#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkw h PRO 2 N 0.00 0.00 -0.05 -0.72 0.13 -1.91 -0.67 132.00 128.78 1tkw h PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1tkw h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1tkw h PRO 2 CO 0.00 0.00 -0.55 0.97 -0.23 0.00 0.00 178.00 178.19 1tkw h ILE 3 N 0.00 1.38 -0.27 -3.56 6.09 -1.99 -2.58 117.51 116.58 1tkw h ILE 3 Ca 0.06 -1.87 -0.11 0.00 -1.37 0.00 0.00 64.86 61.57 1tkw h ILE 3 Cb 0.33 1.96 -0.01 0.00 0.47 0.00 0.00 36.82 39.57 1tkw h ILE 3 CO -0.00 0.55 -0.28 -0.26 -3.07 0.00 0.00 178.15 175.08 1tkw h PHE 4 N 0.10 0.62 -0.03 2.19 0.04 -1.55 0.16 116.94 118.48 1tkw h PHE 4 Ca -0.00 -0.15 -0.16 0.00 2.80 0.00 0.00 57.97 60.46 1tkw h PHE 4 Cb 1.00 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 39.02 1tkw h PHE 4 CO 0.01 0.78 -0.61 0.00 -0.60 0.00 0.00 178.31 177.88 1tkw h ALA 5 N 1.22 0.11 -0.30 2.45 0.00 -1.57 -3.14 119.26 118.03 1tkw h ALA 5 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1tkw h ALA 5 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1tkw h ALA 5 CO 0.06 0.39 0.16 1.96 0.00 0.00 0.00 179.25 181.81 1tkw h GLN 6 N -0.00 0.42 0.00 0.00 4.20 -1.34 -0.18 115.11 118.22 1tkw h GLN 6 Ca -0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1tkw h GLN 6 Cb 1.30 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1tkw h GLN 6 CO 0.12 0.37 -0.04 1.96 -0.67 0.00 0.00 178.83 180.58 1tkw h GLN 7 N 0.36 0.00 0.00 1.46 4.20 -0.76 -3.34 115.11 117.03 1tkw h GLN 7 Ca 0.11 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1tkw h GLN 7 Cb 0.08 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.63 1tkw h GLN 7 CO -0.02 0.04 -0.80 0.27 -0.67 0.00 0.00 178.83 177.65 1tkw n ASN 8 N -4.37 0.55 -3.62 1.46 6.94 -1.12 -5.01 115.26 110.09 1tkw n ASN 8 Ca -0.03 -1.98 -0.25 0.00 -0.02 0.00 0.00 54.58 52.30 1tkw n ASN 8 Cb 0.12 -0.24 -0.17 0.00 -2.36 0.00 0.00 39.78 37.14 1tkw n ASN 8 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1tkw s TYR 9 N 0.00 0.16 0.19 -2.53 2.02 -0.09 -5.04 117.35 112.07 1tkw s TYR 9 Ca 0.20 -0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1tkw s TYR 9 Cb 0.23 -0.66 0.10 0.00 -0.40 0.00 0.00 41.96 41.23 1tkw s TYR 9 CO -0.10 -0.47 1.66 1.05 -1.57 0.00 0.00 175.55 176.12 1tkw h GLU 10 N 8.42 1.06 -5.77 -0.62 4.11 -1.86 -3.42 114.58 116.51 1tkw h GLU 10 Ca -0.15 -0.32 -0.65 0.00 0.07 0.00 0.00 59.36 58.31 1tkw h GLU 10 Cb 1.15 -0.10 -0.31 0.00 0.50 0.00 0.00 28.75 29.98 1tkw h GLU 10 CO 0.27 1.02 -0.87 1.21 0.07 0.00 0.00 179.01 180.72 1tkw s ASN 11 N -6.57 2.75 0.31 3.06 3.84 -1.26 -4.98 114.94 112.09 1tkw s ASN 11 Ca -0.12 -0.46 0.25 0.00 0.21 0.00 0.00 52.86 52.75 1tkw s ASN 11 Cb 0.14 -0.75 0.72 0.00 -0.55 0.00 0.00 41.25 40.81 1tkw s ASN 11 CO 0.85 0.21 1.73 1.55 -2.79 0.00 0.00 177.10 178.66 1tkw h PRO 12 N 6.12 0.00 -5.14 0.43 0.13 -1.94 -3.44 132.00 128.16 1tkw h PRO 12 Ca -0.32 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.19 1tkw h PRO 12 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1tkw h PRO 12 CO 0.47 0.00 -0.55 0.50 -0.23 0.00 0.00 178.00 178.19 1tkw s ARG 13 N -3.20 3.96 0.66 0.86 3.52 -1.26 -1.26 118.95 122.24 1tkw s ARG 13 Ca 0.08 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1tkw s ARG 13 Cb 0.09 -3.37 0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1tkw s ARG 13 CO 0.59 0.10 0.96 -1.21 -0.81 0.00 0.00 175.30 174.94 1tkw s GLU 14 N 0.88 2.39 0.60 5.12 2.02 -0.48 -4.93 118.70 124.30 1tkw s GLU 14 Ca 0.05 -0.26 0.31 0.00 0.02 0.00 0.00 54.97 55.10 1tkw s GLU 14 Cb -0.13 -2.23 1.88 0.00 0.10 0.00 0.00 34.13 33.75 1tkw s GLU 14 CO 0.03 -1.07 2.26 0.00 0.02 0.00 0.00 175.26 176.50 1tkw h ALA 15 N -0.44 1.49 0.00 5.21 0.00 -1.99 -0.15 119.26 123.39 1tkw h ALA 15 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tkw h ALA 15 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1tkw h ALA 15 CO 0.60 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 180.08 1tkw n THR 16 N -3.77 0.65 -0.17 0.00 -2.24 -1.26 -4.87 114.28 102.62 1tkw n THR 16 Ca -0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1tkw n THR 16 Cb 0.09 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1tkw n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tkw n GLY 17 N 0.85 0.77 3.80 3.38 0.00 -0.07 -5.06 105.19 108.86 1tkw n GLY 17 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1tkw n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkw s ARG 18 N -0.83 4.14 0.22 1.61 0.52 -1.26 -4.79 118.95 118.57 1tkw s ARG 18 Ca 0.00 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.48 1tkw s ARG 18 Cb 0.00 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 1tkw s ARG 18 CO 0.00 0.53 0.93 0.42 0.02 0.00 0.00 175.30 177.19 1tkw s ILE 19 N -0.63 4.14 -0.67 1.52 1.01 -1.26 -1.38 121.20 123.92 1tkw s ILE 19 Ca 0.27 2.05 0.03 0.00 0.00 0.00 0.00 60.65 63.00 1tkw s ILE 19 Cb -0.17 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.02 1tkw s ILE 19 CO 0.15 0.49 1.01 1.33 0.00 0.00 0.00 174.94 177.91 1tkw n VAL 20 N 1.62 1.46 0.21 2.92 0.24 -0.39 -2.04 118.33 122.36 1tkw n VAL 20 Ca -0.02 0.54 0.08 0.00 -2.04 0.00 0.00 64.34 62.90 1tkw n VAL 20 Cb 0.47 -1.54 0.44 0.00 -1.47 0.00 0.00 33.84 31.74 1tkw n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tkw n ALA 22 N -2.29 1.51 0.10 0.00 0.00 -0.87 0.30 120.51 119.26 1tkw n ALA 22 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1tkw n ALA 22 Cb 0.43 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1tkw n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1tkw h ASN 23 N 0.00 0.00 0.00 0.00 2.35 -1.64 -3.38 115.58 112.91 1tkw h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1tkw h ASN 23 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1tkw h ASN 23 CO 0.00 0.80 -1.15 0.00 -1.65 0.00 0.00 177.43 175.43 1tkw s HIS 25 N -2.06 2.98 -0.48 0.00 3.76 0.15 -1.26 115.29 118.37 1tkw s HIS 25 Ca -0.01 -1.16 0.24 0.00 -0.15 0.00 0.00 55.06 53.97 1tkw s HIS 25 Cb 0.01 -4.31 0.32 0.00 1.11 0.00 0.00 32.58 29.71 1tkw s HIS 25 CO 0.09 -1.55 1.41 -0.07 -0.85 0.00 0.00 174.74 173.77 1tkw h LEU 26 N 10.78 0.00 -9.72 0.89 3.38 -1.83 -3.37 115.31 115.43 1tkw h LEU 26 Ca 0.05 -0.05 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1tkw h LEU 26 Cb 1.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1tkw h LEU 26 CO 1.15 0.02 0.05 0.00 0.09 0.00 0.00 178.44 179.75 1tkw s ALA 27 N -3.23 3.53 -0.11 1.53 0.00 -1.26 -4.93 121.76 117.29 1tkw s ALA 27 Ca 0.05 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1tkw s ALA 27 Cb 0.09 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1tkw s ALA 27 CO 0.70 0.36 0.41 0.45 0.00 0.00 0.00 175.76 177.68 1tkw s SER 28 N -1.18 6.63 0.02 0.00 0.15 -1.26 0.11 113.70 118.17 1tkw s SER 28 Ca 0.32 0.75 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 1tkw s SER 28 Cb -0.20 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1tkw s SER 28 CO 0.22 0.08 0.06 -0.54 1.20 0.00 0.00 173.24 174.26 1tkw s LYS 29 N 0.31 0.45 0.31 5.44 1.02 -0.60 -4.77 119.74 121.90 1tkw s LYS 29 Ca 0.23 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1tkw s LYS 29 Cb -0.15 0.18 -0.10 0.00 -0.52 0.00 0.00 37.83 37.24 1tkw s LYS 29 CO 0.09 -0.10 1.13 -1.25 -0.92 0.00 0.00 175.35 174.30 1tkw s PRO 30 N -1.80 4.51 0.05 -1.68 0.04 -1.26 -2.91 135.00 131.95 1tkw s PRO 30 Ca -0.12 1.85 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1tkw s PRO 30 Cb -0.06 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1tkw s PRO 30 CO -0.01 0.08 -0.20 0.08 0.04 0.00 0.00 177.00 176.99 1tkw s VAL 31 N -1.22 1.62 0.11 -0.36 1.01 -1.26 -4.14 120.40 116.16 1tkw s VAL 31 Ca 0.47 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1tkw s VAL 31 Cb -0.32 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1tkw s VAL 31 CO 0.42 0.17 -0.12 -0.62 0.00 0.00 0.00 175.10 174.95 1tkw s ASP 32 N -1.21 1.72 -0.14 3.32 2.15 -0.10 -4.69 116.67 117.72 1tkw s ASP 32 Ca 0.07 -0.82 -0.05 0.00 0.43 0.00 0.00 52.55 52.18 1tkw s ASP 32 Cb -0.09 -0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.57 1tkw s ASP 32 CO 0.02 -0.21 0.28 -0.51 -0.17 0.00 0.00 175.17 174.58 1tkw s ILE 33 N -2.35 -0.43 -0.17 4.11 2.07 -1.26 0.16 121.20 123.33 1tkw s ILE 33 Ca 0.08 0.27 -0.06 0.00 -1.41 0.00 0.00 60.65 59.52 1tkw s ILE 33 Cb -0.03 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1tkw s ILE 33 CO 0.01 0.11 0.03 -1.61 -1.91 0.00 0.00 174.94 171.58 1tkw s GLU 34 N 2.41 3.85 0.01 3.50 8.01 -0.40 -4.92 118.70 131.16 1tkw s GLU 34 Ca 0.01 -0.39 0.00 0.00 0.01 0.00 0.00 54.97 54.60 1tkw s GLU 34 Cb -0.12 -3.11 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 1tkw s GLU 