#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcf s ILE 2 N 0.00 4.22 -0.06 4.25 -1.09 -1.26 -5.06 121.20 122.20 3pcf s ILE 2 Ca 0.00 1.89 0.02 0.00 -2.23 0.00 0.00 60.65 60.33 3pcf s ILE 2 Cb 0.00 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 3pcf s ILE 2 CO 0.00 0.48 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.47 3pcf s GLU 3 N -1.24 1.55 0.34 2.79 0.41 -1.26 -5.14 118.70 116.16 3pcf s GLU 3 Ca 0.39 -0.38 -0.01 0.00 -0.41 0.00 0.00 54.97 54.56 3pcf s GLU 3 Cb -0.24 -1.31 0.07 0.00 -1.78 0.00 0.00 34.13 30.87 3pcf s GLU 3 CO 0.29 0.03 0.47 1.28 -0.49 0.00 0.00 175.26 176.84 3pcf n LEU 4 N 3.77 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.82 3pcf n LEU 4 Ca -0.23 -0.88 -0.38 0.00 -0.02 0.00 0.00 56.01 54.51 3pcf n LEU 4 Cb 0.52 -0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 41.98 3pcf n LEU 4 CO 0.25 -0.75 0.83 -0.76 -1.22 0.00 0.00 177.39 175.74 3pcf s LEU 5 N 0.00 4.14 0.36 2.23 1.43 -1.26 -4.97 118.68 120.61 3pcf s LEU 5 Ca 0.30 2.31 -0.26 0.00 -1.03 0.00 0.00 54.13 55.45 3pcf s LEU 5 Cb -0.02 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 3pcf s LEU 5 CO 0.20 -0.72 1.09 -2.16 0.23 0.00 0.00 176.35 174.99 3pcf s PRO 6 N -2.42 4.28 0.46 1.29 0.05 -1.26 -5.01 135.00 132.39 3pcf s PRO 6 Ca 0.59 1.66 -0.23 0.00 0.05 0.00 0.00 61.00 63.06 3pcf s PRO 6 Cb -0.29 -2.76 -0.07 0.00 0.05 0.00 0.00 34.50 31.43 3pcf s PRO 6 CO 0.37 -0.07 1.24 -2.00 0.05 0.00 0.00 177.00 176.58 3pcf s GLU 7 N -2.15 3.69 0.13 4.56 2.12 -1.26 -4.93 118.70 120.86 3pcf s GLU 7 Ca 0.54 1.96 -0.31 0.00 0.36 0.00 0.00 54.97 57.52 3pcf s GLU 7 Cb -0.27 -2.47 -0.10 0.00 0.26 0.00 0.00 34.13 31.55 3pcf s GLU 7 CO 0.34 -0.66 1.78 0.99 -0.54 0.00 0.00 175.26 177.17 3pcf s THR 8 N -1.42 2.50 0.34 -1.70 2.01 -1.26 -4.93 115.64 111.17 3pcf s THR 8 Ca 0.63 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 3pcf s THR 8 Cb -0.33 -3.07 -0.11 0.00 0.01 0.00 0.00 72.50 69.00 3pcf s THR 8 CO 0.41 0.00 1.46 -2.84 -0.69 0.00 0.00 174.62 172.96 3pcf s PRO 9 N 2.39 4.19 0.74 4.92 0.02 -1.26 -4.99 135.00 141.00 3pcf s PRO 9 Ca 0.79 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 64.15 3pcf s PRO 9 Cb -0.46 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 31.08 3pcf s PRO 9 CO 0.35 -0.46 1.09 0.45 -0.33 0.00 0.00 177.00 178.10 3pcf s SER 10 N -0.04 4.78 0.03 2.53 0.15 -1.26 -5.08 113.70 114.82 3pcf s SER 10 Ca 0.55 1.82 -0.06 0.00 0.70 0.00 0.00 55.95 58.96 3pcf s SER 10 Cb -0.45 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.33 3pcf s SER 10 CO 0.56 -1.85 0.10 -1.10 1.20 0.00 0.00 173.24 172.15 3pcf s GLN 11 N -4.76 0.58 0.65 5.44 -1.52 -1.17 -4.89 119.66 113.98 3pcf s GLN 11 Ca 0.62 -0.71 -0.18 0.00 -1.95 0.00 0.00 55.36 53.14 3pcf s GLN 11 Cb -0.17 0.23 -0.02 0.00 -0.22 0.00 0.00 33.01 32.83 3pcf s GLN 11 CO 0.53 -0.14 1.14 -2.37 -0.25 0.00 0.00 175.29 174.20 3pcf n THR 12 N 0.85 4.29 0.20 -0.19 5.66 -1.17 -4.78 114.28 119.13 3pcf n THR 12 Ca -0.19 -0.48 0.07 0.00 -3.05 0.00 0.00 64.05 60.39 3pcf n THR 12 Cb 0.58 -1.32 0.36 0.00 -1.55 0.00 0.00 70.33 68.39 3pcf n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcf h ALA 13 N 0.38 0.99 -0.33 1.79 0.00 -1.75 -3.50 119.26 116.83 3pcf h ALA 13 Ca -0.50 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.15 3pcf h ALA 13 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3pcf h ALA 13 CO 0.51 0.41 -0.09 0.41 0.00 0.00 0.00 179.25 180.49 3pcf n GLY 14 N 0.27 -2.06 0.30 0.00 0.00 -1.26 -3.99 105.19 98.44 3pcf n GLY 14 Ca 0.00 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.76 3pcf n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcf h PRO 15 N -0.14 0.00 -0.54 1.61 0.13 -1.92 -3.02 132.00 128.12 3pcf h PRO 15 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3pcf h PRO 15 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 3pcf h PRO 15 CO 0.01 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.44 3pcf n TYR 16 N -3.04 1.60 -0.11 1.56 4.01 -1.26 -4.59 117.16 115.32 3pcf n TYR 16 Ca -0.01 -0.70 0.26 0.00 -0.16 0.00 0.00 57.90 57.29 3pcf n TYR 16 Cb 0.18 -0.36 0.72 0.00 -0.31 0.00 0.00 39.34 39.57 3pcf n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcf h VAL 17 N 3.58 0.56 -0.85 -0.72 3.04 -1.66 -1.59 116.25 118.61 3pcf h VAL 17 Ca 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.79 3pcf h VAL 17 Cb 1.64 0.59 -0.06 0.00 -2.01 0.00 0.00 31.29 31.45 3pcf h VAL 17 CO 0.33 0.00 0.55 0.45 -1.01 0.00 0.00 177.57 177.89 3pcf h HIS 18 N 0.00 0.86 -0.26 3.17 3.86 -1.85 -0.21 115.15 120.71 3pcf h HIS 18 Ca 0.37 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 3pcf h HIS 18 Cb 1.52 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 3pcf h HIS 18 CO 0.00 0.39 0.13 -0.84 0.86 0.00 0.00 177.93 178.46 3pcf h ILE 19 N 0.79 1.09 0.04 2.45 3.07 -1.52 0.83 117.51 124.27 3pcf h ILE 19 Ca 0.40 -0.27 -0.18 0.00 1.55 0.00 0.00 64.86 66.36 3pcf h ILE 19 Cb 0.48 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 37.77 3pcf h ILE 19 CO -0.17 0.11 -0.96 1.23 -1.05 0.00 0.00 178.15 177.31 3pcf h GLY 20 N 0.46 0.11 -1.10 0.16 0.00 -1.40 -3.42 103.07 97.87 3pcf h GLY 20 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3pcf h GLY 20 CO -0.01 0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.80 3pcf n LEU 21 N -4.30 2.25 -2.73 3.11 4.77 -0.20 -4.79 117.00 115.10 3pcf n LEU 21 Ca -0.23 -1.19 -0.08 0.00 -0.03 0.00 0.00 56.01 54.48 3pcf n LEU 21 Cb 0.71 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.81 3pcf n LEU 21 CO 0.31 0.45 0.28 0.00 -1.33 0.00 0.00 177.39 177.11 3pcf n ALA 22 N 0.70 -1.58 -0.14 -1.18 0.00 0.25 -4.97 120.51 113.60 3pcf n ALA 22 Ca 0.08 -1.27 -0.07 0.00 0.00 0.00 0.00 53.44 52.19 3pcf n ALA 22 Cb 0.34 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3pcf n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcf h LEU 23 N 3.67 -1.06 -0.44 0.00 4.07 -1.72 -1.27 115.31 118.57 3pcf h LEU 23 Ca -0.15 0.20 0.06 0.00 0.08 0.00 0.00 57.88 58.06 3pcf h LEU 23 Cb 1.07 0.51 -0.09 0.00 1.08 0.00 0.00 40.66 43.23 3pcf h LEU 23 CO 0.23 -0.31 -0.54 1.05 -1.08 0.00 0.00 178.44 177.79 3pcf h GLU 24 N -0.22 -0.35 -0.79 1.13 -0.00 -1.88 -0.90 114.58 111.57 3pcf h GLU 24 Ca 0.19 0.02 0.18 0.00 -0.00 0.00 0.00 59.36 59.76 3pcf h GLU 24 Cb 0.53 0.08 -0.14 0.00 -0.00 0.00 0.00 28.75 29.23 3pcf h GLU 24 CO -0.56 -0.24 0.02 0.00 -0.00 0.00 0.00 179.01 178.23 3pcf h ALA 25 N 0.07 0.85 0.00 1.06 0.00 -1.60 0.89 119.26 120.52 3pcf h ALA 25 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3pcf h ALA 25 Cb 0.59 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3pcf h ALA 25 CO -0.61 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.20 3pcf n ALA 26 N -2.95 1.28 -2.12 0.00 0.00 -0.40 -4.81 120.51 111.51 3pcf n ALA 26 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3pcf n ALA 26 Cb 0.51 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3pcf