#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 4.80 -0.05 4.25 -1.09 -1.26 -5.07 121.20 122.78 3pcf s ILE 2 Ca 0.00 1.47 0.06 0.00 -2.23 0.00 0.00 60.65 59.95 3pcf s ILE 2 Cb 0.00 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 3pcf s ILE 2 CO 0.00 0.39 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.26 3pcf s GLU 3 N -0.11 2.33 0.43 2.79 0.41 -1.26 -5.14 118.70 118.15 3pcf s GLU 3 Ca 0.35 -0.82 0.06 0.00 -0.41 0.00 0.00 54.97 54.16 3pcf s GLU 3 Cb -0.20 -1.98 0.07 0.00 -1.78 0.00 0.00 34.13 30.25 3pcf s GLU 3 CO 0.21 0.34 0.60 1.28 -0.49 0.00 0.00 175.26 177.19 3pcf n LEU 4 N 3.01 0.00 -4.75 1.80 4.32 -1.26 -5.05 117.00 115.07 3pcf n LEU 4 Ca -0.18 -1.81 -0.41 0.00 -0.02 0.00 0.00 56.01 53.60 3pcf n LEU 4 Cb 0.52 -0.32 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 3pcf n LEU 4 CO 0.25 -0.67 0.93 -0.76 -1.22 0.00 0.00 177.39 175.92 3pcf s LEU 5 N 0.00 4.45 0.42 2.23 1.43 -1.26 -4.96 118.68 121.00 3pcf s LEU 5 Ca 0.45 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.75 3pcf s LEU 5 Cb -0.03 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 3pcf s LEU 5 CO 0.29 -0.43 1.23 -2.16 0.23 0.00 0.00 176.35 175.51 3pcf s PRO 6 N -0.99 3.90 0.57 1.29 0.04 -1.26 -4.99 135.00 133.56 3pcf s PRO 6 Ca 0.51 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.33 3pcf s PRO 6 Cb -0.36 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 3pcf s PRO 6 CO 0.44 -0.49 1.12 -2.00 0.04 0.00 0.00 177.00 176.11 3pcf s GLU 7 N -2.40 3.24 0.09 4.56 2.12 -1.26 -4.94 118.70 120.11 3pcf s GLU 7 Ca 0.59 1.55 -0.31 0.00 0.36 0.00 0.00 54.97 57.16 3pcf s GLU 7 Cb -0.33 -2.00 -0.09 0.00 0.26 0.00 0.00 34.13 31.97 3pcf s GLU 7 CO 0.42 -0.93 1.68 0.99 -0.54 0.00 0.00 175.26 176.88 3pcf s THR 8 N -1.92 2.88 0.38 -1.70 2.01 -1.26 -4.93 115.64 111.10 3pcf s THR 8 Ca 0.71 0.39 -0.27 0.00 0.31 0.00 0.00 61.69 62.83 3pcf s THR 8 Cb -0.23 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 3pcf s THR 8 CO 0.30 0.00 1.38 -2.84 -0.69 0.00 0.00 174.62 172.77 3pcf s PRO 9 N 2.50 4.11 0.71 4.92 0.02 -1.26 -5.00 135.00 140.99 3pcf s PRO 9 Ca 0.75 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 64.00 3pcf s PRO 9 Cb -0.42 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.20 3pcf s PRO 9 CO 0.33 -0.44 1.07 0.45 -0.33 0.00 0.00 177.00 178.07 3pcf s SER 10 N -0.43 5.29 0.02 2.53 0.15 -1.26 -5.09 113.70 114.91 3pcf s SER 10 Ca 0.53 1.51 -0.09 0.00 0.70 0.00 0.00 55.95 58.61 3pcf s SER 10 Cb -0.42 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 3pcf s SER 10 CO 0.56 -1.49 0.17 -1.10 1.20 0.00 0.00 173.24 172.58 3pcf s GLN 11 N -5.10 0.59 0.65 5.44 -1.52 -1.16 -4.89 119.66 113.68 3pcf s GLN 11 Ca 0.58 -0.50 -0.17 0.00 -1.95 0.00 0.00 55.36 53.32 3pcf s GLN 11 Cb -0.14 0.24 -0.03 0.00 -0.22 0.00 0.00 33.01 32.87 3pcf s GLN 11 CO 0.55 -0.16 0.92 -2.37 -0.25 0.00 0.00 175.29 173.98 3pcf n THR 12 N 1.08 3.32 0.16 -0.19 5.66 -1.09 -4.80 114.28 118.42 3pcf n THR 12 Ca -0.21 -0.45 0.04 0.00 -3.05 0.00 0.00 64.05 60.37 3pcf n THR 12 Cb 0.57 -1.09 0.20 0.00 -1.55 0.00 0.00 70.33 68.46 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 0.15 0.84 0.00 1.79 0.00 -1.74 -3.50 119.26 116.80 3pcf h ALA 13 Ca -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3pcf h ALA 13 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcf h ALA 13 CO 0.49 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3pcf n GLY 14 N 0.66 -1.65 0.23 0.00 0.00 -1.26 -3.98 105.19 99.18 3pcf n GLY 14 Ca 0.01 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.00 -0.64 1.61 0.13 -1.93 -3.14 132.00 128.03 3pcf h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcf h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcf h PRO 15 CO 0.00 0.21 0.00 0.66 -0.23 0.00 0.00 178.00 178.64 3pcf n TYR 16 N -3.49 1.32 -0.34 1.56 4.01 -1.26 -4.54 117.16 114.42 3pcf n TYR 16 Ca -0.01 -0.51 0.36 0.00 -0.16 0.00 0.00 57.90 57.59 3pcf n TYR 16 Cb 0.38 -0.26 0.76 0.00 -0.31 0.00 0.00 39.34 39.91 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 3.31 0.39 -0.37 -0.72 3.04 -1.67 -0.72 116.25 119.51 3pcf h VAL 17 Ca 0.00 -0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 3pcf h VAL 17 Cb 1.33 0.39 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 3pcf h VAL 17 CO 0.24 0.00 0.25 0.45 -1.01 0.00 0.00 177.57 177.49 3pcf h HIS 18 N 0.00 0.44 -0.60 3.17 3.86 -1.87 -1.33 115.15 118.82 3pcf h HIS 18 Ca 0.58 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.74 3pcf h HIS 18 Cb 2.32 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 30.62 3pcf h HIS 18 CO -0.00 0.27 0.13 -0.84 0.86 0.00 0.00 177.93 178.35 3pcf h ILE 19 N 0.47 1.24 0.17 2.45 3.07 -1.39 0.39 117.51 123.91 3pcf h ILE 19 Ca 0.14 -0.90 -0.24 0.00 1.55 0.00 0.00 64.86 65.41 3pcf h ILE 19 Cb 0.00 0.64 0.02 0.00 -0.27 0.00 0.00 36.82 37.22 3pcf h ILE 19 CO -0.03 0.34 -1.07 1.23 -1.05 0.00 0.00 178.15 177.56 3pcf h GLY 20 N 1.02 0.42 0.00 0.16 0.00 -1.61 -3.41 103.07 99.64 3pcf h GLY 20 Ca 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3pcf h GLY 20 CO 0.00 0.93 0.00 1.04 0.00 0.00 0.00 176.54 178.51 3pcf n LEU 21 N -3.99 1.47 -2.76 3.11 4.77 -0.54 -4.83 117.00 114.23 3pcf n LEU 21 Ca -0.16 -1.47 -0.09 0.00 -0.03 0.00 0.00 56.01 54.26 3pcf n LEU 21 Cb 0.91 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.09 3pcf n LEU 21 CO 0.51 0.37 0.31 0.00 -1.33 0.00 0.00 177.39 177.26 3pcf n ALA 22 N -0.25 0.10 -0.26 -1.18 0.00 0.09 -4.96 120.51 114.05 3pcf n ALA 22 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 53.44 51.72 3pcf n ALA 22 Cb 0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3pcf n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3pcf n LEU 23 N 0.10 -0.66 -0.05 0.00 4.32 -0.98 -0.48 117.00 119.25 3pcf n LEU 23 Ca 0.06 1.18 -0.12 0.00 -0.02 0.00 0.00 56.01 57.10 3pcf n LEU 23 Cb 0.74 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 3pcf n LEU 23 CO 0.03 -0.94 0.57 1.05 -1.22 0.00 0.00 177.39 176.89 3pcf h GLU 24 N 0.00 -0.42 -0.83 3.23 -0.00 -1.86 -0.41 114.58 114.28 3pcf h GLU 24 Ca 0.10 0.03 0.21 0.00 -0.00 0.00 0.00 59.36 59.70 3pcf h GLU 24 Cb 0.25 0.10 -0.14 0.00 -0.00 0.00 0.00 28.75 28.96 3pcf h GLU 24 CO -0.58 -0.28 0.16 0.00 -0.00 0.00 0.00 179.01 178.31 3pcf h ALA 25 N 0.17 1.10 0.00 1.06 0.00 -1.10 2.22 119.26 122.72 3pcf h ALA 25 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3pcf h ALA 25 Cb 0.62 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3pcf h ALA 25 CO -0.47 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.34 3pcf h ALA 26 N 1.75 1.00 -0.13 0.00 0.00 -0.26 -3.44 119.26 118.17 3pcf h ALA 26 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3pcf h ALA 26 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3pcf h ALA 26 CO -0.65 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.01 3pcf n GLY 27 N -0.96 0.61 3.58 0.00 0.00 0.75 -4.99 105.19 104.18 3pcf n GLY 27 Ca -0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.89 4.28 0.52 1.61 0.01 -0.84 -5.03 114.94 112.60 3pcf s ASN 28 Ca 0.00 -0.56 -0.22 0.00 -0.71 0.00 0.00 52.86 51.37 3pcf s ASN 28 Cb 0.00 -0.74 -0.07 0.00 0.41 0.00 0.00 41.25 40.85 3pcf s ASN 28 CO 0.00 0.10 1.16 -0.81 -1.51 0.00 0.00 177.10 176.05 3pcf n PRO 29 N 0.05 1.44 -3.17 -0.60 -0.04 -1.26 -3.76 135.00 127.66 3pcf n PRO 29 Ca -0.11 0.53 -0.18 0.00 -0.04 0.00 0.00 63.50 63.70 3pcf n PRO 29 Cb 0.55 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.33 3.12 0.64 0.52 -4.23 -1.26 -4.80 115.64 108.29 3pcf s THR 30 Ca 0.69 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3pcf s THR 30 Cb -0.46 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.40 3pcf s THR 30 CO 0.52 -0.03 0.89 -0.13 -0.54 0.00 0.00 174.62 175.33 3pcf s ARG 31 N -4.28 2.12 0.15 3.99 0.52 -1.26 -5.02 118.95 115.18 3pcf s ARG 31 Ca 0.52 -0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 54.56 3pcf s ARG 31 Cb -0.09 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.01 3pcf s ARG 31 CO 0.32 -1.08 1.60 -0.44 0.02 0.00 0.00 175.30 175.72 3pcf h ASP 32 N -0.23 -1.07 -3.28 0.23 3.32 -2.07 -3.39 116.42 109.93 3pcf h ASP 32 Ca -0.39 0.18 -0.67 0.00 0.02 0.00 0.00 57.03 56.16 3pcf h ASP 32 Cb 1.28 0.48 -0.32 0.00 0.22 0.00 0.00 39.33 41.00 3pcf h ASP 32 CO 0.47 -0.33 -0.85 -1.10 -1.72 0.00 0.00 179.24 175.71 3pcf s GLN 33 N -5.99 3.12 0.03 3.56 -0.21 -1.26 -5.12 119.66 113.79 3pcf s GLN 33 Ca -0.15 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.46 3pcf s GLN 33 Cb 0.12 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 3pcf s GLN 33 CO 0.67 0.09 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.57 3pcf s GLU 34 N 0.59 1.01 -0.49 2.91 0.41 -1.26 -5.11 118.70 116.77 3pcf s GLU 34 Ca -0.11 -0.70 -0.22 0.00 -0.41 0.00 0.00 54.97 53.53 3pcf s GLU 34 Cb -0.16 -1.02 0.04 0.00 -1.78 0.00 0.00 34.13 31.21 3pcf s GLU 34 CO 0.03 0.26 0.77 0.42 -0.49 0.00 0.00 175.26 176.25 3pcf s ILE 35 N -0.71 4.66 0.00 -1.63 1.01 -1.26 -4.99 121.20 118.28 3pcf s ILE 35 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3pcf s ILE 35 Cb -0.07 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3pcf s ILE 35 CO 0.01 -0.83 0.00 1.87 0.00 0.00 0.00 174.94 175.99 3pcf n TRP 36 N 6.73 0.00 0.33 3.97 -0.00 -1.26 -4.55 117.44 122.66 3pcf n TRP 36 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.51 3pcf n TRP 36 Cb 0.47 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 31.92 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 -0.14 2.71 -3.90 5.87 6.94 0.12 -1.83 115.26 125.02 3pcf n ASN 37 Ca 0.00 -2.34 -0.30 0.00 -0.02 0.00 0.00 54.58 51.92 3pcf n ASN 37 Cb 0.00 -0.57 -0.14 0.00 -2.36 0.00 0.00 39.78 36.71 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 -1.59 1.77 0.35 -3.83 3.52 -1.26 -1.36 118.95 116.56 3pcf s ARG 38 Ca 0.19 -2.40 0.19 0.00 -0.13 0.00 0.00 55.73 53.58 3pcf s ARG 38 Cb 0.15 -3.09 0.46 0.00 -1.56 0.00 0.00 34.95 30.92 3pcf s ARG 38 CO 0.05 -1.10 1.63 -0.07 -0.81 0.00 0.00 175.30 175.00 3pcf h LEU 39 N 6.68 0.00 -8.39 -0.88 4.07 -1.11 -3.45 115.31 112.22 3pcf h LEU 39 Ca -0.06 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.24 3pcf h LEU 39 Cb 0.91 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 42.34 3pcf h LEU 39 CO 0.63 0.37 -0.87 0.00 -1.08 0.00 0.00 178.44 177.49 3pcf s ALA 40 N -3.32 1.98 0.45 1.53 0.00 -1.19 -0.31 121.76 120.90 3pcf s ALA 40 Ca 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 3pcf s ALA 40 Cb 0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 3pcf s ALA 40 CO 0.70 0.36 0.81 0.15 0.00 0.00 0.00 175.76 177.79 3pcf s LYS 41 N -0.05 3.73 0.32 0.00 1.02 0.31 -4.85 119.74 120.21 3pcf s LYS 41 Ca -0.05 0.48 0.08 0.00 0.02 0.00 0.00 55.97 56.51 3pcf s LYS 41 Cb -0.14 -2.34 0.93 0.00 -0.52 0.00 0.00 37.83 35.76 3pcf s LYS 41 CO 0.04 -0.14 1.62 -1.35 -0.92 0.00 0.00 175.35 174.60 3pcf h PRO 42 N 0.89 0.15 -0.94 -1.68 0.11 -2.00 0.28 132.00 128.81 3pcf h PRO 42 Ca -0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 3pcf h PRO 42 Cb 1.19 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3pcf h PRO 42 CO 0.63 0.10 0.18 -0.40 -0.21 0.00 0.00 178.00 178.30 3pcf n ASP 43 N -5.25 3.18 -4.84 -2.05 5.75 -1.26 -4.89 116.55 107.19 3pcf n ASP 43 Ca 0.27 -2.56 -0.36 0.00 -0.01 0.00 0.00 54.79 52.13 3pcf n ASP 43 Cb 0.88 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.46 3.63 0.68 2.12 0.00 0.09 -5.04 121.76 121.77 3pcf s ALA 44 Ca 0.23 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 3pcf s ALA 44 Cb 0.19 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3pcf s ALA 44 CO 0.05 0.48 1.08 -1.25 0.00 0.00 0.00 175.76 176.12 3pcf s PRO 45 N -1.74 2.79 0.00 0.00 0.04 -1.26 -4.90 135.00 129.93 3pcf s PRO 45 Ca 0.34 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3pcf s PRO 45 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3pcf s PRO 45 CO 0.18 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3pcf n GLY 46 N -1.06 0.82 3.57 0.56 0.00 -1.26 -4.60 105.19 103.22 3pcf n GLY 46 Ca 0.09 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.28 3.68 0.00 1.61 2.12 -1.26 -4.98 118.70 118.59 3pcf s GLU 47 Ca 0.00 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 3pcf s GLU 47 Cb 0.00 -3.82 -0.06 0.00 0.26 0.00 0.00 34.13 30.52 3pcf s GLU 47 CO 0.00 -0.79 1.40 -1.01 -0.54 0.00 0.00 175.26 174.32 3pcf s HIS 48 N 2.84 2.87 0.15 5.30 3.76 -1.26 -1.65 115.29 127.29 3pcf s HIS 48 Ca 0.26 