34 CO -0.09 0.29 -0.03 0.08 0.01 0.00 0.00 175.26 175.52 1tkw s VAL 35 N 0.30 0.14 0.54 2.63 1.01 -1.26 -1.71 120.40 122.06 1tkw s VAL 35 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1tkw s VAL 35 Cb -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1tkw s VAL 35 CO 0.01 -0.29 1.36 -2.16 0.00 0.00 0.00 175.10 174.02 1tkw s PRO 36 N -0.93 3.16 0.30 2.72 0.04 -1.26 -4.89 135.00 134.15 1tkw s PRO 36 Ca -0.09 2.24 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 1tkw s PRO 36 Cb -0.06 -2.27 0.47 0.00 0.04 0.00 0.00 34.50 32.68 1tkw s PRO 36 CO -0.00 -1.17 1.97 0.37 0.04 0.00 0.00 177.00 178.20 1tkw h GLN 37 N 1.49 1.06 -3.55 4.56 5.75 -1.97 -3.43 115.11 119.01 1tkw h GLN 37 Ca -0.51 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 57.81 1tkw h GLN 37 Cb 1.30 -0.24 -0.18 0.00 1.07 0.00 0.00 27.48 29.43 1tkw h GLN 37 CO 0.57 0.70 -0.40 0.00 -2.65 0.00 0.00 178.83 177.06 1tkw s ALA 38 N -5.91 -0.37 0.05 3.38 0.00 -1.26 -1.95 121.76 115.71 1tkw s ALA 38 Ca -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1tkw s ALA 38 Cb 0.18 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1tkw s ALA 38 CO 0.79 -0.35 -0.03 0.14 0.00 0.00 0.00 175.76 176.31 1tkw s VAL 39 N -2.46 0.26 0.17 0.00 -7.23 -0.48 -4.90 120.40 105.75 1tkw s VAL 39 Ca -0.06 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1tkw s VAL 39 Cb -0.02 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1tkw s VAL 39 CO -0.03 -0.93 0.29 -0.76 -0.31 0.00 0.00 175.10 173.35 1tkw s LEU 40 N -2.76 4.28 0.37 1.32 2.01 -1.26 -0.10 118.68 122.53 1tkw s LEU 40 Ca 0.05 0.12 -0.26 0.00 0.01 0.00 0.00 54.13 54.04 1tkw s LEU 40 Cb 0.06 -2.85 -0.12 0.00 0.01 0.00 0.00 46.19 43.29 1tkw s LEU 40 CO -0.08 0.03 1.16 -0.81 1.01 0.00 0.00 176.35 177.65 1tkw n PRO 41 N -0.72 1.74 -3.95 1.29 -0.04 -1.26 -3.03 135.00 129.02 1tkw n PRO 41 Ca -0.08 0.61 -0.26 0.00 -0.04 0.00 0.00 63.50 63.74 1tkw n PRO 41 Cb 0.55 -2.17 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1tkw n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1tkw n ASP 42 N 0.67 -0.78 -4.19 3.54 2.03 0.08 -4.95 116.55 112.94 1tkw n ASP 42 Ca 0.07 -0.98 -0.22 0.00 0.52 0.00 0.00 54.79 54.19 1tkw n ASP 42 Cb 0.37 -3.16 -0.13 0.00 -0.72 0.00 0.00 41.12 37.47 1tkw n ASP 42 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1tkw s THR 43 N -3.86 1.33 0.07 5.18 -4.23 -1.17 -4.89 115.64 108.08 1tkw s THR 43 Ca 0.08 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.21 1tkw s THR 43 Cb -0.05 -1.21 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 1tkw s THR 43 CO 0.88 -0.00 0.59 -0.69 -0.54 0.00 0.00 174.62 174.85 1tkw s VAL 44 N -0.97 4.74 0.17 2.29 1.01 -1.26 -1.56 120.40 124.82 1tkw s VAL 44 Ca 0.03 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1tkw s VAL 44 Cb -0.09 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1tkw s VAL 44 CO 0.02 0.53 0.06 0.72 0.00 0.00 0.00 175.10 176.43 1tkw s PHE 45 N -0.98 1.10 -0.06 5.22 -0.71 -0.18 -4.98 117.98 117.40 1tkw s PHE 45 Ca 0.30 -1.18 0.04 0.00 -1.04 0.00 0.00 56.93 55.04 1tkw s PHE 45 Cb -0.20 -0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 40.98 1tkw s PHE 45 CO 0.19 -0.42 -0.15 -1.83 -1.34 0.00 0.00 175.22 171.67 1tkw s GLU 46 N -4.02 2.56 -0.32 1.99 -1.05 -1.26 -0.98 118.70 115.62 1tkw s GLU 46 Ca 0.28 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 54.34 1tkw s GLU 46 Cb 0.07 -2.38 0.04 0.00 -0.44 0.00 0.00 34.13 31.42 1tkw s GLU 46 CO 0.06 0.58 0.06 0.00 0.95 0.00 0.00 175.26 176.90 1tkw s ALA 47 N -0.61 2.96 -0.26 -0.84 0.00 -0.48 -4.49 121.76 118.04 1tkw s ALA 47 Ca 0.09 -1.70 -0.10 0.00 0.00 0.00 0.00 51.96 50.24 1tkw s ALA 47 Cb -0.11 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1tkw s ALA 47 CO 0.01 -1.25 0.17 0.54 0.00 0.00 0.00 175.76 175.23 1tkw s VAL 48 N 1.37 5.25 -0.14 0.00 0.11 -0.69 -1.16 120.40 125.12 1tkw s VAL 48 Ca -0.02 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 1tkw s VAL 48 Cb -0.19 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1tkw s VAL 48 CO 0.01 0.30 0.06 -0.69 -3.33 0.00 0.00 175.10 171.45 1tkw s VAL 49 N 1.43 4.77 -0.17 2.04 1.01 -0.22 -1.28 120.40 127.99 1tkw s VAL 49 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1tkw s VAL 49 Cb -0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1tkw s VAL 49 CO 0.08 0.53 -0.09 -0.54 0.00 0.00 0.00 175.10 175.07 1tkw s LYS 50 N -0.22 3.40 -0.65 2.72 1.02 0.12 -0.98 119.74 125.15 1tkw s LYS 50 Ca 0.08 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1tkw s LYS 50 Cb -0.12 -2.79 0.19 0.00 -0.52 0.00 0.00 37.83 34.60 1tkw s LYS 50 CO 0.01 0.06 0.55 -0.89 -0.92 0.00 0.00 175.35 174.16 1tkw n ILE 51 N 4.00 1.44 -2.87 2.17 5.41 0.11 -0.92 119.36 128.71 1tkw n ILE 51 Ca -0.18 -4.78 -0.36 0.00 1.00 0.00 0.00 62.75 58.43 1tkw n ILE 51 Cb 0.52 -2.10 -0.06 0.00 -0.71 0.00 0.00 39.64 37.28 1tkw n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1tkw s PRO 52 N -1.57 4.44 0.03 0.38 0.04 -1.26 -4.76 135.00 132.31 1tkw s PRO 52 Ca 0.30 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 1tkw s PRO 52 Cb 0.03 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 31.90 1tkw s PRO 52 CO -0.13 0.27 0.66 1.52 0.04 0.00 0.00 177.00 179.35 1tkw s TYR 53 N -1.67 -0.61 0.04 0.56 1.13 -1.26 -4.81 117.35 110.73 1tkw s TYR 53 Ca 0.50 0.81 -0.30 0.00 -1.41 0.00 0.00 57.07 56.67 1tkw s TYR 53 Cb -0.17 0.47 -0.08 0.00 -1.10 0.00 0.00 41.96 41.08 1tkw s TYR 53 CO 0.22 -0.70 1.69 0.34 -2.51 0.00 0.00 175.55 174.59 1tkw s ASP 54 N -1.79 6.60 0.00 -0.18 2.15 -1.26 -4.87 116.67 117.32 1tkw s ASP 54 Ca -0.06 2.45 0.14 0.00 0.43 0.00 0.00 52.55 55.51 1tkw s ASP 54 Cb -0.00 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.83 1tkw s ASP 54 CO 0.01 -0.91 1.51 0.23 -0.17 0.00 0.00 175.17 175.83 1tkw n MET 55 N 6.14 1.14 -0.02 4.34 2.81 -1.26 -3.14 117.12 127.12 1tkw n MET 55 Ca 0.17 -0.21 0.13 0.00 -1.81 0.00 0.00 57.70 55.97 1tkw n MET 55 Cb 0.41 -1.24 0.32 0.00 -0.71 0.00 0.00 33.22 32.00 1tkw n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tkw n GLN 56 N -0.51 2.00 -2.49 0.03 10.64 -1.26 -4.91 117.38 120.88 1tkw n GLN 56 Ca 0.11 -1.46 -0.41 0.00 -1.83 0.00 0.00 57.00 53.41 1tkw n GLN 56 Cb 0.10 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 27.97 1tkw n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1tkw s LEU 57 N -1.91 4.46 -0.11 2.61 1.43 -1.19 -5.04 118.68 118.93 1tkw s LEU 57 Ca 0.34 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1tkw s LEU 57 Cb 0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1tkw s LEU 57 CO 0.31 -0.28 -0.22 -0.54 0.23 0.00 0.00 176.35 175.85 1tkw s LYS 58 N -0.08 2.91 0.50 1.70 1.02 -1.26 -4.66 119.74 119.87 1tkw s LYS 58 Ca 0.51 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.74 1tkw s LYS 58 Cb -0.29 -2.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1tkw s LYS 58 CO 0.34 0.10 0.69 1.14 -0.92 0.00 0.00 175.35 176.70 1tkw s GLN 59 N 0.54 2.58 -0.38 1.68 -2.07 0.02 -4.76 119.66 117.27 1tkw s GLN 59 Ca -0.14 -1.19 -0.23 0.00 -1.82 0.00 0.00 55.36 51.97 1tkw s GLN 59 Cb -0.17 -2.64 0.01 0.00 -1.09 0.00 0.00 33.01 29.12 1tkw s GLN 59 CO 0.05 -0.57 0.80 0.08 -1.32 0.00 0.00 175.29 174.33 1tkw s VAL 60 N -2.57 4.70 0.94 3.63 1.01 -1.26 -1.22 120.40 125.63 1tkw s VAL 60 Ca 0.58 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 1tkw s VAL 60 Cb -0.09 -4.25 0.15 0.00 0.00 0.00 0.00 36.38 32.20 1tkw s VAL 60 CO 0.36 -0.50 1.09 -0.76 0.00 0.00 0.00 175.10 175.29 1tkw s LEU 61 N 3.19 1.97 0.00 3.92 1.02 0.23 -4.83 118.68 124.17 1tkw s LEU 61 Ca 0.32 1.35 0.00 0.00 0.02 0.00 0.00 54.13 55.82 1tkw s LEU 61 Cb -0.13 -3.67 0.00 0.00 0.02 0.00 0.00 46.19 42.41 1tkw s LEU 61 CO 0.18 -2.85 0.90 0.00 0.02 0.00 0.00 176.35 174.60 1tkw n ALA 62 N -4.01 0.98 -0.83 4.21 0.00 -1.26 -2.06 120.51 117.53 1tkw n ALA 62 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1tkw n ALA 62 Cb 0.56 -0.92 0.20 0.00 0.00 0.00 0.00 19.45 19.29 1tkw n ALA 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tkw n ASN 63 N -1.40 3.27 0.00 0.00 0.23 -1.26 -4.96 115.26 111.14 1tkw n ASN 63 Ca 0.00 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.22 1tkw n ASN 63 Cb 0.03 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 1tkw n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tkw n GLY 64 N -0.58 2.81 3.76 4.83 0.00 -0.88 -4.93 105.19 110.20 1tkw n GLY 64 Ca 0.17 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1tkw n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tkw s LYS 65 N 0.00 2.28 -0.11 1.61 -0.14 -1.26 -4.23 119.74 117.89 1tkw s LYS 65 Ca 0.00 1.26 -0.06 0.00 -1.36 0.00 0.00 55.97 55.82 1tkw s LYS 65 Cb 0.00 -1.89 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 1tkw s LYS 65 CO 0.00 -1.63 0.11 0.15 -0.76 0.00 0.00 175.35 173.22 1tkw s LYS 66 N -4.68 3.34 0.13 1.68 1.02 -1.26 0.75 119.74 120.72 1tkw s LYS 66 Ca 0.63 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.40 1tkw s LYS 66 Cb -0.19 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1tkw s LYS 66 CO 0.53 0.76 0.20 0.41 -0.92 0.00 0.00 175.35 176.33 1tkw n GLY 67 N 1.95 2.46 3.86 -3.33 0.00 -0.35 -4.87 105.19 104.91 1tkw n GLY 67 Ca -0.19 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1tkw n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkw s ALA 68 N -1.82 2.51 0.23 4.61 0.00 -1.26 -0.80 121.76 125.24 1tkw s ALA 68 Ca 0.09 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1tkw s ALA 68 Cb -0.01 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1tkw s ALA 68 CO 0.06 -1.63 0.39 -0.51 0.00 0.00 0.00 175.76 174.08 1tkw s LEU 69 N -5.62 4.23 0.19 0.00 1.02 -1.26 -4.74 118.68 112.50 1tkw s LEU 69 Ca 0.61 0.26 0.09 0.00 0.02 0.00 0.00 54.13 55.11 1tkw s LEU 69 Cb -0.12 -3.