n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcf n GLY 27 N -0.80 0.63 3.39 0.00 0.00 0.31 -4.97 105.19 103.74 3pcf n GLY 27 Ca -0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3pcf n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcf s ASN 28 N -2.97 3.34 0.31 1.61 0.01 -0.88 -5.05 114.94 111.31 3pcf s ASN 28 Ca 0.00 -0.69 -0.29 0.00 -0.71 0.00 0.00 52.86 51.17 3pcf s ASN 28 Cb 0.00 -0.28 -0.12 0.00 0.41 0.00 0.00 41.25 41.26 3pcf s ASN 28 CO 0.00 0.20 1.36 -0.81 -1.51 0.00 0.00 177.10 176.34 3pcf n PRO 29 N 1.14 2.18 -3.00 -0.60 -0.04 -1.26 -3.85 135.00 129.56 3pcf n PRO 29 Ca -0.17 0.77 -0.19 0.00 -0.04 0.00 0.00 63.50 63.86 3pcf n PRO 29 Cb 0.53 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.61 3pcf n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcf s THR 30 N -0.73 3.21 0.71 0.52 -4.23 -1.26 -4.88 115.64 108.98 3pcf s THR 30 Ca 0.59 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3pcf s THR 30 Cb -0.58 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.22 3pcf s THR 30 CO 0.58 -0.06 1.01 -0.13 -0.54 0.00 0.00 174.62 175.47 3pcf s ARG 31 N -4.44 2.04 0.13 3.99 0.52 -1.26 -5.00 118.95 114.93 3pcf s ARG 31 Ca 0.53 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 55.10 3pcf s ARG 31 Cb -0.10 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 3pcf s ARG 31 CO 0.34 -1.30 1.70 -0.44 0.02 0.00 0.00 175.30 175.62 3pcf h ASP 32 N -0.59 -0.25 -3.26 0.23 3.32 -2.06 -3.40 116.42 110.41 3pcf h ASP 32 Ca -0.43 0.07 -0.67 0.00 0.02 0.00 0.00 57.03 56.02 3pcf h ASP 32 Cb 1.30 0.15 -0.31 0.00 0.22 0.00 0.00 39.33 40.69 3pcf h ASP 32 CO 0.55 -0.10 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.06 3pcf s GLN 33 N -6.19 3.19 0.07 3.56 -0.21 -1.26 -5.11 119.66 113.71 3pcf s GLN 33 Ca -0.14 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.54 3pcf s GLN 33 Cb 0.10 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 3pcf s GLN 33 CO 0.68 -0.02 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.48 3pcf s GLU 34 N 0.89 0.83 -0.49 2.91 0.41 -1.26 -5.12 118.70 116.88 3pcf s GLU 34 Ca -0.04 -0.97 -0.18 0.00 -0.41 0.00 0.00 54.97 53.37 3pcf s GLU 34 Cb -0.15 -0.85 0.06 0.00 -1.78 0.00 0.00 34.13 31.41 3pcf s GLU 34 CO -0.02 0.19 0.57 0.42 -0.49 0.00 0.00 175.26 175.93 3pcf s ILE 35 N -1.30 4.96 0.00 -1.63 1.01 -1.26 -5.02 121.20 117.96 3pcf s ILE 35 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3pcf s ILE 35 Cb -0.10 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3pcf s ILE 35 CO 0.02 -0.73 0.00 1.87 0.00 0.00 0.00 174.94 176.11 3pcf n TRP 36 N 5.94 0.00 -0.75 3.97 -0.00 -1.26 -4.60 117.44 120.74 3pcf n TRP 36 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.40 3pcf n TRP 36 Cb 0.45 0.00 0.29 0.00 -0.00 0.00 0.00 31.31 32.06 3pcf n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcf n ASN 37 N 0.00 4.69 -3.98 5.87 6.94 -0.65 -1.80 115.26 126.33 3pcf n ASN 37 Ca 0.00 -3.00 -0.31 0.00 -0.02 0.00 0.00 54.58 51.25 3pcf n ASN 37 Cb 0.00 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 36.60 3pcf n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcf s ARG 38 N -2.65 2.44 0.31 -3.83 3.52 -1.26 -0.34 118.95 117.15 3pcf s ARG 38 Ca 0.48 -2.98 0.07 0.00 -0.13 0.00 0.00 55.73 53.18 3pcf s ARG 38 Cb 0.38 -3.51 0.52 0.00 -1.56 0.00 0.00 34.95 30.78 3pcf s ARG 38 CO 0.13 -1.21 1.74 -0.07 -0.81 0.00 0.00 175.30 175.08 3pcf h LEU 39 N 6.09 0.25 -8.41 -0.88 4.07 -0.92 -3.45 115.31 112.06 3pcf h LEU 39 Ca 0.05 -0.09 -0.63 0.00 0.08 0.00 0.00 57.88 57.29 3pcf h LEU 39 Cb 0.84 -0.07 -0.31 0.00 1.08 0.00 0.00 40.66 42.20 3pcf h LEU 39 CO 0.73 0.59 -0.86 0.00 -1.08 0.00 0.00 178.44 177.81 3pcf s ALA 40 N -4.26 1.85 0.40 1.53 0.00 -1.16 -0.02 121.76 120.10 3pcf s ALA 40 Ca -0.05 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 3pcf s ALA 40 Cb 0.14 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 3pcf s ALA 40 CO 0.76 0.39 0.79 0.15 0.00 0.00 0.00 175.76 177.85 3pcf s LYS 41 N -0.25 3.85 0.34 0.00 1.02 0.11 -4.80 119.74 120.01 3pcf s LYS 41 Ca 0.01 0.58 0.13 0.00 0.02 0.00 0.00 55.97 56.71 3pcf s LYS 41 Cb -0.11 -2.37 0.97 0.00 -0.52 0.00 0.00 37.83 35.80 3pcf s LYS 41 CO 0.01 -0.02 1.73 -1.00 -0.92 0.00 0.00 175.35 175.15 3pcf h PRO 42 N 1.45 0.48 -1.00 -1.68 0.13 -2.00 0.13 132.00 129.51 3pcf h PRO 42 Ca -0.47 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3pcf h PRO 42 Cb 1.18 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3pcf h PRO 42 CO 0.64 0.32 0.00 -0.40 -0.23 0.00 0.00 178.00 178.33 3pcf n ASP 43 N -4.85 1.49 -4.80 1.44 5.75 -1.26 -4.85 116.55 109.47 3pcf n ASP 43 Ca 0.28 -2.01 -0.38 0.00 -0.01 0.00 0.00 54.79 52.66 3pcf n ASP 43 Cb 0.82 -0.50 -0.06 0.00 -1.03 0.00 0.00 41.12 40.35 3pcf n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcf s ALA 44 N -0.79 3.61 0.39 2.12 0.00 0.46 -5.03 121.76 122.52 3pcf s ALA 44 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 3pcf s ALA 44 Cb 0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 3pcf s ALA 44 CO 0.00 0.33 1.32 -1.25 0.00 0.00 0.00 175.76 176.17 3pcf s PRO 45 N -0.65 4.02 0.00 0.00 0.04 -1.26 -4.88 135.00 132.28 3pcf s PRO 45 Ca 0.26 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3pcf s PRO 45 Cb -0.17 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3pcf s PRO 45 CO 0.14 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3pcf n GLY 46 N 0.67 1.46 3.56 0.56 0.00 -1.26 -4.58 105.19 105.59 3pcf n GLY 46 Ca 0.03 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 3pcf n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 47 N -1.35 3.50 -0.02 1.61 2.12 -1.26 -4.95 118.70 118.35 3pcf s GLU 47 Ca 0.00 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 3pcf s GLU 47 Cb 0.00 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.41 3pcf s GLU 47 CO 0.00 -1.18 1.55 -1.01 -0.54 0.00 0.00 175.26 174.08 3pcf s HIS 48 N 3.60 2.37 0.16 5.30 3.76 -1.26 -1.43 115.29 127.79 3pcf s HIS 48 Ca 0.35 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 55.76 3pcf s HIS 48 Cb -0.11 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.71 3pcf s HIS 48 CO 0.25 -3.31 -0.11 0.96 -0.85 0.00 0.00 174.74 171.68 3pcf s ILE 49 N 3.27 1.29 -0.18 0.60 -4.36 0.54 -4.64 121.20 117.72 3pcf s ILE 49 Ca 0.69 -2.09 -0.04 0.00 -0.26 0.00 0.00 60.65 58.95 3pcf s ILE 49 Cb -0.33 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3pcf s ILE 49 CO 0.28 -0.71 -0.04 -0.22 0.24 0.00 0.00 174.94 174.49 3pcf s LEU 50 N -3.20 3.09 -0.06 0.37 2.96 -0.34 -1.96 118.68 119.52 3pcf s LEU 50 Ca 0.18 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3pcf s LEU 50 Cb 0.02 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3pcf s LEU 50 CO 0.02 0.08 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.32 3pcf s LEU 51 N 0.87 3.29 0.05 -0.68 1.43 0.53 -0.86 118.68 123.31 3pcf s LEU 