26 -0.08 119.30 126.00 3dki s MET 148 Ca 0.03 -0.42 0.06 0.00 -1.25 0.00 0.00 55.69 54.12 3dki s MET 148 Cb -0.08 -3.11 -0.24 0.00 2.84 0.00 0.00 34.83 34.24 3dki s MET 148 CO 0.00 0.22 0.86 -0.07 -0.65 0.00 0.00 175.02 175.38 3dki h LEU 149 N 6.84 0.11 -2.46 4.11 3.38 -1.98 -3.49 115.31 121.82 3dki h LEU 149 Ca -0.35 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3dki h LEU 149 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dki h LEU 149 CO 0.66 1.15 -0.51 0.00 0.09 0.00 0.00 178.44 179.83 3dki n TYR 150 N -3.25 -3.31 0.32 1.13 9.36 -1.26 -4.52 117.16 115.63 3dki n TYR 150 Ca -0.13 1.33 0.20 0.00 3.32 0.00 0.00 57.90 62.62 3dki n TYR 150 Cb 1.02 -3.83 1.08 0.00 -0.63 0.00 0.00 39.34 36.97 3dki n TYR 150 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 3dki h GLN 151 N 1.72 0.00 0.00 2.98 3.07 -1.95 -1.62 115.11 119.31 3dki h GLN 151 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.67 3dki h GLN 151 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 3dki h GLN 151 CO 0.22 0.01 0.00 1.88 0.09 0.00 0.00 178.83 181.03 3dki h TYR 152 N 0.00 0.00 0.00 0.06 0.05 -1.90 -3.33 116.97 111.84 3dki h TYR 152 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dki h TYR 152 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3dki h TYR 152 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3dki n GLY 153 N 1.07 -0.35 3.59 3.88 0.00 -0.75 -2.07 105.19 110.57 3dki n GLY 153 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3dki n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dki s ASN 154 N -0.05 6.58 0.64 1.61 3.84 -0.69 -4.75 114.94 122.13 3dki s ASN 154 Ca 0.00 0.38 0.38 0.00 0.21 0.00 0.00 52.86 53.83 3dki s ASN 154 Cb 0.00 -2.43 2.13 0.00 -0.55 0.00 0.00 41.25 40.40 3dki s ASN 154 CO 0.00 -0.84 2.27 -0.65 -2.79 0.00 0.00 177.10 175.09 3dki h PRO 155 N 8.61 0.00 0.00 0.43 0.11 -1.93 0.69 132.00 139.90 3dki h PRO 155 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3dki h PRO 155 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dki h PRO 155 CO 0.96 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.66 3dki h ALA 156 N 1.91 1.37 0.80 -0.75 0.00 -1.92 0.88 119.26 121.55 3dki h ALA 156 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3dki h ALA 156 Cb 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dki h ALA 156 CO -0.00 0.12 -0.39 -0.97 0.00 0.00 0.00 179.25 178.01 3dki h ASN 157 N 0.00 -0.91 -0.41 0.00 -0.73 -1.13 -1.69 115.58 110.71 3dki h ASN 157 Ca -0.00 0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.28 3dki h ASN 157 Cb 0.25 0.24 -0.08 0.00 0.27 0.00 0.00 38.32 39.00 3dki h ASN 157 CO 0.01 -0.56 -0.10 0.74 -0.37 0.00 0.00 177.43 177.16 3dki h THR 158 N -1.27 0.59 -0.21 -3.57 2.02 -1.62 -2.51 112.91 106.34 3dki h THR 158 Ca -0.11 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3dki h THR 158 Cb 0.83 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3dki h THR 158 CO 0.18 0.00 0.09 -0.78 0.37 0.00 0.00 175.52 175.39 3dki h ASP 159 N 0.00 0.25 0.09 4.18 3.58 -0.78 -0.55 116.42 123.19 3dki h ASP 159 Ca 0.20 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 3dki h ASP 159 Cb 0.30 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 3dki h ASP 159 CO -0.42 0.23 -0.07 0.77 -2.88 0.00 0.00 179.24 176.86 3dki h SER 160 N 0.29 0.00 0.56 2.28 4.64 -0.83 -0.67 113.55 119.81 3dki h SER 160 Ca 0.08 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.11 3dki h SER 160 Cb 0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3dki h SER 160 CO -0.01 0.07 -1.59 0.45 -0.87 0.00 0.00 176.83 174.88 3dki h HIS 161 N 0.00 0.05 -0.32 4.77 3.86 -1.17 -2.23 115.15 120.10 3dki h HIS 161 Ca -0.00 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3dki h HIS 161 Cb 0.14 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3dki h HIS 161 CO 0.00 1.06 -0.28 -0.92 0.86 0.00 0.00 177.93 178.65 3dki h TYR 162 N 0.01 0.77 0.00 2.45 3.20 -0.85 0.80 116.97 123.34 3dki h TYR 162 Ca -0.24 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3dki h TYR 162 Cb 1.97 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.06 3dki h TYR 162 CO 0.01 0.88 -1.02 0.00 -1.64 0.00 0.00 178.16 176.39 3dki n GLY 164 N 1.46 0.22 0.22 0.00 0.00 -0.84 -4.76 105.19 101.49 3dki n GLY 164 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3dki n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dki h THR 165 N 0.00 0.59 0.91 2.61 2.02 -1.57 -1.80 112.91 115.66 3dki h THR 165 Ca 0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3dki h THR 165 Cb 0.00 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3dki h THR 165 CO 0.00 0.03 -0.44 1.23 0.37 0.00 0.00 175.52 176.71 3dki h GLY 166 N 0.16 -1.27 0.83 2.16 0.00 -1.09 -1.74 103.07 102.12 3dki h GLY 166 Ca 0.29 0.47 0.09 0.00 0.00 0.00 0.00 47.33 48.18 3dki h GLY 166 CO -0.44 -0.46 0.53 -2.55 0.00 0.00 0.00 176.54 173.62 3dki h PRO 167 N -1.29 0.76 -0.79 4.80 0.11 -1.73 -1.42 132.00 132.43 3dki h PRO 167 Ca -0.12 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3dki h PRO 167 Cb 0.94 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 3dki h PRO 167 CO 0.20 0.50 0.32 0.93 -0.21 0.00 0.00 178.00 179.75 3dki h GLU 168 N 0.78 1.17 -0.32 1.05 5.08 -1.20 -1.78 114.58 119.37 3dki h GLU 168 Ca 0.37 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3dki h GLU 168 Cb 0.41 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dki h GLU 168 CO -0.15 0.95 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.66 3dki h LEU 169 N 1.14 0.62 -0.87 1.33 3.38 -0.63 -0.99 115.31 119.29 3dki h LEU 169 Ca 0.26 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dki h LEU 169 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3dki h