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 1tkw s LEU 69 CO 0.51 -0.09 -0.12 0.20 0.02 0.00 0.00 176.35 176.88 1tkw s ASN 70 N -3.62 4.11 0.26 2.29 0.01 -1.26 -1.88 114.94 114.84 1tkw s ASN 70 Ca 0.37 -0.64 0.10 0.00 -0.71 0.00 0.00 52.86 51.98 1tkw s ASN 70 Cb -0.10 -0.63 -0.05 0.00 0.41 0.00 0.00 41.25 40.88 1tkw s ASN 70 CO 0.30 0.10 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.21 1tkw s VAL 71 N -1.74 3.03 0.09 1.60 1.01 0.19 -2.27 120.40 122.31 1tkw s VAL 71 Ca 0.25 -2.06 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 1tkw s VAL 71 Cb -0.08 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1tkw s VAL 71 CO 0.14 -0.34 0.56 -0.83 0.00 0.00 0.00 175.10 174.64 1tkw s GLY 72 N -3.47 -0.51 0.12 4.51 0.00 -0.54 -1.24 107.32 106.19 1tkw s GLY 72 Ca 0.30 0.58 -0.16 0.00 0.00 0.00 0.00 44.72 45.44 1tkw s GLY 72 CO 0.17 0.26 0.39 0.00 0.00 0.00 0.00 173.10 173.92 1tkw s ALA 73 N -2.98 -0.89 -0.11 3.20 0.00 -0.35 -1.46 121.76 119.17 1tkw s ALA 73 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1tkw s ALA 73 Cb -0.00 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1tkw s ALA 73 CO -0.06 -0.64 -0.09 0.54 0.00 0.00 0.00 175.76 175.51 1tkw s VAL 74 N -3.81 1.11 -0.21 0.00 0.11 -0.59 -2.04 120.40 114.97 1tkw s VAL 74 Ca 0.03 -0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1tkw s VAL 74 Cb 0.02 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1tkw s VAL 74 CO -0.12 0.38 0.03 -0.22 -3.33 0.00 0.00 175.10 171.84 1tkw s LEU 75 N 1.48 3.41 -0.38 2.54 2.96 0.13 -1.92 118.68 126.90 1tkw s LEU 75 Ca 0.01 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1tkw s LEU 75 Cb -0.13 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.71 1tkw s LEU 75 CO -0.06 0.05 0.21 -0.63 -1.32 0.00 0.00 176.35 174.60 1tkw s ILE 76 N 1.10 4.51 0.27 6.68 1.01 0.15 -1.31 121.20 133.61 1tkw s ILE 76 Ca 0.03 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1tkw s ILE 76 Cb -0.14 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1tkw s ILE 76 CO 0.02 -0.27 0.25 -0.76 0.00 0.00 0.00 174.94 174.19 1tkw s LEU 77 N 1.53 3.84 0.78 2.97 1.43 0.73 -1.62 118.68 128.33 1tkw s LEU 77 Ca 0.02 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1tkw s LEU 77 Cb -0.20 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.69 1tkw s LEU 77 CO 0.06 -0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.48 1tkw s PRO 78 N -3.91 2.01 0.27 1.29 0.04 -1.26 -4.73 135.00 128.71 1tkw s PRO 78 Ca 0.35 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1tkw s PRO 78 Cb -0.08 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1tkw s PRO 78 CO 0.26 -1.87 1.42 -1.21 0.04 0.00 0.00 177.00 175.65 1tkw s GLU 79 N -4.48 4.27 0.00 4.56 2.02 -1.26 -2.61 118.70 121.19 1tkw s GLU 79 Ca 0.66 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.97 1tkw s GLU 79 Cb -0.22 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1tkw s GLU 79 CO 0.52 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1tkw n GLY 80 N 1.82 3.07 3.76 -1.39 0.00 -1.26 -4.90 105.19 106.28 1tkw n GLY 80 Ca 0.05 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 1tkw n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tkw s PHE 81 N -0.40 3.79 0.27 1.61 0.40 -1.07 -4.34 117.98 118.23 1tkw s PHE 81 Ca 0.00 1.82 -0.14 0.00 -0.60 0.00 0.00 56.93 58.00 1tkw s PHE 81 Cb 0.00 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.43 1tkw s PHE 81 CO 0.00 0.00 0.55 -1.83 0.70 0.00 0.00 175.22 174.64 1tkw s GLU 82 N -1.37 1.66 0.20 0.44 -1.05 -1.22 -3.98 118.70 113.38 1tkw s GLU 82 Ca 0.43 -1.23 -0.32 0.00 -0.15 0.00 0.00 54.97 53.70 1tkw s GLU 82 Cb -0.28 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 33.80 1tkw s GLU 82 CO 0.35 -0.71 1.70 -1.17 0.95 0.00 0.00 175.26 176.38 1tkw s LEU 83 N -3.01 4.37 0.32 1.83 2.96 -1.26 -1.03 118.68 122.85 1tkw s LEU 83 Ca 0.20 2.82 -0.29 0.00 -0.22 0.00 0.00 54.13 56.64 1tkw s LEU 83 Cb -0.02 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.96 1tkw s LEU 83 CO 0.09 -0.95 1.47 0.00 -1.32 0.00 0.00 176.35 175.65 1tkw s ALA 84 N 1.26 3.62 0.74 5.97 0.00 0.33 -4.68 121.76 129.00 1tkw s ALA 84 Ca 0.74 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 54.05 1tkw s ALA 84 Cb -0.48 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.09 1tkw s ALA 84 CO 0.32 -0.90 1.11 -1.25 0.00 0.00 0.00 175.76 175.04 1tkw s PRO 85 N -1.23 2.34 0.29 0.00 0.04 -1.26 -4.89 135.00 130.29 1tkw s PRO 85 Ca 0.56 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 1tkw s PRO 85 Cb -0.45 -1.90 0.43 0.00 0.04 0.00 0.00 34.50 32.62 1tkw s PRO 85 CO 0.53 -1.59 1.93 -1.00 0.04 0.00 0.00 177.00 176.91 1tkw h PRO 86 N -0.74 1.04 0.00 0.56 0.13 -1.95 -2.52 132.00 128.52 1tkw h PRO 86 Ca -0.45 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 1tkw h PRO 86 Cb 1.24 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1tkw h PRO 86 CO 0.51 0.73 -0.17 0.38 -0.23 0.00 0.00 178.00 179.22 1tkw h ASP 87 N 1.05 0.00 0.20 1.44 2.03 -2.03 -2.55 116.42 116.55 1tkw h ASP 87 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1tkw h ASP 87 Cb -0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1tkw h ASP 87 CO -0.05 0.17 -0.26 0.54 -1.03 0.00 0.00 179.24 178.61 1tkw n ARG 88 N -3.78 0.93 -3.08 4.15 5.12 -0.96 -4.85 116.66 114.19 1tkw n ARG 88 Ca -0.02 -0.58 -0.40 0.00 -1.93 0.00 0.00 57.85 54.92 1tkw n ARG 88 Cb 0.28 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 1tkw n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1tkw s ILE 89 N -2.46 4.99 0.76 0.55 1.01 -0.96 -4.90 121.20 120.18 1tkw s ILE 89 Ca 0.25 1.24 -0.12 0.00 0.00 0.00 0.00 60.65 62.02 1tkw s ILE 89 Cb 0.19 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1tkw s ILE 89 CO 0.51 0.07 1.13 -0.94 0.00 0.00 0.00 174.94 175.71 1tkw s SER 90 N 1.25 4.29 0.24 3.58 1.04 -1.26 -4.81 113.70 118.04 1tkw s SER 90 Ca 0.30 2.04 -0.00 0.00 0.48 0.00 0.00 55.95 58.76 1tkw s SER 90 Cb -0.16 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.69 1tkw s SER 90 CO 0.10 -2.18 1.64 1.55 0.98 0.00 0.00 173.24 175.33 1tkw h PRO 91 N -0.82 0.55 0.00 4.02 0.13 -1.98 0.12 132.00 134.02 1tkw h PRO 91 Ca -0.45 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1tkw h PRO 91 Cb 1.25 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1tkw h PRO 91 CO 0.50 0.82 -0.00 0.93 -0.23 0.00 0.00 178.00 180.01 1tkw h GLU 92 N 0.46 0.00 0.00 0.86 3.07 -2.02 -2.54 114.58 114.42 1tkw h GLU 92 Ca 0.05 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.56 1tkw h GLU 92 Cb 0.81 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.66 1tkw h GLU 92 CO 0.07 0.00 -2.22 -0.12 -1.40 0.00 0.00 179.01 175.34 1tkw n MET 93 N -3.09 0.67 0.16 2.33 1.56 -0.86 -4.07 117.12 113.82 1tkw n MET 93 Ca -0.01 0.09 0.02 0.00 -0.27 0.00 0.00 57.70 57.53 1tkw n MET 93 Cb 0.22 -1.59 0.37 0.00 2.15 0.00 0.00 33.22 34.37 1tkw n MET 93 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1tkw h LYS 94 N 0.00 0.12 -0.00 2.12 1.63 -0.37 -1.87 116.57 118.20 1tkw h LYS 94 Ca -0.49 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.08 1tkw h LYS 94 Cb 2.16 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.77 1tkw h LYS 94 CO 0.03 0.38 -0.87 1.05 -3.45 0.00 0.00 179.45 176.59 1tkw h GLU 95 N 0.11 0.27 -0.53 1.90 4.11 -1.71 -3.24 114.58 115.48 1tkw h GLU 95 Ca 0.02 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.14 1tkw h GLU 95 Cb 0.52 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1tkw h GLU 95 CO 0.04 0.99 0.22 0.87 0.07 0.00 0.00 179.01 181.19 1tkw h LYS 96 N 0.15 0.79 0.00 1.06 1.57 -1.53 -2.16 116.57 116.45 1tkw h LYS 96 Ca -0.05 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1tkw h LYS 96 Cb 1.50 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1tkw h LYS 96 CO 0.14 0.69 0.00 0.44 -0.57 0.00 0.00 179.45 180.15 1tkw n ILE 97 N -4.53 0.00 0.00 1.86 -5.35 -0.77 -4.74 119.36 105.83 1tkw n ILE 97 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1tkw n ILE 97 Cb 0.15 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1tkw n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tkw n GLY 98 N 0.56 1.97 2.73 3.28 0.00 -0.82 -2.51 105.19 110.40 1tkw n GLY 98 Ca 0.06 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 1tkw n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tkw n ASN 99 N 9.65 0.02 -4.80 1.61 6.94 -1.26 -4.77 115.26 122.65 1tkw n ASN 99 Ca 0.00 -2.30 -0.34 0.00 -0.02 0.00 0.00 54.58 51.91 1tkw n ASN 99 Cb 0.00 0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1tkw n ASN 99 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1tkw s LEU 100 N -3.64 4.04 -0.36 -4.53 1.43 -1.05 -5.04 118.68 109.54 1tkw s LEU 100 Ca 0.21 1.79 -0.04 0.00 -1.03 0.00 0.00 54.13 55.06 1tkw s LEU 100 Cb 0.40 -4.39 0.07 0.00 0.03 0.00 0.00 46.19 42.30 1tkw s LEU 100 CO -0.06 -0.36 0.12 -0.94 0.23 0.00 0.00 176.35 175.34 1tkw s SER 101 N -1.97 5.20 -0.06 2.29 1.04 -1.26 -5.07 113.70 113.87 1tkw s SER 101 Ca 0.60 -1.49 -0.26 0.00 0.48 0.00 0.00 55.95 55.28 1tkw s SER 101 Cb -0.13 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 1tkw s SER 101 CO 0.18 -0.40 0.81 -0.36 0.98 0.00 0.00 173.24 174.45 1tkw s PHE 102 N 1.28 3.57 0.18 5.02 0.08 -1.26 -4.76 117.98 122.10 1tkw s PHE 102 Ca 0.01 1.39 0.08 0.00 0.12 0.00 0.00 56.93 58.53 1tkw s PHE 102 Cb -0.21 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1tkw s PHE 102 CO -0.01 -0.00 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.45 1tkw s GLN 103 N 1.12 2.36 0.34 0.44 -1.52 -0.28 -4.92 119.66 117.21 1tkw s GLN 103 Ca 0.42 -1.15 -0.25 0.00 -1.95 0.00 0.00 55.36 52.43 1tkw s GLN 103 Cb -0.19 -2.32 -0.10 0.00 -0.22 0.00 0.00 33.01 30.18 1tkw s GLN 103 CO 0.20 0.44 0.95 -0.80 -0.25 0.00 0.00 175.29 175.83 1tkw s ASN 104 N -3.01 7.26 0.30 5.90 -0.87 -1.26 -0.70 114.94 122.56 1tkw s ASN 104 Ca 0.28 1.81 -0.00 0.00 -1.57 0.00 0.00 52.86 53.37 1tkw s ASN 104 Cb -0.09 -2.57 0.49 0.00 -0.02 0.00 0.00 41.25 39.06 1tkw s ASN 104 CO 0.18 -0.12 1.92 0.22 -2.57 0.00 0.00 177.10 176.73 1tkw h TYR 105 N 2.94 1.07 -3.36 2.20 3.20 -1.17 -3.43 116.97 118.41 1tkw h TYR 105 Ca -0.47 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.35 1tkw h TYR 105 Cb 1.19 -0.35 -0.15 0.00 1.54 0.00 0.00 36.73 38.95 1tkw h TYR 105 CO 0.62 0.58 -0.20 1.03 -1.64 0.00 0.00 178.16 178.55 1tkw s ARG 106 N -5.93 0.90 0.53 1.82 0.52 -1.26 -4.85 118.95 110.68 1tkw s ARG 106 Ca -0.12 -0.61 0.27 0.00 -0.52 0.00 0.00 55.73 54.76 1tkw s ARG 106 Cb 0.19 0.39 1.50 0.00 0.52 0.00 0.00 34.95 37.56 1tkw s ARG 106 CO 0.80 -0.31 2.11 -1.00 0.02 0.00 0.00 175.30 176.92 1tkw h PRO 107 N 2.89 0.00 0.00 3.54 0.13 -2.00 -2.10 132.00 134.47 1tkw h PRO 107 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1tkw h PRO 107 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1tkw h PRO 107 CO 0.47 0.09 -0.52 -2.95 -0.23 0.00 0.00 178.00 174.87 1tkw h ASN 108 N 0.00 0.00 -2.85 1.44 7.08 -1.98 -3.40 115.58 115.88 1tkw h ASN 108 Ca -0.00 0.00 -0.75 0.00 -3.08 0.00 0.00 56.30 52.47 1tkw h ASN 108 Cb 0.24 0.00 -0.22 0.00 -2.08 0.00 0.00 38.32 36.27 1tkw h ASN 108 CO 0.01 0.14 0.80 -0.54 -2.08 0.00 0.00 177.43 175.76 1tkw s LYS 109 N -3.19 3.92 0.00 4.14 -0.14 -0.79 -4.81 119.74 118.88 1tkw s LYS 109 Ca 0.03 -2.53 0.29 0.00 -1.36 0.00 0.00 55.97 52.40 1tkw s LYS 109 Cb 0.07 -4.80 1.22 0.00 -1.68 0.00 0.00 37.83 32.65 1tkw s LYS 109 CO 0.73 -1.56 1.90 1.63 -0.76 0.00 0.00 175.35 177.29 1tkw n LYS 110 N 4.84 0.15 -0.43 1.68 5.02 -1.26 -3.38 118.16 124.77 1tkw n LYS 110 Ca 0.27 -0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1tkw n LYS 110 Cb 0.44 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.28 1tkw n LYS 110 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1tkw n ASN 111 N -1.41 4.15 -3.98 4.39 6.94 -1.26 -4.27 115.26 119.83 1tkw n ASN 111 Ca 0.09 -2.13 -0.30 0.00 -0.02 0.00 0.00 54.58 52.22 1tkw n ASN 111 Cb 0.31 -0.51 -0.16 0.00 -2.36 0.00 0.00 39.78 37.07 1tkw n ASN 111 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1tkw s ILE 112 N -1.25 1.54 -0.02 1.53 1.01 -1.22 -0.19 121.20 122.60 1tkw s ILE 112 Ca 0.49 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1tkw s ILE 112 Cb 0.27 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1tkw s ILE 112 CO 0.30 0.19 -0.12 -0.76 0.00 0.00 0.00 174.94 174.55 1tkw s LEU 113 N 1.45 2.89 0.08 2.97 1.43 -0.43 -0.98 118.68 126.09 1tkw s LEU 113 Ca -0.00 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1tkw s LEU 113 Cb -0.16 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1tkw s LEU 113 CO -0.08 0.31 -0.18 0.68 0.23 0.00 0.00 176.35 177.30 1tkw s VAL 114 N -0.87 1.45 -0.07 -1.59 -7.23 0.13 0.17 120.40 112.39 1tkw s VAL 114 Ca 0.14 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 1tkw s VAL 114 Cb -0.11 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.53 1tkw s VAL 114 CO 0.04 -0.08 0.34 -0.51 -0.31 0.00 0.00 175.10 174.58 1tkw s ILE 115 N -1.13 0.03 0.00 -0.62 2.07 -0.86 -1.12 121.20 119.57 1tkw s ILE 115 Ca 0.03 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1tkw s ILE 115 Cb -0.10 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.93 1tkw s ILE 115 CO 0.03 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 1tkw n GLY 116 N 2.01 2.50 3.74 1.50 0.00 -1.26 -1.21 105.19 112.46 1tkw n GLY 116 Ca -0.18 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1tkw n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tkw s PRO 117 N -2.39 4.51 0.08 1.61 0.04 -1.26 -4.67 135.00 132.92 1tkw s PRO 117 Ca 0.00 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.94 1tkw s PRO 117 Cb 0.00 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1tkw s PRO 117 CO 0.00 -0.06 -0.16 0.14 0.04 0.00 0.00 177.00 176.95 1tkw s VAL 118 N -0.03 1.32 0.19 -0.36 -7.23 -0.37 -4.92 120.40 109.00 1tkw s VAL 118 Ca 0.52 -1.33 -0.32 0.00 -1.81 0.00 0.00 61.98 59.04 1tkw s VAL 118 Cb -0.32 -1.23 -0.11 0.00 0.56 0.00 0.00 36.38 35.28 1tkw s VAL 118 CO 0.36 -0.13 1.70 -2.16 -0.31 0.00 0.00 175.10 174.56 1tkw s PRO 119 N -1.69 4.14 0.28 4.82 0.04 -1.26 0.57 135.00 141.90 1tkw s PRO 119 Ca 0.01 2.56 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 1tkw s PRO 119 Cb -0.10 -3.12 0.39 0.00 0.04 0.00 0.00 34.50 31.72 1tkw s PRO 119 CO 0.03 -0.73 1.84 0.78 0.04 0.00 0.00 177.00 178.96 1tkw h GLY 120 N 6.90 0.95 0.81 0.56 0.00 -1.67 -1.51 103.07 109.11 1tkw h GLY 120 Ca -0.43 -0.52 0.10 0.00 0.00 0.00 0.00 47.33 46.48 1tkw h GLY 120 CO 0.95 0.49 0.53 1.46 0.00 0.00 0.00 176.54 179.97 1tkw h GLN 121 N 0.86 0.75 0.06 4.80 1.08 -1.92 -3.03 115.11 117.72 1tkw h GLN 121 Ca 0.20 -0.04 -0.36 0.00 -1.45 0.00 0.00 58.65 56.99 1tkw h GLN 121 Cb 0.23 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 1tkw h GLN 121 CO -0.01 0.49 -2.12 1.63 -0.95 0.00 0.00 178.83 177.87 1tkw n LYS 122 N -4.51 0.71 -2.46 1.46 4.76 -1.09 -4.68 118.16 112.34 1tkw n LYS 122 Ca 0.14 0.21 -0.29 0.00 -2.87 0.00 0.00 58.31 55.50 1tkw n LYS 122 Cb 0.32 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1tkw n LYS 122 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1tkw n TYR 123 N -3.29 3.42 0.19 2.13 4.01 -0.59 -4.74 117.16 118.28 1tkw n TYR 123 Ca -0.34 -3.10 0.04 0.00 -0.16 0.00 0.00 57.90 54.34 1tkw n TYR 123 Cb 1.04 -0.25 0.38 0.00 -0.31 0.00 0.00 39.34 40.20 1tkw n TYR 123 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1tkw h SER 124 N 2.68 0.00 -3.27 7.72 0.02 -1.79 -3.40 113.55 115.51 1tkw h SER 124 Ca 0.32 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.60 1tkw h SER 124 Cb 0.78 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.01 1tkw h SER 124 CO 0.92 0.36 -0.82 -1.83 -1.14 0.00 0.00 176.83 174.32 1tkw s GLU 125 N -4.09 3.18 0.02 3.45 -1.05 -1.26 0.10 118.70 119.05 1tkw s GLU 125 Ca -0.02 -0.78 0.08 0.00 -0.15 0.00 0.00 54.97 54.10 1tkw s GLU 125 Cb 0.14 -2.56 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 1tkw s GLU 125 CO 0.71 0.05 -0.22 0.42 0.95 0.00 0.00 175.26 177.17 1tkw s ILE 126 N 0.72 2.49 -0.27 1.83 1.01 -0.15 -4.94 121.20 121.90 1tkw s ILE 126 Ca -0.08 -1.20 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 1tkw s ILE 126 Cb -0.16 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1tkw s ILE 126 CO 0.01 0.41 0.03 -0.89 0.00 0.00 0.00 174.94 