51 Ca -0.01 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 3pcf s LEU 51 Cb -0.15 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3pcf s LEU 51 CO 0.01 0.35 0.33 -1.48 0.23 0.00 0.00 176.35 175.80 3pcf s LEU 52 N -0.93 0.77 -0.00 1.79 -0.00 -0.54 -0.70 118.68 119.07 3pcf s LEU 52 Ca 0.13 -0.16 -0.29 0.00 -0.00 0.00 0.00 54.13 53.81 3pcf s LEU 52 Cb -0.11 1.45 0.10 0.00 -0.00 0.00 0.00 46.19 47.63 3pcf s LEU 52 CO 0.03 -0.64 1.27 -0.83 -0.00 0.00 0.00 176.35 176.18 3pcf s GLY 53 N -2.10 -0.22 0.07 -3.48 0.00 -1.05 0.46 107.32 101.00 3pcf s GLY 53 Ca -0.05 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3pcf s GLY 53 CO -0.04 3.27 -0.10 1.20 0.00 0.00 0.00 173.10 177.43 3pcf s GLN 54 N -2.18 0.72 -0.11 2.90 -0.21 -1.25 -1.38 119.66 118.15 3pcf s GLN 54 Ca 0.23 -0.97 0.02 0.00 0.02 0.00 0.00 55.36 54.65 3pcf s GLN 54 Cb 0.01 -0.49 -0.01 0.00 1.00 0.00 0.00 33.01 33.53 3pcf s GLN 54 CO -0.02 0.09 -0.16 0.08 -2.12 0.00 0.00 175.29 173.16 3pcf s VAL 55 N -1.85 2.81 -0.05 1.09 1.01 -1.26 -1.17 120.40 120.98 3pcf s VAL 55 Ca -0.02 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3pcf s VAL 55 Cb -0.07 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3pcf s VAL 55 CO 0.00 0.54 -0.25 -0.31 0.00 0.00 0.00 175.10 175.09 3pcf s TYR 56 N 0.16 2.40 0.78 5.22 2.02 -0.21 -0.49 117.35 127.24 3pcf s TYR 56 Ca -0.09 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 55.83 3pcf s TYR 56 Cb -0.15 -1.57 0.18 0.00 -0.40 0.00 0.00 41.96 40.02 3pcf s TYR 56 CO 0.05 -0.18 1.07 -0.40 -1.57 0.00 0.00 175.55 174.52 3pcf n ASP 57 N 2.83 0.17 0.14 2.29 5.68 0.11 -0.58 116.55 127.18 3pcf n ASP 57 Ca -0.17 -1.44 0.10 0.00 -0.50 0.00 0.00 54.79 52.78 3pcf n ASP 57 Cb 0.52 -0.81 0.51 0.00 -1.14 0.00 0.00 41.12 40.20 3pcf n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcf n GLY 58 N -2.04 -0.98 0.57 6.12 0.00 -1.26 -1.92 105.19 105.67 3pcf n GLY 58 Ca 0.14 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3pcf n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcf n ASN 59 N -2.17 2.12 0.00 1.61 3.02 -1.26 -4.74 115.26 113.83 3pcf n ASN 59 Ca 0.00 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3pcf n ASN 59 Cb 0.10 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3pcf n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcf n GLY 60 N 1.39 0.64 3.86 7.41 0.00 -0.81 -5.05 105.19 112.63 3pcf n GLY 60 Ca 0.11 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3pcf n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcf s HIS 61 N -2.00 3.62 0.25 1.61 3.76 -1.26 -4.80 115.29 116.48 3pcf s HIS 61 Ca 0.00 0.77 -0.31 0.00 -0.15 0.00 0.00 55.06 55.37 3pcf s HIS 61 Cb 0.00 -2.13 -0.12 0.00 1.11 0.00 0.00 32.58 31.44 3pcf s HIS 61 CO 0.00 0.60 1.66 -0.51 -0.85 0.00 0.00 174.74 175.63 3pcf s LEU 62 N -1.57 4.35 -0.60 0.89 1.43 -1.26 0.06 118.68 121.98 3pcf s LEU 62 Ca 0.28 2.92 -0.16 0.00 -1.03 0.00 0.00 54.13 56.13 3pcf s LEU 62 Cb -0.14 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.59 3pcf s LEU 62 CO 0.15 -0.95 0.60 -0.69 0.23 0.00 0.00 176.35 175.69 3pcf s VAL 63 N 0.54 5.16 -1.63 -1.59 1.01 0.36 -4.83 120.40 119.42 3pcf s VAL 63 Ca 0.69 -1.51 0.29 0.00 0.00 0.00 0.00 61.98 61.44 3pcf s VAL 63 Cb -0.49 -4.41 0.48 0.00 0.00 0.00 0.00 36.38 31.97 3pcf s VAL 63 CO 0.41 -0.97 1.90 0.54 0.00 0.00 0.00 175.10 176.97 3pcf n ARG 64 N 5.37 0.67 -0.36 2.72 1.74 -1.26 -3.91 116.66 121.63 3pcf n ARG 64 Ca -0.08 -0.20 0.07 0.00 -0.77 0.00 0.00 57.85 56.87 3pcf n ARG 64 Cb 0.42 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.55 3pcf n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcf n ASP 65 N -0.99 2.54 -4.82 0.55 5.68 -1.26 -4.20 116.55 114.04 3pcf n ASP 65 Ca 0.15 -3.35 -0.32 0.00 -0.50 0.00 0.00 54.79 50.77 3pcf n ASP 65 Cb 0.27 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3pcf n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcf s SER 66 N -2.72 6.03 -0.07 -1.12 1.04 -1.25 -4.57 113.70 111.03 3pcf s SER 66 Ca 0.37 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.52 3pcf s SER 66 Cb 0.33 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.95 3pcf s SER 66 CO 0.02 -1.00 -0.10 0.12 0.98 0.00 0.00 173.24 173.26 3pcf s PHE 67 N -2.60 1.36 0.05 5.02 5.36 0.29 -2.97 117.98 124.50 3pcf s PHE 67 Ca 0.61 -0.53 0.09 0.00 -0.96 0.00 0.00 56.93 56.15 3pcf s PHE 67 Cb -0.14 -1.04 -0.03 0.00 -0.34 0.00 0.00 43.02 41.47 3pcf s PHE 67 CO 0.38 -0.31 -0.26 -0.51 -1.46 0.00 0.00 175.22 173.05 3pcf s LEU 68 N 0.91 2.19 -0.05 6.12 1.02 -0.07 -0.00 118.68 128.81 3pcf s LEU 68 Ca -0.10 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 53.48 3pcf s LEU 68 Cb -0.15 -1.29 0.00 0.00 0.02 0.00 0.00 46.19 44.77 3pcf s LEU 68 CO 0.01 0.25 -0.14 -1.61 0.02 0.00 0.00 176.35 174.88 3pcf s GLU 69 N -1.32 1.56 0.12 1.70 2.02 -0.77 -0.72 118.70 121.29 3pcf s GLU 69 Ca 0.12 -0.48 0.09 0.00 0.02 0.00 0.00 54.97 54.72 3pcf s GLU 69 Cb -0.10 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 3pcf s GLU 69 CO 0.02 0.15 -0.21 0.14 0.02 0.00 0.00 175.26 175.38 3pcf s VAL 70 N 0.26 1.85 -0.11 2.63 -7.23 -0.41 -0.84 120.40 116.54 3pcf s VAL 70 Ca -0.07 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3pcf s VAL 70 Cb -0.12 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.17 3pcf s VAL 70 CO 0.02 -0.09 0.21 0.86 -0.31 0.00 0.00 175.10 175.79 3pcf s TRP 71 N -1.35 -0.31 0.06 2.82 -0.11 -0.11 -1.86 118.94 118.09 3pcf s TRP 71 Ca 0.10 0.77 -0.08 0.00 1.22 0.00 0.00 56.10 58.12 3pcf s TRP 71 Cb -0.09 -0.15 -0.01 0.00 -1.50 0.00 0.00 33.47 31.72 3pcf s TRP 71 CO 0.05 -0.33 0.16 1.14 -4.62 0.00 0.00 176.95 173.35 3pcf s GLN 72 N 2.36 0.74 0.62 5.86 -2.07 0.14 -0.90 119.66 126.41 3pcf s GLN 72 Ca 0.02 -0.87 -0.14 0.00 -1.82 0.00 0.00 55.36 52.56 3pcf s GLN 72 Cb -0.12 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3pcf s GLN 72 CO -0.07 -0.22 1.04 0.00 -1.32 0.00 0.00 175.29 174.72 3pcf s ALA 73 N -3.34 2.81 1.07 2.60 0.00 -1.26 -4.43 121.76 119.21 3pcf s ALA 73 Ca 0.01 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 3pcf s ALA 73 Cb 0.03 -3.18 0.14 0.00 0.00 0.00 0.00 23.12 20.11 3pcf s ALA 73 CO -0.08 -0.84 0.63 -0.40 0.00 0.00 0.00 175.76 175.06 3pcf n ASP 74 N -2.39 -0.88 0.26 0.00 5.68 0.11 -4.24 116.55 115.10 3pcf n ASP 74 Ca 0.08 -1.02 0.18 0.00 -0.50 0.00 0.00 54.79 53.52 3pcf n ASP 74 Cb 0.53 -0.53 0.88 0.00 -1.14 0.00 0.00 41.12 40.86 3pcf n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcf h ALA 75 N -2.17 1.00 -0.01 2.12 0.00 -1.81 -1.50 119.26 116.88 3pcf h ALA 75 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3pcf h ALA 75 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3pcf h ALA 75 CO 0.15 0.00 -0.28 0.09 0.00 0.00 0.00 179.25 179.21 3pcf n ASN 76 N -2.82 1.30 -0.30 0.00 3.02 -1.26 -3.93 115.26 111.27 3pcf n ASN 76 Ca -0.01 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3pcf