#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcf h PRO 2 N 0.00 0.00 0.00 -0.72 0.13 -1.91 -2.08 132.00 127.42 2pcf h PRO 2 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2pcf h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2pcf h PRO 2 CO 0.00 0.14 -0.33 0.97 -0.23 0.00 0.00 178.00 178.55 2pcf h ILE 3 N 0.00 0.71 -0.46 -3.56 6.09 -1.99 -2.67 117.51 115.63 2pcf h ILE 3 Ca -0.00 -1.51 -0.10 0.00 -1.37 0.00 0.00 64.86 61.88 2pcf h ILE 3 Cb 0.35 1.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 2pcf h ILE 3 CO 0.02 0.33 -0.12 -0.26 -3.07 0.00 0.00 178.15 175.05 2pcf h PHE 4 N 0.00 1.01 -0.13 2.19 0.04 -1.81 -0.46 116.94 117.78 2pcf h PHE 4 Ca -0.00 -0.22 -0.22 0.00 2.80 0.00 0.00 57.97 60.33 2pcf h PHE 4 Cb 0.96 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.87 2pcf h PHE 4 CO 0.00 0.99 -0.77 0.00 -0.60 0.00 0.00 178.31 177.93 2pcf h ALA 5 N 0.88 0.27 -0.41 2.45 0.00 -1.61 -2.83 119.26 118.00 2pcf h ALA 5 Ca 0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2pcf h ALA 5 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2pcf h ALA 5 CO 0.05 0.64 0.13 1.96 0.00 0.00 0.00 179.25 182.02 2pcf h GLN 6 N 0.47 0.64 0.00 0.00 4.20 -1.40 0.37 115.11 119.39 2pcf h GLN 6 Ca -0.06 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2pcf h GLN 6 Cb 1.41 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2pcf h GLN 6 CO 0.16 0.64 -0.23 1.96 -0.67 0.00 0.00 178.83 180.68 2pcf h GLN 7 N 0.52 0.00 0.00 1.46 4.20 -1.11 -3.35 115.11 116.82 2pcf h GLN 7 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2pcf h GLN 7 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2pcf h GLN 7 CO -0.00 0.23 0.00 0.27 -0.67 0.00 0.00 178.83 178.66 2pcf n ASN 8 N -3.72 0.73 -4.11 1.46 6.94 -1.03 -5.00 115.26 110.53 2pcf n ASN 8 Ca -0.01 -1.00 -0.30 0.00 -0.02 0.00 0.00 54.58 53.25 2pcf n ASN 8 Cb 0.34 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.60 2pcf n ASN 8 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2pcf s TYR 9 N -0.00 2.25 0.09 -2.53 2.02 0.13 -5.03 117.35 114.27 2pcf s TYR 9 Ca 0.00 -1.08 -0.18 0.00 -0.37 0.00 0.00 57.07 55.44 2pcf s TYR 9 Cb 0.00 -1.57 -0.08 0.00 -0.40 0.00 0.00 41.96 39.91 2pcf s TYR 9 CO 0.00 -0.52 1.52 1.05 -1.57 0.00 0.00 175.55 176.03 2pcf h GLU 10 N 7.33 0.48 -4.54 -0.62 4.11 -1.87 -3.42 114.58 116.05 2pcf h GLU 10 Ca -0.31 -0.16 -0.54 0.00 0.07 0.00 0.00 59.36 58.43 2pcf h GLU 10 Cb 1.18 -0.04 -0.34 0.00 0.50 0.00 0.00 28.75 30.05 2pcf h GLU 10 CO 0.51 0.65 -0.82 1.21 0.07 0.00 0.00 179.01 180.63 2pcf s ASN 11 N -5.99 2.03 0.00 3.06 3.84 -1.26 -4.93 114.94 111.68 2pcf s ASN 11 Ca -0.13 -0.33 0.19 0.00 0.21 0.00 0.00 52.86 52.80 2pcf s ASN 11 Cb 0.08 -0.90 1.09 0.00 -0.55 0.00 0.00 41.25 40.97 2pcf s ASN 11 CO 0.75 0.00 1.58 -0.81 -2.79 0.00 0.00 177.10 175.83 2pcf n PRO 12 N 4.12 0.48 -3.61 0.43 -0.04 -1.26 -4.70 135.00 130.41 2pcf n PRO 12 Ca -0.20 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.93 2pcf n PRO 12 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2pcf n PRO 12 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pcf s ARG 13 N -2.23 4.03 0.83 0.54 3.52 -1.26 -1.04 118.95 123.34 2pcf s ARG 13 Ca 0.25 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.50 2pcf s ARG 13 Cb 0.13 -3.58 0.13 0.00 -1.56 0.00 0.00 34.95 30.07 2pcf s ARG 13 CO 0.25 -0.04 1.16 -1.21 -0.81 0.00 0.00 175.30 174.66 2pcf s GLU 14 N 1.35 1.43 0.33 5.12 2.02 0.10 -4.94 118.70 124.11 2pcf s GLU 14 Ca 0.08 -0.42 0.16 0.00 0.02 0.00 0.00 54.97 54.81 2pcf s GLU 14 Cb -0.14 -2.03 0.52 0.00 0.10 0.00 0.00 34.13 32.57 2pcf s GLU 14 CO 0.07 -1.81 1.67 0.00 0.02 0.00 0.00 175.26 175.21 2pcf h ALA 15 N -1.08 0.95 -0.01 5.21 0.00 -1.99 -2.46 119.26 119.88 2pcf h ALA 15 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2pcf h ALA 15 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2pcf h ALA 15 CO 0.48 0.59 -0.01 0.25 0.00 0.00 0.00 179.25 180.56 2pcf n THR 16 N -3.58 0.00 -0.54 0.00 -2.24 -1.26 -4.87 114.28 101.79 2pcf n THR 16 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2pcf n THR 16 Cb 0.57 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2pcf n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pcf n GLY 17 N 1.10 0.72 3.77 3.38 0.00 -0.93 -5.05 105.19 108.19 2pcf n GLY 17 Ca 0.21 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2pcf n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pcf s ARG 18 N -0.56 4.29 0.25 1.61 0.52 -1.26 -4.74 118.95 119.06 2pcf s ARG 18 Ca 0.00 0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 2pcf s ARG 18 Cb 0.00 -3.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 2pcf s ARG 18 CO 0.00 0.40 1.04 0.42 0.02 0.00 0.00 175.30 177.18 2pcf s ILE 19 N -0.29 3.74 0.61 1.52 1.01 -1.26 -0.72 121.20 125.82 2pcf s ILE 19 Ca 0.30 1.72 0.32 0.00 0.00 0.00 0.00 60.65 62.99 2pcf s ILE 19 Cb -0.18 -4.09 0.37 0.00 0.01 0.00 0.00 42.46 38.56 2pcf s ILE 19 CO 0.17 0.39 2.14 -0.37 0.00 0.00 0.00 174.94 177.27 2pcf h VAL 20 N 3.21 0.32 0.00 2.92 -1.51 -1.45 -2.33 116.25 117.41 2pcf h VAL 20 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2pcf h VAL 20 Cb 1.21 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2pcf h VAL 20 CO 0.68 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.02 2pcf n ALA 22 N -2.06 2.24 0.07 0.00 0.00 -0.88 -0.15 120.51 119.73 2pcf n ALA 22 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 2pcf n ALA 22 Cb 0.18 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 2pcf n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2pcf h ASN 23 N 0.00 0.14 0.00 0.00 2.35 -1.55 -3.38 115.58 113.14 2pcf h ASN 23 Ca 0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 2pcf h ASN 23 Cb 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2pcf h ASN 23 CO 0.00 1.12 -1.23 0.00 -1.65 0.00 0.00 177.43 175.67 2pcf s HIS 25 N -2.15 3.84 -2.08 0.00 3.76 0.79 -1.81 115.29 117.64 2pcf s HIS 25 Ca -0.02 -2.35 0.31 0.00 -0.15 0.00 0.00 55.06 52.85 2pcf s HIS 25 Cb 0.02 -4.09 1.72 0.00 1.11 0.00 0.00 32.58 31.34 2pcf s HIS 25 CO 0.16 -1.19 2.13 1.28 -0.85 0.00 0.00 174.74 176.26 2pcf n LEU 26 N 4.34 0.30 -4.84 0.89 4.77 -1.26 -4.35 117.00 116.86 2pcf n LEU 26 Ca 0.30 -0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 2pcf n LEU 26 Cb 0.42 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2pcf n LEU 26 CO 0.54 0.05 0.16 0.00 -1.33 0.00 0.00 177.39 176.81 2pcf s ALA 27 N -2.02 3.66 -0.28 -1.18 0.00 -1.26 -4.96 121.76 115.72 2pcf s ALA 27 Ca 0.45 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2pcf s ALA 27 Cb 0.22 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 2pcf s ALA 27 CO 0.37 0.48 0.27 0.45 0.00 0.00 0.00 175.76 177.33 2pcf s SER 28 N -1.40 6.12 -0.00 0.00 0.15 -1.26 0.18 113.70 117.49 2pcf s SER 28 Ca 0.30 0.11 0.05 0.00 0.70 0.00 0.00 55.95 57.11 2pcf s SER 28 Cb -0.16 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2pcf s SER 28 CO 0.17 -0.11 -0.15 -0.75 1.20 0.00 0.00 173.24 173.60 2pcf s LYS 29 N 1.89 1.18 0.35 5.44 2.20 -0.23 -4.76 119.74 125.81 2pcf s LYS 29 Ca 0.10 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 2pcf s LYS 29 Cb -0.16 -1.15 -0.11 0.00 -1.51 0.00 0.00 37.83 34.90 2pcf s LYS 29 CO 0.11 0.31 1.53 -1.25 -0.36 0.00 0.00 175.35 175.68 2pcf s PRO 30 N -0.51 4.11 0.02 4.03 0.04 -1.26 -2.78 135.00 138.65 2pcf s PRO 30 Ca 0.05 2.58 0.08 0.00 0.04 0.00 0.00 61.00 63.75 2pcf s PRO 30 Cb -0.06 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 2pcf s PRO 30 CO -0.00 -0.57 -0.23 0.08 0.04 0.00 0.00 177.00 176.32 2pcf s VAL 31 N -0.73 1.86 0.12 -0.36 1.01 -1.26 -4.07 120.40 116.97 2pcf s VAL 31 Ca 0.56 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2pcf s VAL 31 Cb -0.47 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2pcf s VAL 31 CO 0.58 0.35 -0.17 -0.62 0.00 0.00 0.00 175.10 175.24 2pcf s ASP 32 N -0.99 2.28 -0.09 3.32 2.15 -0.00 -4.71 116.67 118.62 2pcf s ASP 32 Ca 0.09 -0.77 -0.04 0.00 0.43 0.00 0.00 52.55 52.26 2pcf s ASP 32 Cb -0.09 -0.11 0.05 0.00 -0.30 0.00 0.00 42.92 42.47 2pcf s ASP 32 CO 0.01 -0.06 0.19 -0.51 -0.17 0.00 0.00 175.17 174.63 2pcf s ILE 33 N -1.79 -0.24 -0.18 4.11 2.07 -1.26 -0.32 121.20 123.59 2pcf s ILE 33 Ca 0.09 0.29 -0.03 0.00 -1.41 0.00 0.00 60.65 59.59 2pcf s ILE 33 Cb -0.07 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 2pcf s ILE 33 CO 0.04 0.12 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.53 2pcf s GLU 34 N 2.04 3.50 0.07 3.50 2.02 0.70 -4.96 118.70 125.56 2pcf s GLU 34 Ca -0.01 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2pcf s GLU 34 Cb -0.12 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2pcf