0.83 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 3pcf s HIS 48 Cb -0.14 -3.66 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 3pcf s HIS 48 CO 0.16 -2.43 -0.04 0.96 -0.85 0.00 0.00 174.74 172.54 3pcf s ILE 49 N 2.36 0.81 -0.15 0.60 -4.36 -0.50 -4.54 121.20 115.43 3pcf s ILE 49 Ca 0.64 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 3pcf s ILE 49 Cb -0.31 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3pcf s ILE 49 CO 0.26 -0.64 -0.11 -0.22 0.24 0.00 0.00 174.94 174.48 3pcf s LEU 50 N -3.14 2.81 -0.11 0.37 2.96 0.00 -2.20 118.68 119.36 3pcf s LEU 50 Ca 0.19 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3pcf s LEU 50 Cb 0.05 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3pcf s LEU 50 CO 0.01 0.14 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.35 3pcf s LEU 51 N 0.54 3.17 -0.00 -0.68 1.43 0.07 -0.81 118.68 122.39 3pcf s LEU 51 Ca -0.07 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3pcf s LEU 51 Cb -0.15 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3pcf s LEU 51 CO 0.04 0.27 0.24 -1.48 0.23 0.00 0.00 176.35 175.64 3pcf s LEU 52 N -0.22 1.14 0.08 1.79 -0.00 -0.72 -0.65 118.68 120.10 3pcf s LEU 52 Ca 0.03 -0.07 -0.27 0.00 -0.00 0.00 0.00 54.13 53.82 3pcf s LEU 52 Cb -0.13 1.04 0.09 0.00 -0.00 0.00 0.00 46.19 47.19 3pcf s LEU 52 CO 0.03 -0.44 1.10 -0.83 -0.00 0.00 0.00 176.35 176.21 3pcf s GLY 53 N -1.45 -0.29 0.18 -3.48 0.00 -1.00 0.06 107.32 101.33 3pcf s GLY 53 Ca -0.13 0.33 0.07 0.00 0.00 0.00 0.00 44.72 44.99 3pcf s GLY 53 CO 0.02 0.24 -0.15 1.20 0.00 0.00 0.00 173.10 174.42 3pcf s GLN 54 N -2.87 1.23 -0.06 2.90 -0.21 -1.25 -1.30 119.66 118.09 3pcf s GLN 54 Ca 0.14 -1.47 0.06 0.00 0.02 0.00 0.00 55.36 54.10 3pcf s GLN 54 Cb 0.01 -1.06 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 3pcf s GLN 54 CO -0.00 0.19 -0.25 0.08 -2.12 0.00 0.00 175.29 173.19 3pcf s VAL 55 N -2.69 2.03 -0.07 1.09 1.01 -1.26 -1.17 120.40 119.35 3pcf s VAL 55 Ca 0.18 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3pcf s VAL 55 Cb -0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3pcf s VAL 55 CO 0.05 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.16 3pcf s TYR 56 N -0.09 2.48 0.97 5.22 2.02 0.47 -0.55 117.35 127.87 3pcf s TYR 56 Ca -0.06 -0.75 -0.16 0.00 -0.37 0.00 0.00 57.07 55.73 3pcf s TYR 56 Cb -0.14 -1.62 0.21 0.00 -0.40 0.00 0.00 41.96 40.00 3pcf s TYR 56 CO 0.04 -0.23 1.33 0.16 -1.57 0.00 0.00 175.55 175.28 3pcf s ASP 57 N -0.09 3.06 0.03 2.29 1.47 0.42 -1.07 116.67 122.78 3pcf s ASP 57 Ca -0.06 0.23 0.13 0.00 1.18 0.00 0.00 52.55 54.03 3pcf s ASP 57 Cb -0.14 -0.25 0.55 0.00 -0.34 0.00 0.00 42.92 42.74 3pcf s ASP 57 CO 0.04 -2.77 1.40 0.61 0.68 0.00 0.00 175.17 175.14 3pcf n GLY 58 N -3.78 -0.93 0.64 2.12 0.00 -1.26 -1.62 105.19 100.36 3pcf n GLY 58 Ca 0.16 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.58 2.31 0.00 1.61 3.02 -1.26 -4.77 115.26 114.59 3pcf n ASN 59 Ca 0.03 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 3pcf n ASN 59 Cb 0.14 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.40 0.59 3.77 7.41 0.00 -0.64 -5.05 105.19 112.66 3pcf n GLY 60 Ca 0.11 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 3.30 0.19 1.61 3.76 -1.26 -4.85 115.29 116.05 3pcf s HIS 61 Ca 0.00 0.25 -0.32 0.00 -0.15 0.00 0.00 55.06 54.84 3pcf s HIS 61 Cb 0.00 -1.78 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 3pcf s HIS 61 CO 0.00 0.56 1.70 -0.51 -0.85 0.00 0.00 174.74 175.64 3pcf s LEU 62 N -1.41 4.37 -0.55 0.89 1.43 -1.26 -0.43 118.68 121.71 3pcf s LEU 62 Ca 0.19 2.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.90 3pcf s LEU 62 Cb -0.12 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.58 3pcf s LEU 62 CO 0.09 -0.94 0.70 -0.69 0.23 0.00 0.00 176.35 175.74 3pcf s VAL 63 N 1.31 4.77 -2.20 -1.59 1.01 0.29 -4.85 120.40 119.14 3pcf s VAL 63 Ca 0.74 -0.62 0.18 0.00 0.00 0.00 0.00 61.98 62.29 3pcf s VAL 63 Cb -0.48 -4.42 0.42 0.00 0.00 0.00 0.00 36.38 31.90 3pcf s VAL 63 CO 0.32 -1.00 1.45 0.54 0.00 0.00 0.00 175.10 176.40 3pcf n ARG 64 N 6.45 1.88 -0.50 2.72 1.74 -1.26 -4.14 116.66 123.55 3pcf n ARG 64 Ca -0.07 -1.35 0.06 0.00 -0.77 0.00 0.00 57.85 55.73 3pcf n ARG 64 Cb 0.44 -1.38 0.13 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.57 1.61 -4.83 0.55 5.68 -1.26 -4.27 116.55 114.60 3pcf n ASP 65 Ca 0.16 -3.07 -0.32 0.00 -0.50 0.00 0.00 54.79 51.06 3pcf n ASP 65 Cb 0.36 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 -2.61 6.07 -0.03 -1.12 1.04 -1.26 -4.55 113.70 111.24 3pcf s SER 66 Ca 0.30 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.37 3pcf s SER 66 Cb 0.28 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.92 3pcf s SER 66 CO -0.03 -0.97 -0.04 0.12 0.98 0.00 0.00 173.24 173.30 3pcf s PHE 67 N -2.74 0.61 0.03 5.02 5.36 -0.17 -2.43 117.98 123.66 3pcf s PHE 67 Ca 0.60 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.48 3pcf s PHE 67 Cb -0.13 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.98 3pcf s PHE 67 CO 0.41 -0.15 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.36 3pcf s LEU 68 N 0.77 2.14 -0.07 6.12 1.02 0.71 -0.20 118.68 129.17 3pcf s LEU 68 Ca -0.10 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.67 3pcf s LEU 68 Cb -0.13 -0.71 -0.00 0.00 0.02 0.00 0.00 46.19 45.37 3pcf s LEU 68 CO -0.00 0.09 -0.21 -1.61 0.02 0.00 0.00 176.35 174.64 3pcf s GLU 69 N -0.97 2.47 0.08 1.70 2.02 -0.55 -0.99 118.70 122.46 3pcf s GLU 69 Ca 0.04 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 54.36 3pcf s GLU 69 Cb -0.08 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3pcf s GLU 69 CO 0.01 0.22 -0.25 0.14 0.02 0.00 0.00 175.26 175.40 3pcf s VAL 70 N 0.20 2.07 -0.04 2.63 -7.23 -0.25 -1.02 120.40 116.76 3pcf s VAL 70 Ca -0.11 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3pcf s VAL 70 Cb -0.15 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.02 3pcf s VAL 70 CO 0.05 0.22 0.06 0.86 -0.31 0.00 0.00 175.10 175.98 3pcf s TRP 71 N -0.92 0.09 0.08 2.82 -0.11 -0.46 -1.69 118.94 118.76 3pcf s TRP 71 Ca 0.11 0.23 -0.10 0.00 1.22 0.00 0.00 56.10 57.57 3pcf s TRP 71 Cb -0.10 -0.49 0.00 0.00 -1.50 0.00 0.00 33.47 31.39 3pcf s TRP 71 CO 0.03 -0.19 