LEU 169 CO -0.02 0.84 0.15 0.25 0.09 0.00 0.00 178.44 179.75 3dki h LEU 170 N 0.39 0.93 -0.32 1.67 5.85 -1.22 0.30 115.31 122.91 3dki h LEU 170 Ca 0.08 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3dki h LEU 170 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3dki h LEU 170 CO 0.03 0.90 0.05 0.00 -0.34 0.00 0.00 178.44 179.08 3dki h ALA 171 N 1.22 0.42 0.00 1.25 0.00 -1.14 -2.61 119.26 118.40 3dki h ALA 171 Ca 0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3dki h ALA 171 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dki h ALA 171 CO 0.00 0.12 -0.53 -0.44 0.00 0.00 0.00 179.25 178.40 3dki h ASP 172 N 0.35 0.00 -2.00 0.00 3.32 -1.01 -3.40 116.42 113.68 3dki h ASP 172 Ca 0.10 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.60 3dki h ASP 172 Cb 0.36 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.52 3dki h ASP 172 CO 0.01 0.42 -1.12 -0.11 -1.72 0.00 0.00 179.24 176.71 3dki n LEU 173 N -3.16 0.32 0.32 1.55 7.94 0.10 -4.95 117.00 119.13 3dki n LEU 173 Ca 0.01 -4.75 0.19 0.00 -1.11 0.00 0.00 56.01 50.35 3dki n LEU 173 Cb 0.71 0.64 1.08 0.00 0.53 0.00 0.00 43.42 46.37 3dki n LEU 173 CO 0.40 2.11 1.15 1.55 -1.11 0.00 0.00 177.39 181.49 3dki h PRO 174 N 3.83 0.00 -0.35 1.96 0.13 -1.66 -1.63 132.00 134.27 3dki h PRO 174 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3dki h PRO 174 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3dki h PRO 174 CO 0.47 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.40 3dki n GLU 175 N -3.39 1.70 -1.67 0.86 0.00 -1.26 -4.95 120.64 111.93 3dki n GLU 175 Ca -0.03 -0.94 -0.46 0.00 0.00 0.00 0.00 57.16 55.74 3dki n GLU 175 Cb 0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 31.44 30.20 3dki n GLU 175 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 3dki n ILE 176 N 0.24 0.01 -0.07 3.84 3.06 -0.61 -4.54 119.36 121.29 3dki n ILE 176 Ca 0.09 -0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.26 3dki n ILE 176 Cb 0.27 -1.58 -0.11 0.00 0.54 0.00 0.00 39.64 38.76 3dki n ILE 176 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3dki n THR 177 N 3.50 0.97 -3.96 9.51 -2.24 -0.70 -4.80 114.28 116.55 3dki n THR 177 Ca 0.17 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3dki n THR 177 Cb 0.29 -0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 3dki n THR 177 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dki s HIS 178 N -2.34 0.18 -0.11 4.78 3.76 -1.12 -0.52 115.29 119.91 3dki s HIS 178 Ca -0.08 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 3dki s HIS 178 Cb 0.04 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.62 3dki s HIS 178 CO 0.56 -0.03 -0.23 0.12 -0.85 0.00 0.00 174.74 174.32 3dki s PHE 179 N -0.25 2.61 -0.09 1.40 5.36 0.58 -1.57 117.98 126.03 3dki s PHE 179 Ca -0.02 -1.10 0.03 0.00 -0.96 0.00 0.00 56.93 54.87 3dki s PHE 179 Cb -0.02 -1.75 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3dki s PHE 179 CO -0.00 -0.46 -0.16 0.08 -1.46 0.00 0.00 175.22 173.21 3dki s VAL 180 N 0.48 1.48 0.10 3.12 1.01 -0.13 0.04 120.40 126.50 3dki s VAL 180 Ca -0.15 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 3dki s VAL 180 Cb -0.17 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3dki s VAL 180 CO 0.06 0.43 0.40 0.00 0.00 0.00 0.00 175.10 175.99 3dki s ALA 181 N 0.65 -0.93 0.62 5.51 0.00 -1.02 -1.92 121.76 124.66 3dki s ALA 181 Ca -0.14 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 3dki s ALA 181 Cb -0.16 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3dki s ALA 181 CO 0.04 -0.57 1.04 0.20 0.00 0.00 0.00 175.76 176.47 3dki s GLY 182 N -2.53 1.88 -0.34 0.00 0.00 -1.26 -1.64 107.32 103.44 3dki s GLY 182 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 3dki s GLY 182 CO -0.09 0.46 0.11 -2.27 0.00 0.00 0.00 173.10 171.32 3dki s LEU 183 N -4.88 4.30 0.00 0.66 0.20 -0.75 -4.71 118.68 113.49 3dki s LEU 183 Ca 0.59 -1.06 0.00 0.00 0.69 0.00 0.00 54.13 54.35 3dki s LEU 183 Cb -0.13 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 3dki s LEU 183 CO 0.45 -0.31 0.00 0.61 -0.29 0.00 0.00 176.35 176.80 3dki n GLY 184 N 4.84 0.59 0.27 7.98 0.00 -1.26 -1.13 105.19 116.47 3dki n GLY 184 Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.05 3dki n GLY 184 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dki h THR 185 N 0.00 0.03 0.00 2.61 1.35 -1.93 -3.44 112.91 111.53 3dki h THR 185 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3dki h THR 185 Cb 0.00 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3dki h THR 185 CO 0.00 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 3dki n THR 186 N -3.11 0.00 -0.18 6.82 -2.24 -1.26 -4.66 114.28 109.66 3dki n THR 186 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 3dki n THR 186 Cb 0.35 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.65 3dki n THR 186 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dki h GLY 187 N 0.00 0.75 0.95 3.38 0.00 -1.91 0.16 103.07 106.40 3dki h GLY 187 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3dki h GLY 187 CO 0.00 0.07 -0.09 -0.84 0.00 0.00 0.00 176.54 175.68 3dki h THR 188 N 0.46 0.85 -0.44 4.70 2.02 -1.90 0.77 112.91 119.37 3dki h THR 188 Ca 0.25 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 3dki h THR 188 Cb 0.22 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3dki h THR 188 CO -0.21 0.03 0.02 -0.07 0.37 0.00 0.00 175.52 175.66 3dki h LEU 189 N -0.30 0.74 -0.29 2.58 3.38 -1.78 -1.08 115.31 118.56 3dki h LEU 189 Ca -0.03 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3dki h LEU 189 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dki h LEU 189 CO 0.04 0.86 -0.15 0.24 0.09 0.00 0.00 178.44 179.51 3dki h MET 190 N 0.61 0.62 0.00 1.13 2.86 -0.53 0.73 114.93 120.34 3dki h MET 190 Ca 0.13 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3dki h MET 190 Cb 0.46 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3dki h MET 190 CO 0.02 0.86 -0.01 0.78 1.06 0.00 0.00 176.91 179.61 3dki h GLY 191 N 0.36 0.00 0.83 8.32 0.00 -0.86 -2.19 103.07 109.53 3dki h GLY 191 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.43 3dki h GLY 191 CO 0.05 0.00 0.46 -0.84 0.00 0.00 0.00 176.54 176.20 3dki h THR 192 N -1.00 1.08 -0.37 4.70 2.02 -1.32 -2.16 112.91 115.86 3dki h THR 192 Ca -0.00 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3dki h THR 192 Cb 0.71 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3dki h THR 192 CO -0.00 0.16 0.08 1.23 0.37 0.00 0.00 175.52 177.36 3dki h GLY 193 N 0.88 0.65 0.96 2.16 0.00 -0.95 -0.37 103.07 106.41 3dki h GLY 193 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3dki h GLY 193 CO -0.13 0.39 0.18 -0.09 0.00 0.00 0.00 176.54 176.89 3dki h ARG 194 N 0.46 0.45 0.16 4.80 2.43 -1.29 -0.57 114.38 120.81 3dki h ARG 194 Ca 0.12 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3dki h ARG 194 Cb 0.32 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3dki h ARG 194 CO 0.00 0.37 -0.19 0.35 -1.51 0.00 0.00 179.97 178.99 3dki h PHE 195 N 0.41 -0.51 -0.86 2.20 3.57 -1.21 -2.23 116.94 118.30 3dki h PHE 195 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3dki h PHE 195 Cb 0.05 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3dki h PHE 195 CO -0.03 -0.29 0.47 -0.07 -2.23 0.00 0.00 178.31 176.16 3dki h LEU 196 N -0.40 1.08 -1.57 0.59 3.38 -0.98 -1.89 115.31 115.51 3dki h LEU 196 Ca 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3dki h LEU 196 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dki h LEU 196 CO -0.07 0.87 -0.23 0.03 0.09 0.00 0.00 178.44 179.13 3dki h ARG 197 N 1.21 0.00 0.00 1.13 3.08 -0.95 0.17 114.38 119.02 3dki h ARG 197 Ca 0.30 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3dki h ARG 197 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3dki h ARG 197 CO -0.05 0.23 -0.31 0.93 -1.07 0.00 0.00 179.97 179.70 3dki h GLU 198 N 0.00 0.00 0.00 0.04 5.08 -0.73 -3.38 114.58 115.58 3dki h GLU 198 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dki h GLU 198 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3dki h GLU 198 CO 0.03 0.31 -0.02 0.72 -1.00 0.00 0.00 179.01 179.05 3dki n HIS 199 N -3.25 0.00 -3.79 4.33 8.25 -0.91 -4.95 115.22 114.89 3dki n HIS 199 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 3dki n HIS 199 Cb 0.59 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.54 3dki n HIS 199 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dki s VAL 200 N -1.02 0.82 0.24 1.59 1.01 0.55 -5.06 120.40 118.53 3dki s VAL 200 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 3dki s VAL 200 Cb 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.01 3dki s VAL 200 CO 0.00 -0.18 1.69 0.00 0.00 0.00 0.00 175.10 176.61 3dki n ALA 201 N 4.94 2.78 -1.19 5.51 0.00 -1.26 -2.97 120.51 128.32 3dki n ALA 201 Ca -0.10 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.67 3dki n ALA 201 Cb 0.46 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 3dki n ALA 201 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3dki n ASN 202 N 3.34 -4.85 -4.77 0.00 2.85 -1.26 -5.00 115.26 105.58 3dki n ASN 202 Ca 0.13 0.16 -0.41 0.00 -0.11 0.00 0.00 54.58 54.35 3dki n ASN 202 Cb 0.36 -2.92 -0.01 0.00 1.24 0.00 0.00 39.78 38.45 3dki n ASN 202 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3dki s VAL 203 N -1.88 2.34 -0.11 3.44 0.11 -1.16 -4.97 120.40 118.17 3dki s VAL 203 Ca 0.00 0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 3dki s VAL 203 Cb 0.00 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 3dki s VAL 203 CO 0.00 0.08 0.06 -0.54 -3.33 0.00 0.00 175.10 171.37 3dki s LYS 204 N -1.88 3.27 -0.24 1.54 -0.14 0.32 -4.93 119.74 117.68 3dki s LYS 204 Ca 0.52 -0.30 -0.02 0.00 -1.36 0.00 0.00 55.97 54.81 3dki s LYS 204 Cb -0.44 -2.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.74 3dki s LYS 204 CO 0.58 0.68 -0.06 0.42 -0.76 0.00 0.00 175.35 176.21 3dki s ILE 205 N -0.79 2.99 -0.18 2.17 -1.09 -1.26 -0.30 121.20 122.74 3dki s ILE 205 Ca 0.13 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 57.66 3dki s ILE 205 Cb -0.12 -2.47 0.01 0.00 -1.58 0.00 0.00 42.46 38.31 3dki s ILE 205 CO 0.03 0.27 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.15 3dki s VAL 206 N 1.37 2.45 0.08 2.92 1.01 0.11 -0.50 120.40 127.84 3dki s VAL 206 Ca 0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 3dki s VAL 206 Cb -0.16 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 3dki s VAL 206 CO -0.04 0.51 0.51 0.00 0.00 0.00 0.00 175.10 176.08 3dki s ALA 207 N 1.22 3.62 -0.15 5.51 0.00 0.36 -2.44 121.76 129.88 3dki s ALA 207 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3dki s ALA 207 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 3dki s ALA 207 CO -0.08 0.45 -0.08 0.00 0.00 0.00 0.00 175.76 176.05 3dki s ALA 208 N -1.25 2.79 0.06 0.00 0.00 -0.65 -0.87 121.76 121.82 3dki s ALA 208 Ca 0.31 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3dki s ALA 208 Cb -0.17 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3dki s ALA 208 CO 0.18 0.11 -0.06 -1.83 0.00 0.00 0.00 175.76 174.17 3dki s GLU 209 N 0.56 0.61 0.62 0.00 -1.05 -0.20 -1.82 118.70 117.42 3dki s GLU 209 Ca -0.06 -1.02 -0.14 0.00 -0.15 0.00 0.00 54.97 53.61 3dki s GLU 209 Cb -0.15 -0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.42 3dki s GLU 209 CO 0.03 -0.02 1.05 -2.14 0.95 0.00 0.00 175.26 175.12 3dki s PRO 210 N -2.79 3.30 0.56 -4.83 0.02 -1.26 -1.07 135.00 128.94 3dki s