s GLU 34 CO -0.07 0.06 -0.06 0.54 0.02 0.00 0.00 175.26 175.75 2pcf s VAL 35 N 0.82 0.55 0.56 2.63 0.11 -1.26 -1.08 120.40 122.72 2pcf s VAL 35 Ca -0.02 -1.55 -0.20 0.00 -2.93 0.00 0.00 61.98 57.28 2pcf s VAL 35 Cb -0.15 -1.20 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2pcf s VAL 35 CO 0.01 -0.69 1.21 -2.16 -3.33 0.00 0.00 175.10 170.14 2pcf s PRO 36 N -2.90 3.17 0.31 1.54 0.04 -1.26 -4.92 135.00 130.98 2pcf s PRO 36 Ca 0.02 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.91 2pcf s PRO 36 Cb -0.01 -2.05 0.52 0.00 0.04 0.00 0.00 34.50 33.00 2pcf s PRO 36 CO -0.03 -1.05 1.87 0.37 0.04 0.00 0.00 177.00 178.20 2pcf h GLN 37 N 1.18 0.71 -3.17 4.56 5.75 -1.97 -3.43 115.11 118.74 2pcf h GLN 37 Ca -0.50 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 57.76 2pcf h GLN 37 Cb 1.29 -0.12 -0.18 0.00 1.07 0.00 0.00 27.48 29.53 2pcf h GLN 37 CO 0.56 0.64 -0.26 0.00 -2.65 0.00 0.00 178.83 177.12 2pcf s ALA 38 N -5.20 -0.73 0.05 3.38 0.00 -1.26 -1.65 121.76 116.35 2pcf s ALA 38 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2pcf s ALA 38 Cb 0.16 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 2pcf s ALA 38 CO 0.78 -0.33 -0.05 0.14 0.00 0.00 0.00 175.76 176.30 2pcf s VAL 39 N -1.92 0.35 0.56 0.00 -7.23 -0.38 -4.89 120.40 106.89 2pcf s VAL 39 Ca -0.09 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 2pcf s VAL 39 Cb -0.03 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.88 2pcf s VAL 39 CO 0.01 -0.73 0.81 -0.76 -0.31 0.00 0.00 175.10 174.12 2pcf s LEU 40 N -2.32 3.28 0.52 1.32 2.01 -1.26 -0.53 118.68 121.70 2pcf s LEU 40 Ca -0.01 0.23 -0.20 0.00 0.01 0.00 0.00 54.13 54.15 2pcf s LEU 40 Cb -0.01 -3.06 -0.06 0.00 0.01 0.00 0.00 46.19 43.07 2pcf s LEU 40 CO -0.05 -1.11 1.14 -2.16 1.01 0.00 0.00 176.35 175.19 2pcf s PRO 41 N -4.83 3.44 -1.50 1.29 0.04 -1.26 -3.55 135.00 128.63 2pcf s PRO 41 Ca 0.55 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 2pcf s PRO 41 Cb -0.10 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.41 2pcf s PRO 41 CO 0.40 -0.79 1.02 -3.47 0.04 0.00 0.00 177.00 174.20 2pcf n ASP 42 N -1.11 -5.18 -4.33 6.66 2.03 -0.78 -4.94 116.55 108.91 2pcf n ASP 42 Ca 0.11 -0.72 -0.26 0.00 0.52 0.00 0.00 54.79 54.44 2pcf n ASP 42 Cb 0.50 -4.12 -0.13 0.00 -0.72 0.00 0.00 41.12 36.66 2pcf n ASP 42 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2pcf s THR 43 N -3.30 1.93 0.03 5.18 -4.23 -1.23 -4.89 115.64 109.13 2pcf s THR 43 Ca 0.65 -1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 59.34 2pcf s THR 43 Cb -0.32 -1.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.73 2pcf s THR 43 CO 0.80 -0.00 0.54 -0.69 -0.54 0.00 0.00 174.62 174.73 2pcf s VAL 44 N -1.13 4.85 0.23 2.29 1.01 -1.26 -1.30 120.40 125.10 2pcf s VAL 44 Ca 0.09 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2pcf s VAL 44 Cb -0.10 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2pcf s VAL 44 CO 0.05 0.52 0.10 0.72 0.00 0.00 0.00 175.10 176.49 2pcf s PHE 45 N -0.84 1.38 -0.06 5.22 -0.71 -0.22 -4.98 117.98 117.78 2pcf s PHE 45 Ca 0.28 -1.24 0.03 0.00 -1.04 0.00 0.00 56.93 54.96 2pcf s PHE 45 Cb -0.18 -0.76 -0.02 0.00 -1.21 0.00 0.00 43.02 40.84 2pcf s PHE 45 CO 0.17 -0.44 -0.15 -1.83 -1.34 0.00 0.00 175.22 171.63 2pcf s GLU 46 N -4.07 2.62 -0.32 1.99 -1.05 -1.26 -1.23 118.70 115.38 2pcf s GLU 46 Ca 0.37 -0.72 -0.06 0.00 -0.15 0.00 0.00 54.97 54.41 2pcf s GLU 46 Cb 0.07 -2.38 0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2pcf s GLU 46 CO 0.12 0.54 0.08 0.00 0.95 0.00 0.00 175.26 176.96 2pcf s ALA 47 N -0.52 3.02 -0.34 -0.84 0.00 -0.04 -4.46 121.76 118.59 2pcf s ALA 47 Ca 0.07 -1.66 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 2pcf s ALA 47 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 2pcf s ALA 47 CO 0.01 -1.20 0.22 0.54 0.00 0.00 0.00 175.76 175.33 2pcf s VAL 48 N 1.42 5.12 -0.16 0.00 0.11 -0.25 -1.17 120.40 125.48 2pcf s VAL 48 Ca -0.01 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 2pcf s VAL 48 Cb -0.19 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2pcf s VAL 48 CO 0.02 -0.00 0.03 -0.69 -3.33 0.00 0.00 175.10 171.13 2pcf s VAL 49 N 1.69 4.51 -0.18 2.04 1.01 -0.54 -0.22 120.40 128.71 2pcf s VAL 49 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2pcf s VAL 49 Cb -0.17 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2pcf s VAL 49 CO 0.10 0.50 -0.09 -0.54 0.00 0.00 0.00 175.10 175.06 2pcf s LYS 50 N 0.12 3.35 -0.68 2.72 1.02 0.57 -1.33 119.74 125.50 2pcf s LYS 50 Ca 0.03 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.38 2pcf s LYS 50 Cb -0.13 -2.81 0.17 0.00 -0.52 0.00 0.00 37.83 34.54 2pcf s LYS 50 CO 0.01 -0.03 0.47 0.42 -0.92 0.00 0.00 175.35 175.30 2pcf s ILE 51 N 0.99 3.10 0.36 2.17 1.01 -0.13 -0.82 121.20 127.88 2pcf s ILE 51 Ca -0.01 -3.85 -0.26 0.00 0.00 0.00 0.00 60.65 56.53 2pcf s ILE 51 Cb -0.15 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 2pcf s ILE 51 CO -0.01 -0.95 1.07 -2.16 0.00 0.00 0.00 174.94 172.89 2pcf s PRO 52 N -1.01 4.30 -0.04 2.79 0.04 -1.26 -4.79 135.00 135.04 2pcf s PRO 52 Ca 0.22 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2pcf s PRO 52 Cb -0.12 -2.74 0.09 0.00 0.04 0.00 0.00 34.50 31.77 2pcf s PRO 52 CO -0.10 -0.04 0.80 1.52 0.04 0.00 0.00 177.00 179.22 2pcf s TYR 53 N -1.50 -0.49 -0.15 0.56 1.13 -1.26 -4.79 117.35 110.86 2pcf s TYR 53 Ca 0.54 0.66 -0.29 0.00 -1.41 0.00 0.00 57.07 56.56 2pcf s TYR 53 Cb -0.25 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 2pcf s TYR 53 CO 0.32 -0.56 1.67 0.34 -2.51 0.00 0.00 175.55 174.81 2pcf s ASP 54 N -1.70 6.45 0.48 -0.18 2.15 -1.26 -4.91 116.67 117.70 2pcf s ASP 54 Ca -0.03 1.91 0.24 0.00 0.43 0.00 0.00 52.55 55.10 2pcf s ASP 54 Cb -0.01 -2.53 1.22 0.00 -0.30 0.00 0.00 42.92 41.30 2pcf s ASP 54 CO -0.00 -1.15 1.98 -0.03 -0.17 0.00 0.00 175.17 175.80 2pcf h MET 55 N 10.47 0.00 -0.41 4.34 4.05 -2.03 -2.89 114.93 128.47 2pcf h MET 55 Ca -0.37 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2pcf h MET 55 Cb 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2pcf h MET 55 CO 0.98 0.18 0.00 0.00 0.23 0.00 0.00 176.91 178.30 2pcf n GLN 56 N -3.70 1.46 -2.59 0.39 10.64 -1.26 -4.86 117.38 117.46 2pcf n GLN 56 Ca -0.01 -0.53 -0.42 0.00 -1.83 0.00 0.00 57.00 54.21 2pcf n GLN 56 Cb 0.30 -1.29 -0.03 0.00 -0.86 0.00 0.00 30.24 28.36 2pcf n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2pcf s LEU 57 N -0.83 4.39 -0.15 2.61 1.43 -1.09 -5.03 118.68 120.00 2pcf s LEU 57 Ca 0.10 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.06 2pcf s LEU 57 Cb 0.06 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2pcf s LEU 57 CO 0.05 -0.31 -0.19 -0.54 0.23 0.00 0.00 176.35 175.58 2pcf s LYS 58 N 0.79 3.07 0.45 1.70 1.02 -1.26 -4.65 119.74 120.86 2pcf s LYS 58 Ca 0.54 -0.82 0.08 0.00 0.02 0.00 0.00 55.97 55.79 2pcf s LYS 58 Cb -0.25 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2pcf s LYS 58 CO 0.29 -0.05 0.57 1.14 -0.92 0.00 0.00 175.35 176.38 2pcf s GLN 59 N 0.92 2.69 -0.46 1.68 -2.07 -0.04 -4.77 119.66 117.62 2pcf s GLN 59 Ca -0.04 -1.37 -0.24 0.00 -1.82 0.00 0.00 55.36 51.89 2pcf s GLN 59 Cb -0.15 -2.66 0.03 0.00 -1.09 0.00 0.00 33.01 29.14 2pcf s GLN 59 CO -0.04 -0.36 0.83 0.08 -1.32 0.00 0.00 175.29 174.49 2pcf s VAL 60 N -2.43 4.58 0.65 3.63 1.01 -1.26 -0.52 120.40 126.06 2pcf s VAL 60 Ca 0.54 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 2pcf s VAL 60 Cb -0.08 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2pcf s VAL 60 CO 0.33 -0.78 1.10 -0.76 0.00 0.00 0.00 175.10 174.99 2pcf s LEU 61 N 3.46 3.40 0.00 3.92 1.02 0.88 -4.82 118.68 126.54 2pcf s LEU 61 Ca 0.32 1.96 0.00 0.00 0.02 0.00 0.00 54.13 56.43 2pcf s LEU 61 Cb -0.12 -4.55 0.02 0.00 0.02 0.00 0.00 46.19 41.56 2pcf s LEU 61 CO 0.23 -1.55 0.15 0.00 0.02 0.00 0.00 176.35 175.21 2pcf n ALA 62 N -2.37 1.54 -0.12 4.21 0.00 -1.26 -1.67 120.51 120.83 2pcf n ALA 62 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2pcf n ALA 62 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2pcf n ALA 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pcf n ASN 63 N -0.61 1.82 0.00 0.00 0.23 -1.26 -4.98 115.26 110.46 2pcf n ASN 63 Ca 0.00 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 2pcf n ASN 63 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2pcf n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pcf n GLY 64 N -0.48 2.95 3.75 4.83 0.00 -0.67 -4.92 105.19 110.64 2pcf n GLY 64 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pcf n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pcf s LYS 65 N -0.09 2.00 -0.09 1.61 -0.14 -1.26 -4.29 119.74 117.47 2pcf s LYS 65 Ca 0.00 1.16 -0.08 0.00 -1.36 0.00 0.00 55.97 55.69 2pcf s LYS 65 Cb 0.00 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2pcf s LYS 65 CO 0.00 -1.83 0.19 0.15 -0.76 0.00 0.00 175.35 173.11 2pcf s LYS 66 N -4.88 3.52 0.02 1.68 1.02 -1.26 -0.08 119.74 119.76 2pcf s LYS 66 Ca 0.62 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 56.56 2pcf s LYS 66 Cb -0.18 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2pcf s LYS 66 CO 0.56 0.76 0.03 0.41 -0.92 0.00 0.00 175.35 176.20 2pcf n GLY 67 N 1.89 2.73 3.90 -3.33 0.00 0.32 -4.86 105.19 105.84 2pcf n GLY 67 Ca -0.18 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 2pcf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcf s ALA 68 N -1.46 2.75 0.15 4.61 0.00 -1.26 -0.86 121.76 125.69 2pcf s ALA 68 Ca 0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2pcf s ALA 68 Cb -0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 2pcf s ALA 68 CO 0.01 -1.49 0.35 -0.51 0.00 0.00 0.00 175.76 174.12 2pcf s LEU 69 N -5.50 4.27 0.03 0.00 1.02 -1.26 -4.73 118.68 112.51 2pcf s LEU 69 Ca 0.61 0.42 0.07 0.00 0.02 0.00 0.00 54.13 55.25 2pcf s LEU 69 Cb -0.11 -3.16 -0.03 0.00 0.02 0.00 0.00 46.19 42.91 2pcf s LEU 69 CO 0.50 0.03 -0.19 0.20 0.02 0.00 0.00 176.35 176.91 2pcf s ASN 70 N -2.83 3.72 0.10 2.29 0.01 -1.26 -1.33 114.94 115.64 2pcf s ASN 70 Ca 0.38 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 52.20 2pcf s ASN 70 Cb -0.12 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 2pcf s ASN 70 CO 0.27 0.27 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.29 2pcf s VAL 71 N -0.87 2.98 0.14 1.60 1.01 0.15 -1.65 120.40 123.76 2pcf s VAL 71 Ca 0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 2pcf s VAL 71 Cb -0.10 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2pcf s VAL 71 CO 0.04 0.16 0.17 -0.83 0.00 0.00 0.00 175.10 174.64 2pcf s GLY 72 N -2.00 0.68 0.05 4.51 0.00 -0.63 -0.96 107.32 108.97 2pcf s GLY 72 Ca 0.18 -1.13 -0.23 0.00 0.00 0.00 0.00 44.72 43.54 2pcf s GLY 72 CO 0.10 -1.08 0.53 0.00 0.00 0.00 0.00 173.10 172.66 2pcf s ALA 73 N -3.99 -1.36 -0.16 3.20 0.00 -0.16 -2.08 121.76 117.20 2pcf s ALA 73 Ca 0.19 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 2pcf s ALA 73 Cb 0.05 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.63 2pcf s ALA 73 CO -0.00 -0.52 -0.00 0.54 0.00 0.00 0.00 175.76 175.77 2pcf s VAL 74 N -2.52 0.69 -0.25 0.00 0.11 -0.67 -2.08 120.40 115.68 2pcf s VAL 74 Ca -0.05 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 2pcf s VAL 74 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2pcf s VAL 74 CO -0.02 0.01 0.10 -0.22 -3.33 0.00 0.00 175.10 171.64 2pcf s LEU 75 N 1.81 3.61 -0.41 2.54 2.96 0.59 -1.54 118.68 128.24 2pcf s LEU 75 Ca 0.01 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 2pcf s LEU 75 Cb -0.15 -1.98 0.08 0.00 0.50 0.00 0.00 46.19 44.65 2pcf s LEU 75 CO -0.07 -0.02 0.23 -0.63 -1.32 0.00 0.00 176.35 174.53 2pcf s ILE 76 N 1.56 3.91 0.44 6.68 1.01 0.47 -0.97 121.20 134.31 2pcf s ILE 76 Ca 0.06 -1.56 0.08 0.00 0.00 0.00 0.00 60.65 59.24 2pcf s ILE 76 Cb -0.15 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2pcf s ILE 76 CO 0.05 -0.52 0.51 -0.76 0.00 0.00 0.00 174.94 174.22 2pcf s LEU 77 N 1.35 3.44 0.83 2.97 1.43 -0.35 -1.55 118.68 126.80 2pcf s LEU 77 Ca 0.03 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2pcf s LEU 77 Cb -0.23 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 43.85 2pcf s LEU 77 CO 0.00 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 174.71 2pcf s PRO 78 N -4.29 1.82 0.23 1.29 0.04 -1.26 -4.77 135.00 128.06 2pcf s PRO 78 Ca 0.52 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2pcf s PRO 78 Cb -0.06 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2pcf s PRO 78 CO 0.31 -1.85 1.45 -1.21 0.04 0.00 0.00 177.00 175.73 2pcf s GLU 79 N -5.01 4.27 0.00 4.56 2.02 -1.26 -2.57 118.70 120.71 2pcf s GLU 79 Ca 0.62 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.90 2pcf s GLU 79 Cb -0.16 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2pcf s GLU 79 CO 0.56 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2pcf n GLY 80 N 2.42 3.09 3.75 -1.39 0.00 -1.26 -4.89 105.19 106.91 2pcf n GLY 80 Ca 0.08 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 2pcf n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pcf s PHE 81 N -0.37 3.56 0.31 1.61 0.40 -1.06 -4.43 117.98 118.00 2pcf s PHE 81 Ca 0.00 1.66 -0.07 0.00 -0.60 0.00 0.00 56.93 57.92 2pcf s PHE 81 Cb 0.00 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.23 2pcf s PHE 81 CO 0.00 -0.64 0.48 -1.83 0.70 0.00 0.00 175.22 173.93 2pcf s GLU 82 N -1.22 1.78 0.04 0.44 -1.05 -1.20 -4.10 118.70 113.39 2pcf s GLU 82 Ca 0.46 -1.57 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 2pcf s GLU 82 Cb -0.32 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 33.76 2pcf s GLU 82 CO 0.40 -0.74 1.48 -1.17 0.95 0.00 0.00 175.26 176.18 2pcf s LEU 83 N -3.15 4.34 0.27 1.83 2.96 -1.26 -0.90 118.68 122.76 2pcf s LEU 83 Ca 0.27 2.26 -0.30 0.00 -0.22 0.00 0.00 54.13 56.14 2pcf s LEU 83 Cb -0.00 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 2pcf s LEU 83 CO 0.16 -0.76 1.58 0.00 -1.32 0.00 0.00 176.35 176.01 2pcf s ALA 84 N 2.28 3.76 0.71 5.97 0.00 0.05 -4.71 121.76 129.82 2pcf s ALA 84 Ca 0.67 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 54.01 2pcf s ALA 84 Cb -0.35 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.16 2pcf s ALA 84 CO 0.29 -0.92 1.14 -1.25 0.00 0.00 0.00 175.76 175.02 2pcf s PRO 85 N -0.15 2.41 0.40 0.00 0.04 -1.26 -4.89 135.00 131.55 2pcf s PRO 85 Ca 0.65 1.49 0.08 0.00 0.04 0.00 0.00 61.00 63.26 2pcf s PRO 85 Cb -0.47 -1.89 0.83 0.00 0.04 0.00 0.00 34.50 33.01 2pcf s PRO 85 CO 0.44 -1.57 1.99 -1.00 0.04 0.00 0.00 177.00 176.89 2pcf h PRO 86 N -0.33 0.38 0.00 0.56 0.13 -1.95 -2.52 132.00 128.26 2pcf h PRO 86 Ca -0.46 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2pcf h PRO 86 Cb 1.26 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2pcf h PRO 86 CO 0.51 0.36 -0.24 0.38 -0.23 0.00 0.00 178.00 178.78 2pcf h ASP 87 N 0.38 0.00 -0.01 1.44 2.03 -2.03 -2.01 116.42 116.21 2pcf h ASP 87 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2pcf h ASP 87 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2pcf h ASP 87 CO -0.00 0.24 -0.00 0.54 -1.03 0.00 0.00 179.24 178.99 2pcf n ARG 88 N -3.63 1.76 -3.02 4.15 5.12 -0.96 -4.82 116.66 115.26 2pcf n ARG 88 Ca -0.01 -1.11 -0.42 0.00 -1.93 0.00 0.00 57.85 54.38 2pcf n ARG 88 Cb 0.37 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.14 2pcf n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2pcf s ILE 89 N -2.01 4.82 0.71 0.55 1.01 -0.76 -4.92 121.20 120.60 2pcf s ILE 89 Ca 0.36 0.86 -0.13 0.00 0.00 0.00 0.00 60.65 61.74 2pcf s ILE 89 Cb 0.21 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2pcf s ILE 89 CO 0.33 -0.31 1.11 -0.94 0.00 0.00 0.00 174.94 175.13 2pcf s SER 90 N 1.75 4.77 0.43 3.58 1.04 -1.26 -4.83 113.70 119.17 2pcf s SER 90 Ca 0.29 1.98 0.23 0.00 0.48 0.00 0.00 55.95 58.93 2pcf s SER 90 Cb -0.14 -2.55 0.89 0.00 0.10 0.00 0.00 66.02 64.32 2pcf s SER 90 CO 0.15 -1.86 1.81 1.55 0.98 0.00 0.00 173.24 175.87 2pcf h PRO 91 N -0.42 0.00 0.00 4.02 0.13 -1.97 -0.23 132.00 133.52 2pcf h PRO 91 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2pcf h PRO 91 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2pcf h PRO 91 CO 0.52 0.25 -0.26 0.93 -0.23 0.00 0.00 178.00 179.22 2pcf h GLU 92 N 0.00 0.00 0.00 0.86 3.07 -2.01 -2.72 114.58 113.78 2pcf h GLU 92 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pcf h GLU 92 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2pcf h GLU 92 CO 0.03 0.26 -1.31 -0.12 -1.40 0.00 0.00 179.01 176.47 2pcf n MET 93 N -3.41 0.56 -0.08 2.33 1.56 -0.98 -3.94 117.12 113.15 2pcf n MET 93 Ca 0.00 -0.07 -0.11 0.00 -0.27 0.00 0.00 57.70 57.25 2pcf n MET 93 Cb 0.45 -1.45 0.02 0.00 2.15 0.00 0.00 33.22 34.40 2pcf n MET 93 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2pcf h LYS 94 N 0.00 0.82 0.00 2.12 1.63 -0.73 -1.14 116.57 119.27 2pcf h LYS 94 Ca 0.00 -0.42 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 2pcf h LYS 94 Cb 0.64 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2pcf h LYS 94 CO 0.00 1.05 -0.23 1.05 -3.45 0.00 0.00 179.45 177.87 2pcf h GLU 95 N 0.67 0.00 -0.16 1.90 4.11 -1.71 -3.16 114.58 116.23 2pcf h GLU 95 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.41 2pcf h GLU 95 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2pcf h GLU 95 CO 0.09 0.23 -0.21 0.87 0.07 0.00 0.00 179.01 180.06 2pcf h LYS 96 N 0.00 0.43 0.00 1.06 1.57 -1.57 -2.84 116.57 115.22 2pcf h LYS 96 Ca -0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2pcf h LYS 96 Cb 1.09 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2pcf h LYS 96 CO 0.03 0.82 0.00 0.44 -0.57 0.00 0.00 179.45 180.18 2pcf n ILE 97 N -4.47 0.00 0.00 1.86 -5.35 -0.47 -4.79 119.36 106.15 2pcf n ILE 97 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2pcf n ILE 97 Cb 0.41 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 2pcf n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pcf n GLY 98 N 0.28 2.07 2.66 3.28 0.00 -1.08 -2.79 105.19 109.62 2pcf n GLY 98 Ca 0.12 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2pcf n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pcf n ASN 99 N 10.74 0.06 -4.84 1.61 6.94 -1.26 -4.79 115.26 123.71 2pcf n ASN 99 Ca 0.00 -2.11 -0.32 0.00 -0.02 0.00 0.00 54.58 52.13 2pcf n ASN 99 Cb 0.00 0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.50 2pcf n ASN 99 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2pcf s LEU 100 N -3.72 3.51 -0.29 -4.53 1.43 -1.12 -5.03 118.68 108.93 2pcf s LEU 100 Ca 0.18 1.