0.22 1.14 -4.62 0.00 0.00 176.95 173.53 3pcf s GLN 72 N 2.11 0.85 0.68 5.86 -2.07 0.13 -1.30 119.66 125.92 3pcf s GLN 72 Ca 0.04 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.60 3pcf s GLN 72 Cb -0.12 0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 32.15 3pcf s GLN 72 CO -0.03 -0.27 1.06 0.00 -1.32 0.00 0.00 175.29 174.72 3pcf s ALA 73 N -3.64 2.81 1.01 2.60 0.00 -1.26 -4.44 121.76 118.84 3pcf s ALA 73 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3pcf s ALA 73 Cb 0.04 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3pcf s ALA 73 CO -0.10 -1.07 0.15 -0.40 0.00 0.00 0.00 175.76 174.34 3pcf n ASP 74 N -3.01 -0.25 0.32 0.00 5.68 0.24 -4.36 116.55 115.17 3pcf n ASP 74 Ca 0.07 -0.95 0.20 0.00 -0.50 0.00 0.00 54.79 53.61 3pcf n ASP 74 Cb 0.54 -0.12 1.03 0.00 -1.14 0.00 0.00 41.12 41.43 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 -2.00 1.03 -0.34 2.12 0.00 -1.81 0.12 119.26 118.37 3pcf h ALA 75 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3pcf h ALA 75 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3pcf h ALA 75 CO 0.04 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3pcf n ASN 76 N -3.13 2.23 -1.82 0.00 3.02 -1.26 -3.75 115.26 110.55 3pcf n ASN 76 Ca -0.02 -1.90 -0.11 0.00 -0.03 0.00 0.00 54.58 52.52 3pcf n ASN 76 Cb 0.15 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.21 0.24 3.22 7.41 0.00 -0.50 -4.77 105.19 112.00 3pcf n GLY 77 Ca 0.16 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.48 3.08 -0.40 1.61 2.12 -1.25 -4.67 118.70 113.72 3pcf s GLU 78 Ca 0.24 -0.85 -0.28 0.00 0.36 0.00 0.00 54.97 54.44 3pcf s GLU 78 Cb -0.11 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.93 3pcf s GLU 78 CO 0.30 0.13 1.03 0.71 -0.54 0.00 0.00 175.26 176.88 3pcf s TYR 79 N 0.48 3.00 -0.67 5.30 2.02 -1.26 0.83 117.35 127.05 3pcf s TYR 79 Ca -0.15 0.82 -0.19 0.00 -0.37 0.00 0.00 57.07 57.18 3pcf s TYR 79 Cb -0.17 -3.94 0.11 0.00 -0.40 0.00 0.00 41.96 37.56 3pcf s TYR 79 CO 0.06 -0.98 0.79 -0.65 -1.57 0.00 0.00 175.55 173.20 3pcf s GLN 80 N 3.86 3.17 0.05 -0.62 -1.52 -1.26 -4.90 119.66 118.44 3pcf s GLN 80 Ca 0.43 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.47 3pcf s GLN 80 Cb -0.10 -4.36 -0.23 0.00 -0.22 0.00 0.00 33.01 28.09 3pcf s GLN 80 CO 0.23 -1.58 1.00 0.38 -0.25 0.00 0.00 175.29 175.07 3pcf h ASP 81 N 9.05 0.09 -1.38 5.90 2.03 -1.97 -3.17 116.42 126.97 3pcf h ASP 81 Ca -0.20 -0.12 -0.41 0.00 -0.73 0.00 0.00 57.03 55.57 3pcf h ASP 81 Cb 1.07 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.50 3pcf h ASP 81 CO 1.08 1.10 1.06 0.00 -1.03 0.00 0.00 179.24 181.45 3pcf s ALA 82 N -2.66 1.97 0.04 4.15 0.00 -1.26 -4.92 121.76 119.09 3pcf s ALA 82 Ca -0.03 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 3pcf s ALA 82 Cb 0.09 -4.43 -0.06 0.00 0.00 0.00 0.00 23.12 18.72 3pcf s ALA 82 CO 0.83 -4.29 1.36 -0.47 0.00 0.00 0.00 175.76 173.18 3pcf s TYR 83 N 9.28 3.08 -0.28 0.00 6.14 -1.26 -5.01 117.35 129.30 3pcf s TYR 83 Ca 0.67 0.95 -0.19 0.00 0.64 0.00 0.00 57.07 59.14 3pcf s TYR 83 Cb -0.09 -3.62 0.09 0.00 0.42 0.00 0.00 41.96 38.76 3pcf s TYR 83 CO 0.09 -2.19 0.77 1.21 0.64 0.00 0.00 175.55 176.07 3pcf s ASN 84 N 1.50 -0.80 0.56 4.32 3.84 -1.26 -5.02 114.94 118.08 3pcf s ASN 84 Ca 0.63 1.35 0.35 0.00 0.21 0.00 0.00 52.86 55.40 3pcf s ASN 84 Cb -0.32 1.34 1.52 0.00 -0.55 0.00 0.00 41.25 43.24 3pcf s ASN 84 CO 0.28 -0.22 2.04 -0.07 -2.79 0.00 0.00 177.10 176.34 3pcf h LEU 85 N 6.21 0.00 -0.85 3.21 3.38 -1.97 -1.92 115.31 123.37 3pcf h LEU 85 Ca -0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3pcf h LEU 85 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3pcf h LEU 85 CO 0.14 0.00 -0.56 -0.33 0.09 0.00 0.00 178.44 177.78 3pcf h GLU 86 N 0.00 0.04 -6.98 1.13 5.08 -2.00 -3.46 114.58 108.39 3pcf h GLU 86 Ca 0.00 -0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.79 3pcf h GLU 86 Cb 0.43 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.87 3pcf h GLU 86 CO 0.00 0.59 0.05 0.09 -1.00 0.00 0.00 179.01 178.74 3pcf n ASN 87 N -3.88 0.19 0.03 1.42 3.02 -0.72 -4.91 115.26 110.42 3pcf n ASN 87 Ca -0.01 0.60 -0.07 0.00 -0.03 0.00 0.00 54.58 55.06 3pcf n ASN 87 Cb 0.57 -1.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.23 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 -0.62 0.53 -3.23 5.41 0.00 -1.88 -3.44 119.26 116.03 3pcf h ALA 88 Ca -0.46 -1.08 -0.21 0.00 0.00 0.00 0.00 54.91 53.16 3pcf h ALA 88 Cb 1.32 0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.91 3pcf h ALA 88 CO 0.45 1.32 -0.54 0.12 0.00 0.00 0.00 179.25 180.60 3pcf s PHE 89 N -2.69 -0.21 -0.09 0.00 2.19 -1.26 0.11 117.98 116.03 3pcf s PHE 89 Ca -0.01 0.54 0.03 0.00 0.33 0.00 0.00 56.93 57.82 3pcf s PHE 89 Cb 0.09 0.00 -0.01 0.00 -1.31 0.00 0.00 43.02 41.79 3pcf s PHE 89 CO 0.82 -0.15 -0.18 -0.80 1.83 0.00 0.00 175.22 176.73 3pcf s ASN 90 N 0.77 3.61 0.26 6.13 0.01 0.58 -4.98 114.94 121.33 3pcf s ASN 90 Ca -0.06 -0.39 0.25 0.00 -0.71 0.00 0.00 52.86 51.95 3pcf s ASN 90 Cb -0.07 -1.24 0.96 0.00 0.41 0.00 0.00 41.25 41.31 3pcf s ASN 90 CO -0.04 0.22 1.74 -1.20 -1.51 0.00 0.00 177.10 176.30 3pcf n SER 91 N 3.15 0.75 -4.45 -1.22 7.64 -1.20 -4.70 113.62 113.59 3pcf n SER 91 Ca -0.18 0.66 -0.32 0.00 1.01 0.00 0.00 58.87 60.04 3pcf n SER 91 Cb 0.52 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.77 3pcf n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3pcf s PHE 92 N -3.29 2.60 0.27 1.43 2.19 -1.26 -0.70 117.98 119.22 3pcf s PHE 92 Ca 0.05 -0.23 -0.12 0.00 0.33 0.00 0.00 56.93 56.96 3pcf s PHE 92 Cb 0.10 -1.54 -0.00 0.00 -1.31 0.00 0.00 43.02 40.27 3pcf s PHE 92 CO 0.44 0.19 0.50 0.20 1.83 0.00 0.00 175.22 178.38 3pcf s GLY 93 N -1.04 0.63 0.00 13.12 0.00 -0.68 -4.83 107.32 114.52 3pcf s GLY 93 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3pcf s GLY 93 CO 0.03 -0.65 -0.02 0.50 0.00 0.00 0.00 173.10 172.96 3pcf s ARG 94 N -3.82 0.13 0.19 2.90 0.52 -0.76 -1.09 118.95 117.01 3pcf s ARG 94 Ca 0.23 -0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.24 3pcf s ARG 94 Cb -0.01 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 3pcf s ARG 94 CO 0.10 0.02 0.31 -0.08 0.02 0.00 0.00 175.30 175.68 3pcf s THR 