PRO 210 Ca -0.00 1.06 -0.20 0.00 0.02 0.00 0.00 61.00 61.88 3dki s PRO 210 Cb -0.01 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 3dki s PRO 210 CO -0.04 -0.81 1.19 1.03 -0.33 0.00 0.00 177.00 178.05 3dki s ARG 211 N -4.46 3.19 0.07 5.54 0.52 -1.13 -4.55 118.95 118.13 3dki s ARG 211 Ca 0.61 1.80 -0.32 0.00 -0.52 0.00 0.00 55.73 57.29 3dki s ARG 211 Cb -0.14 -2.04 -0.11 0.00 0.52 0.00 0.00 34.95 33.18 3dki s ARG 211 CO 0.43 -1.03 1.82 0.98 0.02 0.00 0.00 175.30 177.52 3dki n TYR 212 N -1.32 2.48 0.00 -0.53 -0.00 -1.26 -1.70 117.16 114.83 3dki n TYR 212 Ca 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 3dki n TYR 212 Cb 0.49 -2.69 0.00 0.00 -0.00 0.00 0.00 39.34 37.14 3dki n TYR 212 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dki n GLY 213 N 4.17 1.89 3.10 2.98 0.00 -1.26 -4.97 105.19 111.10 3dki n GLY 213 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3dki n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dki s GLU 214 N -0.69 2.71 0.44 1.61 2.02 -0.69 -5.08 118.70 119.02 3dki s GLU 214 Ca 0.00 -2.69 -0.25 0.00 0.02 0.00 0.00 54.97 52.04 3dki s GLU 214 Cb 0.00 -3.78 -0.08 0.00 0.10 0.00 0.00 34.13 30.37 3dki s GLU 214 CO 0.00 -1.20 1.40 0.20 0.02 0.00 0.00 175.26 175.68 3dki s GLY 215 N 0.49 2.92 -0.11 -1.39 0.00 -1.26 -4.08 107.32 103.89 3dki s GLY 215 Ca 0.19 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.33 3dki s GLY 215 CO -0.05 2.02 -0.14 0.14 0.00 0.00 0.00 173.10 175.06 3dki s VAL 216 N -1.22 1.46 0.17 1.40 1.01 -1.26 -4.83 120.40 117.13 3dki s VAL 216 Ca 0.60 -0.61 -0.33 0.00 0.00 0.00 0.00 61.98 61.63 3dki s VAL 216 Cb -0.42 -1.35 -0.15 0.00 0.00 0.00 0.00 36.38 34.45 3dki s VAL 216 CO 0.55 0.43 1.25 -1.22 0.00 0.00 0.00 175.10 176.11 3dki n TYR 217 N 4.30 1.50 -0.05 5.22 4.01 -1.26 -1.15 117.16 129.73 3dki n TYR 217 Ca -0.19 0.62 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 3dki n TYR 217 Cb 0.51 -2.33 0.00 0.00 -0.31 0.00 0.00 39.34 37.21 3dki n TYR 217 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dki n ALA 218 N 1.81 0.00 -2.75 -0.72 0.00 -1.26 -4.34 120.51 113.24 3dki n ALA 218 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 3dki n ALA 218 Cb 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 3dki n ALA 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dki s LEU 219 N 0.00 3.58 -0.02 0.00 1.02 -0.30 -4.16 118.68 118.80 3dki s LEU 219 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.78 3dki s LEU 219 Cb 0.00 -2.12 0.01 0.00 0.02 0.00 0.00 46.19 44.10 3dki s LEU 219 CO 0.00 -0.01 -0.02 -0.60 0.02 0.00 0.00 176.35 175.74 3dki s ARG 220 N -3.69 0.40 -0.17 1.70 3.52 -0.29 -4.57 118.95 115.85 3dki s ARG 220 Ca 0.32 -0.04 -0.21 0.00 -0.13 0.00 0.00 55.73 55.66 3dki s ARG 220 Cb -0.08 -0.48 -0.03 0.00 -1.56 0.00 0.00 34.95 32.81 3dki s ARG 220 CO 0.23 -0.04 0.65 1.21 -0.81 0.00 0.00 175.30 176.54 3dki s ASN 221 N 0.55 6.75 0.39 -2.12 3.84 -1.26 -4.40 114.94 118.70 3dki s ASN 221 Ca -0.06 0.91 0.21 0.00 0.21 0.00 0.00 52.86 54.14 3dki s ASN 221 Cb -0.09 -2.36 0.35 0.00 -0.55 0.00 0.00 41.25 38.60 3dki s ASN 221 CO -0.01 -0.25 1.59 0.24 -2.79 0.00 0.00 177.10 175.88 3dki h MET 222 N 7.33 0.00 0.06 0.43 2.86 -1.91 0.40 114.93 124.10 3dki h MET 222 Ca -0.33 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3dki h MET 222 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3dki h MET 222 CO 0.78 0.18 -0.03 -0.44 1.06 0.00 0.00 176.91 178.46 3dki h ASP 223 N 0.00 -0.07 0.15 1.22 3.32 -1.97 -3.32 116.42 115.75 3dki h ASP 223 Ca -0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.63 3dki h ASP 223 Cb 1.08 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3dki h ASP 223 CO 0.02 0.27 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.29 3dki h GLU 224 N -0.41 0.36 -5.67 3.56 4.81 -1.94 -3.47 114.58 111.83 3dki h GLU 224 Ca -0.01 -0.18 -0.62 0.00 -0.13 0.00 0.00 59.36 58.42 3dki h GLU 224 Cb 0.36 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 3dki h GLU 224 CO 0.01 0.73 -0.36 0.20 -0.73 0.00 0.00 179.01 178.86 3dki s GLY 225 N -4.17 2.61 0.14 1.92 0.00 0.11 -5.05 107.32 102.88 3dki s GLY 225 Ca -0.05 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 3dki s GLY 225 CO 0.79 -2.04 1.34 -0.12 0.00 0.00 0.00 173.10 173.08 3dki s PHE 226 N -2.83 3.27 -0.27 1.90 5.36 -1.26 -4.78 117.98 119.38 3dki s PHE 226 Ca 0.23 1.09 -0.27 0.00 -0.96 0.00 0.00 56.93 57.02 3dki s PHE 226 Cb -0.01 -3.63 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 3dki s PHE 226 CO 0.14 -2.08 0.97 0.08 -1.46 0.00 0.00 175.22 172.88 3dki s VAL 227 N 0.70 4.69 0.28 3.12 1.01 -1.26 -4.94 120.40 123.98 3dki s VAL 227 Ca 0.61 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 3dki s VAL 227 Cb -0.36 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.61 3dki s VAL 227 CO 0.33 -0.24 1.29 -2.65 0.00 0.00 0.00 175.10 173.83 3dki n PRO 228 N 6.38 1.91 0.18 2.72 -0.02 -1.26 -4.86 135.00 140.04 3dki n PRO 228 Ca 0.10 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.43 3dki n PRO 228 Cb 0.47 -2.25 0.81 0.00 -0.02 0.00 0.00 33.50 32.51 3dki n PRO 228 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dki h GLU 229 N 3.27 0.00 0.00 -0.52 3.07 -1.82 -0.16 114.58 118.42 3dki h GLU 229 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3dki h GLU 229 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3dki h GLU 229 CO 0.69 0.00 0.00 -0.07 -1.40 0.00 0.00 179.01 178.23 3dki h LEU 230 N 0.00 0.00 -9.44 1.33 3.38 -1.69 -3.45 115.31 105.44 3dki h LEU 230 Ca 0.11 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.55 3dki h LEU 230 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3dki h LEU 230 CO -0.00 0.00 0.80 -0.47 0.09 0.00 