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2pcf s LEU 100 Cb 0.37 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 42.11 2pcf s LEU 100 CO -0.08 -0.81 0.03 -0.94 0.23 0.00 0.00 176.35 174.78 2pcf s SER 101 N -3.22 4.89 -0.00 2.29 1.04 -1.26 -5.07 113.70 112.37 2pcf s SER 101 Ca 0.59 -0.88 -0.22 0.00 0.48 0.00 0.00 55.95 55.92 2pcf s SER 101 Cb -0.12 -1.80 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 2pcf s SER 101 CO 0.37 -0.20 0.66 -0.36 0.98 0.00 0.00 173.24 174.69 2pcf s PHE 102 N 1.41 3.67 0.28 5.02 0.08 -1.26 -4.72 117.98 122.46 2pcf s PHE 102 Ca 0.00 1.27 0.09 0.00 0.12 0.00 0.00 56.93 58.42 2pcf s PHE 102 Cb -0.18 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 2pcf s PHE 102 CO 0.00 0.28 0.01 -0.65 -0.10 0.00 0.00 175.22 174.76 2pcf s GLN 103 N 0.04 2.29 0.28 0.44 -1.52 -0.11 -4.92 119.66 116.17 2pcf s GLN 103 Ca 0.34 -1.45 -0.19 0.00 -1.95 0.00 0.00 55.36 52.11 2pcf s GLN 103 Cb -0.19 -2.15 -0.09 0.00 -0.22 0.00 0.00 33.01 30.37 2pcf s GLN 103 CO 0.19 0.32 0.76 -0.80 -0.25 0.00 0.00 175.29 175.52 2pcf s ASN 104 N -3.69 6.97 0.14 5.90 0.01 -1.26 -0.63 114.94 122.37 2pcf s ASN 104 Ca 0.32 1.42 -0.18 0.00 -0.71 0.00 0.00 52.86 53.71 2pcf s ASN 104 Cb -0.06 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.18 2pcf s ASN 104 CO 0.20 -0.09 1.75 0.22 -1.51 0.00 0.00 177.10 177.67 2pcf h TYR 105 N 2.85 0.16 -3.93 2.20 3.20 -1.17 -3.44 116.97 116.83 2pcf h TYR 105 Ca -0.48 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.19 2pcf h TYR 105 Cb 1.18 -0.03 -0.17 0.00 1.54 0.00 0.00 36.73 39.25 2pcf h TYR 105 CO 0.63 0.07 -0.70 1.03 -1.64 0.00 0.00 178.16 177.55 2pcf s ARG 106 N -6.17 0.69 0.51 1.82 0.52 -1.26 -4.87 118.95 110.19 2pcf s ARG 106 Ca -0.13 -1.13 0.23 0.00 -0.52 0.00 0.00 55.73 54.19 2pcf s ARG 106 Cb 0.10 -0.14 1.36 0.00 0.52 0.00 0.00 34.95 36.80 2pcf s ARG 106 CO 0.70 -0.02 2.08 -1.00 0.02 0.00 0.00 175.30 177.08 2pcf h PRO 107 N 3.48 0.00 0.00 3.54 0.13 -2.00 -2.31 132.00 134.84 2pcf h PRO 107 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2pcf h PRO 107 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pcf h PRO 107 CO 0.57 0.12 -0.62 0.27 -0.23 0.00 0.00 178.00 178.11 2pcf n ASN 108 N -3.90 0.58 -4.34 1.44 0.23 -1.26 -4.42 115.26 103.59 2pcf n ASN 108 Ca -0.02 -0.14 -0.46 0.00 -0.53 0.00 0.00 54.58 53.43 2pcf n ASN 108 Cb 0.21 0.31 -0.01 0.00 -2.08 0.00 0.00 39.78 38.22 2pcf n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2pcf s LYS 109 N -3.08 4.00 0.00 -3.83 -0.14 -0.87 -4.78 119.74 111.03 2pcf s LYS 109 Ca 0.08 -2.96 0.30 0.00 -1.36 0.00 0.00 55.97 52.04 2pcf s LYS 109 Cb 0.16 -4.51 1.56 0.00 -1.68 0.00 0.00 37.83 33.35 2pcf s LYS 109 CO 0.72 -1.26 2.04 1.63 -0.76 0.00 0.00 175.35 177.72 2pcf n LYS 110 N 3.15 1.01 -0.11 1.68 5.02 -1.26 -3.29 118.16 124.37 2pcf n LYS 110 Ca 0.20 -0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.37 2pcf n LYS 110 Cb 0.42 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.09 2pcf n LYS 110 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2pcf n ASN 111 N -0.79 3.18 -4.15 4.39 6.94 -1.26 -4.27 115.26 119.30 2pcf n ASN 111 Ca 0.20 -1.96 -0.33 0.00 -0.02 0.00 0.00 54.58 52.47 2pcf n ASN 111 Cb 0.21 -0.14 -0.15 0.00 -2.36 0.00 0.00 39.78 37.34 2pcf n ASN 111 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2pcf s ILE 112 N -1.62 2.40 -0.01 1.53 1.01 -1.21 -1.22 121.20 122.08 2pcf s ILE 112 Ca 0.32 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2pcf s ILE 112 Cb 0.20 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2pcf s ILE 112 CO 0.29 0.38 -0.17 -0.76 0.00 0.00 0.00 174.94 174.69 2pcf s LEU 113 N 1.30 2.61 0.10 2.97 1.43 -0.14 -0.93 118.68 126.01 2pcf s LEU 113 Ca 0.02 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 2pcf s LEU 113 Cb -0.15 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2pcf s LEU 113 CO -0.09 0.31 -0.18 0.68 0.23 0.00 0.00 176.35 177.30 2pcf s VAL 114 N -0.78 1.51 -0.08 -1.59 -7.23 0.20 -0.30 120.40 112.13 2pcf s VAL 114 Ca 0.12 -1.53 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 2pcf s VAL 114 Cb -0.10 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.43 2pcf s VAL 114 CO 0.02 -0.17 0.37 -0.51 -0.31 0.00 0.00 175.10 174.50 2pcf s ILE 115 N -1.39 0.03 0.00 -0.62 2.07 -0.88 -0.93 121.20 119.47 2pcf s ILE 115 Ca 0.05 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 2pcf s ILE 115 Cb -0.09 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2pcf s ILE 115 CO 0.04 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 2pcf n GLY 116 N 2.01 3.19 3.71 1.50 0.00 -1.26 -0.99 105.19 113.34 2pcf n GLY 116 Ca -0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2pcf n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pcf s PRO 117 N -3.28 4.45 0.24 1.61 0.04 -1.26 -4.61 135.00 132.19 2pcf s PRO 117 Ca 0.00 1.63 0.12 0.00 0.04 0.00 0.00 61.00 62.79 2pcf s PRO 117 Cb 0.00 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 2pcf s PRO 117 CO 0.00 -0.24 -0.21 0.14 0.04 0.00 0.00 177.00 176.73 2pcf s VAL 118 N 1.34 2.48 0.26 -0.36 -7.23 -0.14 -4.92 120.40 111.84 2pcf s VAL 118 Ca 0.56 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 2pcf s VAL 118 Cb -0.25 -2.25 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 2pcf s VAL 118 CO 0.27 -0.27 1.54 -2.16 -0.31 0.00 0.00 175.10 174.17 2pcf s PRO 119 N -3.13 4.18 0.01 4.82 0.04 -1.26 -0.67 135.00 138.98 2pcf s PRO 119 Ca 0.26 2.46 -0.25 0.00 0.04 0.00 0.00 61.00 63.51 2pcf s PRO 119 Cb -0.06 -3.07 -0.16 0.00 0.04 0.00 0.00 34.50 31.25 2pcf s PRO 119 CO 0.13 -0.55 1.18 0.78 0.04 0.00 0.00 177.00 178.58 2pcf h GLY 120 N 5.12 -0.56 1.81 0.56 0.00 -1.53 -1.02 103.07 107.46 2pcf h GLY 120 Ca -0.46 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2pcf h GLY 120 CO 0.80 -0.20 0.06 -1.06 0.00 0.00 0.00 176.54 176.14 2pcf n GLN 121 N -5.19 0.09 -0.12 4.80 6.02 -1.26 -2.71 117.38 119.01 2pcf n GLN 121 Ca -0.10 0.57 -0.24 0.00 -0.01 0.00 0.00 57.00 57.22 2pcf n GLN 121 Cb 0.29 -1.86 -0.08 0.00 1.02 0.00 0.00 30.24 29.60 2pcf n GLN 121 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pcf n LYS 122 N -1.99 0.52 -2.63 -1.09 4.76 -1.17 -4.76 118.16 111.81 2pcf n LYS 122 Ca -0.01 0.23 -0.34 0.00 -2.87 0.00 0.00 58.31 55.31 2pcf n LYS 122 Cb 0.09 -1.38 -0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2pcf n LYS 122 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pcf n TYR 123 N -4.15 3.32 0.14 2.13 4.01 -0.39 -4.64 117.16 117.57 2pcf n TYR 123 Ca -0.44 -3.09 -0.01 0.00 -0.16 0.00 0.00 57.90 54.20 2pcf n TYR 123 Cb 0.80 -0.82 0.16 0.00 -0.31 0.00 0.00 39.34 39.17 2pcf n TYR 123 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2pcf h SER 124 N 3.43 0.00 -3.26 7.72 0.02 -1.77 -3.40 113.55 116.29 2pcf h SER 124 Ca 0.37 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.66 2pcf h SER 124 Cb 0.41 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.65 2pcf h SER 124 CO 1.05 0.62 -0.80 -1.83 -1.14 0.00 0.00 176.83 174.74 2pcf s GLU 125 N -3.49 3.21 0.01 3.45 -1.05 -1.26 -0.96 118.70 118.62 2pcf s GLU 125 Ca -0.01 -0.73 0.06 0.00 -0.15 0.00 0.00 54.97 54.14 2pcf s GLU 125 Cb 0.12 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 31.08 2pcf s GLU 125 CO 0.76 -0.07 -0.15 0.42 0.95 0.00 0.00 175.26 177.16 2pcf s ILE 126 N 1.05 2.98 -0.24 1.83 1.01 -0.45 -4.96 121.20 122.43 2pcf s ILE 126 Ca -0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 2pcf s ILE 126 Cb -0.15 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.10 2pcf s ILE 126 CO -0.03 0.41 -0.06 -0.89 