n ASN 76 Cb 0.14 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 3pcf n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcf n GLY 77 N 1.34 0.84 3.26 7.41 0.00 -0.64 -4.79 105.19 112.61 3pcf n GLY 77 Ca 0.12 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3pcf n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 78 N -4.16 2.89 -0.49 1.61 2.12 -1.25 -4.75 118.70 114.68 3pcf s GLU 78 Ca 0.00 -0.87 -0.25 0.00 0.36 0.00 0.00 54.97 54.22 3pcf s GLU 78 Cb 0.00 -2.28 0.03 0.00 0.26 0.00 0.00 34.13 32.14 3pcf s GLU 78 CO 0.00 0.27 0.90 0.71 -0.54 0.00 0.00 175.26 176.60 3pcf s TYR 79 N 0.13 2.90 -0.86 5.30 2.02 -1.26 0.05 117.35 125.63 3pcf s TYR 79 Ca -0.12 0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.64 3pcf s TYR 79 Cb -0.16 -3.94 0.16 0.00 -0.40 0.00 0.00 41.96 37.62 3pcf s TYR 79 CO 0.07 -1.15 0.95 -0.65 -1.57 0.00 0.00 175.55 173.19 3pcf s GLN 80 N 3.72 3.55 0.29 -0.62 -1.52 -1.26 -4.88 119.66 118.94 3pcf s GLN 80 Ca 0.34 -2.01 0.17 0.00 -1.95 0.00 0.00 55.36 51.91 3pcf s GLN 80 Cb -0.11 -4.66 0.09 0.00 -0.22 0.00 0.00 33.01 28.11 3pcf s GLN 80 CO 0.24 -1.56 1.42 0.38 -0.25 0.00 0.00 175.29 175.51 3pcf h ASP 81 N 8.44 0.00 -0.78 5.90 2.03 -1.97 -3.27 116.42 126.77 3pcf h ASP 81 Ca 0.10 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.94 3pcf h ASP 81 Cb 1.04 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.47 3pcf h ASP 81 CO 0.96 0.42 1.30 0.00 -1.03 0.00 0.00 179.24 180.88 3pcf s ALA 82 N -3.01 2.28 0.03 4.15 0.00 -1.26 -4.92 121.76 119.03 3pcf s ALA 82 Ca 0.04 -2.14 -0.30 0.00 0.00 0.00 0.00 51.96 49.56 3pcf s ALA 82 Cb 0.07 -4.60 -0.07 0.00 0.00 0.00 0.00 23.12 18.52 3pcf s ALA 82 CO 0.74 -4.33 1.63 -0.47 0.00 0.00 0.00 175.76 173.33 3pcf s TYR 83 N 7.93 2.31 -0.25 0.00 5.04 -1.26 -4.98 117.35 126.14 3pcf s TYR 83 Ca 0.61 0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 55.39 3pcf s TYR 83 Cb -0.01 -3.92 0.07 0.00 0.35 0.00 0.00 41.96 38.44 3pcf s TYR 83 CO 0.02 -3.75 0.63 1.21 -1.34 0.00 0.00 175.55 172.32 3pcf s ASN 84 N 2.67 -0.79 0.15 4.32 3.84 -1.26 -5.02 114.94 118.84 3pcf s ASN 84 Ca 0.73 1.34 0.22 0.00 0.21 0.00 0.00 52.86 55.36 3pcf s ASN 84 Cb -0.37 1.26 0.87 0.00 -0.55 0.00 0.00 41.25 42.46 3pcf s ASN 84 CO 0.31 -0.23 1.67 0.18 -2.79 0.00 0.00 177.10 176.24 3pcf n LEU 85 N 3.84 0.42 0.10 3.21 4.77 -1.26 -2.03 117.00 126.06 3pcf n LEU 85 Ca -0.19 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.35 3pcf n LEU 85 Cb 0.57 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3pcf n LEU 85 CO 0.02 -0.36 0.31 -0.33 -1.33 0.00 0.00 177.39 175.70 3pcf h GLU 86 N 0.00 0.00 -6.90 3.23 5.08 -1.99 -3.46 114.58 110.55 3pcf h GLU 86 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pcf h GLU 86 Cb 0.39 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.81 3pcf h GLU 86 CO 0.00 0.79 0.15 0.09 -1.00 0.00 0.00 179.01 179.04 3pcf n ASN 87 N -3.43 0.78 0.09 1.42 3.02 -0.86 -4.92 115.26 111.36 3pcf n ASN 87 Ca 0.00 0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 55.22 3pcf n ASN 87 Cb 0.81 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 3pcf n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcf h ALA 88 N 0.24 0.46 -3.27 5.41 0.00 -1.88 -3.45 119.26 116.78 3pcf h ALA 88 Ca -0.49 -0.77 -0.21 0.00 0.00 0.00 0.00 54.91 53.45 3pcf h ALA 88 Cb 1.35 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 3pcf h ALA 88 CO 0.50 0.98 -0.55 0.12 0.00 0.00 0.00 179.25 180.29 3pcf s PHE 89 N -3.07 -0.19 -0.04 0.00 5.36 -1.26 0.04 117.98 118.82 3pcf s PHE 89 Ca -0.02 0.50 0.07 0.00 -0.96 0.00 0.00 56.93 56.52 3pcf s PHE 89 Cb 0.10 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.77 3pcf s PHE 89 CO 0.83 -0.14 -0.25 -0.80 -1.46 0.00 0.00 175.22 173.40 3pcf s ASN 90 N 0.67 3.02 0.43 6.13 0.01 0.97 -4.99 114.94 121.19 3pcf s ASN 90 Ca -0.05 -0.49 0.27 0.00 -0.71 0.00 0.00 52.86 51.88 3pcf s ASN 90 Cb -0.06 -0.60 0.79 0.00 0.41 0.00 0.00 41.25 41.78 3pcf s ASN 90 CO -0.03 0.28 1.76 0.28 -1.51 0.00 0.00 177.10 177.87 3pcf h SER 91 N 5.81 0.00 -3.76 -1.22 0.02 -1.77 -3.43 113.55 109.20 3pcf h SER 91 Ca -0.37 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.90 3pcf h SER 91 Cb 1.15 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.50 3pcf h SER 91 CO 0.47 0.00 -0.74 0.12 -1.14 0.00 0.00 176.83 175.54 3pcf s PHE 92 N -3.36 2.78 0.32 3.45 2.19 -1.26 -0.69 117.98 121.42 3pcf s PHE 92 Ca 0.05 -0.11 -0.13 0.00 0.33 0.00 0.00 56.93 57.08 3pcf s PHE 92 Cb 0.08 -1.58 0.02 0.00 -1.31 0.00 0.00 43.02 40.23 3pcf s PHE 92 CO 0.60 0.32 0.63 0.20 1.83 0.00 0.00 175.22 178.79 3pcf s GLY 93 N -1.31 0.60 -0.04 13.12 0.00 -0.78 -4.82 107.32 114.09 3pcf s GLY 93 Ca 0.16 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 3pcf s GLY 93 CO 0.06 -0.51 0.22 0.50 0.00 0.00 0.00 173.10 173.36 3pcf s ARG 94 N -3.17 0.45 0.26 2.90 0.52 -0.75 -1.28 118.95 117.88 3pcf s ARG 94 Ca 0.20 -0.06 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 3pcf s ARG 94 Cb -0.03 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 3pcf s ARG 94 CO 0.12 -0.10 0.47 -0.08 0.02 0.00 0.00 175.30 175.74 3pcf s THR 95 N -0.77 0.00 0.11 0.02 -1.32 0.10 -1.63 115.64 112.15 3pcf s THR 95 Ca -0.09 -1.45 -0.21 0.00 -1.21 0.00 0.00 61.69 58.74 3pcf s THR 95 Cb -0.05 -2.31 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3pcf s THR 95 CO 0.02 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 172.94 3pcf s ALA 96 N -3.82 -1.31 0.05 11.08 0.00 -1.26 -0.89 121.76 125.62 3pcf s ALA 96 Ca 0.24 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 3pcf s ALA 96 Cb -0.00 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.71 3pcf s ALA 96 CO 0.11 -0.64 0.59 0.95 0.00 0.00 0.00 175.76 176.76 3pcf s THR 97 N -3.32 4.77 0.43 0.00 -4.23 -1.16 -4.23 115.64 107.90 3pcf s THR 97 Ca -0.01 1.25 -0.26 0.00 -1.18 0.00 0.00 61.69 61.50 3pcf s THR 97 Cb 0.00 -3.92 -0.09 0.00 1.34 0.00 0.00 72.50 69.83 3pcf s THR 97 CO -0.09 0.51 1.34 0.35 -0.54 0.00 0.00 174.62 176.20 3pcf n THR 98 N 2.01 2.61 0.28 3.99 -2.24 -1.13 -4.60 114.28 115.20 3pcf n THR 98 Ca -0.09 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 3pcf n THR 98 Cb 0.51 -1.69 0.52 0.00 -2.10 0.00 0.00 70.33 67.57 3pcf n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcf h PHE 99 N 2.21 0.00 0.00 4.78 0.04 -1.95 -1.67 116.94 120.35 3pcf h PHE 99 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3pcf h PHE 99 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 3pcf h PHE 99 CO 0.49 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.80 3pcf n ASP 100 N -3.02 0.00 -0.21 2.17 5.75 -1.26 -4.70 116.55 115.28 3pcf n ASP 100 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.87 3pcf n ASP 100 Cb 0.37 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.80 3pcf n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcf h ALA 101 N -2.00 1.70 -0.21 2.12 0.00 -1.99 -3.47 119.26 115.42 3pcf h ALA 101 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3pcf h ALA 101 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3pcf h ALA 101 CO 0.00 0.16 -0.00 0.41 0.00 0.00 0.00 179.25 179.82 3pcf n GLY 102 N -1.44 0.49 3.20 0.00 0.00 -0.63 -4.96 105.19 101.84 3pcf n GLY 102 Ca 0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 3pcf n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 103 N -4.20 1.89 0.26 1.61 2.12 -1.26 -4.30 118.70 114.81 3pcf s GLU 103 Ca 0.00 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.68 3pcf s GLU 103 Cb -0.00 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 3pcf s GLU 103 CO 0.00 0.35 0.24 1.67 -0.54 0.00 0.00 175.26 176.98 3pcf s TRP 104 N -0.22 3.15 0.01 5.30 1.48 -0.48 -2.82 118.94 125.37 3pcf s TRP 104 Ca 0.01 -0.11 -0.04 0.00 -1.06 0.00 0.00 56.10 54.90 3pcf s TRP 104 Cb -0.10 -1.47 -0.01 0.00 -1.16 0.00 0.00 33.47 30.72 3pcf s TRP 104 CO 0.01 0.47 0.06 0.95 -4.06 0.00 0.00 176.95 174.39 3pcf s THR 105 N -2.12 0.09 -0.03 0.66 -4.23 -1.26 -2.53 115.64 106.22 3pcf s THR 105 Ca 0.34 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 3pcf s THR 105 Cb -0.08 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.43 3pcf s THR 105 CO 0.26 -0.42 0.07 -0.22 -0.54 0.00 0.00 174.62 173.77 3pcf s LEU 106 N -1.37 1.48 -0.30 4.79 2.96 0.12 -4.81 118.68 121.56 3pcf s LEU 106 Ca -0.15 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3pcf s LEU 106 Cb -0.08 0.17 0.04 0.00 0.50 0.00 0.00 46.19 46.82 3pcf s LEU 106 CO 0.00 -0.06 0.01 -1.00 -1.32 0.00 0.00 176.35 173.98 3pcf s HIS 107 N 0.41 3.22 0.00 5.38 3.76 0.54 -0.35 115.29 128.26 3pcf s HIS 107 Ca -0.03 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.19 3pcf s HIS 107 Cb -0.05 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.51 3pcf s HIS 107 CO -0.01 -0.76 0.00 -2.37 -0.85 0.00 0.00 174.74 170.74 3pcf n THR 108 N 4.68 0.00 -4.48 1.30 5.66 -0.83 -0.29 114.28 120.32 3pcf n THR 108 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 3pcf n THR 108 Cb 0.44 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.09 3pcf n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcf s VAL 109 N -2.24 2.34 0.06 1.08 -7.23 -1.26 -0.34 120.40 112.81 3pcf s VAL 109 Ca 0.00 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 3pcf s VAL 109 Cb 0.00 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 3pcf s VAL 109 CO 0.00 0.15 1.57 -0.75 -0.31 0.00 0.00 175.10 175.76 3pcf s LYS 110 N -1.90 4.23 0.53 4.82 2.20 -0.52 -4.89 119.74 124.20 3pcf s LYS 110 Ca 0.14 2.23 -0.20 0.00 -0.36 0.00 0.00 55.97 57.78 3pcf s LYS 110 Cb -0.10 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3pcf s LYS 110 CO 0.06 -0.67 1.13 -1.25 -0.36 0.00 0.00 175.35 174.26 3pcf s PRO 111 N 2.41 3.45 0.46 4.03 0.04 -1.26 -4.19 135.00 139.94 3pcf s PRO 111 Ca 0.71 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 3pcf s PRO 111 Cb -0.38 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3pcf s PRO 111 CO 0.31 -0.78 0.71 0.20 0.04 0.00 0.00 177.00 177.47 3pcf s GLY 112 N -1.70 1.53 0.45 0.56 0.00 -0.77 -4.72 107.32 102.67 3pcf s GLY 112 Ca 0.71 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 44.29 3pcf s GLY 112 CO 0.28 -0.72 1.35 0.14 0.00 0.00 0.00 173.10 174.15 3pcf s VAL 113 N -2.62 2.34 0.02 1.40 1.01 -1.26 -4.19 120.40 117.11 3pcf s VAL 113 Ca 0.48 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.78 3pcf s VAL 113 Cb -0.10 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3pcf s VAL 113 CO 0.40 0.03 -0.09 0.68 0.00 0.00 0.00 175.10 176.12 3pcf s VAL 114 N -1.27 0.71 0.20 2.92 -7.23 -1.25 -4.38 120.40 110.09 3pcf s VAL 114 Ca 0.62 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 3pcf s VAL 114 Cb -0.40 -0.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 3pcf s VAL 114 CO 0.50 -0.06 0.55 0.20 -0.31 0.00 0.00 175.10 175.98 3pcf s ASN 115 N -0.90 6.70 1.06 4.85 0.01 -1.26 0.24 114.94 125.65 3pcf s ASN 115 Ca -0.02 0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 52.96 3pcf s ASN 115 Cb -0.06 -2.25 0.23 0.00 0.41 0.00 0.00 41.25 39.57 3pcf s ASN 115 CO 0.00 -0.01 1.16 -0.46 -1.51 0.00 0.00 177.10 176.28 3pcf n ASN 116 N 0.22 -0.48 0.22 -1.22 0.23 0.16 -4.86 115.26 109.53 3pcf n ASN 116 Ca -0.02 -1.35 0.14 0.00 -0.53 0.00 0.00 54.58 52.82 3pcf n ASN 116 Cb 0.52 -0.93 0.77 0.00 -2.08 0.00 0.00 39.78 38.06 3pcf n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcf h ALA 117 N -2.05 1.90 -0.28 -2.53 0.00 -1.99 -2.04 119.26 112.28 3pcf h ALA 117 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3pcf h ALA 117 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3pcf h ALA 117 CO 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3pcf n ALA 118 N -2.44 2.48 -0.69 0.00 0.00 -1.26 -4.92 120.51 113.68 3pcf n ALA 118 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3pcf n ALA 118 Cb 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3pcf n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcf n GLY 119 N 1.14 0.80 3.69 0.00 0.00 -0.77 -5.04 105.19 105.01 3pcf n GLY 119 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3pcf n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcf s VAL 120 N -3.06 5.10 0.32 1.61 1.01 -1.26 -4.79 120.40 119.32 3pcf s VAL 120 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 3pcf s VAL 120 Cb 0.00 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 3pcf s VAL 120 CO 0.00 0.21 1.30 -2.16 0.00 0.00 0.00 175.10 174.46 3pcf s PRO 121 N 1.27 4.37 0.03 2.72 0.04 -1.26 -0.67 135.00 141.50 3pcf s PRO 121 Ca 0.28 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 3pcf s PRO 121 Cb -0.16 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3pcf s PRO 121 CO 0.11 -0.18 0.20 -1.64 0.04 0.00 0.00 177.00 175.53 3pcf s MET 122 N -1.71 3.44 0.55 4.56 -1.94 0.14 -4.35 119.30 119.98 3pcf s MET 122 Ca 0.49 -0.39 -0.19 0.00 -1.71 0.00 0.00 55.69 53.89 3pcf s MET 122 Cb -0.39 -3.06 -0.06 0.00 2.01 0.00 0.00 34.83 33.33 3pcf s MET 122 CO 0.52 0.64 1.12 0.00 -0.01 0.00 0.00 175.02 177.28 3pcf s ALA 123 N -1.44 2.69 0.21 3.03 0.00 -1.26 -3.94 121.76 121.06 3pcf s ALA 123 Ca 0.32 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.74 3pcf s ALA 123 Cb -0.13 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 3pcf s ALA 123 CO 0.24 -0.77 1.07 -2.30 0.00 0.00 0.00 175.76 174.00 3pcf n PRO 124 N -1.37 1.15 -3.51 0.00 -0.02 -1.26 -4.87 135.00 125.11 3pcf n PRO 124 Ca 0.11 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3pcf n PRO 124 Cb 0.51 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 3pcf n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcf s HIS 125 N -0.55 -0.41 -0.18 6.00 -3.43 -1.26 -4.33 115.29 111.13 3pcf s HIS 125 Ca 0.68 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.13 3pcf s HIS 125 Cb -0.81 0.43 0.01 0.00 -1.43 0.00 0.00 32.58 30.79 3pcf s HIS 125 CO 0.55 -0.78 -0.17 0.42 -2.00 0.00 0.00 174.74 172.76 3pcf s ILE 126 N -3.63 2.36 -0.10 -5.38 1.01 0.44 -4.62 121.20 111.27 3pcf s ILE 126 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3pcf s ILE 126 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3pcf s ILE 126 CO -0.11 0.52 1.03 0.20 0.00 0.00 0.00 174.94 176.57 3pcf s ASN 127 N 1.18 7.23 -0.04 3.58 0.01 -0.08 -0.50 114.94 126.32 3pcf s ASN 127 Ca 0.02 1.57 0.05 0.00 -0.71 0.00 0.00 52.86 53.78 3pcf s ASN 127 Cb -0.14 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3pcf s ASN 127 CO -0.08 -0.46 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.24 3pcf s ILE 128 N 2.01 1.49 -0.12 0.60 1.01 -0.66 -0.93 121.20 124.59 3pcf s ILE 128 Ca 0.49 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3pcf s ILE 128 Cb -0.19 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3pcf s ILE 128 CO 0.19 0.43 -0.20 -0.44 0.00 0.00 0.00 174.94 174.91 3pcf s SER 129 N -0.09 3.36 -0.11 3.58 0.01 -0.02 -0.85 113.70 119.58 3pcf s SER 129 Ca -0.01 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 3pcf s SER 129 Cb -0.11 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 3pcf s SER 129 CO 0.02 0.13 -0.03 -0.22 0.41 0.00 0.00 173.24 173.54 3pcf s LEU 130 N 0.52 3.32 0.06 2.44 2.96 0.26 -1.85 118.68 126.39 3pcf s LEU 130 Ca -0.13 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3pcf s LEU 130 Cb -0.17 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3pcf s LEU 130 CO 0.05 0.27 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.87 3pcf s PHE 131 N -0.27 1.01 0.00 5.38 0.40 0.99 -1.58 117.98 123.92 3pcf s PHE 131 Ca 0.05 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3pcf s PHE 131 Cb -0.13 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.82 3pcf s PHE 131 CO 0.02 0.01 0.00 0.00 0.70 0.00 0.00 175.22 175.95 3pcf n ALA 132 N 1.43 0.00 -1.77 5.36 0.00 -1.26 0.11 120.51 124.37 3pcf n ALA 132 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 3pcf n ALA 132 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3pcf n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcf s ARG 133 N -2.00 4.21 0.00 0.00 1.70 -1.26 -1.47 118.95 120.13 3pcf s ARG 133 Ca 0.00 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 3pcf s ARG 133 Cb 0.00 -2.88 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 3pcf s ARG 133 CO 0.00 -0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 3pcf n GLY 134 N 0.77 2.71 3.34 3.88 0.00 -1.26 -4.98 105.19 109.65 3pcf n GLY 134 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3pcf n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcf s ILE 135 N -2.49 4.91 0.17 -0.61 1.01 -0.55 -4.97 121.20 118.68 3pcf s ILE 135 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 3pcf s ILE 135 Cb 0.00 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.55 3pcf s ILE 135 CO 0.00 -0.59 1.65 0.78 0.00 0.00 0.00 174.94 176.78 3pcf h ASN 136 N 8.66 0.96 -3.61 3.58 2.35 -1.91 -3.35 115.58 122.26 3pcf h ASN 136 Ca -0.27 -0.28 -0.40 0.00 -0.55 0.00 0.00 56.30 54.81 3pcf h ASN 136 Cb 1.10 -0.26 -0.32 0.00 0.05 0.00 0.00 38.32 38.89 3pcf h ASN 136 CO 0.86 1.00 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.35 3pcf s ILE 137 N -5.14 0.58 0.53 2.81 2.07 -1.26 -3.06 121.20 117.73 3pcf s ILE 137 Ca -0.12 -0.20 -0.21 0.00 -1.41 0.00 0.00 60.65 58.71 3pcf s ILE 137 Cb 0.13 -0.57 -0.07 0.00 0.13 0.00 0.00 42.46 42.09 3pcf s ILE 137 CO 0.84 0.21 1.09 0.00 -1.91 0.00 0.00 174.94 175.17 3pcf n HIS 138 N 3.68 1.33 -3.75 3.50 1.44 -1.26 -4.99 115.22 115.18 3pcf n HIS 138 Ca -0.22 0.47 -0.35 0.00 -2.01 0.00 0.00 57.72 55.61 3pcf n HIS 138 Cb 0.53 -2.23 -0.08 0.00 0.12 0.00 0.00 29.99 28.33 3pcf n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcf s LEU 139 N -1.95 4.19 -0.15 2.39 1.43 -0.61 -4.89 118.68 119.08 3pcf s LEU 139 Ca 0.71 0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.96 3pcf s LEU 139 Cb -0.46 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3pcf s LEU 139 CO 0.51 0.19 0.12 -1.00 0.23 0.00 0.00 176.35 176.40 3pcf s HIS 140 N 0.32 3.48 0.22 0.29 3.76 -1.26 0.91 115.29 123.01 3pcf s HIS 140 Ca 0.08 0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 55.37 3pcf s HIS 140 Cb -0.11 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.57 3pcf s HIS 140 CO -0.02 0.53 0.33 -2.37 -0.85 0.00 0.00 174.74 172.36 3pcf n THR 141 N 2.63 0.00 -3.86 1.30 5.66 -0.03 -0.15 114.28 119.83 3pcf n THR 141 Ca -0.18 -0.96 -0.12 0.00 -3.05 0.00 0.00 64.05 59.74 3pcf n THR 141 Cb 0.54 0.64 -0.13 0.00 -1.55 0.00 0.00 70.33 69.83 3pcf n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3pcf s ARG 142 N -2.39 0.16 -0.20 1.09 0.52 -1.26 -1.66 118.95 115.22 3pcf s ARG 142 Ca 0.16 -0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.31 3pcf s ARG 142 Cb -0.01 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 3pcf s ARG 142 CO 0.11 -0.03 -0.02 -1.17 0.02 0.00 0.00 175.30 174.22 3pcf s LEU 143 N -0.26 3.16 0.39 2.53 0.20 0.34 -4.73 118.68 120.32 3pcf s LEU 143 Ca -0.03 -0.23 0.08 0.00 0.69 0.00 0.00 54.13 54.63 3pcf s LEU 143 Cb -0.02 -1.80 -0.06 0.00 -0.43 0.00 0.00 46.19 43.89 3pcf s LEU 143 CO 0.00 0.06 0.11 -0.31 -0.29 0.00 0.00 176.35 175.93 3pcf s TYR 144 N 0.99 2.59 -0.02 5.38 1.51 -0.11 -0.42 117.35 127.27 3pcf s TYR 144 Ca 0.01 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 3pcf s TYR 144 Cb -0.14 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3pcf s TYR 144 CO 0.01 0.31 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.56 3pcf s PHE 145 N -2.58 2.70 0.40 2.71 0.40 -1.26 0.43 117.98 120.78 3pcf s PHE 145 Ca 0.38 -0.16 0.13 0.00 -0.60 0.00 0.00 56.93 56.69 3pcf s PHE 145 Cb 0.03 -1.58 0.83 0.00 0.51 0.00 0.00 43.02 42.81 3pcf s PHE 145 CO 0.21 0.24 1.89 0.38 0.70 0.00 0.00 175.22 178.64 3pcf h ASP 146 N 4.97 0.00 -0.10 1.36 2.03 -1.59 -2.77 116.42 120.33 3pcf h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3pcf h ASP 146 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3pcf h ASP 146 CO 0.50 0.30 0.00 -0.90 -1.03 0.00 0.00 179.24 178.11 3pcf n ASP 147 N -4.18 1.22 -1.43 4.15 5.68 -1.26 -3.47 116.55 117.25 3pcf n ASP 147 Ca -0.02 -2.08 -0.02 0.00 -0.50 0.00 0.00 54.79 52.17 3pcf n ASP 147 Cb 0.34 -0.32 0.10 0.00 -1.14 0.00 0.00 41.12 40.11 3pcf n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcf n GLU 148 N -0.02 1.68 -0.30 0.11 -0.58 -1.04 -4.88 120.64 115.61 3pcf n GLU 148 Ca 0.04 -3.22 0.13 0.00 -0.42 0.00 0.00 57.16 53.69 3pcf n GLU 148 Cb 0.26 -1.38 0.29 0.00 -0.57 0.00 0.00 31.44 30.04 3pcf n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcf h ALA 149 N 1.48 1.33 -0.23 0.62 0.00 -1.74 0.36 119.26 121.08 3pcf h ALA 149 Ca 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3pcf h ALA 149 Cb 1.37 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3pcf