0.00 178.44 178.85 3dki s TYR 231 N -3.82 2.98 -0.26 1.13 5.04 -0.08 -4.97 117.35 117.37 3dki s TYR 231 Ca -0.01 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 3dki s TYR 231 Cb 0.10 -3.68 0.06 0.00 0.35 0.00 0.00 41.96 38.80 3dki s TYR 231 CO 0.49 -2.47 -0.08 0.34 -1.34 0.00 0.00 175.55 172.49 3dki s ASP 232 N 1.62 4.38 0.46 4.32 -1.08 -1.26 -5.03 116.67 120.07 3dki s ASP 232 Ca 0.65 -1.44 0.17 0.00 -0.52 0.00 0.00 52.55 51.40 3dki s ASP 232 Cb -0.34 -1.49 1.07 0.00 -1.46 0.00 0.00 42.92 40.70 3dki s ASP 232 CO 0.28 -0.22 1.99 1.55 0.52 0.00 0.00 175.17 179.30 3dki h PRO 233 N 7.79 0.00 -0.29 4.34 0.13 -1.98 -2.69 132.00 139.31 3dki h PRO 233 Ca -0.17 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.04 3dki h PRO 233 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3dki h PRO 233 CO 0.46 0.19 0.31 0.93 -0.23 0.00 0.00 178.00 179.65 3dki h GLU 234 N 0.00 0.00 -0.33 0.86 5.08 -2.03 -2.89 114.58 115.28 3dki h GLU 234 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3dki h GLU 234 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3dki h GLU 234 CO 0.02 0.00 -0.37 0.82 -1.00 0.00 0.00 179.01 178.48 3dki h ILE 235 N 0.00 1.28 -3.89 3.13 1.08 -1.90 -3.45 117.51 113.76 3dki h ILE 235 Ca 0.14 -1.54 -0.48 0.00 -0.39 0.00 0.00 64.86 62.59 3dki h ILE 235 Cb 0.75 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 3dki h ILE 235 CO -0.00 0.50 0.38 -0.76 -0.69 0.00 0.00 178.15 177.58 3dki s LEU 236 N -8.73 4.33 0.03 1.44 1.02 -1.09 -4.71 118.68 110.97 3dki s LEU 236 Ca -0.09 1.94 0.22 0.00 0.02 0.00 0.00 54.13 56.22 3dki s LEU 236 Cb 0.12 -4.00 -0.24 0.00 0.02 0.00 0.00 46.19 42.09 3dki s LEU 236 CO 0.85 -0.18 0.64 0.35 0.02 0.00 0.00 176.35 178.03 3dki n THR 237 N 0.51 0.16 -3.57 5.49 -2.24 0.35 -4.95 114.28 110.03 3dki n THR 237 Ca 0.02 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3dki n THR 237 Cb 0.49 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 3dki n THR 237 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dki s ALA 238 N -3.47 -1.82 -0.04 6.98 0.00 -1.10 -5.00 121.76 117.31 3dki s ALA 238 Ca -0.06 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3dki s ALA 238 Cb 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3dki s ALA 238 CO 0.88 -0.34 -0.12 0.50 0.00 0.00 0.00 175.76 176.68 3dki s ARG 239 N -0.60 1.33 -0.13 0.00 3.52 -1.26 -0.49 118.95 121.31 3dki s ARG 239 Ca -0.05 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3dki s ARG 239 Cb -0.02 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 3dki s ARG 239 CO 0.05 0.12 -0.22 0.71 -0.81 0.00 0.00 175.30 175.14 3dki s TYR 240 N 0.30 2.63 0.14 5.12 1.51 -0.05 -4.96 117.35 122.04 3dki s TYR 240 Ca -0.06 -1.30 -0.22 0.00 -1.01 0.00 0.00 57.07 54.48 3dki s TYR 240 Cb -0.11 -1.79 -0.08 0.00 -0.11 0.00 0.00 41.96 39.87 3dki s TYR 240 CO 0.02 -0.58 0.69 -1.12 -1.11 0.00 0.00 175.55 173.44 3dki s SER 241 N 0.76 7.21 -0.06 2.29 0.01 -1.26 -1.03 113.70 121.62 3dki s SER 241 Ca -0.09 1.46 0.01 0.00 1.31 0.00 0.00 55.95 58.64 3dki s SER 241 Cb -0.16 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.66 3dki s SER 241 CO -0.01 0.20 -0.05 -0.69 0.41 0.00 0.00 173.24 173.10 3dki s VAL 242 N -1.20 0.67 0.68 3.43 1.01 -0.23 -4.85 120.40 119.90 3dki s VAL 242 Ca 0.35 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 3dki s VAL 242 Cb -0.21 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3dki s VAL 242 CO 0.23 0.27 1.07 -0.83 0.00 0.00 0.00 175.10 175.83 3dki s GLY 243 N 1.12 1.82 0.24 4.51 0.00 -1.26 -2.84 107.32 110.91 3dki s GLY 243 Ca -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 3dki s GLY 243 CO -0.01 0.56 1.79 0.00 0.00 0.00 0.00 173.10 175.45 3dki h ALA 244 N -0.46 1.12 -0.44 3.20 0.00 -1.88 -0.91 119.26 119.88 3dki h ALA 244 Ca -0.45 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3dki h ALA 244 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3dki h ALA 244 CO 0.55 0.02 0.06 0.28 0.00 0.00 0.00 179.25 180.16 3dki h VAL 245 N 0.70 1.25 -0.74 0.00 2.07 -1.93 -0.69 116.25 116.91 3dki h VAL 245 Ca 0.39 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3dki h VAL 245 Cb 0.40 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3dki h VAL 245 CO -0.27 0.32 0.24 0.44 0.02 0.00 0.00 177.57 178.32 3dki h ASP 246 N 0.59 1.07 -0.46 0.57 3.32 -1.84 0.14 116.42 119.79 3dki h ASP 246 Ca 0.13 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3dki h ASP 246 Cb 0.40 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3dki h ASP 246 CO 0.01 0.98 0.20 0.00 -1.72 0.00 0.00 179.24 178.71 3dki h ALA 247 N 1.16 0.60 -0.13 3.45 0.00 -0.81 -1.95 119.26 121.58 3dki h ALA 247 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dki h ALA 247 Cb 0.29 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dki h ALA 247 CO -0.01 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.72 3dki h VAL 248 N 0.61 1.25 -0.58 0.00 2.07 -1.06 -2.33 116.25 116.20 3dki h VAL 248 Ca 0.16 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3dki h VAL 248 Cb 0.17 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3dki h VAL 248 CO -0.02 0.23 0.29 0.08 0.02 0.00 0.00 177.57 178.17 3dki h ARG 249 N -0.04 0.81 -0.21 1.57 0.11 -0.85 -2.36 114.38 113.42 3dki h ARG 249 Ca 0.04 -0.10 -0.16 0.00 0.10 0.00 0.00 59.98 59.86 3dki h ARG 249 Cb 0.35 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 3dki h ARG 249 CO 0.01 0.62 -0.54 0.00 0.10 0.00 0.00 179.97 180.16 3dki h ARG 250 N 0.82 0.61 -0.65 0.08 2.47 -1.35 -1.65 114.38 114.71 3dki h ARG 250 Ca 0.20 -0.38 0.05 0.00 -1.26 0.00 0.00 59.98 58.59 3dki h ARG 250 Cb 0.07 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 3dki h ARG 250 CO -0.03 0.99 0.37 1.15 0.56 