174.50 1tkw s THR 127 N -0.82 3.68 -0.31 2.92 2.01 -1.26 -1.05 115.64 120.80 1tkw s THR 127 Ca 0.13 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1tkw s THR 127 Cb -0.10 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1tkw s THR 127 CO 0.03 0.20 0.26 -0.36 -0.69 0.00 0.00 174.62 174.06 1tkw s PHE 128 N 1.48 3.22 -0.47 4.92 0.40 -0.31 -4.77 117.98 122.45 1tkw s PHE 128 Ca 0.03 0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 56.09 1tkw s PHE 128 Cb -0.16 -2.49 0.03 0.00 0.51 0.00 0.00 43.02 40.91 1tkw s PHE 128 CO 0.00 -0.29 1.07 -1.25 0.70 0.00 0.00 175.22 175.45 1tkw s PRO 129 N 1.83 3.66 -0.01 0.24 0.04 -1.26 -1.38 135.00 138.11 1tkw s PRO 129 Ca 0.08 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.58 1tkw s PRO 129 Cb -0.17 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1tkw s PRO 129 CO 0.11 -1.34 -0.06 0.42 0.04 0.00 0.00 177.00 176.18 1tkw s ILE 130 N 4.24 3.75 -0.25 0.56 -1.09 -0.16 -0.52 121.20 127.73 1tkw s ILE 130 Ca 0.44 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 58.08 1tkw s ILE 130 Cb -0.08 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1tkw s ILE 130 CO 0.30 0.43 0.12 -0.22 -1.23 0.00 0.00 174.94 174.33 1tkw s LEU 131 N -1.34 3.73 0.14 2.97 2.96 -0.20 -1.01 118.68 125.93 1tkw s LEU 131 Ca 0.17 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 1tkw s LEU 131 Cb -0.11 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.50 1tkw s LEU 131 CO 0.07 -0.01 1.07 0.00 -1.32 0.00 0.00 176.35 176.16 1tkw s ALA 132 N 1.48 3.33 1.21 5.97 0.00 -0.60 -3.38 121.76 129.77 1tkw s ALA 132 Ca 0.06 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 1tkw s ALA 132 Cb -0.15 -3.34 0.29 0.00 0.00 0.00 0.00 23.12 19.92 1tkw s ALA 132 CO 0.06 -0.18 1.11 -1.25 0.00 0.00 0.00 175.76 175.50 1tkw s PRO 133 N -0.05 -1.29 -0.12 0.00 0.04 -1.26 -0.74 135.00 131.58 1tkw s PRO 133 Ca 0.50 -0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.45 1tkw s PRO 133 Cb -0.27 -1.59 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1tkw s PRO 133 CO 0.33 -3.75 -0.08 0.34 0.04 0.00 0.00 177.00 173.88 1tkw s ASP 134 N -3.91 2.32 0.33 6.66 -1.08 -1.26 -2.51 116.67 117.23 1tkw s ASP 134 Ca 0.71 -0.37 0.02 0.00 -0.52 0.00 0.00 52.55 52.39 1tkw s ASP 134 Cb -0.09 -0.87 0.59 0.00 -1.46 0.00 0.00 42.92 41.08 1tkw s ASP 134 CO 0.56 -0.13 1.93 1.55 0.52 0.00 0.00 175.17 179.60 1tkw h PRO 135 N 8.16 0.72 0.00 4.34 0.13 -1.77 -0.57 132.00 143.01 1tkw h PRO 135 Ca -0.29 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1tkw h PRO 135 Cb 1.13 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1tkw h PRO 135 CO 0.41 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 1tkw h ALA 136 N 1.52 1.00 0.00 -0.56 0.00 -1.96 -2.70 119.26 116.56 1tkw h ALA 136 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1tkw h ALA 136 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1tkw h ALA 136 CO -0.02 0.00 -0.03 2.41 0.00 0.00 0.00 179.25 181.61 1tkw n THR 137 N -2.90 1.79 -3.15 0.00 -1.04 -0.30 -4.92 114.28 103.75 1tkw n THR 137 Ca -0.01 -2.15 0.04 0.00 -2.04 0.00 0.00 64.05 59.88 1tkw n THR 137 Cb 0.15 -0.20 -0.01 0.00 -1.82 0.00 0.00 70.33 68.45 1tkw n THR 137 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1tkw s ASN 138 N -2.78 -1.38 0.04 8.00 3.84 -0.70 -4.92 114.94 117.05 1tkw s ASN 138 Ca 0.30 0.73 0.20 0.00 0.21 0.00 0.00 52.86 54.30 1tkw s ASN 138 Cb 0.27 2.10 0.83 0.00 -0.55 0.00 0.00 41.25 43.90 1tkw s ASN 138 CO 0.03 -0.26 1.63 0.29 -2.79 0.00 0.00 177.10 176.00 1tkw n LYS 139 N 5.43 0.03 0.00 0.43 5.02 -1.26 -3.00 118.16 124.81 1tkw n LYS 139 Ca -0.00 0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.59 1tkw n LYS 139 Cb 0.52 -1.56 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1tkw n LYS 139 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1tkw n ASP 140 N -1.62 2.31 -4.73 4.39 9.92 -1.26 -4.88 116.55 120.67 1tkw n ASP 140 Ca 0.04 -1.65 -0.36 0.00 -0.53 0.00 0.00 54.79 52.30 1tkw n ASP 140 Cb 0.23 0.20 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 1tkw n ASP 140 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1tkw s VAL 141 N -1.88 5.38 0.27 2.53 1.01 -1.16 -5.09 120.40 121.46 1tkw s VAL 141 Ca 0.20 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1tkw s VAL 141 Cb 0.16 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1tkw s VAL 141 CO 0.35 0.43 0.03 -1.00 0.00 0.00 0.00 175.10 174.90 1tkw s HIS 142 N 0.36 1.75 -0.68 5.22 3.76 -1.26 -4.43 115.29 120.01 1tkw s HIS 142 Ca 0.11 -0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 53.81 1tkw s HIS 142 Cb -0.12 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.53 1tkw s HIS 142 CO 0.00 -0.03 1.36 -0.06 -0.85 0.00 0.00 174.74 175.17 1tkw s PHE 143 N -3.37 2.24 0.35 1.40 0.08 -1.26 -4.83 117.98 112.59 1tkw s PHE 143 Ca 0.33 0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 1tkw s PHE 143 Cb 0.07 -4.51 0.02 0.00 -0.57 0.00 0.00 43.02 38.03 1tkw s PHE 143 CO 0.12 -2.03 0.60 -0.51 -0.10 0.00 0.00 175.22 173.30 1tkw s LEU 144 N 6.12 0.50 -0.12 -0.37 1.43 -1.22 -4.94 118.68 120.08 1tkw s LEU 144 Ca 0.43 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.07 1tkw s LEU 144 Cb -0.09 2.08 -0.04 0.00 0.03 0.00 0.00 46.19 48.17 1tkw s LEU 144 CO 0.19 -1.43 0.53 -0.54 0.23 0.00 0.00 176.35 175.32 1tkw s LYS 145 N -2.91 4.33 -0.03 1.70 1.02 -1.26 -1.54 119.74 121.06 1tkw s LYS 145 Ca 0.23 0.53 0.07 0.00 0.02 0.00 0.00 55.97 56.82 1tkw s LYS 145 Cb -0.02 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1tkw s LYS 145 CO 0.15 0.09 -0.25 0.71 -0.92 0.00 0.00 175.35 175.13 1tkw s TYR 146 N 0.83 2.27 0.38 3.18 2.02 0.14 -4.90 117.35 121.27 1tkw s TYR 146 Ca 0.28 -0.49 -0.24 0.00 -0.37 0.00 0.00 57.07 56.25 1tkw s TYR 146 Cb -0.16 -1.47 -0.10 0.00 -0.40 0.00 0.00 41.96 39.84 1tkw s TYR 146 CO 0.12 -0.08 0.97 -1.25 -1.57 0.00 0.00 175.55 173.74 1tkw s PRO 147 N -0.48 4.36 -0.07 -1.71 0.04 -1.26 -0.72 135.00 135.16 1tkw s PRO 147 Ca 0.06 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1tkw s PRO 147 Cb -0.11 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.92 1tkw s PRO 147 CO 0.00 0.07 -0.10 0.42 0.04 0.00 0.00 177.00 177.43 1tkw s ILE 148 N -1.80 0.98 -0.02 0.56 1.01 0.13 -4.23 121.20 117.83 1tkw s ILE 148 Ca 0.56 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1tkw s ILE 148 Cb -0.16 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1tkw s ILE 148 CO 0.21 0.33 -0.21 -0.31 0.00 0.00 0.00 174.94 174.96 1tkw s TYR 149 N 0.93 2.49 0.03 3.97 2.02 -0.64 -0.98 117.35 125.16 1tkw s TYR 149 Ca -0.10 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 1tkw s TYR 149 Cb -0.15 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1tkw s TYR 149 CO 0.01 0.09 -0.11 0.54 -1.57 0.00 0.00 175.55 174.51 1tkw s VAL 150 N -0.71 0.84 -0.10 0.71 0.11 -0.76 0.30 120.40 120.80 1tkw s VAL 150 Ca 0.11 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1tkw s VAL 150 Cb -0.10 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1tkw s VAL 150 CO 0.01 -0.03 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.74 1tkw s GLY 151 N -0.95 1.10 -0.05 6.54 0.00 -0.81 -1.81 107.32 111.34 1tkw s GLY 151 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1tkw s GLY 151 CO 0.01 0.01 -0.13 -0.32 0.00 0.00 0.00 173.10 172.67 1tkw s GLY 152 N 0.70 0.77 0.02 0.20 0.00 -0.28 -1.54 107.32 107.19 1tkw s GLY 152 Ca -0.12 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1tkw s GLY 152 CO 0.03 -0.09 -0.10 0.21 0.00 0.00 0.00 173.10 173.14 1tkw s ASN 153 N 0.33 1.20 -0.05 1.64 3.84 -0.54 -1.63 114.94 119.73 1tkw s ASN 153 Ca -0.08 -0.34 -0.00 0.00 0.21 0.00 0.00 52.86 52.65 1tkw s ASN 153 Cb -0.12 -0.08 0.03 0.00 -0.55 0.00 0.00 41.25 40.52 1tkw s ASN 153 CO 0.02 0.02 -0.01 0.00 -2.79 0.00 0.00 177.10 174.34 1tkw s ARG 154 N -0.82 0.51 0.00 0.43 3.03 -1.05 -1.47 118.95 119.59 1tkw s ARG 154 Ca -0.00 0.06 0.00 0.00 2.03 0.00 0.00 55.73 57.82 1tkw s ARG 154 Cb -0.06 -0.72 0.00 0.00 -1.03 0.00 0.00 34.95 33.14 1tkw s ARG 154 CO 0.00 -0.18 0.00 0.41 -1.13 0.00 0.00 175.30 174.40 1tkw n GLY 155 N 4.48 2.55 3.76 3.88 0.00 -0.96 -1.70 105.19 117.19 1tkw n GLY 155 Ca -0.19 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1tkw n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkw s ARG 156 N -3.07 4.65 1.04 1.61 0.52 -1.26 -4.86 118.95 117.58 1tkw s ARG 156 Ca 0.00 1.68 -0.14 0.00 -0.52 0.00 0.00 55.73 56.75 1tkw s ARG 156 Cb 0.00 -3.14 0.21 0.00 0.52 0.00 0.00 34.95 32.54 1tkw s ARG 156 CO 0.00 0.26 1.12 0.20 0.02 0.00 0.00 175.30 176.90 1tkw s GLY 157 N -1.05 1.58 -0.19 -3.53 0.00 -1.26 -4.93 107.32 97.94 1tkw s GLY 157 Ca 0.45 -0.61 0.17 