h ALA 149 CO 0.22 -0.42 0.12 1.96 0.00 0.00 0.00 179.25 181.13 3pcf h GLN 150 N 0.29 0.32 -0.20 0.00 4.20 -1.92 -1.22 115.11 116.58 3pcf h GLN 150 Ca 0.55 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 59.15 3pcf h GLN 150 Cb 1.08 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 3pcf h GLN 150 CO -0.59 0.31 -0.14 0.00 -0.67 0.00 0.00 178.83 177.75 3pcf h ALA 151 N 0.99 0.29 -0.74 3.87 0.00 -1.47 -3.17 119.26 119.03 3pcf h ALA 151 Ca 0.08 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3pcf h ALA 151 Cb 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3pcf h ALA 151 CO -0.01 0.16 0.34 -0.91 0.00 0.00 0.00 179.25 178.83 3pcf h ASN 152 N 0.14 0.40 -0.63 0.00 2.35 -0.30 0.55 115.58 118.10 3pcf h ASN 152 Ca 0.04 0.08 0.17 0.00 -0.55 0.00 0.00 56.30 56.05 3pcf h ASN 152 Cb 0.65 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3pcf h ASN 152 CO 0.04 0.20 0.45 0.00 -1.65 0.00 0.00 177.43 176.47 3pcf h ALA 153 N 1.48 2.53 -0.35 -0.83 0.00 -1.19 -2.13 119.26 118.78 3pcf h ALA 153 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3pcf h ALA 153 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3pcf h ALA 153 CO -0.32 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 179.84 3pcf n LYS 154 N -4.37 2.90 -2.19 0.00 5.02 0.11 -4.93 118.16 114.70 3pcf n LYS 154 Ca 0.12 -2.20 -0.42 0.00 -2.02 0.00 0.00 58.31 53.79 3pcf n LYS 154 Cb 0.67 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 3pcf n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcf h PRO 156 N 7.74 0.07 0.03 0.00 0.13 -1.91 -0.44 132.00 137.62 3pcf h PRO 156 Ca -0.39 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3pcf h PRO 156 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3pcf h PRO 156 CO 0.90 0.24 -0.01 0.28 -0.23 0.00 0.00 178.00 179.18 3pcf h VAL 157 N 0.06 1.40 -0.90 1.56 2.07 -1.93 -3.15 116.25 115.36 3pcf h VAL 157 Ca 0.01 -1.69 0.14 0.00 0.82 0.00 0.00 66.70 65.98 3pcf h VAL 157 Cb 0.34 2.48 -0.09 0.00 -1.52 0.00 0.00 31.29 32.50 3pcf h VAL 157 CO 0.02 0.41 0.51 0.25 0.02 0.00 0.00 177.57 178.78 3pcf h LEU 158 N -0.82 0.67 -0.33 2.57 5.85 -1.87 0.21 115.31 121.58 3pcf h LEU 158 Ca -0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3pcf h LEU 158 Cb 0.71 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3pcf h LEU 158 CO 0.01 0.30 0.00 0.59 -0.34 0.00 0.00 178.44 179.00 3pcf n ASN 159 N -4.79 0.21 0.17 1.25 3.02 -0.19 -1.60 115.26 113.34 3pcf n ASN 159 Ca 0.18 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.42 3pcf n ASN 159 Cb 0.43 -0.61 0.22 0.00 -0.61 0.00 0.00 39.78 39.21 3pcf n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcf h LEU 160 N 0.00 0.00 -8.84 3.41 3.38 -0.54 -3.43 115.31 109.29 3pcf h LEU 160 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3pcf h LEU 160 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3pcf h LEU 160 CO 0.00 0.00 1.00 -0.63 0.09 0.00 0.00 178.44 178.90 3pcf s ILE 161 N -3.19 4.07 0.18 1.22 1.01 -0.63 -4.91 121.20 118.96 3pcf s ILE 161 Ca 0.07 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.67 3pcf s ILE 161 Cb 0.08 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.38 3pcf s ILE 161 CO 0.66 -0.69 1.60 -0.33 0.00 0.00 0.00 174.94 176.18 3pcf h GLU 162 N 9.79 -0.17 -5.19 2.79 5.08 -1.88 -3.39 114.58 121.61 3pcf h GLU 162 Ca -0.26 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.46 3pcf h GLU 162 Cb 1.09 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 3pcf h GLU 162 CO 1.07 -0.11 -0.07 -0.65 -1.00 0.00 0.00 179.01 178.25 3pcf s GLN 163 N -6.04 3.51 0.31 2.33 -1.52 -1.26 -4.95 119.66 112.03 3pcf s GLN 163 Ca -0.15 -0.28 0.07 0.00 -1.95 0.00 0.00 55.36 53.05 3pcf s GLN 163 Cb 0.15 -3.84 0.83 0.00 -0.22 0.00 0.00 33.01 29.92 3pcf s GLN 163 CO 0.69 -0.70 1.69 -1.35 -0.25 0.00 0.00 175.29 175.37 3pcf h PRO 164 N 8.54 0.40 -0.60 2.91 0.11 -1.98 0.84 132.00 142.23 3pcf h PRO 164 Ca -0.28 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.93 3pcf h PRO 164 Cb 1.12 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3pcf h PRO 164 CO 0.78 0.27 0.41 1.96 -0.21 0.00 0.00 178.00 181.21 3pcf h GLN 165 N 0.41 0.29 0.00 1.05 7.50 -1.95 -1.54 115.11 120.88 3pcf h GLN 165 Ca 0.61 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.65 3pcf h GLN 165 Cb 1.21 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.66 3pcf h GLN 165 CO -0.54 0.19 -0.45 0.00 -1.50 0.00 0.00 178.83 176.53 3pcf h ARG 166 N 0.30 0.00 -0.19 1.46 3.08 -1.22 -3.26 114.38 114.55 3pcf h ARG 166 Ca 0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3pcf h ARG 166 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3pcf h ARG 166 CO -0.07 0.45 -0.12 0.00 -1.07 0.00 0.00 179.97 179.17 3pcf h ARG 167 N 0.00 0.30 0.00 0.04 3.08 -1.23 -2.16 114.38 114.41 3pcf h ARG 167 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3pcf h ARG 167 Cb 1.19 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 3pcf h ARG 167 CO 0.06 0.42 -0.03 0.93 -1.07 0.00 0.00 179.97 180.28 3pcf h GLU 168 N 0.28 0.00 0.00 0.04 5.08 -1.62 -1.97 114.58 116.40 3pcf h GLU 168 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3pcf h GLU 168 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3pcf h GLU 168 CO 0.02 0.03 -0.09 1.79 -1.00 0.00 0.00 179.01 179.76 3pcf h THR 169 N 0.00 0.28 -0.01 1.13 1.35 -1.56 -3.05 112.91 111.04 3pcf h THR 169 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3pcf h THR 169 Cb 0.29 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3pcf h THR 169 CO 0.00 0.09 -0.16 0.18 -0.25 0.00 0.00 175.52 175.38 3pcf n LEU 170 N -3.30 1.33 -4.57 3.87 4.77 -0.74 -4.81 117.00 113.56 3pcf n LEU 170 Ca -0.01 -0.41 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 3pcf n LEU 170 Cb 0.29 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3pcf n LEU 170 CO 0.29 0.24 -0.01 -0.63 -1.33 0.00 0.00 177.39 175.94 3pcf s ILE 171 N -2.29 5.21 0.33 -0.08 1.01 -1.16 -0.93 121.20 123.29 3pcf s ILE 171 Ca 0.29 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 3pcf s ILE 171 Cb 0.20 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 3pcf s ILE 171 CO 0.44 0.05 1.13 0.00 0.00 0.00 0.00 174.94 176.56 3pcf s ALA 172 N 1.96 3.31 -0.32 9.38 0.00 0.17 -4.81 121.76 131.44 3pcf s ALA 172 Ca 0.11 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 3pcf s ALA 172 Cb -0.16 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3pcf s ALA 172 CO 0.11 -0.30 0.51 0.15 0.00 0.00 0.00 175.76 176.23 3pcf s LYS 173 N -1.84 3.75 0.32 0.00 1.02 -0.64 -1.51 119.74 120.83 3pcf s LYS 173 Ca 0.50 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.16 3pcf s LYS 173 Cb -0.31 -3.76 -0.10 0.00 -0.52 0.00 0.00 37.83 33.13 3pcf s LYS 173 CO 0.40 -0.56 1.39 0.50 -0.92 0.00 0.00 175.35 176.16 3pcf s ARG 174 N 2.37 4.27 0.15 1.68 3.52 -1.26 -1.44 118.95 128.24 3pcf s ARG 174 Ca 0.19 2.32 -0.04 0.00 -0.13 