0.00 0.00 179.97 183.01 3dki h THR 251 N 0.47 1.00 -0.16 2.04 2.02 -1.16 -0.85 112.91 116.25 3dki h THR 251 Ca 0.01 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3dki h THR 251 Cb 1.09 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3dki h THR 251 CO 0.11 0.13 -0.02 0.03 0.37 0.00 0.00 175.52 176.13 3dki h ARG 252 N 0.69 0.30 -0.93 6.66 3.08 -1.25 -3.07 114.38 119.87 3dki h ARG 252 Ca 0.28 -0.11 0.11 0.00 0.07 0.00 0.00 59.98 60.33 3dki h ARG 252 Cb 0.14 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.09 3dki h ARG 252 CO -0.16 0.55 0.57 1.49 -1.07 0.00 0.00 179.97 181.34 3dki h GLU 253 N 0.03 0.89 -0.55 0.04 4.81 -1.15 -1.43 114.58 117.22 3dki h GLU 253 Ca 0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3dki h GLU 253 Cb 0.42 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3dki h GLU 253 CO 0.01 0.59 0.20 1.25 -0.73 0.00 0.00 179.01 180.34 3dki h LEU 254 N 0.92 0.77 -0.18 1.64 5.85 -1.09 -0.75 115.31 122.46 3dki h LEU 254 Ca 0.45 -0.18 -0.23 0.00 0.84 0.00 0.00 57.88 58.76 3dki h LEU 254 Cb 0.42 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.25 3dki h LEU 254 CO -0.25 0.75 -0.89 1.62 -0.34 0.00 0.00 178.44 179.32 3dki h VAL 255 N 0.75 1.34 -0.60 1.05 3.04 -1.30 0.03 116.25 120.56 3dki h VAL 255 Ca 0.18 -2.24 -0.05 0.00 -1.01 0.00 0.00 66.70 63.58 3dki h VAL 255 Cb 0.23 2.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.74 3dki h VAL 255 CO -0.01 0.68 0.19 -0.74 -1.01 0.00 0.00 177.57 176.68 3dki h HIS 256 N 0.34 0.97 0.02 3.17 -0.00 -1.17 -1.83 115.15 116.65 3dki h HIS 256 Ca -0.08 -0.10 -0.36 0.00 -0.00 0.00 0.00 60.37 59.83 3dki h HIS 256 Cb 1.51 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 28.59 3dki h HIS 256 CO 0.07 0.80 -2.24 2.41 -0.00 0.00 0.00 177.93 178.98 3dki n THR 257 N -4.40 1.53 0.08 6.26 -1.04 -0.30 -4.61 114.28 111.80 3dki n THR 257 Ca 0.03 -0.72 0.01 0.00 -2.04 0.00 0.00 64.05 61.33 3dki n THR 257 Cb 0.21 -1.08 -0.01 0.00 -1.82 0.00 0.00 70.33 67.64 3dki n THR 257 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dki n GLU 258 N -3.08 5.48 -1.04 -2.82 -0.58 -0.04 -4.85 120.64 113.71 3dki n GLU 258 Ca -0.34 -0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.30 3dki n GLU 258 Cb 1.07 -0.64 -0.01 0.00 -0.57 0.00 0.00 31.44 31.29 3dki n GLU 258 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dki n GLY 259 N 0.92 0.51 3.49 0.62 0.00 -0.69 -4.98 105.19 105.06 3dki n GLY 259 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3dki n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dki s ILE 260 N -1.99 4.83 -0.65 -0.61 1.01 -1.23 -4.95 121.20 117.61 3dki s ILE 260 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 3dki s ILE 260 Cb 0.00 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.21 3dki s ILE 260 CO 0.00 0.13 0.67 0.12 0.00 0.00 0.00 174.94 175.85 3dki s PHE 261 N 1.66 3.31 0.33 3.97 5.36 -1.26 -2.80 117.98 128.55 3dki s PHE 261 Ca 0.06 -1.39 0.09 0.00 -0.96 0.00 0.00 56.93 54.72 3dki s PHE 261 Cb -0.17 -3.90 -0.05 0.00 -0.34 0.00 0.00 43.02 38.57 3dki s PHE 261 CO 0.08 -1.12 0.08 0.00 -1.46 0.00 0.00 175.22 172.79 3dki s ALA 262 N 1.59 3.35 0.97 11.12 0.00 -1.26 -1.56 121.76 135.98 3dki s ALA 262 Ca 0.11 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.07 3dki s ALA 262 Cb -0.22 -0.62 0.22 0.00 0.00 0.00 0.00 23.12 22.50 3dki s ALA 262 CO -0.00 0.08 1.33 0.20 0.00 0.00 0.00 175.76 177.37 3dki s GLY 263 N -3.78 1.81 0.36 0.00 0.00 -0.42 -3.37 107.32 101.93 3dki s GLY 263 Ca 0.36 -1.33 0.18 0.00 0.00 0.00 0.00 44.72 43.93 3dki s GLY 263 CO 0.21 -0.53 1.69 0.16 0.00 0.00 0.00 173.10 174.63 3dki h ILE 264 N -1.67 0.86 -0.04 0.90 3.07 -1.91 -2.59 117.51 116.13 3dki h ILE 264 Ca -0.44 -1.62 -0.03 0.00 1.55 0.00 0.00 64.86 64.33 3dki h ILE 264 Cb 1.22 2.01 -0.01 0.00 -0.27 0.00 0.00 36.82 39.77 3dki h ILE 264 CO 0.34 0.38 -0.10 0.77 -1.05 0.00 0.00 178.15 178.49 3dki h SER 265 N 0.00 0.06 0.08 2.16 4.64 -1.94 -1.99 113.55 116.56 3dki h SER 265 Ca -0.00 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 3dki h SER 265 Cb 0.97 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3dki h SER 265 CO 0.05 0.17 -0.36 0.74 -0.87 0.00 0.00 176.83 176.56 3dki h THR 266 N 0.06 1.29 -0.74 2.95 2.02 -1.75 -1.53 112.91 115.22 3dki h THR 266 Ca 0.01 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.77 3dki h THR 266 Cb 0.22 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 3dki h THR 266 CO 0.01 0.45 0.46 1.23 0.37 0.00 0.00 175.52 178.05 3dki h GLY 267 N 1.12 1.08 0.97 2.16 0.00 -1.39 0.42 103.07 107.43 3dki h GLY 267 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3dki h GLY 267 CO 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 176.54 176.83 3dki h ALA 268 N 1.32 0.56 -0.32 3.60 0.00 -1.34 -0.40 119.26 122.69 3dki h ALA 268 Ca 0.30 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dki h ALA 268 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dki h ALA 268 CO -0.12 0.40 0.17 0.28 0.00 0.00 0.00 179.25 179.98 3dki h VAL 269 N 0.58 1.01 -0.83 0.00 2.07 -1.04 -2.15 116.25 115.89 3dki h VAL 269 Ca 0.11 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3dki h VAL 269 Cb 0.57 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3dki h VAL 269 CO 0.03 0.07 0.40 0.25 0.02 0.00 0.00 177.57 178.34 3dki h LEU 270 N 0.36 1.08 -0.40 2.57 5.85 -0.04 -0.02 115.31 124.70 3dki h LEU 270 Ca 0.13 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dki h LEU 270 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3dki h LEU 270 CO -0.07 0.91 0.26 -0.74 -0.34 0.00 0.00 178.44 178.45 3dki h HIS 271 N 1.18 0.52 -0.52 1.25 2.76 -0.79 0.26 115.15 119.81 3dki h HIS 271 Ca 0.29 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3dki