0.00 0.00 0.00 174.94 174.37 2pcf s THR 127 N -0.89 2.99 -0.22 2.92 2.01 -1.26 -1.47 115.64 119.72 2pcf s THR 127 Ca 0.14 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 2pcf s THR 127 Cb -0.11 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 2pcf s THR 127 CO 0.04 0.28 0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 2pcf s PHE 128 N 1.37 3.32 -0.52 4.92 0.40 -0.31 -4.78 117.98 122.38 2pcf s PHE 128 Ca 0.02 0.19 -0.25 0.00 -0.60 0.00 0.00 56.93 56.30 2pcf s PHE 128 Cb -0.16 -2.20 0.03 0.00 0.51 0.00 0.00 43.02 41.21 2pcf s PHE 128 CO -0.05 0.13 0.95 -1.25 0.70 0.00 0.00 175.22 175.70 2pcf s PRO 129 N 0.74 3.43 0.10 0.24 0.04 -1.26 -0.86 135.00 137.43 2pcf s PRO 129 Ca 0.07 -0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.10 2pcf s PRO 129 Cb -0.13 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2pcf s PRO 129 CO 0.02 -1.39 0.04 0.42 0.04 0.00 0.00 177.00 176.13 2pcf s ILE 130 N 3.94 4.23 -0.22 0.56 -1.09 -0.36 -0.77 121.20 127.49 2pcf s ILE 130 Ca 0.34 -0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 2pcf s ILE 130 Cb -0.11 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 2pcf s ILE 130 CO 0.23 0.07 0.02 -0.22 -1.23 0.00 0.00 174.94 173.81 2pcf s LEU 131 N -2.50 3.31 0.34 2.97 2.96 -0.08 -1.05 118.68 124.63 2pcf s LEU 131 Ca 0.28 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.72 2pcf s LEU 131 Cb -0.11 -1.86 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 2pcf s LEU 131 CO 0.20 0.03 1.03 0.00 -1.32 0.00 0.00 176.35 176.29 2pcf s ALA 132 N 1.23 3.21 0.97 5.97 0.00 -0.42 -3.27 121.76 129.46 2pcf s ALA 132 Ca 0.04 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 2pcf s ALA 132 Cb -0.15 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2pcf s ALA 132 CO 0.02 -0.09 1.20 -1.25 0.00 0.00 0.00 175.76 175.64 2pcf s PRO 133 N -2.04 0.59 -0.11 0.00 0.04 -1.26 -1.86 135.00 130.36 2pcf s PRO 133 Ca 0.52 -0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2pcf s PRO 133 Cb -0.24 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2pcf s PRO 133 CO 0.30 -2.50 -0.20 0.34 0.04 0.00 0.00 177.00 174.98 2pcf s ASP 134 N -4.36 2.78 0.07 6.66 -1.08 -1.26 -2.75 116.67 116.72 2pcf s ASP 134 Ca 0.68 -0.51 -0.18 0.00 -0.52 0.00 0.00 52.55 52.03 2pcf s ASP 134 Cb -0.10 -1.27 -0.11 0.00 -1.46 0.00 0.00 42.92 39.99 2pcf s ASP 134 CO 0.53 0.09 1.40 1.55 0.52 0.00 0.00 175.17 179.26 2pcf h PRO 135 N 7.08 0.52 0.00 4.34 0.13 -1.81 -1.21 132.00 141.04 2pcf h PRO 135 Ca -0.27 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2pcf h PRO 135 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pcf h PRO 135 CO 0.50 0.83 0.00 0.00 -0.23 0.00 0.00 178.00 179.10 2pcf n ALA 136 N -2.44 1.97 -0.01 -0.56 0.00 -1.26 -1.46 120.51 116.75 2pcf n ALA 136 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2pcf n ALA 136 Cb 0.39 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2pcf n ALA 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2pcf n THR 137 N -0.95 0.00 -3.39 0.00 -1.04 -0.93 -4.96 114.28 103.01 2pcf n THR 137 Ca 0.09 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 2pcf n THR 137 Cb 0.04 1.01 -0.09 0.00 -1.82 0.00 0.00 70.33 69.46 2pcf n THR 137 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2pcf s ASN 138 N -0.66 0.62 0.00 8.00 3.84 -0.50 -4.97 114.94 121.27 2pcf s ASN 138 Ca 0.00 0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.22 2pcf s ASN 138 Cb 0.00 0.89 0.66 0.00 -0.55 0.00 0.00 41.25 42.25 2pcf s ASN 138 CO 0.00 -0.31 1.20 0.29 -2.79 0.00 0.00 177.10 175.49 2pcf n LYS 139 N 5.35 0.28 -0.01 0.43 5.02 -1.26 -2.56 118.16 125.42 2pcf n LYS 139 Ca -0.04 0.08 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 2pcf n LYS 139 Cb 0.50 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 2pcf n LYS 139 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2pcf n ASP 140 N -1.13 0.76 -4.85 4.39 9.92 -1.26 -4.92 116.55 119.46 2pcf n ASP 140 Ca 0.07 -0.38 -0.36 0.00 -0.53 0.00 0.00 54.79 53.60 2pcf n ASP 140 Cb 0.06 1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 42.00 2pcf n ASP 140 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pcf s VAL 141 N -3.07 5.02 0.15 2.53 1.01 -1.06 -5.07 120.40 119.90 2pcf s VAL 141 Ca -0.01 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 2pcf s VAL 141 Cb 0.13 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2pcf s VAL 141 CO 0.77 0.42 0.18 -1.00 0.00 0.00 0.00 175.10 175.47 2pcf s HIS 142 N -1.26 0.61 -0.20 5.22 3.76 -1.26 -4.61 115.29 117.56 2pcf s HIS 142 Ca 0.29 -0.98 -0.29 0.00 -0.15 0.00 0.00 55.06 53.93 2pcf s HIS 142 Cb -0.15 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 2pcf s HIS 142 CO 0.16 -0.63 1.49 -0.06 -0.85 0.00 0.00 174.74 174.85 2pcf s PHE 143 N -4.01 2.35 -0.01 1.40 0.08 -1.26 -4.83 117.98 111.69 2pcf s PHE 143 Ca 0.20 0.64 -0.29 0.00 0.12 0.00 0.00 56.93 57.61 2pcf s PHE 143 Cb 0.05 -3.86 0.10 0.00 -0.57 0.00 0.00 43.02 38.75 2pcf s PHE 143 CO 0.01 -2.60 1.28 -0.51 -0.10 0.00 0.00 175.22 173.30 2pcf s LEU 144 N 4.49 -0.01 -0.10 -0.37 1.43 -1.17 -4.97 118.68 117.99 2pcf s LEU 144 Ca 0.65 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.33 2pcf s LEU 144 Cb -0.24 1.35 -0.03 0.00 0.03 0.00 0.00 46.19 47.29 2pcf s LEU 144 CO 0.25 -0.30 0.70 -0.54 0.23 0.00 0.00 176.35 176.69 2pcf s LYS 145 N -2.15 4.39 0.08 1.70 1.02 -1.26 -1.76 119.74 121.76 2pcf s LYS 145 Ca 0.24 0.85 0.08 0.00 0.02 0.00 0.00 55.97 57.16 2pcf s LYS 145 Cb 0.01 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2pcf s LYS 145 CO -0.02 -0.01 -0.21 0.71 -0.92 0.00 0.00 175.35 174.90 2pcf s TYR 146 N 1.08 1.78 0.31 3.18 2.02 -0.36 -4.93 117.35 120.43 2pcf s TYR 146 Ca 0.36 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.45 2pcf s TYR 146 Cb -0.17 -1.02 -0.09 0.00 -0.40 0.00 0.00 41.96 40.28 2pcf s TYR 146 CO 0.16 0.15 0.84 -1.25 -1.57 0.00 0.00 175.55 173.89 2pcf s PRO 147 N -1.58 4.32 -0.07 -1.71 0.04 -1.26 -0.54 135.00 134.19 2pcf s PRO 147 Ca 0.07 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.15 2pcf s PRO 147 Cb -0.09 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.82 2pcf s PRO 147 CO 0.03 0.23 -0.08 0.42 0.04 0.00 0.00 177.00 177.65 2pcf s ILE 148 N -1.76 0.88 -0.01 0.56 1.01 0.55 -4.17 121.20 118.26 2pcf s ILE 148 Ca 0.51 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.94 2pcf s ILE 148 Cb -0.15 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 2pcf s ILE 148 CO 0.20 0.32 -0.21 -0.31 0.00 0.00 0.00 174.94 174.93 2pcf s TYR 149 N 1.10 2.47 0.03 3.97 2.02 -0.59 -1.30 117.35 125.04 2pcf s TYR 149 Ca -0.07 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2pcf s TYR 149 Cb -0.14 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2pcf s TYR 149 CO -0.01 0.09 -0.08 0.54 -1.57 0.00 0.00 175.55 174.52 2pcf s VAL 150 N -0.72 0.61 -0.07 0.71 0.11 -1.04 -0.39 120.40 119.61 2pcf s VAL 150 Ca 0.11 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 2pcf s VAL 150 Cb -0.10 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2pcf s VAL 150 CO 0.01 -0.17 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.58 2pcf s GLY 151 N -1.08 1.13 -0.05 6.54 0.00 -0.59 -1.26 107.32 112.02 2pcf s GLY 151 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.88 2pcf s GLY 151 CO 0.00 -0.34 -0.11 -0.32 0.00 0.00 0.00 173.10 172.33 2pcf s GLY 152 N 0.19 0.70 0.07 0.20 0.00 -0.59 -1.67 107.32 106.23 2pcf s GLY 152 Ca -0.11 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.26 2pcf s GLY 152 CO 0.05 -0.01 -0.13 0.21 0.00 0.00 0.00 173.10 173.22 2pcf s ASN 153 N 0.41 1.58 -0.12 1.64 3.84 -0.89 -1.24 114.94 120.17 2pcf s ASN 153 Ca -0.09 -0.62 -0.04 0.00 0.21 0.00 0.00 52.86 52.32 2pcf s ASN 153 Cb -0.13 -0.04 0.06 0.00 -0.55 0.00 0.00 41.25 40.60 2pcf s ASN 153 CO 0.02 -0.10 0.24 0.00 -2.79 0.00 0.00 177.10 174.47 2pcf s ARG 154 N -1.78 0.12 0.00 0.43 3.03 -0.99 -1.61 118.95 118.15 2pcf s ARG 154 Ca -0.02 0.70 0.00 0.00 2.03 0.00 0.00 55.73 58.43 2pcf s ARG 154 Cb -0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 34.95 33.71 2pcf s ARG 154 CO 0.02 -0.30 0.00 0.41 -1.13 0.00 0.00 175.30 174.30 2pcf n GLY 155 N 5.34 3.02 3.77 3.88 0.00 -0.66 -1.62 105.19 118.93 2pcf n GLY 155 Ca -0.06 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2pcf n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pcf s ARG 156 N -2.80 4.45 0.81 1.61 0.52 -1.26 -4.87 118.95 117.41 2pcf s ARG 156 Ca 0.00 1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 56.59 2pcf s ARG 156 Cb 0.00 -2.80 0.08 0.00 0.52 0.00 0.00 34.95 32.74 2pcf s ARG 156 CO 0.00 0.12 1.13 0.20 0.02 0.00 0.00 175.30 176.78 2pcf s GLY 157 N -1.43 1.60 -0.16 -3.53 0.00 -1.26 -4.93 107.32 97.61 2pcf s GLY 157 Ca 0.51 -0.46 0.17 0.00 0.00 0.00 0.00 44.72 44.95 2pcf s GLY 157 CO 0.29 0.00 0.13 -1.06 0.00 0.00 0.00 173.10 172.46 2pcf n GLN 158 N -3.38 0.86 -4.66 2.90 3.00 -0.75 -4.62 117.38 110.73 2pcf n GLN 158 Ca 0.07 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 2pcf n GLN 158 Cb 0.59 -1.49 -0.12 0.00 0.00 0.00 0.00 30.24 29.22 2pcf n GLN 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2pcf s ILE 159 N -2.62 3.30 0.71 5.09 1.01 -1.22 -0.46 121.20 127.01 2pcf s ILE 159 Ca -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2pcf s ILE 159 Cb 0.07 -2.37 0.13 0.00 0.01 0.00 0.00 42.46 40.30 2pcf s ILE 159 CO 0.79 0.47 0.98 -0.31 0.00 0.00 0.00 174.94 176.87 2pcf s TYR 160 N -0.88 1.34 0.12 3.97 2.02 0.93 -4.80 117.35 120.04 2pcf s TYR 160 Ca 0.14 -0.44 0.31 0.00 -0.37 0.00 0.00 57.07 56.71 2pcf s TYR 160 Cb -0.11 -2.82 1.24 0.00 -0.40 0.00 0.00 41.96 39.87 2pcf s TYR 160 CO 0.04 -1.70 1.94 -1.00 -1.57 0.00 0.00 175.55 173.27 2pcf h PRO 161 N -0.44 0.00 -0.02 -1.71 0.13 -1.99 -2.81 132.00 125.17 2pcf h PRO 161 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2pcf h PRO 161 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2pcf h PRO 161 CO 0.38 0.06 -0.18 -0.40 -0.23 0.00 0.00 178.00 177.64 2pcf n ASP 162 N -3.19 1.69 0.00 1.44 5.75 -1.26 -4.92 116.55 116.05 2pcf n ASP 162 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2pcf n ASP 162 Cb 0.34 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2pcf n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pcf n GLY 163 N 1.31 0.66 3.78 6.12 0.00 -1.06 -5.06 105.19 110.94 2pcf n GLY 163 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2pcf n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pcf s SER 164 N -2.71 7.34 0.53 1.61 0.01 -1.26 -4.75 113.70 114.47 2pcf s SER 164 Ca 0.00 1.77 -0.12 0.00 1.31 0.00 0.00 55.95 58.91 2pcf s SER 164 Cb 0.00 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2pcf s SER 164 CO 0.00 0.00 0.94 -0.54 0.41 0.00 0.00 173.24 174.05 2pcf s LYS 165 N -1.85 3.74 0.27 12.44 1.02 -1.26 -0.05 119.74 134.05 2pcf s LYS 165 Ca 0.47 0.71 0.04 0.00 0.02 0.00 0.00 55.97 57.21 2pcf s LYS 165 Cb -0.20 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.97 2pcf s LYS 165 CO 0.25 -0.33 0.37 -1.13 -0.92 0.00 0.00 175.35 173.58 2pcf n SER 166 N -2.04 1.06 -0.58 2.83 3.41 0.39 -4.84 113.62 113.84 2pcf n SER 166 Ca 0.05 -1.74 0.05 0.00 -0.26 0.00 0.00 58.87 56.97 2pcf n SER 166 Cb 0.54 -0.19 0.13 0.00 -0.26 0.00 0.00 64.21 64.44 2pcf n SER 166 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pcf n ASN 167 N -2.63 1.68 -2.34 4.04 6.94 -1.26 -4.08 115.26 117.61 2pcf n ASN 167 Ca 0.07 -2.02 -0.33 0.00 -0.02 0.00 0.00 54.58 52.28 2pcf n ASN 167 Cb 0.28 -0.22 0.06 0.00 -2.36 0.00 0.00 39.78 37.54 2pcf n ASN 167 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2pcf n ASN 168 N 0.37 7.08 -3.66 0.53 2.85 -1.26 -4.87 115.26 116.30 2pcf n ASN 168 Ca 0.10 -3.79 -0.11 0.00 -0.11 0.00 0.00 54.58 50.68 2pcf n ASN 168 Cb 0.27 -0.85 -0.04 0.00 1.24 0.00 0.00 39.78 40.40 2pcf n ASN 168 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2pcf s THR 169 N -4.83 0.00 0.40 -0.44 -1.32 -1.26 -4.46 115.64 103.74 2pcf s THR 169 Ca 0.60 -1.42 -0.23 0.00 -1.21 0.00 0.00 61.69 59.43 2pcf s THR 169 Cb 0.48 -2.41 -0.09 0.00 -1.51 0.00 0.00 72.50 68.97 2pcf s THR 169 CO -0.05 0.00 1.02 -0.69 -2.21 0.00 0.00 174.62 172.69 2pcf s VAL 170 N -3.54 3.90 -0.24 5.08 1.01 -1.26 -4.64 120.40 120.70 2pcf s VAL 170 Ca 0.24 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.54 2pcf s VAL 170 Cb -0.01 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2pcf s VAL 170 CO 0.13 -0.05 0.05 -0.31 0.00 0.00 0.00 175.10 174.91 2pcf s TYR 171 N -1.77 3.06 -0.01 5.22 1.51 -1.26 -5.02 117.35 119.07 2pcf s TYR 171 Ca 0.59 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 2pcf s TYR 171 Cb -0.19 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 2pcf s TYR 171 CO 0.24 -0.40 0.03 -0.80 -1.11 0.00 0.00 175.55 173.51 2pcf s ASN 172 N 1.59 5.34 0.19 2.29 0.01 -1.26 0.44 114.94 123.53 2pcf s ASN 172 Ca 0.06 0.07 -0.32 0.00 -0.71 0.00 0.00 52.86 51.96 2pcf s ASN 172 Cb -0.15 -1.46 -0.11 0.00 0.41 0.00 0.00 41.25 39.94 2pcf s ASN 172 CO 0.02 0.29 1.64 0.00 -1.51 0.00 0.00 177.10 177.54 2pcf s ALA 173 N -1.10 3.86 -1.72 0.60 0.00 0.04 -4.83 121.76 118.60 2pcf s ALA 173 Ca 0.20 1.48 0.30 0.00 0.00 0.00 0.00 51.96 53.94 2pcf s ALA 173 Cb -0.12 -3.66 1.65 0.00 0.00 0.00 0.00 23.12 20.99 2pcf s ALA 173 CO 0.11 -0.85 2.08 0.25 0.00 0.00 0.00 175.76 177.34 2pcf n THR 174 N 3.93 0.02 -3.56 0.00 -2.24 -1.26 -1.00 114.28 110.17 2pcf n THR 174 Ca 0.15 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 2pcf n THR 174 Cb 0.37 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2pcf n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pcf s ALA 175 N -2.28 -1.85 0.95 6.98 0.00 -1.26 -4.86 121.76 119.44 2pcf s ALA 175 Ca 0.37 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 2pcf s ALA 175 Cb 0.20 -0.49 0.18 0.00 0.00 0.00 0.00 23.12 23.01 2pcf s ALA 175 CO 0.40 -0.33 1.26 0.20 0.00 0.00 0.00 175.76 177.29 2pcf s GLY 176 N -0.92 1.71 0.00 0.00 0.00 -1.26 -4.44 107.32 102.41 2pcf s GLY 176 Ca -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2pcf s GLY 176 CO 0.05 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.44 2pcf n GLY 177 N -3.31 0.79 3.53 0.20 0.00 0.39 -4.07 105.19 102.72 2pcf n GLY 177 Ca 0.13 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 2pcf n GLY 177 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pcf s ILE 178 N -1.67 3.43 -0.15 -0.61 2.07 -1.06 0.29 121.20 123.49 2pcf s ILE 178 Ca 0.00 -0.58 -0.29 0.00 -1.41 0.00 0.00 60.65 58.37 2pcf s ILE 178 Cb 0.00 -2.38 -0.02 0.00 0.13 0.00 0.00 42.46 40.18 2pcf s ILE 178 CO 0.00 0.59 1.40 -0.63 -1.91 0.00 0.00 174.94 174.39 2pcf s ILE 179 N -0.74 4.04 -0.06 2.00 1.01 -0.36 -1.14 121.20 125.95 2pcf s ILE 179 Ca 0.11 1.24 0.09 0.00 0.00 0.00 0.00 60.65 62.10 2pcf s ILE 179 Cb -0.11 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.28 2pcf s ILE 179 CO 0.01 -0.16 0.60 -1.54 0.00 0.00 0.00 174.94 173.85 2pcf n SER 180 N 7.00 1.07 -3.61 3.58 3.41 0.17 -0.55 113.62 124.68 2pcf n SER 180 Ca 0.15 0.37 -0.16 0.00 -0.26 0.00 0.00 58.87 58.98 2pcf n SER 180 Cb 0.44 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2pcf n SER 180 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2pcf s LYS 181 N -2.59 0.92 -0.31 4.33 2.20 -1.23 -4.77 119.74 118.30 2pcf s LYS 181 Ca -0.08 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2pcf s LYS 181 Cb 0.08 0.43 0.10 0.00 -1.51 0.00 0.00 37.83 36.92 2pcf s LYS 181 CO 0.82 -0.29 0.07 0.42 -0.36 0.00 0.00 175.35 176.01 2pcf s ILE 182 N -1.49 1.23 -0.59 5.43 1.01 -1.26 -1.10 121.20 124.43 2pcf s ILE 182 Ca -0.11 -1.56 -0.24 0.00 0.00 0.00 0.00 60.65 58.74 2pcf s ILE 182 Cb -0.02 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.62 2pcf s ILE 182 CO 0.06 -0.59 0.97 -0.22 0.00 0.00 0.00 174.94 175.15 2pcf s LEU 183 N 1.45 4.12 -0.06 2.97 2.96 0.50 -4.93 118.68 125.69 2pcf s LEU 183 Ca 0.08 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 2pcf s LEU 183 Cb -0.18 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2pcf s LEU 183 CO -0.19 -1.32 1.50 -0.13 -1.32 0.00 0.00 176.35 174.89 2pcf s ARG 184 N 4.09 4.22 0.43 1.98 0.52 -1.26 -1.82 118.95 127.11 2pcf s ARG 184 Ca 0.29 2.02 -0.23 0.00 -0.52 0.00 0.00 55.73 57.29 2pcf s ARG 184 Cb -0.13 -3.81 -0.08 0.00 0.52 0.00 0.00 34.95 31.44 2pcf s ARG 184 CO 0.17 -0.74 1.11 0.15 0.02 0.00 0.00 175.30 176.00 2pcf s LYS 185 N 3.43 3.95 0.09 3.54 -0.14 0.08 -4.98 119.74 125.70 2pcf s LYS 185 Ca 0.67 1.64 -0.26 0.00 -1.36 0.00 0.00 55.97 56.66 2pcf s LYS 185 Cb -0.31 -2.46 -0.15 0.00 -1.68 0.00 0.00 37.83 33.23 2pcf s LYS 185 CO 0.26 -0.36 1.70 1.49 -0.76 0.00 0.00 175.35 177.68 2pcf h GLU 186 N 2.24 -0.26 -0.65 1.68 4.81 -1.93 -2.74 114.58 117.73 2pcf h GLU 186 Ca -0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2pcf h GLU 186 Cb 1.