0.00 0.00 55.73 58.07 3pcf s ARG 174 Cb -0.15 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3pcf s ARG 174 CO 0.12 -0.34 0.28 0.00 -0.81 0.00 0.00 175.30 174.56 3pcf s GLU 176 N -2.12 0.93 -0.11 0.00 2.12 -1.25 -0.49 118.70 117.78 3pcf s GLU 176 Ca 0.08 -0.93 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 3pcf s GLU 176 Cb -0.02 -0.98 0.05 0.00 0.26 0.00 0.00 34.13 33.44 3pcf s GLU 176 CO 0.06 0.23 0.08 0.08 -0.54 0.00 0.00 175.26 175.16 3pcf s VAL 177 N -1.11 -0.11 -1.46 3.70 1.01 0.28 -4.81 120.40 117.91 3pcf s VAL 177 Ca 0.01 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 3pcf s VAL 177 Cb -0.09 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.95 3pcf s VAL 177 CO 0.02 -0.05 0.89 0.47 0.00 0.00 0.00 175.10 176.44 3pcf n ASP 178 N 5.29 -5.83 -0.85 3.32 8.00 -1.26 0.11 116.55 125.34 3pcf n ASP 178 Ca -0.05 -0.48 -0.11 0.00 0.71 0.00 0.00 54.79 54.86 3pcf n ASP 178 Cb 0.50 -4.65 -0.05 0.00 -0.02 0.00 0.00 41.12 36.90 3pcf n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcf n GLY 179 N -1.72 1.22 3.62 0.44 0.00 -1.26 -5.00 105.19 102.49 3pcf n GLY 179 Ca -0.03 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3pcf n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcf s LYS 180 N -2.89 2.38 -0.19 1.61 2.20 0.12 -5.07 119.74 117.89 3pcf s LYS 180 Ca 0.00 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 3pcf s LYS 180 Cb 0.00 -2.44 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3pcf s LYS 180 CO 0.00 0.55 1.36 0.99 -0.36 0.00 0.00 175.35 177.89 3pcf s THR 181 N -1.18 4.10 0.11 3.43 2.01 -1.26 0.98 115.64 123.83 3pcf s THR 181 Ca 0.21 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.56 3pcf s THR 181 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3pcf s THR 181 CO 0.13 -0.22 -0.12 0.00 -0.69 0.00 0.00 174.62 173.72 3pcf s ALA 182 N 3.96 1.33 -0.02 7.40 0.00 0.36 -1.20 121.76 133.58 3pcf s ALA 182 Ca 0.59 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3pcf s ALA 182 Cb -0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3pcf s ALA 182 CO 0.20 0.03 -0.10 0.71 0.00 0.00 0.00 175.76 176.59 3pcf s TYR 183 N -2.36 1.01 -0.18 0.00 1.51 -0.04 0.75 117.35 118.04 3pcf s TYR 183 Ca 0.08 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 3pcf s TYR 183 Cb -0.03 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 3pcf s TYR 183 CO 0.02 -0.06 -0.01 0.50 -1.11 0.00 0.00 175.55 174.88 3pcf s ARG 184 N -0.03 3.68 -0.28 -0.62 3.52 -0.52 -1.47 118.95 123.24 3pcf s ARG 184 Ca 0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3pcf s ARG 184 Cb -0.07 -3.03 0.09 0.00 -1.56 0.00 0.00 34.95 30.38 3pcf s ARG 184 CO 0.00 0.13 0.07 0.12 -0.81 0.00 0.00 175.30 174.81 3pcf s PHE 185 N 0.68 1.67 -0.13 5.12 5.36 0.17 -1.62 117.98 129.24 3pcf s PHE 185 Ca -0.01 -1.58 -0.11 0.00 -0.96 0.00 0.00 56.93 54.28 3pcf s PHE 185 Cb -0.14 -1.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.91 3pcf s PHE 185 CO 0.02 -0.81 0.23 -0.51 -1.46 0.00 0.00 175.22 172.69 3pcf s ASP 186 N 1.63 6.44 -0.15 6.13 1.01 -1.26 -3.80 116.67 126.67 3pcf s ASP 186 Ca 0.06 0.52 -0.04 0.00 0.71 0.00 0.00 52.55 53.79 3pcf s ASP 186 Cb -0.17 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 3pcf s ASP 186 CO -0.19 0.25 -0.00 -0.63 0.21 0.00 0.00 175.17 174.81 3pcf s ILE 187 N -0.30 4.22 -0.25 0.77 1.01 -0.31 -4.97 121.20 121.37 3pcf s ILE 187 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3pcf s ILE 187 Cb -0.13 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.52 3pcf s ILE 187 CO 0.04 0.51 -0.08 -0.13 0.00 0.00 0.00 174.94 175.28 3pcf s ARG 188 N 0.13 2.75 0.20 2.79 0.52 -1.26 -1.04 118.95 123.04 3pcf s ARG 188 Ca 0.01 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 3pcf s ARG 188 Cb -0.13 -2.94 0.12 0.00 0.52 0.00 0.00 34.95 32.52 3pcf s ARG 188 CO 0.02 -0.41 1.48 0.82 0.02 0.00 0.00 175.30 177.23 3pcf h ILE 189 N 6.21 1.38 -2.85 1.52 2.04 -1.10 0.76 117.51 125.48 3pcf h ILE 189 Ca -0.32 -2.08 -0.11 0.00 1.00 0.00 0.00 64.86 63.35 3pcf h ILE 189 Cb 1.10 2.06 -0.20 0.00 -0.74 0.00 0.00 36.82 39.05 3pcf h ILE 189 CO 0.56 0.62 -0.19 -1.58 0.00 0.00 0.00 178.15 177.57 3pcf s GLN 190 N -3.67 0.75 1.18 2.37 0.74 -1.26 -4.75 119.66 115.02 3pcf s GLN 190 Ca -0.05 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3pcf s GLN 190 Cb 0.11 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.56 3pcf s GLN 190 CO 0.82 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 3pcf n GLY 191 N 1.18 -0.59 3.63 2.59 0.00 -1.26 -4.16 105.19 106.57 3pcf n GLY 191 Ca -0.21 -1.57 -0.50 0.00 0.00 0.00 0.00 46.02 43.75 3pcf n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcf n GLU 192 N 0.00 1.80 -1.45 1.61 2.13 -1.26 -1.12 120.64 122.35 3pcf n GLU 192 Ca 0.00 0.62 -0.04 0.00 0.66 0.00 0.00 57.16 58.40 3pcf n GLU 192 Cb 0.00 -2.60 -0.01 0.00 0.27 0.00 0.00 31.44 29.10 3pcf n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcf n GLY 193 N 4.97 0.52 3.66 8.31 0.00 -1.26 -4.96 105.19 116.43 3pcf n GLY 193 Ca 0.28 -0.83 -0.49 0.00 0.00 0.00 0.00 46.02 44.98 3pcf n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcf n GLU 194 N -2.36 1.85 -1.98 1.61 2.13 -0.28 -4.60 120.64 117.01 3pcf n GLU 194 Ca -0.04 0.67 -0.41 0.00 0.66 0.00 0.00 57.16 58.04 3pcf n GLU 194 Cb 0.27 -2.42 -0.02 0.00 0.27 0.00 0.00 31.44 29.54 3pcf n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcf s THR 195 N 1.86 2.55 0.31 6.31 2.01 0.26 -4.95 115.64 124.00 3pcf s THR 195 Ca 0.85 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 3pcf s THR 195 Cb -0.78 -3.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 3pcf s THR 195 CO 0.46 0.08 1.34 -0.69 -0.69 0.00 0.00 174.62 175.13 3pcf s VAL 196 N -0.25 2.69 0.09 3.82 1.01 -1.26 -4.95 120.40 121.56 3pcf s VAL 196 Ca 0.58 0.66 0.07 0.00 0.00 0.00 0.00 61.98 63.29 3pcf s VAL 196 Cb -0.43 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3pcf s VAL 196 CO 0.47 0.15 -0.19 -0.36 0.00 0.00 0.00 175.10 175.17 3pcf s PHE 197 N -0.86 1.59 0.29 5.22 0.08 -1.26 -4.73 117.98 118.30 3pcf s PHE 197 Ca 0.51 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 57.22 3pcf s PHE 197 Cb -0.40 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 3pcf s PHE 197 CO 0.51 0.15 0.11 -0.06 -0.10 0.00 0.00 175.22 175.83 3pcf s PHE 198 N -1.18 2.82 -0.06 0.36 0.08 0.79 -5.00 117.98 115.78 3pcf s PHE 198 Ca 0.04 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3pcf s PHE 198 Cb -0.10 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 3pcf s PHE 198 CO 0.03 0.49 -0.06 0.34 -0.10 0.00 0.00 175.22 175.92 3pcf s ASP 199 N -3.78 1.43 0.00 1.36 2.15 -1.26 -4.28 116.67 112.29 3pcf s ASP 199 Ca 0.34 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.13 3pcf s ASP 199 Cb -0.06 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 3pcf s ASP 199 CO 0.22 -0.06 0.00 2.22 -0.17 0.00 0.00 175.17 177.38