h HIS 271 Cb 0.11 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3dki h HIS 271 CO 0.01 0.34 0.23 0.00 -1.30 0.00 0.00 177.93 177.22 3dki h ALA 272 N 1.13 0.67 -0.52 5.26 0.00 -1.18 -1.86 119.26 122.76 3dki h ALA 272 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dki h ALA 272 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dki h ALA 272 CO -0.03 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.73 3dki h ALA 273 N 1.07 0.66 -0.31 0.00 0.00 -0.56 0.20 119.26 120.33 3dki h ALA 273 Ca 0.17 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3dki h ALA 273 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dki h ALA 273 CO -0.02 0.21 -0.24 -0.07 0.00 0.00 0.00 179.25 179.13 3dki h LEU 274 N 0.69 0.61 -0.30 0.00 3.38 -0.93 0.27 115.31 119.02 3dki h LEU 274 Ca 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dki h LEU 274 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3dki h LEU 274 CO -0.03 0.84 0.16 1.23 0.09 0.00 0.00 178.44 180.73 3dki h GLY 275 N 1.00 0.45 1.00 0.83 0.00 -0.98 0.23 103.07 105.60 3dki h GLY 275 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3dki h GLY 275 CO 0.05 0.20 0.42 -2.08 0.00 0.00 0.00 176.54 175.13 3dki h VAL 276 N 0.36 1.19 -0.70 4.60 2.07 -0.70 -2.76 116.25 120.33 3dki h VAL 276 Ca 0.10 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3dki h VAL 276 Cb 0.07 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3dki h VAL 276 CO -0.02 0.20 0.40 1.23 0.02 0.00 0.00 177.57 179.41 3dki h GLY 277 N 0.94 1.03 1.25 2.17 0.00 -0.24 -1.89 103.07 106.33 3dki h GLY 277 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3dki h GLY 277 CO -0.05 0.43 0.25 0.00 0.00 0.00 0.00 176.54 177.17 3dki h ALA 278 N 1.21 1.22 -0.28 3.60 0.00 -0.42 -0.80 119.26 123.79 3dki h ALA 278 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dki h ALA 278 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3dki h ALA 278 CO -0.04 0.57 -0.01 0.78 0.00 0.00 0.00 179.25 180.54 3dki h GLY 279 N 1.03 0.55 0.79 0.00 0.00 -1.36 -0.82 103.07 103.26 3dki h GLY 279 Ca 0.22 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3dki h GLY 279 CO -0.02 0.38 0.44 0.00 0.00 0.00 0.00 176.54 177.34 3dki h ALA 280 N 0.82 0.96 -0.12 3.60 0.00 -0.96 -1.02 119.26 122.53 3dki h ALA 280 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dki h ALA 280 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dki h ALA 280 CO 0.02 0.18 0.03 1.25 0.00 0.00 0.00 179.25 180.73 3dki h LEU 281 N 0.83 0.19 -1.25 0.00 5.85 -0.99 0.18 115.31 120.12 3dki h LEU 281 Ca 0.30 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3dki h LEU 281 Cb 0.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3dki h LEU 281 CO -0.14 0.37 0.37 0.00 -0.34 0.00 0.00 178.44 178.70 3dki h ALA 282 N 0.83 1.43 0.00 1.25 0.00 -1.01 -2.03 119.26 119.73 3dki h ALA 282 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dki h ALA 282 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dki h ALA 282 CO 0.00 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3dki n ALA 283 N -2.44 2.37 -1.95 0.00 0.00 -0.40 -4.92 120.51 113.18 3dki n ALA 283 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 3dki n ALA 283 Cb 0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3dki n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dki n GLY 284 N 1.38 0.28 3.89 0.00 0.00 -0.51 -5.02 105.19 105.21 3dki n GLY 284 Ca 0.10 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3dki n GLY 284 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dki s GLU 285 N -4.06 3.61 0.20 1.61 0.41 0.51 -4.68 118.70 116.30 3dki s GLU 285 Ca 0.00 -0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 3dki s GLU 285 Cb 0.00 -2.97 -0.08 0.00 -1.78 0.00 0.00 34.13 29.30 3dki s GLU 285 CO 0.00 0.56 0.93 0.50 -0.49 0.00 0.00 175.26 176.76 3dki s ARG 286 N -2.22 4.79 -0.10 1.61 3.00 -1.26 -4.46 118.95 120.31 3dki s ARG 286 Ca 0.34 1.45 -0.09 0.00 -1.00 0.00 0.00 55.73 56.43 3dki s ARG 286 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 34.95 31.54 3dki s ARG 286 CO 0.21 0.44 0.28 0.00 0.00 0.00 0.00 175.30 176.23 3dki s ALA 287 N -0.86 -0.68 -0.30 6.12 0.00 -0.83 -5.01 121.76 120.20 3dki s ALA 287 Ca 0.42 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3dki s ALA 287 Cb -0.25 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.49 3dki s ALA 287 CO 0.31 -0.14 0.05 -0.51 0.00 0.00 0.00 175.76 175.48 3dki s ASP 288 N 0.24 4.13 -0.32 0.00 1.01 -1.26 -0.94 116.67 119.52 3dki s ASP 288 Ca -0.01 -1.65 -0.08 0.00 0.71 0.00 0.00 52.55 51.53 3dki s ASP 288 Cb -0.03 -1.11 0.02 0.00 1.01 0.00 0.00 42.92 42.82 3dki s ASP 288 CO -0.00 -0.37 0.12 -0.63 0.21 0.00 0.00 175.17 174.50 3dki s ILE 289 N 1.40 4.11 -0.08 0.77 1.01 0.71 -1.72 121.20 127.40 3dki s ILE 289 Ca 0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 3dki s ILE 289 Cb -0.18 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3dki s ILE 289 CO -0.16 -0.05 0.50 0.00 0.00 0.00 0.00 174.94 175.23 3dki s ALA 290 N 1.50 3.50 0.04 9.38 0.00 -0.61 -0.32 121.76 135.25 3dki s ALA 290 Ca 0.02 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.88 3dki s ALA 290 Cb -0.18 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3dki s ALA 290 CO 0.04 0.09 -0.14 -0.48 0.00 0.00 0.00 175.76 175.27 3dki s LEU 291 N 0.26 2.18 -0.12 0.00 0.05 -0.07 -0.95 118.68 120.02 3dki s LEU 291 Ca 0.27 -0.46 -0.21 0.00 0.05 0.00 0.00 54.13 53.77 3dki s LEU 291 Cb -0.16 -0.57 -0.03 0.00 -2.05 0.00 0.00 46.19 43.38 3dki s LEU 291 CO 0.12 0.02 0.62 -0.69 -0.55 0.00 0.00 176.35 175.87 3dki s VAL 292 N -0.88 5.08 -0.63 1.48 1.01 -0.81 -0.90 120.40 124.75 3dki s VAL 292 Ca 0.01 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 3dki s VAL 292 Cb -0.08 -3.95 0.16 0.00 0.00 0.00 0.00 36.38 32.51 3dki s VAL 292 CO 0.01 0.23 0.59 -0.69 0.00 0.00 0.00 175.10 175.24 3dki s VAL 293 N 1.06 5.34 -0.11 2.92 1.01 -0.52 -4.73 120.40 125.37 3dki s VAL 293 Ca 0.32 -1.81 0.14 0.00 0.00 0.00 0.00 61.98 60.63 3dki s VAL 293 Cb -0.16 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3dki s VAL 293 CO 0.14 -0.92 1.36 0.00 0.00 0.00 0.00 175.10 175.68 3dki h ALA 294 N 8.53 0.62 -2.93 5.51 0.00 -1.93 -0.64 119.26 128.43 3dki h ALA 294 Ca -0.17 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.24 3dki h ALA 294 Cb 1.