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2pcf h GLU 186 CO 0.61 -0.17 0.00 1.17 -0.73 0.00 0.00 179.01 179.89 2pcf n LYS 187 N -5.22 3.34 0.00 1.92 3.00 -1.26 -5.01 118.16 114.94 2pcf n LYS 187 Ca -0.09 -2.16 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 2pcf n LYS 187 Cb 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.30 2pcf n LYS 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pcf n GLY 188 N 0.72 2.80 0.00 3.14 0.00 -1.03 -5.00 105.19 105.81 2pcf n GLY 188 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2pcf n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcf n GLY 189 N 0.42 1.10 3.22 -0.02 0.00 -1.26 -4.53 105.19 104.11 2pcf n GLY 189 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 2pcf n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pcf s TYR 190 N -1.64 0.00 -0.22 1.61 2.02 0.03 -0.74 117.35 118.42 2pcf s TYR 190 Ca 0.00 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 2pcf s TYR 190 Cb 0.00 0.02 0.04 0.00 -0.40 0.00 0.00 41.96 41.63 2pcf s TYR 190 CO 0.00 -0.49 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.15 2pcf s GLU 191 N -2.88 2.32 -0.21 -0.62 2.02 -0.75 -0.41 118.70 118.16 2pcf s GLU 191 Ca -0.03 -1.01 -0.06 0.00 0.02 0.00 0.00 54.97 53.89 2pcf s GLU 191 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 2pcf s GLU 191 CO -0.06 -0.43 0.02 0.42 0.02 0.00 0.00 175.26 175.23 2pcf s ILE 192 N 1.27 4.06 -0.26 -1.63 1.01 0.29 -0.37 121.20 125.57 2pcf s ILE 192 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 2pcf s ILE 192 Cb -0.17 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2pcf s ILE 192 CO -0.08 0.41 0.34 -0.89 0.00 0.00 0.00 174.94 174.72 2pcf s THR 193 N 1.10 5.20 -0.16 2.92 2.01 -0.26 -0.29 115.64 126.16 2pcf s THR 193 Ca 0.03 0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 2pcf s THR 193 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2pcf s THR 193 CO 0.02 0.19 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.44 2pcf s ILE 194 N 1.85 3.47 -0.61 1.82 1.01 0.16 -0.66 121.20 128.23 2pcf s ILE 194 Ca 0.14 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2pcf s ILE 194 Cb -0.15 -2.52 0.13 0.00 0.01 0.00 0.00 42.46 39.93 2pcf s ILE 194 CO 0.09 0.48 0.65 -0.69 0.00 0.00 0.00 174.94 175.47 2pcf s VAL 195 N 0.65 5.07 -1.19 2.92 1.01 -0.29 -1.32 120.40 127.25 2pcf s VAL 195 Ca -0.04 -1.41 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 2pcf s VAL 195 Cb -0.15 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2pcf s VAL 195 CO 0.02 -1.03 1.76 -0.62 0.00 0.00 0.00 175.10 175.24 2pcf s ASP 196 N 3.44 6.14 0.65 3.32 -1.08 0.65 -2.55 116.67 127.24 2pcf s ASP 196 Ca 0.10 -1.92 0.41 0.00 -0.52 0.00 0.00 52.55 50.62 2pcf s ASP 196 Cb -0.24 -2.58 2.29 0.00 -1.46 0.00 0.00 42.92 40.93 2pcf s ASP 196 CO 0.02 -1.89 2.34 0.00 0.52 0.00 0.00 175.17 176.16 2pcf h ALA 197 N 8.84 1.13 -0.23 3.66 0.00 -1.84 0.59 119.26 131.41 2pcf h ALA 197 Ca 0.31 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2pcf h ALA 197 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pcf h ALA 197 CO 1.37 -0.01 -0.43 0.77 0.00 0.00 0.00 179.25 180.94 2pcf h SER 198 N 0.00 0.78 -0.51 0.00 0.02 -1.92 -3.22 113.55 108.69 2pcf h SER 198 Ca 0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2pcf h SER 198 Cb 0.03 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2pcf h SER 198 CO -0.00 1.17 0.00 0.59 -1.14 0.00 0.00 176.83 177.45 2pcf n ASN 199 N -4.18 3.42 -3.80 3.07 3.02 -0.88 -4.95 115.26 110.95 2pcf n ASN 199 Ca -0.05 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.27 2pcf n ASN 199 Cb 0.56 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 2pcf n ASN 199 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pcf n GLU 200 N 1.15 -5.20 -4.25 3.52 1.02 0.15 -4.97 120.64 112.06 2pcf n GLU 200 Ca 0.18 0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 57.75 2pcf n GLU 200 Cb 0.53 -5.31 -0.13 0.00 -0.02 0.00 0.00 31.44 26.51 2pcf n GLU 200 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2pcf s ARG 201 N -6.29 0.80 -0.10 3.49 3.52 -0.97 -5.00 118.95 114.40 2pcf s ARG 201 Ca 0.30 -0.76 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 2pcf s ARG 201 Cb -0.15 -0.76 -0.03 0.00 -1.56 0.00 0.00 34.95 32.45 2pcf s ARG 201 CO 0.82 0.18 -0.08 -1.14 -0.81 0.00 0.00 175.30 174.27 2pcf s GLN 202 N -1.27 3.12 0.06 5.12 0.74 -1.26 -0.25 119.66 125.92 2pcf s GLN 202 Ca -0.01 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 54.87 2pcf s GLN 202 Cb -0.08 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 2pcf s GLN 202 CO 0.01 0.44 -0.15 0.14 -0.55 0.00 0.00 175.29 175.18 2pcf s VAL 203 N -0.21 1.22 -0.30 1.34 -7.23 -0.43 -4.97 120.40 109.82 2pcf s VAL 203 Ca 0.02 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2pcf s VAL 203 Cb -0.13 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.72 2pcf s VAL 203 CO 0.03 -0.09 0.00 -0.63 -0.31 0.00 0.00 175.10 174.10 2pcf s ILE 204 N -1.07 3.08 -0.22 -0.62 1.01 -1.26 -0.67 121.20 121.45 2pcf s ILE 204 Ca 0.01 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 2pcf s ILE 204 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2pcf s ILE 204 CO 0.02 -0.07 0.48 -1.81 0.00 0.00 0.00 174.94 173.56 2pcf s ASP 205 N 1.28 6.47 -0.21 3.58 1.11 0.60 -4.88 116.67 124.62 2pcf s ASP 205 Ca -0.04 0.57 -0.13 0.00 0.18 0.00 0.00 52.55 53.13 2pcf s ASP 205 Cb -0.19 -2.27 -0.05 0.00 1.07 0.00 0.00 42.92 41.48 2pcf s ASP 205 CO -0.01 -0.18 0.25 -0.63 1.18 0.00 0.00 175.17 175.78 2pcf s ILE 206 N 1.75 5.31 -0.11 0.77 1.01 -1.26 -0.55 121.20 128.12 2pcf s ILE 206 Ca 0.21 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2pcf s ILE 206 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2pcf s ILE 206 CO 0.09 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.62 2pcf s ILE 207 N 0.89 3.16 0.85 2.92 1.01 0.45 -4.98 121.20 125.51 2pcf s ILE 207 Ca 0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2pcf s ILE 207 Cb -0.13 -2.31 0.10 0.00 0.01 0.00 0.00 42.46 40.13 2pcf s ILE 207 CO 0.04 0.54 1.12 -2.16 0.00 0.00 0.00 174.94 174.48 2pcf s PRO 208 N 0.04 1.66 0.44 2.79 0.04 -1.26 -0.79 135.00 137.92 2pcf s PRO 208 Ca -0.04 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 61.23 2pcf s PRO 208 Cb -0.14 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2pcf s PRO 208 CO 0.04 -1.87 0.96 -0.98 0.04 0.00 0.00 177.00 175.19 2pcf s ARG 209 N -5.24 4.17 0.00 4.56 1.70 -1.26 -3.79 118.95 119.09 2pcf s ARG 209 Ca 0.62 1.16 0.00 0.00 -0.47 0.00 0.00 55.73 57.04 2pcf s ARG 209 Cb -0.14 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.06 2pcf s ARG 209 CO 0.53 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 175.07 2pcf n GLY 210 N -0.56 0.27 3.48 3.88 0.00 -1.26 -4.30 105.19 106.71 2pcf n GLY 210 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2pcf n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pcf s LEU 211 N 0.00 2.75 -0.16 0.99 1.43 -1.25 -4.99 118.68 117.45 2pcf s LEU 211 Ca 0.00 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2pcf s LEU 211 Cb 0.00 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2pcf s LEU 211 CO 0.00 0.35 -0.04 -1.83 0.23 0.00 0.00 176.35 175.06 2pcf s GLU 212 N -0.73 3.63 0.38 1.70 -1.05 -1.26 -4.94 118.70 116.43 2pcf s GLU 212 Ca 0.11 -0.54 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 2pcf s GLU 212 Cb -0.11 -2.93 -0.08 0.00 -0.44 0.00 0.00 34.13 30.58 2pcf s GLU 212 CO 0.01 0.18 0.79 -0.51 0.95 0.00 0.00 175.26 176.67 2pcf s LEU 213 N 0.53 3.91 -0.43 1.83 1.43 -1.26 -1.65 118.68 123.03 2pcf s LEU 213 Ca -0.03 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.37 2pcf s LEU 213 Cb -0.14 -4.12 0.46 0.00 0.03 0.00 0.00 46.19 42.41 2pcf s LEU 213 CO 0.03 -0.34 1.50 0.18 0.23 0.00 0.00 176.35 177.95 2pcf n LEU 214 N -0.92 5.93 -4.18 1.79 4.77 -0.42 -4.86 117.00 119.10 2pcf n LEU 214 Ca 0.04 -4.57 -0.20 0.00 -0.03 0.00 0.00 56.01 51.25 2pcf n LEU 214 Cb 0.54 -0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2pcf n LEU 214 CO 0.44 1.86 -0.47 0.68 -1.33 0.00 0.00 177.39 178.57 2pcf s VAL 215 N -4.66 1.23 0.17 4.08 -7.23 -1.26 -4.97 120.40 107.77 2pcf s VAL 215 Ca 0.56 -1.20 0.09 0.00 -1.81 0.00 0.00 61.98 59.62 2pcf s VAL 215 Cb 0.45 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2pcf s VAL 215 CO 0.02 -0.08 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.10 2pcf s SER 216 N -1.47 2.86 0.43 4.85 0.01 -1.26 -5.09 113.70 114.02 2pcf s SER 216 Ca 0.01 -0.86 -0.26 0.00 1.31 0.00 0.00 55.95 56.15 2pcf s SER 216 Cb -0.09 -0.18 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 2pcf s SER 216 CO 0.02 0.00 1.46 -1.61 0.41 0.00 0.00 173.24 173.52 2pcf s GLU 217 N -2.76 3.81 0.00 12.44 2.02 -1.26 -2.05 118.70 130.90 2pcf s GLU 217 Ca 0.17 2.49 0.00 0.00 0.02 0.00 0.00 54.97 57.65 2pcf s GLU 217 Cb -0.06 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2pcf s GLU 217 CO 0.07 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.02 2pcf n GLY 218 N 0.53 0.62 3.86 -1.39 0.00 0.29 -4.99 105.19 104.12 2pcf n GLY 218 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2pcf n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pcf s GLU 219 N -0.19 