95 N -0.17 0.04 0.17 0.02 -1.32 -0.16 -0.70 115.64 113.52 3pcf s THR 95 Ca -0.01 -1.44 -0.16 0.00 -1.21 0.00 0.00 61.69 58.87 3pcf s THR 95 Cb -0.01 -1.98 0.03 0.00 -1.51 0.00 0.00 72.50 69.03 3pcf s THR 95 CO -0.00 -0.20 0.46 0.00 -2.21 0.00 0.00 174.62 172.67 3pcf s ALA 96 N -4.00 -0.85 0.13 11.08 0.00 -1.26 -0.21 121.76 126.65 3pcf s ALA 96 Ca 0.20 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 3pcf s ALA 96 Cb 0.03 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.88 3pcf s ALA 96 CO 0.03 -0.73 0.54 0.95 0.00 0.00 0.00 175.76 176.55 3pcf s THR 97 N -3.86 4.85 0.48 0.00 -4.23 -1.02 -4.19 115.64 107.67 3pcf s THR 97 Ca 0.08 0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 61.22 3pcf s THR 97 Cb 0.00 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 70.03 3pcf s THR 97 CO -0.06 0.29 1.22 0.42 -0.54 0.00 0.00 174.62 175.94 3pcf s THR 98 N -1.41 2.84 0.17 3.99 -4.23 -1.18 -4.69 115.64 111.13 3pcf s THR 98 Ca 0.36 0.64 0.22 0.00 -1.18 0.00 0.00 61.69 61.73 3pcf s THR 98 Cb -0.15 -3.32 0.20 0.00 1.34 0.00 0.00 72.50 70.56 3pcf s THR 98 CO 0.19 -0.00 1.81 -0.26 -0.54 0.00 0.00 174.62 175.81 3pcf h PHE 99 N 1.93 0.00 0.00 3.99 0.04 -1.95 -2.16 116.94 118.78 3pcf h PHE 99 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3pcf h PHE 99 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3pcf h PHE 99 CO 0.51 0.28 0.00 -0.40 -0.60 0.00 0.00 178.31 178.10 3pcf n ASP 100 N -3.48 0.00 -0.27 2.17 5.75 -1.26 -4.68 116.55 114.79 3pcf n ASP 100 Ca -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 3pcf n ASP 100 Cb 0.44 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.68 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 1.06 -0.04 2.12 0.00 -1.99 -3.47 119.26 114.95 3pcf h ALA 101 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3pcf h ALA 101 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3pcf h ALA 101 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3pcf n GLY 102 N -1.31 0.91 3.36 0.00 0.00 -0.81 -4.95 105.19 102.38 3pcf n GLY 102 Ca 0.12 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.03 2.20 0.23 1.61 2.12 -1.26 -4.30 118.70 116.26 3pcf s GLU 103 Ca 0.00 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.52 3pcf s GLU 103 Cb 0.00 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 3pcf s GLU 103 CO 0.00 0.57 0.18 1.67 -0.54 0.00 0.00 175.26 177.14 3pcf s TRP 104 N -0.66 3.11 -0.02 5.30 1.48 -0.42 -3.11 118.94 124.62 3pcf s TRP 104 Ca 0.11 -0.09 -0.06 0.00 -1.06 0.00 0.00 56.10 54.99 3pcf s TRP 104 Cb -0.10 -1.42 0.00 0.00 -1.16 0.00 0.00 33.47 30.79 3pcf s TRP 104 CO -0.00 0.52 0.14 0.95 -4.06 0.00 0.00 176.95 174.50 3pcf s THR 105 N -2.04 0.06 -0.00 0.66 -4.23 -1.26 -2.39 115.64 106.43 3pcf s THR 105 Ca 0.32 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3pcf s THR 105 Cb -0.08 -0.36 -0.00 0.00 1.34 0.00 0.00 72.50 73.39 3pcf s THR 105 CO 0.24 -0.27 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.79 3pcf s LEU 106 N -0.93 2.01 -0.27 4.79 2.96 0.18 -4.82 118.68 122.59 3pcf s LEU 106 Ca -0.10 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3pcf s LEU 106 Cb -0.06 -0.25 0.05 0.00 0.50 0.00 0.00 46.19 46.43 3pcf s LEU 106 CO 0.01 0.06 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.04 3pcf s HIS 107 N -0.13 3.20 0.00 5.38 3.76 -0.46 -0.75 115.29 126.28 3pcf s HIS 107 Ca 0.02 -1.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.01 3pcf s HIS 107 Cb -0.02 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3pcf s HIS 107 CO -0.00 -0.81 0.00 -2.37 -0.85 0.00 0.00 174.74 170.71 3pcf n THR 108 N 4.58 0.00 -4.20 1.30 5.66 -0.93 -0.57 114.28 120.11 3pcf n THR 108 Ca -0.14 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.68 3pcf n THR 108 Cb 0.44 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.22 1.18 0.01 1.08 -7.23 -1.26 -1.41 120.40 111.55 3pcf s VAL 109 Ca 0.00 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 3pcf s VAL 109 Cb 0.00 -1.32 -0.07 0.00 0.56 0.00 0.00 36.38 35.55 3pcf s VAL 109 CO 0.00 -0.36 1.66 -0.75 -0.31 0.00 0.00 175.10 175.34 3pcf s LYS 110 N -2.31 4.19 0.57 4.82 2.20 -0.66 -4.91 119.74 123.64 3pcf s LYS 110 Ca 0.04 2.26 -0.19 0.00 -0.36 0.00 0.00 55.97 57.73 3pcf s LYS 110 Cb -0.07 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3pcf s LYS 110 CO 0.02 -0.79 1.14 -1.25 -0.36 0.00 0.00 175.35 174.12 3pcf s PRO 111 N 3.38 3.19 0.82 4.03 0.04 -1.26 -4.35 135.00 140.85 3pcf s PRO 111 Ca 0.74 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 3pcf s PRO 111 Cb -0.37 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.31 3pcf s PRO 111 CO 0.31 -0.98 1.16 0.20 0.04 0.00 0.00 177.00 177.73 3pcf s GLY 112 N -1.84 1.69 0.25 0.56 0.00 -0.09 -4.71 107.32 103.19 3pcf s GLY 112 Ca 0.73 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.15 3pcf s GLY 112 CO 0.30 -0.45 0.93 0.14 0.00 0.00 0.00 173.10 174.02 3pcf s VAL 113 N -3.53 4.12 0.02 1.40 1.01 -1.26 -4.32 120.40 117.83 3pcf s VAL 113 Ca 0.66 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.68 3pcf s VAL 113 Cb -0.08 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3pcf s VAL 113 CO 0.48 0.44 -0.11 0.68 0.00 0.00 0.00 175.10 176.60 3pcf s VAL 114 N -1.25 0.85 0.24 2.92 -7.23 -1.26 -4.39 120.40 110.28 3pcf s VAL 114 Ca 0.42 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 3pcf s VAL 114 Cb -0.25 -0.77 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 3pcf s VAL 114 CO 0.30 0.03 0.56 0.20 -0.31 0.00 0.00 175.10 175.88 3pcf s ASN 115 N -0.80 6.61 0.76 4.85 -0.87 -1.26 -0.90 114.94 123.32 3pcf s ASN 115 Ca 0.01 0.91 -0.09 0.00 -1.57 0.00 0.00 52.86 52.11 3pcf s ASN 115 Cb -0.06 -2.22 0.07 0.00 -0.02 0.00 0.00 41.25 39.02 3pcf s ASN 115 CO 0.00 -0.09 1.10 0.54 -2.57 0.00 0.00 177.10 176.08 3pcf s ASN 116 N -2.45 4.67 0.42 -1.22 4.22 0.78 -4.89 114.94 116.48 3pcf s ASN 116 Ca 0.47 0.63 0.20 0.00 -2.14 0.00 0.00 52.86 52.02 3pcf s ASN 116 Cb -0.11 -1.20 1.14 0.00 1.28 0.00 0.00 41.25 42.35 3pcf s ASN 116 CO 0.22 -1.75 1.81 0.00 -2.04 0.00 0.00 177.10 175.35 3pcf h ALA 117 N -0.83 2.30 -0.01 3.54 0.00 -1.99 0.24 119.26 122.52 3pcf h ALA 117 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3pcf