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3dki h ALA 294 CO 0.95 0.75 0.27 0.16 0.00 0.00 0.00 179.25 181.38 3dki s ASP 295 N -6.44 -0.19 0.54 0.00 -4.77 -1.26 -0.99 116.67 103.56 3dki s ASP 295 Ca 0.03 -0.71 0.01 0.00 -3.30 0.00 0.00 52.55 48.58 3dki s ASP 295 Cb 0.08 0.73 0.03 0.00 -1.09 0.00 0.00 42.92 42.67 3dki s ASP 295 CO 0.76 -1.38 0.77 0.00 0.70 0.00 0.00 175.17 176.02 3dki s ALA 296 N -3.47 3.85 -0.19 2.11 0.00 -1.25 -1.30 121.76 121.51 3dki s ALA 296 Ca 0.12 -1.26 0.29 0.00 0.00 0.00 0.00 51.96 51.11 3dki s ALA 296 Cb -0.05 -2.11 1.10 0.00 0.00 0.00 0.00 23.12 22.05 3dki s ALA 296 CO 0.07 -0.70 1.85 0.78 0.00 0.00 0.00 175.76 177.76 3dki h GLY 297 N 0.10 0.00 -0.08 0.00 0.00 -1.29 -3.17 103.07 98.64 3dki h GLY 297 Ca -0.43 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.01 3dki h GLY 297 CO 0.53 0.00 -0.15 1.49 0.00 0.00 0.00 176.54 178.41 3dki h TRP 298 N 0.00 -0.33 0.00 5.60 4.06 -1.89 0.03 115.95 123.42 3dki h TRP 298 Ca 0.00 0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3dki h TRP 298 Cb 0.55 0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 3dki h TRP 298 CO 0.00 -0.24 0.00 0.36 -3.56 0.00 0.00 178.44 175.00 3dki n LYS 299 N -5.38 0.06 0.00 0.49 2.85 -1.26 -2.73 118.16 112.19 3dki n LYS 299 Ca 0.05 0.26 0.11 0.00 -1.05 0.00 0.00 58.31 57.68 3dki n LYS 299 Cb 0.29 -1.61 0.01 0.00 -0.65 0.00 0.00 35.03 33.07 3dki n LYS 299 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dki n TYR 300 N -1.72 0.00 0.19 5.58 4.01 -0.01 -4.54 117.16 120.67 3dki n TYR 300 Ca 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 3dki n TYR 300 Cb 0.22 -0.01 0.38 0.00 -0.31 0.00 0.00 39.34 39.62 3dki n TYR 300 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 3dki h LEU 301 N 1.97 0.00 0.00 7.72 8.10 -1.41 -2.37 115.31 129.32 3dki h LEU 301 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3dki h LEU 301 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 3dki h LEU 301 CO 0.00 0.37 0.00 -1.54 -4.11 0.00 0.00 178.44 173.16 3dki n SER 302 N -3.79 0.00 -0.63 0.17 3.41 -1.26 -3.19 113.62 108.33 3dki n SER 302 Ca -0.01 -0.34 0.05 0.00 -0.26 0.00 0.00 58.87 58.31 3dki n SER 302 Cb 0.44 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.55 3dki n SER 302 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dki n THR 303 N -0.84 1.05 -0.74 6.66 5.66 -0.89 -4.96 114.28 120.21 3dki n THR 303 Ca 0.04 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 3dki n THR 303 Cb 0.02 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 3dki n THR 303 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dki n GLY 304 N 0.45 0.03 0.00 1.09 0.00 -1.19 -4.83 105.19 100.73 3dki n GLY 304 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3dki n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dki n ALA 305 N 1.00 1.93 0.04 4.61 0.00 -1.26 -3.01 120.51 123.81 3dki n ALA 305 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.40 3dki n ALA 305 Cb 0.22 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 3dki n ALA 305 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dki n TYR 306 N -1.35 0.00 -4.48 0.00 4.02 -1.26 -4.88 117.16 109.21 3dki n TYR 306 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.72 3dki n TYR 306 Cb 0.16 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 3dki n TYR 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dki s ALA 307 N -2.48 2.86 0.00 -0.72 0.00 -1.16 -5.06 121.76 115.20 3dki s ALA 307 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.99 3dki s ALA 307 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3dki s ALA 307 CO 0.34 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3dki n GLY 308 N -0.71 -1.83 3.88 0.00 0.00 -1.26 -4.84 105.19 100.44 3dki n GLY 308 Ca -0.05 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3dki n GLY 308 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dki s SER 309 N -4.00 6.49 0.36 1.61 1.04 -1.26 -4.96 113.70 112.99 3dki s SER 309 Ca 0.00 1.03 0.05 0.00 0.48 0.00 0.00 55.95 57.51 3dki s SER 309 Cb 0.00 -2.28 0.70 0.00 0.10 0.00 0.00 66.02 64.54 3dki s SER 309 CO 0.00 -0.37 1.97 -0.07 0.98 0.00 0.00 173.24 175.75 3dki h LEU 310 N 1.29 0.54 -0.23 2.42 3.38 -1.94 -2.04 115.31 118.72 3dki h LEU 310 Ca -0.47 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.46 3dki h LEU 310 Cb 1.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3dki h LEU 310 CO 0.64 0.48 0.11 0.44 0.09 0.00 0.00 178.44 180.20 3dki h ASP 311 N 0.60 0.16 -0.14 -0.43 5.19 -1.99 -2.85 116.42 116.96 3dki h ASP 311 Ca 0.15 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.53 3dki h ASP 311 Cb 0.10 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3dki h ASP 311 CO -0.02 0.13 -0.02 0.44 -3.12 0.00 0.00 179.24 176.65 3dki h ASP 312 N 0.24 0.36 0.00 6.45 3.32 -1.85 -3.52 116.42 121.42 3dki h ASP 312 Ca 0.10 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3dki h ASP 312 Cb 0.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3dki h ASP 312 CO -0.07 0.44 0.00 0.00 -1.72 0.00 0.00 179.24 177.89