0.00 0.00 0.00 0.00 44.72 44.72 1tkw s GLY 157 CO 0.37 0.08 0.09 -1.06 0.00 0.00 0.00 173.10 172.58 1tkw n GLN 158 N -4.25 0.68 -4.93 2.90 3.00 -0.39 -4.69 117.38 109.70 1tkw n GLN 158 Ca 0.08 0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.78 1tkw n GLN 158 Cb 0.58 -1.54 -0.14 0.00 0.00 0.00 0.00 30.24 29.14 1tkw n GLN 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1tkw s ILE 159 N -2.50 2.43 0.60 5.09 1.01 -1.24 0.09 121.20 126.68 1tkw s ILE 159 Ca -0.11 -1.18 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 1tkw s ILE 159 Cb 0.06 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.64 1tkw s ILE 159 CO 0.82 0.44 0.85 -0.31 0.00 0.00 0.00 174.94 176.73 1tkw s TYR 160 N -0.78 2.65 -0.20 3.97 2.02 0.10 -4.79 117.35 120.32 1tkw s TYR 160 Ca 0.12 0.01 0.23 0.00 -0.37 0.00 0.00 57.07 57.06 1tkw s TYR 160 Cb -0.10 -2.86 1.19 0.00 -0.40 0.00 0.00 41.96 39.79 1tkw s TYR 160 CO 0.02 -1.09 1.69 -0.35 -1.57 0.00 0.00 175.55 174.25 1tkw n PRO 161 N -2.51 0.15 0.00 -1.71 -0.04 -1.26 -1.84 135.00 127.79 1tkw n PRO 161 Ca 0.09 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 1tkw n PRO 161 Cb 0.60 -1.97 0.19 0.00 -0.04 0.00 0.00 33.50 32.28 1tkw n PRO 161 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1tkw n ASP 162 N -2.28 1.67 0.00 3.54 5.75 -1.26 -4.93 116.55 119.03 1tkw n ASP 162 Ca -0.01 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1tkw n ASP 162 Cb 0.06 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1tkw n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tkw n GLY 163 N 1.37 0.23 3.77 6.12 0.00 -0.77 -5.07 105.19 110.83 1tkw n GLY 163 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1tkw n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tkw s SER 164 N -2.00 6.66 0.40 1.61 0.01 -1.26 -4.71 113.70 114.41 1tkw s SER 164 Ca 0.00 2.42 -0.16 0.00 1.31 0.00 0.00 55.95 59.52 1tkw s SER 164 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 1tkw s SER 164 CO 0.00 -0.59 0.84 -0.54 0.41 0.00 0.00 173.24 173.37 1tkw s LYS 165 N -2.08 4.00 0.63 12.44 1.02 -1.26 -0.72 119.74 133.76 1tkw s LYS 165 Ca 0.54 0.79 0.04 0.00 0.02 0.00 0.00 55.97 57.36 1tkw s LYS 165 Cb -0.33 -2.30 0.10 0.00 -0.52 0.00 0.00 37.83 34.77 1tkw s LYS 165 CO 0.42 -0.01 0.87 -1.54 -0.92 0.00 0.00 175.35 174.16 1tkw s SER 166 N -2.60 4.81 -0.05 2.83 1.04 0.11 -4.89 113.70 114.96 1tkw s SER 166 Ca 0.56 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.49 1tkw s SER 166 Cb -0.10 0.02 0.24 0.00 0.10 0.00 0.00 66.02 66.28 1tkw s SER 166 CO 0.22 -1.52 0.97 -0.46 0.98 0.00 0.00 173.24 173.43 1tkw n ASN 167 N -2.49 2.06 -2.39 7.02 6.94 -1.26 -3.80 115.26 121.34 1tkw n ASN 167 Ca 0.14 -2.19 -0.30 0.00 -0.02 0.00 0.00 54.58 52.21 1tkw n ASN 167 Cb 0.61 -0.43 0.03 0.00 -2.36 0.00 0.00 39.78 37.63 1tkw n ASN 167 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1tkw n ASN 168 N 0.18 5.85 -3.73 0.53 4.05 -1.26 -4.83 115.26 116.06 1tkw n ASN 168 Ca 0.08 -3.76 -0.10 0.00 0.45 0.00 0.00 54.58 51.25 1tkw n ASN 168 Cb 0.43 -0.63 -0.04 0.00 1.23 0.00 0.00 39.78 40.77 1tkw n ASN 168 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1tkw s THR 169 N -5.04 0.00 0.31 -0.44 -1.32 -1.25 -4.42 115.64 103.49 1tkw s THR 169 Ca 0.53 -1.33 -0.27 0.00 -1.21 0.00 0.00 61.69 59.41 1tkw s THR 169 Cb 0.43 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 69.00 1tkw s THR 169 CO -0.13 0.00 1.01 -0.69 -2.21 0.00 0.00 174.62 172.60 1tkw s VAL 170 N -3.64 3.86 -0.24 5.08 1.01 -1.26 -4.62 120.40 120.59 1tkw s VAL 170 Ca 0.21 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.77 1tkw s VAL 170 Cb -0.02 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1tkw s VAL 170 CO 0.11 0.24 0.09 -0.31 0.00 0.00 0.00 175.10 175.23 1tkw s TYR 171 N -1.41 3.14 0.11 5.22 1.51 -1.26 -5.03 117.35 119.63 1tkw s TYR 171 Ca 0.49 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1tkw s TYR 171 Cb -0.25 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1tkw s TYR 171 CO 0.31 -0.22 0.17 -0.80 -1.11 0.00 0.00 175.55 173.90 1tkw s ASN 172 N 1.39 5.91 0.17 2.29 0.01 -1.26 -0.95 114.94 122.50 1tkw s ASN 172 Ca 0.06 0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.96 1tkw s ASN 172 Cb -0.15 -1.69 -0.09 0.00 0.41 0.00 0.00 41.25 39.73 1tkw s ASN 172 CO 0.04 0.12 1.46 0.00 -1.51 0.00 0.00 177.10 177.22 1tkw s ALA 173 N -1.59 3.67 -1.60 0.60 0.00 -0.76 -4.84 121.76 117.24 1tkw s ALA 173 Ca 0.32 1.26 0.29 0.00 0.00 0.00 0.00 51.96 53.84 1tkw s ALA 173 Cb -0.12 -3.57 1.33 0.00 0.00 0.00 0.00 23.12 20.77 1tkw s ALA 173 CO 0.25 -0.70 1.93 0.25 0.00 0.00 0.00 175.76 177.49 1tkw n THR 174 N 3.46 0.00 -3.71 0.00 -2.24 -1.26 -0.17 114.28 110.36 1tkw n THR 174 Ca 0.11 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1tkw n THR 174 Cb 0.40 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1tkw n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tkw s ALA 175 N -2.48 -0.95 0.71 6.98 0.00 -1.26 -4.84 121.76 119.92 1tkw s ALA 175 Ca 0.30 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 1tkw s ALA 175 Cb 0.20 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.51 1tkw s ALA 175 CO 0.47 -0.32 1.02 0.20 0.00 0.00 0.00 175.76 177.13 1tkw s GLY 176 N -1.48 1.69 0.00 0.00 0.00 -1.26 -4.39 107.32 101.88 1tkw s GLY 176 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1tkw s GLY 176 CO 0.03 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.21 1tkw n GLY 177 N -2.93 0.87 3.24 0.20 0.00 0.40 -4.06 105.19 102.92 1tkw n GLY 177 Ca 0.08 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1tkw n GLY 177 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tkw s ILE 178 N -3.24 1.91 -0.26 -0.61 2.07 -1.13 0.38 121.20 120.32 1tkw s ILE 178 Ca 0.00 -0.99 -0.29 0.00 -1.41 0.00 0.00 60.65 57.95 1tkw s ILE 178 Cb 0.00 -1.62 -0.01 0.00 0.13 0.00 0.00 42.46 40.97 1tkw s ILE 178 CO 0.00 0.54 1.33 -0.63 -1.91 0.00 0.00 174.94 174.27 1tkw s ILE 179 N -0.17 4.12 -0.30 2.00 1.01 -0.40 -1.39 121.20 126.06 1tkw s ILE 179 Ca -0.02 1.28 0.23 0.00 0.00 0.00 0.00 60.65 62.14 1tkw s ILE 179 Cb -0.13 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1tkw s ILE 179 CO 0.03 -0.37 0.94 -1.54 0.00 0.00 0.00 174.94 174.00 1tkw n SER 180 N 7.49 0.62 -3.57 3.58 3.41 -0.49 0.02 113.62 124.68 1tkw n SER 180 Ca 0.15 0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.74 1tkw n SER 180 Cb 0.46 0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 65.16 1tkw n SER 180 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1tkw s LYS 181 N -3.35 0.91 -0.31 4.33 2.20 -1.23 -4.84 119.74 117.46 1tkw s LYS 181 Ca -0.01 0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1tkw s LYS 181 Cb 0.12 0.44 0.10 0.00 -1.51 0.00 0.00 37.83 36.97 1tkw s LYS 181 CO 0.81 -0.22 0.09 0.42 -0.36 0.00 0.00 175.35 176.09 1tkw s ILE 182 N -0.54 0.95 -0.47 5.43 1.01 -1.26 -0.99 121.20 125.32 1tkw s ILE 182 Ca -0.06 -1.43 -0.23 0.00 0.00 0.00 0.00 60.65 58.93 1tkw s ILE 182 Cb -0.02 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1tkw s ILE 182 CO 0.05 -0.66 0.83 -0.22 0.00 0.00 0.00 174.94 174.94 1tkw s LEU 183 N 1.58 4.22 -0.15 2.97 2.96 -0.09 -4.91 118.68 125.26 1tkw s LEU 183 Ca 0.10 -0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 1tkw s LEU 183 Cb -0.17 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 1tkw s LEU 183 CO -0.24 -0.99 1.28 -0.13 -1.32 0.00 0.00 176.35 174.95 1tkw s ARG 184 N 3.45 4.24 0.50 1.98 0.52 -1.26 -1.52 118.95 126.85 1tkw s ARG 184 Ca 0.30 1.69 -0.19 0.00 -0.52 0.00 0.00 55.73 57.01 1tkw s ARG 184 Cb -0.12 -3.76 -0.08 0.00 0.52 0.00 0.00 34.95 31.50 1tkw s ARG 184 CO 0.22 -0.70 1.02 0.15 0.02 0.00 0.00 175.30 176.01 1tkw s LYS 185 N 3.46 3.83 0.15 3.54 1.02 -0.39 -4.98 119.74 126.38 1tkw s LYS 185 Ca 0.56 1.23 -0.28 0.00 0.02 0.00 0.00 55.97 57.50 1tkw s LYS 185 Cb -0.22 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1tkw s LYS 185 CO 0.16 -0.39 1.57 1.49 -0.92 0.00 0.00 175.35 177.26 1tkw h GLU 186 N 1.37 -0.30 -0.68 1.68 4.81 -1.94 -2.56 114.58 116.96 1tkw h GLU 186 Ca -0.49 0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 58.41 1tkw h GLU 186 Cb 1.21 0.07 -0.21 0.00 0.63 0.00 0.00 28.75 30.44 1tkw h GLU 186 CO 0.59 -0.20 0.28 1.63 -0.73 0.00 0.00 179.01 180.58 1tkw n LYS 187 N -5.40 2.06 0.00 1.92 4.01 -1.26 -5.02 118.16 114.47 1tkw n LYS 187 Ca -0.01 -3.12 0.00 0.00 -0.51 0.00 0.00 58.31 54.67 1tkw n LYS 187 Cb 0.35 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 32.86 1tkw n LYS 187 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1tkw n GLY 188 N -1.13 2.69 0.00 0.72 0.00 -0.96 -4.98 105.19 101.52 1tkw n GLY 188 Ca 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1tkw