3.79 -0.18 1.61 2.12 -0.87 -4.79 118.70 120.19 2pcf s GLU 219 Ca 0.00 0.22 -0.23 0.00 0.36 0.00 0.00 54.97 55.33 2pcf s GLU 219 Cb 0.00 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 2pcf s GLU 219 CO 0.00 0.54 0.72 -1.12 -0.54 0.00 0.00 175.26 174.85 2pcf s SER 220 N -1.79 6.81 0.10 -1.70 0.01 -1.26 -1.22 113.70 114.64 2pcf s SER 220 Ca 0.34 0.98 0.09 0.00 1.31 0.00 0.00 55.95 58.68 2pcf s SER 220 Cb -0.14 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2pcf s SER 220 CO 0.19 -0.32 -0.19 -0.51 0.41 0.00 0.00 173.24 172.81 2pcf s ILE 221 N 1.99 2.76 0.38 1.44 1.10 0.14 -4.97 121.20 124.03 2pcf s ILE 221 Ca 0.33 -1.44 0.07 0.00 -0.51 0.00 0.00 60.65 59.10 2pcf s ILE 221 Cb -0.16 -2.23 -0.01 0.00 0.15 0.00 0.00 42.46 40.22 2pcf s ILE 221 CO 0.11 0.17 0.47 -0.54 -2.11 0.00 0.00 174.94 173.05 2pcf s LYS 222 N -1.92 2.89 0.30 3.50 1.02 -1.26 -0.46 119.74 123.80 2pcf s LYS 222 Ca 0.16 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 2pcf s LYS 222 Cb -0.10 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.40 2pcf s LYS 222 CO 0.08 -0.09 1.37 -1.17 -0.92 0.00 0.00 175.35 174.63 2pcf s LEU 223 N -4.21 4.40 0.00 3.17 2.96 -1.26 -2.00 118.68 121.73 2pcf s LEU 223 Ca 0.49 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.10 2pcf s LEU 223 Cb -0.08 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2pcf s LEU 223 CO 0.31 -0.63 0.00 -0.67 -1.32 0.00 0.00 176.35 174.04 2pcf n ASP 224 N 1.43 0.00 -4.77 3.68 -0.08 -0.17 -4.92 116.55 111.71 2pcf n ASP 224 Ca 0.03 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.90 2pcf n ASP 224 Cb 0.41 -0.09 -0.00 0.00 2.34 0.00 0.00 41.12 43.78 2pcf n ASP 224 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2pcf s GLN 225 N -0.03 4.07 0.10 -0.67 0.74 -0.85 -4.50 119.66 118.53 2pcf s GLN 225 Ca 0.00 2.46 -0.31 0.00 0.05 0.00 0.00 55.36 57.56 2pcf s GLN 225 Cb 0.00 -2.92 -0.08 0.00 1.10 0.00 0.00 33.01 31.11 2pcf s GLN 225 CO 0.00 -0.52 1.50 -1.25 -0.55 0.00 0.00 175.29 174.47 2pcf s PRO 226 N -2.12 4.26 -0.09 1.67 0.04 -1.26 -0.78 135.00 136.72 2pcf s PRO 226 Ca 0.54 2.20 0.15 0.00 0.04 0.00 0.00 61.00 63.93 2pcf s PRO 226 Cb -0.44 -3.34 -0.23 0.00 0.04 0.00 0.00 34.50 30.52 2pcf s PRO 226 CO 0.59 -0.57 0.47 1.28 0.04 0.00 0.00 177.00 178.81 2pcf n LEU 227 N 4.51 0.55 -4.33 -3.56 4.77 0.17 -4.87 117.00 114.24 2pcf n LEU 227 Ca 0.13 0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 56.19 2pcf n LEU 227 Cb 0.41 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 2pcf n LEU 227 CO 0.60 0.39 -0.20 0.42 -1.33 0.00 0.00 177.39 177.27 2pcf s THR 228 N -2.62 0.34 0.81 -5.08 -4.23 -1.23 -1.30 115.64 102.33 2pcf s THR 228 Ca -0.06 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 2pcf s THR 228 Cb 0.08 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.47 2pcf s THR 228 CO 0.83 0.00 1.10 -0.44 -0.54 0.00 0.00 174.62 175.57 2pcf s SER 229 N -3.36 4.38 -0.39 3.99 0.01 -0.66 -4.61 113.70 113.06 2pcf s SER 229 Ca 0.36 1.24 -0.21 0.00 1.31 0.00 0.00 55.95 58.64 2pcf s SER 229 Cb 0.05 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.35 2pcf s SER 229 CO 0.17 -2.03 0.69 0.21 0.41 0.00 0.00 173.24 172.69 2pcf s ASN 230 N -3.96 6.42 -0.08 2.44 3.84 -1.26 -4.65 114.94 117.69 2pcf s ASN 230 Ca 0.61 0.02 0.04 0.00 0.21 0.00 0.00 52.86 53.74 2pcf s ASN 230 Cb -0.14 -2.35 0.27 0.00 -0.55 0.00 0.00 41.25 38.48 2pcf s ASN 230 CO 0.54 -0.72 0.95 -0.81 -2.79 0.00 0.00 177.10 174.27 2pcf n PRO 231 N 6.28 2.23 -3.00 0.43 -0.04 -1.26 -4.89 135.00 134.75 2pcf n PRO 231 Ca 0.00 -1.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.00 2pcf n PRO 231 Cb 0.48 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2pcf n PRO 231 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2pcf s ASN 232 N -0.22 6.62 0.00 3.54 2.47 -1.26 -4.41 114.94 121.68 2pcf s ASN 232 Ca 0.18 0.61 0.09 0.00 0.42 0.00 0.00 52.86 54.16 2pcf s ASN 232 Cb 0.14 -2.38 0.19 0.00 -1.45 0.00 0.00 41.25 37.74 2pcf s ASN 232 CO 0.05 -0.56 1.05 1.33 -3.72 0.00 0.00 177.10 175.24 2pcf n VAL 233 N 5.47 0.58 -3.05 -5.21 0.24 -1.26 -5.02 118.33 110.08 2pcf n VAL 233 Ca 0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 2pcf n VAL 233 Cb 0.48 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2pcf n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pcf n GLY 234 N 0.45 3.10 3.60 7.63 0.00 -1.26 -5.01 105.19 113.70 2pcf n GLY 234 Ca 0.08 -2.12 0.01 0.00 0.00 0.00 0.00 46.02 43.99 2pcf n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pcf s GLY 235 N -1.35 -0.36 -0.03 -0.02 0.00 -0.64 -4.66 107.32 100.26 2pcf s GLY 235 Ca 0.00 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.18 2pcf s GLY 235 CO 0.00 0.40 -0.15 -0.12 0.00 0.00 0.00 173.10 173.23 2pcf s PHE 236 N -2.03 2.67 0.17 1.90 5.36 0.13 -2.35 117.98 123.82 2pcf s PHE 236 Ca 0.13 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.95 2pcf s PHE 236 Cb 0.04 -1.60 -0.05 0.00 -0.34 0.00 0.00 43.02 41.07 2pcf s PHE 236 CO -0.05 0.19 -0.05 0.20 -1.46 0.00 0.00 175.22 174.06 2pcf s GLY 237 N -0.86 1.19 0.03 13.12 0.00 -0.37 -1.07 107.32 119.36 2pcf s GLY 237 Ca 0.12 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.32 2pcf s GLY 237 CO 0.01 -1.58 -0.13 -0.86 0.00 0.00 0.00 173.10 170.55 2pcf s GLN 238 N -3.83 0.90 0.22 2.90 -2.07 -1.26 -1.54 119.66 114.99 2pcf s GLN 238 Ca 0.21 -0.66 -0.00 0.00 -1.82 0.00 0.00 55.36 53.09 2pcf s GLN 238 Cb 0.04 -0.88 -0.04 0.00 -1.09 0.00 0.00 33.01 31.04 2pcf s GLN 238 CO 0.03 0.22 0.12 0.20 -1.32 0.00 0.00 175.29 174.54 2pcf s GLY 239 N -0.92 1.56 -0.02 2.60 0.00 -0.39 -4.63 107.32 105.53 2pcf s GLY 239 Ca 0.02 -1.77 -0.13 0.00 0.00 0.00 0.00 44.72 42.85 2pcf s GLY 239 CO 0.01 -1.47 0.27 0.51 0.00 0.00 0.00 173.10 172.41 2pcf s ASP 240 N -3.22 -0.15 0.12 1.64 1.47 -1.26 -2.50 116.67 112.76 2pcf s ASP 240 Ca 0.39 0.06 -0.10 0.00 1.18 0.00 0.00 52.55 54.08 2pcf s ASP 240 Cb 0.07 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.97 2pcf s ASP 240 CO 0.13 -0.40 0.26 0.00 0.68 0.00 0.00 175.17 175.84 2pcf s ALA 241 N -1.20 -0.30 -0.04 2.11 0.00 -0.42 -4.94 121.76 116.98 2pcf s ALA 241 Ca -0.13 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.30 2pcf s ALA 241 Cb -0.06 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2pcf s ALA 241 CO 0.03 -0.58 -0.18 -2.00 0.00 0.00 0.00 175.76 173.03 2pcf s GLU 242 N -3.88 1.80 0.11 0.00 2.12 -1.26 -0.33 118.70 117.27 2pcf s GLU 242 Ca 0.08 -0.66 0.10 0.00 0.36 0.00 0.00 54.97 54.85 2pcf s GLU 242 Cb 0.04 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 2pcf s GLU 242 CO -0.08 0.30 -0.26 -1.50 -0.54 0.00 0.00 175.26 173.18 2pcf s ILE 243 N -0.11 2.13 -0.33 -3.70 2.07 0.29 -4.87 121.20 116.69 2pcf s ILE 243 Ca -0.01 -1.67 -0.07 0.00 -1.41 0.00 0.00 60.65 57.49 2pcf s ILE 243 Cb -0.11 -1.89 0.03 0.00 0.13 0.00 0.00 42.46 40.63 2pcf s ILE 243 CO 0.02 0.09 0.11 -0.69 -1.91 0.00 0.00 174.94 172.56 2pcf s VAL 244 N -1.05 3.91 -0.48 4.00 1.01 -0.66 -1.22 120.40 125.91 2pcf s VAL 244 Ca 0.12 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 2pcf s VAL 244 Cb -0.10 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2pcf s VAL 244 CO 0.05 -0.13 1.43 -0.22 0.00 0.00 0.00 175.10 176.23 2pcf s LEU 245 N 1.44 3.50 -0.03 3.92 2.96 -0.72 -1.25 118.68 128.50 2pcf s LEU 245 Ca -0.00 0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 54.42 2pcf s LEU 245 Cb -0.19 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2pcf s LEU 245 CO 0.03 -1.58 0.26 -1.58 -1.32 0.00 0.00 176.35 172.17 2pcf s GLN 246 N 5.24 3.62 0.24 1.98 0.74 0.31 -3.02 119.66 128.77 2pcf s GLN 246 Ca 0.58 0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 2pcf s GLN 246 Cb -0.12 -3.15 -0.09 0.00 1.10 0.00 0.00 33.01 30.75 2pcf s GLN 246 CO 0.29 0.70 1.14 0.34 -0.55 0.00 0.00 175.29 177.21 2pcf s ASP 247 N -1.32 7.19 0.00 6.67 2.15 -1.26 -4.23 116.67 125.87 2pcf s ASP 247 Ca 0.23 2.25 0.14 0.00 0.43 0.00 0.00 52.55 55.60 2pcf s ASP 247 Cb -0.14 -2.62 0.72 0.00 -0.30 0.00 0.00 42.92 40.59 2pcf s ASP 247 CO 0.11 -0.24 1.37 -0.81 -0.17 0.00 0.00 175.17 175.43 2pcf n PRO 248 N 1.75 0.22 0.00 4.34 -0.04 -1.26 -4.58 135.00 135.43 2pcf n PRO 248 Ca 0.01 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2pcf n PRO 248 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2pcf n PRO 248 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pcf n LEU 249 N -1.26 0.00 0.00 1.53 4.77 -1.26 -5.20 117.00 115.58 2pcf n LEU 249 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2pcf n LEU 249 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2pcf n LEU 249 CO 0.10 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.70