h ALA 117 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3pcf h ALA 117 CO 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3pcf n ALA 118 N -2.52 2.64 -0.69 0.00 0.00 -1.26 -4.89 120.51 113.79 3pcf n ALA 118 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3pcf n ALA 118 Cb 0.83 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.90 0.76 3.78 0.00 0.00 0.83 -5.06 105.19 106.41 3pcf n GLY 119 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.78 4.79 0.36 1.61 1.01 -1.25 -4.74 120.40 119.40 3pcf s VAL 120 Ca 0.00 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 3pcf s VAL 120 Cb 0.00 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 3pcf s VAL 120 CO 0.00 0.49 1.17 -2.16 0.00 0.00 0.00 175.10 174.59 3pcf s PRO 121 N -0.66 4.27 -0.03 2.72 0.04 -1.26 -0.15 135.00 139.91 3pcf s PRO 121 Ca 0.31 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.23 3pcf s PRO 121 Cb -0.19 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 3pcf s PRO 121 CO 0.19 -0.15 -0.02 -1.64 0.04 0.00 0.00 177.00 175.42 3pcf s MET 122 N -2.00 2.80 0.70 4.56 -1.94 -0.08 -4.27 119.30 119.07 3pcf s MET 122 Ca 0.52 -0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 53.80 3pcf s MET 122 Cb -0.32 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 33.87 3pcf s MET 122 CO 0.41 0.65 1.15 0.00 -0.01 0.00 0.00 175.02 177.22 3pcf s ALA 123 N -0.98 2.28 0.08 3.03 0.00 -1.26 -4.05 121.76 120.86 3pcf s ALA 123 Ca 0.17 0.67 -0.36 0.00 0.00 0.00 0.00 51.96 52.43 3pcf s ALA 123 Cb -0.11 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 3pcf s ALA 123 CO 0.06 -1.58 1.41 -2.30 0.00 0.00 0.00 175.76 173.35 3pcf n PRO 124 N -2.64 1.35 -3.63 0.00 -0.02 -1.26 -4.88 135.00 123.93 3pcf n PRO 124 Ca 0.12 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3pcf n PRO 124 Cb 0.51 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.75 -0.22 -0.14 6.00 -3.43 -1.26 -4.24 115.29 112.75 3pcf s HIS 125 Ca 0.84 -0.09 0.02 0.00 -0.80 0.00 0.00 55.06 55.03 3pcf s HIS 125 Cb -0.90 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 30.53 3pcf s HIS 125 CO 0.46 -0.70 -0.19 0.42 -2.00 0.00 0.00 174.74 172.72 3pcf s ILE 126 N -3.77 1.89 -0.18 -5.38 1.01 -0.54 -4.58 121.20 109.64 3pcf s ILE 126 Ca 0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 3pcf s ILE 126 Cb 0.02 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3pcf s ILE 126 CO -0.12 0.52 0.93 0.20 0.00 0.00 0.00 174.94 176.46 3pcf s ASN 127 N 1.04 7.04 -0.03 3.58 0.01 -0.42 -0.66 114.94 125.50 3pcf s ASN 127 Ca -0.03 1.29 0.06 0.00 -0.71 0.00 0.00 52.86 53.47 3pcf s ASN 127 Cb -0.14 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3pcf s ASN 127 CO -0.05 -0.50 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.20 3pcf s ILE 128 N 2.53 2.56 -0.15 0.60 1.01 0.22 -1.36 121.20 126.62 3pcf s ILE 128 Ca 0.41 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3pcf s ILE 128 Cb -0.16 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3pcf s ILE 128 CO 0.11 0.58 -0.18 -0.44 0.00 0.00 0.00 174.94 175.01 3pcf s SER 129 N -0.68 2.88 -0.17 3.58 0.01 -0.19 0.07 113.70 119.20 3pcf s SER 129 Ca 0.11 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 3pcf s SER 129 Cb -0.10 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 3pcf s SER 129 CO -0.00 0.01 -0.03 -0.22 0.41 0.00 0.00 173.24 173.41 3pcf s LEU 130 N 1.14 3.23 0.09 2.44 2.96 0.23 -1.48 118.68 127.30 3pcf s LEU 130 Ca -0.01 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3pcf s LEU 130 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3pcf s LEU 130 CO -0.07 0.13 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.57 3pcf s PHE 131 N 0.58 1.41 0.00 5.38 0.40 0.72 -1.40 117.98 125.07 3pcf s PHE 131 Ca -0.02 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3pcf s PHE 131 Cb -0.14 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.62 3pcf s PHE 131 CO 0.02 0.12 0.00 0.00 0.70 0.00 0.00 175.22 176.06 3pcf n ALA 132 N 1.02 0.00 -1.80 5.36 0.00 -1.26 -1.00 120.51 122.84 3pcf n ALA 132 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 3pcf n ALA 132 Cb 0.55 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 4.38 0.00 0.00 1.70 -1.25 -0.97 118.95 120.81 3pcf s ARG 133 Ca 0.00 2.16 0.00 0.00 -0.47 0.00 0.00 55.73 57.42 3pcf s ARG 133 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 3pcf s ARG 133 CO 0.00 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 3pcf n GLY 134 N 1.07 2.52 3.34 3.88 0.00 -1.26 -4.95 105.19 109.79 3pcf n GLY 134 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.38 4.23 0.08 -0.61 1.01 -0.14 -4.97 121.20 118.41 3pcf s ILE 135 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 3pcf s ILE 135 Cb 0.00 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 3pcf s ILE 135 CO 0.00 -0.16 1.45 0.78 0.00 0.00 0.00 174.94 177.00 3pcf h ASN 136 N 8.33 0.50 -3.39 3.58 2.35 -1.91 -3.32 115.58 121.73 3pcf h ASN 136 Ca -0.26 -0.40 -0.50 0.00 -0.55 0.00 0.00 56.30 54.60 3pcf h ASN 136 Cb 1.10 -0.14 -0.34 0.00 0.05 0.00 0.00 38.32 38.99 3pcf h ASN 136 CO 0.63 0.78 -0.80 -0.51 -1.65 0.00 0.00 177.43 175.88 3pcf s ILE 137 N -4.65 1.00 0.52 2.81 2.07 -1.26 -2.68 121.20 119.01 3pcf s ILE 137 Ca -0.13 -0.38 -0.20 0.00 -1.41 0.00 0.00 60.65 58.53 3pcf s ILE 137 Cb 0.07 -0.95 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 3pcf s ILE 137 CO 0.77 0.33 0.76 0.00 -1.91 0.00 0.00 174.94 174.89 3pcf n HIS 138 N 4.05 0.19 -3.68 3.50 1.44 -1.26 -4.99 115.22 114.47 3pcf n HIS 138 Ca -0.21 0.49 -0.35 0.00 -2.01 0.00 0.00 57.72 55.63 3pcf n HIS 138 Cb 0.51 -2.07 -0.08 0.00 0.12 0.00 0.00 29.99 28.47 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 -0.14 4.21 -0.16 2.39 1.43 -0.49 -4.89 118.68 121.03 3pcf s LEU 139 Ca 0.68 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3pcf s LEU 139 Cb -0.49 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3pcf s LEU 139 CO 0.54 0.15 0.09 -1.00 0.23 0.00 0.00 176.35 176.36 3pcf s HIS 140 N 0.43 3.35 0.35 0.29 3.76 -1.26 0.76 115.29 122.98 3pcf s HIS 140 Ca 0.10 0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 55.23 3pcf s HIS 140 Cb -0.12 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.54 