n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkw n GLY 189 N 0.73 1.18 3.13 -0.02 0.00 -1.26 -4.58 105.19 104.38 1tkw n GLY 189 Ca 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1tkw n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tkw s TYR 190 N -1.81 0.59 -0.22 1.61 2.02 0.67 -1.26 117.35 118.95 1tkw s TYR 190 Ca 0.00 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1tkw s TYR 190 Cb 0.00 -0.37 0.06 0.00 -0.40 0.00 0.00 41.96 41.25 1tkw s TYR 190 CO 0.00 -0.46 -0.05 -1.21 -1.57 0.00 0.00 175.55 172.26 1tkw s GLU 191 N -3.96 1.57 -0.22 -0.62 2.02 -0.57 -0.97 118.70 115.95 1tkw s GLU 191 Ca 0.13 -0.91 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 1tkw s GLU 191 Cb 0.07 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 1tkw s GLU 191 CO -0.06 -0.58 0.04 0.42 0.02 0.00 0.00 175.26 175.10 1tkw s ILE 192 N 1.44 4.17 -0.24 -1.63 1.01 -0.12 -0.91 121.20 124.93 1tkw s ILE 192 Ca -0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1tkw s ILE 192 Cb -0.18 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1tkw s ILE 192 CO -0.07 0.39 0.34 -0.89 0.00 0.00 0.00 174.94 174.71 1tkw s THR 193 N 1.24 5.22 -0.16 2.92 2.01 -0.16 -0.82 115.64 125.89 1tkw s THR 193 Ca 0.04 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1tkw s THR 193 Cb -0.15 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1tkw s THR 193 CO 0.02 0.23 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.47 1tkw s ILE 194 N 1.59 3.34 -0.55 1.82 1.01 0.63 -1.39 121.20 127.64 1tkw s ILE 194 Ca 0.15 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 1tkw s ILE 194 Cb -0.15 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 39.99 1tkw s ILE 194 CO 0.08 0.50 0.56 -0.69 0.00 0.00 0.00 174.94 175.39 1tkw s VAL 195 N 0.58 5.08 -0.98 2.92 1.01 -0.49 -1.65 120.40 126.87 1tkw s VAL 195 Ca -0.06 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.40 1tkw s VAL 195 Cb -0.15 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1tkw s VAL 195 CO 0.03 -0.94 1.79 -0.62 0.00 0.00 0.00 175.10 175.36 1tkw s ASP 196 N 3.54 5.61 0.46 3.32 -1.08 0.16 -2.84 116.67 125.83 1tkw s ASP 196 Ca 0.06 -1.09 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 1tkw s ASP 196 Cb -0.28 -2.57 1.03 0.00 -1.46 0.00 0.00 42.92 39.65 1tkw s ASP 196 CO 0.04 -2.34 2.09 0.00 0.52 0.00 0.00 175.17 175.48 1tkw h ALA 197 N 10.51 1.82 -0.27 3.66 0.00 -1.83 0.29 119.26 133.44 1tkw h ALA 197 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1tkw h ALA 197 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1tkw h ALA 197 CO 1.29 0.16 -0.26 0.77 0.00 0.00 0.00 179.25 181.21 1tkw h SER 198 N 0.31 0.54 -0.19 0.00 0.02 -1.93 -3.13 113.55 109.18 1tkw h SER 198 Ca 0.08 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1tkw h SER 198 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1tkw h SER 198 CO -0.02 0.80 0.00 0.59 -1.14 0.00 0.00 176.83 177.06 1tkw n ASN 199 N -4.11 2.72 -3.86 3.07 3.02 -0.95 -4.98 115.26 110.18 1tkw n ASN 199 Ca -0.00 -1.80 -0.24 0.00 -0.03 0.00 0.00 54.58 52.51 1tkw n ASN 199 Cb 0.42 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1tkw n ASN 199 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tkw n GLU 200 N 0.96 -3.70 -4.30 3.52 1.02 0.96 -4.96 120.64 114.14 1tkw n GLU 200 Ca 0.12 0.47 -0.18 0.00 -0.02 0.00 0.00 57.16 57.56 1tkw n GLU 200 Cb 0.45 -4.71 -0.14 0.00 -0.02 0.00 0.00 31.44 27.02 1tkw n GLU 200 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1tkw s ARG 201 N -6.35 0.68 -0.15 3.49 3.52 -0.92 -5.00 118.95 114.22 1tkw s ARG 201 Ca 0.02 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1tkw s ARG 201 Cb -0.01 -0.64 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 1tkw s ARG 201 CO 0.86 0.17 -0.09 -1.14 -0.81 0.00 0.00 175.30 174.30 1tkw s GLN 202 N -0.40 3.50 0.06 5.12 0.74 -1.26 0.40 119.66 127.81 1tkw s GLN 202 Ca 0.02 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 54.87 1tkw s GLN 202 Cb -0.04 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 1tkw s GLN 202 CO -0.00 0.20 -0.15 0.14 -0.55 0.00 0.00 175.29 174.93 1tkw s VAL 203 N 0.43 1.17 -0.25 1.34 -7.23 -0.66 -4.98 120.40 110.22 1tkw s VAL 203 Ca -0.07 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 1tkw s VAL 203 Cb -0.15 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.76 1tkw s VAL 203 CO 0.04 -0.08 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.00 1tkw s ILE 204 N -1.03 2.15 -0.14 -0.62 1.01 -1.26 -0.27 121.20 121.04 1tkw s ILE 204 Ca 0.01 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 58.91 1tkw s ILE 204 Cb -0.09 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1tkw s ILE 204 CO 0.02 0.03 0.48 -1.81 0.00 0.00 0.00 174.94 173.66 1tkw s ASP 205 N 1.12 6.65 -0.15 3.58 1.01 0.00 -4.86 116.67 124.02 1tkw s ASP 205 Ca -0.08 0.77 -0.09 0.00 0.71 0.00 0.00 52.55 53.87 1tkw s ASP 205 Cb -0.19 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 1tkw s ASP 205 CO -0.06 -0.04 0.15 -0.63 0.21 0.00 0.00 175.17 174.80 1tkw s ILE 206 N 0.88 5.44 -0.10 0.77 1.01 -1.26 -0.94 121.20 127.00 1tkw s ILE 206 Ca 0.25 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1tkw s ILE 206 Cb -0.15 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1tkw s ILE 206 CO 0.10 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.75 1tkw s ILE 207 N -0.34 2.57 0.79 2.92 1.01 -0.14 -4.97 121.20 123.04 1tkw s ILE 207 Ca 0.12 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 1tkw s ILE 207 Cb -0.12 -2.02 0.07 0.00 0.01 0.00 0.00 42.46 40.40 1tkw s ILE 207 CO 0.02 0.55 1.11 -2.16 0.00 0.00 0.00 174.94 174.46 1tkw s PRO 208 N 0.10 2.12 0.60 2.79 0.04 -1.26 -0.24 135.00 139.15 1tkw s PRO 208 Ca -0.09 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 1tkw s PRO 208 Cb -0.15 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1tkw s PRO 208 CO 0.06 -1.57 1.07 -0.98 0.04 0.00 0.00 177.00 175.61 1tkw s ARG 209 N -5.23 3.22 0.00 4.56 1.70 -1.26 -3.76 118.95 118.18 1tkw s ARG 209 Ca 0.61 1.25 0.00 0.00 -0.47 0.00 0.00 55.73 57.12 1tkw s ARG 209 Cb -0.14 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 1tkw s ARG 209 CO 0.53 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1tkw n GLY 210 N -0.85 0.43 3.46 3.88 0.00 -1.26 -4.29 105.19 106.55 1tkw n GLY 210 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1tkw n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tkw s LEU 211 N 0.00 2.63 -0.08 0.99 1.43 -1.25 -4.96 118.68 117.44 1tkw s LEU 211 Ca 0.00 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1tkw s LEU 211 Cb 0.00 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1tkw s LEU 211 CO 0.00 0.30 -0.05 -1.83 0.23 0.00 0.00 176.35 174.99 1tkw s GLU 212 N -1.11 2.87 0.52 1.70 -1.05 -1.26 -4.94 118.70 115.43 1tkw s GLU 212 Ca 0.13 -0.52 -0.19 0.00 -0.15 0.00 0.00 54.97 54.24 1tkw s GLU 212 Cb -0.11 -2.65 -0.07 0.00 -0.44 0.00 0.00 34.13 30.86 1tkw s GLU 212 CO 0.03 0.63 1.06 -0.51 0.95 0.00 0.00 175.26 177.42 1tkw s LEU 213 N -0.72 3.73 0.00 1.83 1.43 -1.26 -2.20 118.68 121.49 1tkw s LEU 213 Ca 0.11 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.24 1tkw s LEU 213 Cb -0.11 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.73 1tkw s LEU 213 CO 0.02 -0.95 1.03 0.18 0.23 0.00 0.00 176.35 176.86 1tkw n LEU 214 N -1.31 2.35 -4.45 1.79 4.77 0.29 -4.83 117.00 115.60 1tkw n LEU 214 Ca 0.09 -1.56 -0.25 0.00 -0.03 0.00 0.00 56.01 54.26 1tkw n LEU 214 Cb 0.52 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1tkw n LEU 214 CO 0.42 0.54 -0.50 0.68 -1.33 0.00 0.00 177.39 177.20 1tkw s VAL 215 N -0.91 2.44 0.21 4.08 -7.23 -1.25 -5.01 120.40 112.73 1tkw s VAL 215 Ca 0.16 -2.21 0.10 0.00 -1.81 0.00 0.00 61.98 58.23 1tkw s VAL 215 Cb 0.09 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 1tkw s VAL 215 CO 0.13 -0.25 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.03 1tkw s SER 216 N -3.08 3.14 0.45 4.85 0.01 -1.26 -5.10 113.70 112.72 1tkw s SER 216 Ca 0.25 -0.93 -0.25 0.00 1.31 0.00 0.00 55.95 56.33 1tkw s SER 216 Cb -0.07 -0.22 -0.08 0.00 0.21 0.00 0.00 66.02 65.86 1tkw s SER 216 CO 0.12 0.01 1.41 -1.61 0.41 0.00 0.00 173.24 173.58 1tkw s GLU 217 N -3.09 3.67 0.00 12.44 2.02 -1.26 -2.24 118.70 130.24 1tkw s GLU 217 Ca 0.22 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.59 1tkw s GLU 217 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1tkw s GLU 217 CO 0.10 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1tkw n GLY 218 N 0.60 1.32 3.82 -1.39 0.00 0.10 -4.98 105.19 104.65 1tkw n GLY 218 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1tkw n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tkw