3pcf s HIS 140 CO -0.00 0.34 0.48 -0.08 -0.85 0.00 0.00 174.74 174.63 3pcf s THR 141 N -0.05 0.00 -0.01 1.30 -1.32 0.11 -0.34 115.64 115.33 3pcf s THR 141 Ca 0.08 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 58.97 3pcf s THR 141 Cb -0.12 -2.66 -0.00 0.00 -1.51 0.00 0.00 72.50 68.21 3pcf s THR 141 CO 0.01 0.00 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.23 3pcf s ARG 142 N -2.98 0.48 -0.25 7.08 0.52 -1.26 -0.61 118.95 121.93 3pcf s ARG 142 Ca 0.31 -0.20 -0.07 0.00 -0.52 0.00 0.00 55.73 55.25 3pcf s ARG 142 Cb -0.01 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.96 3pcf s ARG 142 CO 0.21 0.11 0.08 -1.17 0.02 0.00 0.00 175.30 174.55 3pcf s LEU 143 N -0.07 3.48 0.37 2.53 0.20 0.17 -4.73 118.68 120.63 3pcf s LEU 143 Ca 0.01 -0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.69 3pcf s LEU 143 Cb -0.03 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3pcf s LEU 143 CO -0.00 -0.04 0.23 -0.31 -0.29 0.00 0.00 176.35 175.94 3pcf s TYR 144 N 1.62 2.74 -0.07 5.38 1.51 0.04 -1.47 117.35 127.09 3pcf s TYR 144 Ca 0.06 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3pcf s TYR 144 Cb -0.15 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3pcf s TYR 144 CO 0.04 0.18 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.51 3pcf s PHE 145 N -2.43 2.87 0.36 2.71 0.40 -1.26 0.21 117.98 120.84 3pcf s PHE 145 Ca 0.41 -0.05 0.21 0.00 -0.60 0.00 0.00 56.93 56.89 3pcf s PHE 145 Cb -0.02 -1.70 1.08 0.00 0.51 0.00 0.00 43.02 42.89 3pcf s PHE 145 CO 0.25 0.27 1.94 0.38 0.70 0.00 0.00 175.22 178.76 3pcf h ASP 146 N 5.36 0.00 -0.12 1.36 2.03 -1.54 -2.58 116.42 120.93 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 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3pcf h ASP 146 CO 0.52 0.23 0.00 -0.90 -1.03 0.00 0.00 179.24 178.06 3pcf n ASP 147 N -3.81 1.52 -0.95 4.15 5.75 -1.26 -3.39 116.55 118.56 3pcf n ASP 147 Ca -0.02 -2.12 0.05 0.00 -0.01 0.00 0.00 54.79 52.70 3pcf n ASP 147 Cb 0.33 -0.39 0.13 0.00 -1.03 0.00 0.00 41.12 40.15 3pcf n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcf n GLU 148 N 0.05 0.89 -0.33 0.11 -0.58 -0.97 -4.90 120.64 114.92 3pcf n GLU 148 Ca 0.05 -2.70 0.25 0.00 -0.42 0.00 0.00 57.16 54.34 3pcf n GLU 148 Cb 0.33 -0.93 0.48 0.00 -0.57 0.00 0.00 31.44 30.75 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 0.95 1.93 0.24 0.62 0.00 -1.73 0.22 119.26 121.48 3pcf h ALA 149 Ca -0.09 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3pcf h ALA 149 Cb 1.38 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3pcf h ALA 149 CO 0.04 -0.66 -0.11 1.96 0.00 0.00 0.00 179.25 180.48 3pcf h GLN 150 N 0.23 -0.30 -0.34 0.00 4.20 -1.92 -1.33 115.11 115.65 3pcf h GLN 150 Ca 0.74 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.47 3pcf h GLN 150 Cb 1.76 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 3pcf h GLN 150 CO -0.66 -0.05 0.19 0.00 -0.67 0.00 0.00 178.83 177.65 3pcf h ALA 151 N 0.16 0.43 -0.50 3.87 0.00 -1.54 -3.04 119.26 118.65 3pcf h ALA 151 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3pcf h ALA 151 Cb 0.40 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3pcf h ALA 151 CO 0.05 -0.05 0.06 -0.91 0.00 0.00 0.00 179.25 178.40 3pcf h ASN 152 N 0.43 -0.08 -0.59 0.00 2.35 -0.61 0.07 115.58 117.16 3pcf h ASN 152 Ca 0.12 0.10 0.16 0.00 -0.55 0.00 0.00 56.30 56.13 3pcf h ASN 152 Cb 0.04 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3pcf h ASN 152 CO -0.02 -0.01 0.42 0.00 -1.65 0.00 0.00 177.43 176.17 3pcf h ALA 153 N 1.41 2.46 -0.52 -0.83 0.00 -1.12 -1.49 119.26 119.17 3pcf h ALA 153 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3pcf h ALA 153 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3pcf h ALA 153 CO -0.36 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 179.89 3pcf n LYS 154 N -4.39 2.88 -2.10 0.00 5.02 -0.05 -4.93 118.16 114.60 3pcf n LYS 154 Ca 0.11 -2.38 -0.42 0.00 -2.02 0.00 0.00 58.31 53.60 3pcf n LYS 154 Cb 0.62 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 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 8.92 0.00 0.00 0.00 0.13 -1.90 -0.58 132.00 138.57 3pcf h PRO 156 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3pcf h PRO 156 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3pcf h PRO 156 CO 0.94 0.09 -0.03 0.28 -0.23 0.00 0.00 178.00 179.05 3pcf h VAL 157 N 0.00 1.76 -0.82 1.56 2.07 -1.92 -3.19 116.25 115.70 3pcf h VAL 157 Ca -0.00 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.25 3pcf h VAL 157 Cb 0.21 3.34 -0.05 0.00 -1.52 0.00 0.00 31.29 33.26 3pcf h VAL 157 CO 0.01 0.60 0.54 0.25 0.02 0.00 0.00 177.57 178.99 3pcf h LEU 158 N -1.00 0.80 -1.11 2.57 5.85 -1.84 -0.67 115.31 119.91 3pcf h LEU 158 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3pcf h LEU 158 Cb 1.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3pcf h LEU 158 CO -0.01 0.52 0.00 0.78 -0.34 0.00 0.00 178.44 179.39 3pcf h ASN 159 N 0.91 0.00 1.51 1.25 2.35 -1.20 -2.26 115.58 118.15 3pcf h ASN 159 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3pcf h ASN 159 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3pcf h ASN 159 CO -0.12 0.00 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.47 3pcf h LEU 160 N 0.00 0.00 -8.69 1.61 3.38 -1.10 -3.42 115.31 107.09 3pcf h LEU 160 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3pcf h LEU 160 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3pcf h LEU 160 CO 0.00 0.11 1.07 -0.63 0.09 0.00 0.00 178.44 179.08 3pcf s ILE 161 N -3.35 3.88 0.18 1.22 1.01 -0.85 -4.92 121.20 118.37 3pcf s ILE 161 Ca 0.04 0.84 -0.21 0.00 0.00 0.00 0.00 60.65 61.32 3pcf s ILE 161 Cb 0.07 -4.36 0.11 0.00 0.01 0.00 0.00 42.46 38.29 3pcf s ILE 161 CO 0.65 -0.98 1.59 -0.33 0.00 0.00 0.00 174.94 175.87 3pcf h GLU 162 N 10.72 -0.17 -5.41 2.79 5.08 -1.87 -3.39 114.58 122.32 3pcf h GLU 162 Ca -0.27 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.48 3pcf h GLU 162 Cb 1.09 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 3pcf h GLU 162 CO 1.13 -0.12 0.08 -0.65 -1.00 0.00 0.00 179.01 178.45 3pcf s GLN 163 N -6.00 3.76 0.30 2.33 -1.52 -1.26 -4.96 119.66 112.31 3pcf s GLN 163 Ca -0.14 0.09 0.05 0.00 -1.95 0.00 0.00 