s GLU 219 N -0.34 4.21 -0.18 1.61 2.12 -0.95 -4.76 118.70 120.41 1tkw s GLU 219 Ca 0.00 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 55.90 1tkw s GLU 219 Cb 0.00 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 1tkw s GLU 219 CO 0.00 0.44 0.72 -1.12 -0.54 0.00 0.00 175.26 174.76 1tkw s SER 220 N -1.60 6.83 0.09 -1.70 0.01 -1.26 -1.28 113.70 114.78 1tkw s SER 220 Ca 0.41 1.01 0.07 0.00 1.31 0.00 0.00 55.95 58.74 1tkw s SER 220 Cb -0.17 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1tkw s SER 220 CO 0.21 -0.32 -0.11 -0.51 0.41 0.00 0.00 173.24 172.92 1tkw s ILE 221 N 1.94 3.31 0.27 1.44 1.10 0.16 -4.96 121.20 124.46 1tkw s ILE 221 Ca 0.34 -1.24 0.06 0.00 -0.51 0.00 0.00 60.65 59.30 1tkw s ILE 221 Cb -0.16 -2.53 -0.03 0.00 0.15 0.00 0.00 42.46 39.89 1tkw s ILE 221 CO 0.12 0.15 0.32 -0.54 -2.11 0.00 0.00 174.94 172.88 1tkw s LYS 222 N -2.08 3.16 0.35 3.50 1.02 -1.26 -0.45 119.74 123.98 1tkw s LYS 222 Ca 0.20 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 1tkw s LYS 222 Cb -0.11 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.35 1tkw s LYS 222 CO 0.12 0.33 1.50 -1.17 -0.92 0.00 0.00 175.35 175.22 1tkw s LEU 223 N -3.97 4.33 -0.62 3.17 2.96 -1.26 -1.61 118.68 121.69 1tkw s LEU 223 Ca 0.36 3.01 0.00 0.00 -0.22 0.00 0.00 54.13 57.28 1tkw s LEU 223 Cb -0.08 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1tkw s LEU 223 CO 0.28 -0.86 0.00 0.47 -1.32 0.00 0.00 176.35 174.91 1tkw n ASP 224 N 0.89 -4.91 -4.69 3.68 9.92 0.76 -4.94 116.55 117.27 1tkw n ASP 224 Ca 0.03 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 54.01 1tkw n ASP 224 Cb 0.39 -2.92 -0.03 0.00 -0.64 0.00 0.00 41.12 37.92 1tkw n ASP 224 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1tkw s GLN 225 N -2.11 4.36 0.02 -1.24 0.74 -0.63 -4.56 119.66 116.24 1tkw s GLN 225 Ca 0.00 1.61 -0.34 0.00 0.05 0.00 0.00 55.36 56.68 1tkw s GLN 225 Cb 0.00 -3.56 -0.12 0.00 1.10 0.00 0.00 33.01 30.43 1tkw s GLN 225 CO 0.00 -0.43 1.77 -0.35 -0.55 0.00 0.00 175.29 175.73 1tkw n PRO 226 N 5.22 2.25 0.00 1.67 -0.04 -1.26 -1.83 135.00 141.01 1tkw n PRO 226 Ca 0.11 0.82 0.10 0.00 -0.04 0.00 0.00 63.50 64.49 1tkw n PRO 226 Cb 0.47 -2.65 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 1tkw n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tkw n LEU 227 N 5.44 0.80 -4.27 1.53 4.77 -0.12 -4.86 117.00 120.28 1tkw n LEU 227 Ca 0.20 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 1tkw n LEU 227 Cb 0.30 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1tkw n LEU 227 CO 0.69 0.19 -0.28 0.42 -1.33 0.00 0.00 177.39 177.08 1tkw s THR 228 N -3.08 0.49 0.77 -5.08 -4.23 -1.25 -0.55 115.64 102.71 1tkw s THR 228 Ca 0.06 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 1tkw s THR 228 Cb 0.16 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.60 1tkw s THR 228 CO 0.85 -0.16 1.08 -0.44 -0.54 0.00 0.00 174.62 175.42 1tkw s SER 229 N -3.24 4.67 -0.50 3.99 0.01 -0.93 -4.65 113.70 113.05 1tkw s SER 229 Ca 0.33 1.57 -0.21 0.00 1.31 0.00 0.00 55.95 58.96 1tkw s SER 229 Cb 0.07 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 64.00 1tkw s SER 229 CO 0.10 -1.89 0.73 0.21 0.41 0.00 0.00 173.24 172.80 1tkw s ASN 230 N -3.67 6.29 -0.03 2.44 3.84 -1.26 -4.59 114.94 117.96 1tkw s ASN 230 Ca 0.60 -0.58 0.06 0.00 0.21 0.00 0.00 52.86 53.15 1tkw s ASN 230 Cb -0.15 -2.34 0.22 0.00 -0.55 0.00 0.00 41.25 38.42 1tkw s ASN 230 CO 0.55 -0.97 1.06 -0.81 -2.79 0.00 0.00 177.10 174.15 1tkw n PRO 231 N 6.60 1.76 -3.15 0.43 -0.04 -1.26 -4.86 135.00 134.48 1tkw n PRO 231 Ca -0.03 -0.86 -0.40 0.00 -0.04 0.00 0.00 63.50 62.17 1tkw n PRO 231 Cb 0.47 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 1tkw n PRO 231 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tkw s ASN 232 N -0.73 6.52 0.00 3.54 2.47 -1.26 -4.35 114.94 121.13 1tkw s ASN 232 Ca 0.16 0.60 0.10 0.00 0.42 0.00 0.00 52.86 54.14 1tkw s ASN 232 Cb 0.10 -2.32 0.14 0.00 -1.45 0.00 0.00 41.25 37.72 1tkw s ASN 232 CO 0.08 -0.37 0.94 1.33 -3.72 0.00 0.00 177.10 175.37 1tkw n VAL 233 N 5.22 0.31 -2.48 -5.21 0.24 -1.26 -5.02 118.33 110.13 1tkw n VAL 233 Ca -0.02 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1tkw n VAL 233 Cb 0.49 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1tkw n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tkw n GLY 234 N 0.51 2.74 0.00 7.63 0.00 -1.26 -5.01 105.19 109.80 1tkw n GLY 234 Ca 0.07 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1tkw n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkw n GLY 235 N 5.00 1.50 3.44 -0.02 0.00 -0.69 -4.70 105.19 109.73 1tkw n GLY 235 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1tkw n GLY 235 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tkw s PHE 236 N -2.00 2.48 0.10 1.61 5.36 0.30 -2.52 117.98 123.32 1tkw s PHE 236 Ca 0.00 -0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 55.58 1tkw s PHE 236 Cb 0.00 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.30 1tkw s PHE 236 CO 0.00 0.29 0.22 0.20 -1.46 0.00 0.00 175.22 174.48 1tkw s GLY 237 N -1.74 0.12 0.05 13.12 0.00 -0.65 -1.55 107.32 116.68 1tkw s GLY 237 Ca 0.15 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1tkw s GLY 237 CO 0.07 -0.76 -0.05 -0.86 0.00 0.00 0.00 173.10 171.49 1tkw s GLN 238 N -3.87 0.55 0.30 2.90 -2.07 -1.26 -1.12 119.66 115.08 1tkw s GLN 238 Ca 0.07 -0.97 -0.07 0.00 -1.82 0.00 0.00 55.36 52.57 1tkw s GLN 238 Cb 0.04 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1tkw s GLN 238 CO -0.09 -0.04 0.49 0.20 -1.32 0.00 0.00 175.29 174.52 1tkw s GLY 239 N -2.23 1.03 0.07 2.60 0.00 -0.75 -4.73 107.32 103.31 1tkw s GLY 239 Ca -0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1tkw s GLY 239 CO -0.04 -0.82 0.18 0.51 0.00 0.00 0.00 173.10 172.92 1tkw s ASP 240 N -3.14 0.12 0.25 1.64 -4.77 -1.26 -1.82 116.67 107.69 1tkw s ASP 240 Ca 0.27 -0.58 0.01 0.00 -3.30 0.00 0.00 52.55 48.95 1tkw s ASP 240 Cb -0.01 0.31 -0.04 0.00 -1.09 0.00 0.00 42.92 42.09 1tkw s ASP 240 CO 0.15 -0.66 0.13 0.00 0.70 0.00 0.00 175.17 175.49 1tkw s ALA 241 N -3.40 1.56 -0.04 2.11 0.00 -0.15 -4.96 121.76 116.87 1tkw s ALA 241 Ca 0.01 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.21 1tkw s ALA 241 Cb 0.03 1.21 0.01 0.00 0.00 0.00 0.00 23.12 24.37 1tkw s ALA 241 CO -0.08 -0.52 -0.12 -2.00 0.00 0.00 0.00 175.76 173.03 1tkw s GLU 242 N -4.02 1.37 0.02 0.00 2.12 -1.26 -0.70 118.70 116.23 1tkw s GLU 242 Ca 0.38 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.38 1tkw s GLU 242 Cb 0.07 -1.21 -0.02 0.00 0.26 0.00 0.00 34.13 33.23 1tkw s GLU 242 CO 0.14 0.11 -0.21 -1.50 -0.54 0.00 0.00 175.26 173.26 1tkw s ILE 243 N 0.33 1.70 -0.38 -3.70 2.07 0.10 -4.85 121.20 116.46 1tkw s ILE 243 Ca -0.07 -1.09 -0.11 0.00 -1.41 0.00 0.00 60.65 57.97 1tkw s ILE 243 Cb -0.12 -1.45 0.03 0.00 0.13 0.00 0.00 42.46 41.05 1tkw s ILE 243 CO 0.02 0.32 0.22 -0.69 -1.91 0.00 0.00 174.94 172.90 1tkw s VAL 244 N -0.67 4.67 -0.28 4.00 1.01 -0.82 0.27 120.40 128.58 1tkw s VAL 244 Ca 0.08 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1tkw s VAL 244 Cb -0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1tkw s VAL 244 CO 0.01 -0.23 1.50 -0.22 0.00 0.00 0.00 175.10 176.15 1tkw s LEU 245 N 1.57 3.83 -0.08 3.92 2.96 -0.59 -1.38 118.68 128.92 1tkw s LEU 245 Ca 0.03 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.26 1tkw s LEU 245 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1tkw s LEU 245 CO 0.07 -1.25 0.13 -1.58 -1.32 0.00 0.00 176.35 172.41 1tkw s GLN 246 N 4.60 3.37 0.05 1.98 0.74 0.85 -3.39 119.66 127.86 1tkw s GLN 246 Ca 0.66 -0.24 -0.31 0.00 0.05 0.00 0.00 55.36 55.52 1tkw s GLN 246 Cb -0.21 -3.10 -0.06 0.00 1.10 0.00 0.00 33.01 30.75 1tkw s GLN 246 CO 0.28 0.73 1.25 0.34 -0.55 0.00 0.00 175.29 177.34 1tkw s ASP 247 N -1.34 7.01 0.00 6.67 -1.08 -1.26 -4.19 116.67 122.48 1tkw s ASP 247 Ca 0.19 2.06 0.09 0.00 -0.52 0.00 0.00 52.55 54.37 1tkw s ASP 247 Cb -0.12 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.31 1tkw s ASP 247 CO 0.09 -0.54 1.03 -0.81 0.52 0.00 0.00 175.17 175.46 1tkw n PRO 248 N 4.18 0.27 0.00 4.34 -0.04 -1.26 -4.48 135.00 138.01 1tkw n PRO 248 Ca 0.10 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1tkw n PRO 248 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1tkw n PRO 248 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tkw n LEU 249 N -1.04 0.00 0.00 1.53 4.77 -1.26 -5.20 117.00 115.79 1tkw n LEU 249 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1tkw n LEU 249 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1tkw n LEU 249 CO 0.06 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.66