55.36 53.41 3pcf s GLN 163 Cb 0.15 -3.77 0.79 0.00 -0.22 0.00 0.00 33.01 29.96 3pcf s GLN 163 CO 0.69 -0.63 1.68 -1.35 -0.25 0.00 0.00 175.29 175.44 3pcf h PRO 164 N 8.34 0.35 -0.26 2.91 0.11 -1.98 0.21 132.00 141.67 3pcf h PRO 164 Ca -0.27 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.84 3pcf h PRO 164 Cb 1.12 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3pcf h PRO 164 CO 0.80 0.23 0.18 1.96 -0.21 0.00 0.00 178.00 180.95 3pcf h GLN 165 N 0.36 0.26 0.00 1.05 7.50 -1.95 -2.42 115.11 119.91 3pcf h GLN 165 Ca 0.59 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.64 3pcf h GLN 165 Cb 1.17 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 3pcf h GLN 165 CO -0.56 0.17 -0.40 0.00 -1.50 0.00 0.00 178.83 176.54 3pcf h ARG 166 N 0.27 0.00 -0.82 1.46 3.08 -0.97 -3.00 114.38 114.40 3pcf h ARG 166 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3pcf h ARG 166 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3pcf h ARG 166 CO -0.02 0.40 0.39 0.00 -1.07 0.00 0.00 179.97 179.67 3pcf h ARG 167 N 0.00 1.18 -0.93 0.04 3.08 -1.45 -1.71 114.38 114.60 3pcf h ARG 167 Ca -0.00 -0.18 0.19 0.00 0.07 0.00 0.00 59.98 60.06 3pcf h ARG 167 Cb 0.80 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 3pcf h ARG 167 CO 0.05 0.92 0.60 0.93 -1.07 0.00 0.00 179.97 181.40 3pcf h GLU 168 N 1.16 0.53 -0.24 0.04 5.08 -1.53 -0.13 114.58 119.50 3pcf h GLU 168 Ca 0.28 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 3pcf h GLU 168 Cb 0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3pcf h GLU 168 CO -0.03 0.35 0.23 1.79 -1.00 0.00 0.00 179.01 180.34 3pcf h THR 169 N 0.54 0.55 -0.01 1.13 1.35 -1.43 -1.38 112.91 113.67 3pcf h THR 169 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 3pcf h THR 169 Cb 1.04 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3pcf h THR 169 CO -0.23 0.00 -0.18 0.18 -0.25 0.00 0.00 175.52 175.04 3pcf n LEU 170 N -3.96 0.71 -4.57 3.87 4.77 -0.06 -4.83 117.00 112.93 3pcf n LEU 170 Ca 0.03 -0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 3pcf n LEU 170 Cb 0.37 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3pcf n LEU 170 CO 0.30 0.13 0.33 -0.63 -1.33 0.00 0.00 177.39 176.19 3pcf s ILE 171 N -2.50 4.94 0.34 -0.08 1.01 -0.52 -0.78 121.20 123.61 3pcf s ILE 171 Ca 0.26 0.58 -0.26 0.00 0.00 0.00 0.00 60.65 61.23 3pcf s ILE 171 Cb 0.20 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 3pcf s ILE 171 CO 0.50 -0.23 1.05 0.00 0.00 0.00 0.00 174.94 176.26 3pcf s ALA 172 N 2.58 3.22 -0.39 9.38 0.00 0.13 -4.82 121.76 131.86 3pcf s ALA 172 Ca 0.23 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 3pcf s ALA 172 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3pcf s ALA 172 CO 0.14 -0.14 0.41 0.15 0.00 0.00 0.00 175.76 176.31 3pcf s LYS 173 N -2.01 3.27 0.27 0.00 1.02 -0.34 -1.37 119.74 120.58 3pcf s LYS 173 Ca 0.51 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 3pcf s LYS 173 Cb -0.26 -3.90 -0.11 0.00 -0.52 0.00 0.00 37.83 33.04 3pcf s LYS 173 CO 0.32 -0.73 1.52 0.50 -0.92 0.00 0.00 175.35 176.05 3pcf s ARG 174 N 2.09 4.19 0.00 1.68 3.52 -1.26 -0.73 118.95 128.44 3pcf s ARG 174 Ca 0.12 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 3pcf s ARG 174 Cb -0.17 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3pcf s ARG 174 CO 0.13 -0.53 0.00 0.00 -0.81 0.00 0.00 175.30 174.09 3pcf s GLU 176 N -1.67 0.47 -0.04 0.00 2.12 -1.26 -1.21 118.70 117.11 3pcf s GLU 176 Ca 0.00 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 3pcf s GLU 176 Cb 0.00 -0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.14 3pcf s GLU 176 CO 0.00 0.05 0.05 0.08 -0.54 0.00 0.00 175.26 174.91 3pcf s VAL 177 N -1.06 -0.09 -1.49 3.70 1.01 0.14 -4.78 120.40 117.83 3pcf s VAL 177 Ca -0.07 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 3pcf s VAL 177 Cb -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 36.38 36.25 3pcf s VAL 177 CO 0.00 0.17 0.76 0.47 0.00 0.00 0.00 175.10 176.49 3pcf n ASP 178 N 5.11 -4.22 -1.03 3.32 8.00 -1.26 0.19 116.55 126.66 3pcf n ASP 178 Ca -0.07 -0.67 -0.13 0.00 0.71 0.00 0.00 54.79 54.63 3pcf n ASP 178 Cb 0.50 -3.42 -0.05 0.00 -0.02 0.00 0.00 41.12 38.12 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 -1.44 1.27 3.64 0.44 0.00 -1.26 -5.00 105.19 102.85 3pcf n GLY 179 Ca 0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.21 2.69 0.01 1.61 2.20 0.50 -5.06 119.74 118.48 3pcf s LYS 180 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 3pcf s LYS 180 Cb 0.00 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.66 3pcf s LYS 180 CO 0.00 0.62 1.45 0.99 -0.36 0.00 0.00 175.35 178.05 3pcf s THR 181 N -1.04 3.60 0.07 3.43 2.01 -1.26 0.25 115.64 122.70 3pcf s THR 181 Ca 0.18 0.98 0.03 0.00 0.31 0.00 0.00 61.69 63.20 3pcf s THR 181 Cb -0.11 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3pcf s THR 181 CO 0.09 -0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 173.92 3pcf s ALA 182 N 2.51 0.90 -0.03 7.40 0.00 -0.35 -0.82 121.76 131.38 3pcf s ALA 182 Ca 0.66 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3pcf s ALA 182 Cb -0.33 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3pcf s ALA 182 CO 0.27 -0.04 -0.12 0.71 0.00 0.00 0.00 175.76 176.58 3pcf s TYR 183 N -2.09 1.24 -0.17 0.00 1.51 0.01 0.79 117.35 118.65 3pcf s TYR 183 Ca -0.00 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 3pcf s TYR 183 Cb -0.05 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 3pcf s TYR 183 CO -0.00 -0.11 0.07 0.50 -1.11 0.00 0.00 175.55 174.89 3pcf s ARG 184 N 0.07 3.84 -0.25 -0.62 3.52 0.09 -1.76 118.95 123.83 3pcf s ARG 184 Ca -0.02 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3pcf s ARG 184 Cb -0.09 -3.18 0.08 0.00 -1.56 0.00 0.00 34.95 30.21 3pcf s ARG 184 CO 0.01 0.37 0.10 0.12 -0.81 0.00 0.00 175.30 175.09 3pcf s PHE 185 N 0.10 0.57 -0.07 5.12 5.36 0.11 -1.20 117.98 127.96 3pcf s PHE 185 Ca 0.05 -0.85 -0.14 0.00 -0.96 0.00 0.00 56.93 55.04 3pcf s PHE 185 Cb -0.12 -0.97 -0.05 0.00 -0.34 0.00 0.00 43.02 41.53 3pcf s PHE 185 CO 0.01 -0.73 0.34 -0.51 -1.46 0.00 0.00 175.22 172.87 3pcf s ASP 186 N 2.01 6.65 -0.13 6.13 1.01 -1.26 -3.95 116.67 127.14 3pcf s ASP 186 Ca 0.06 0.77 -0.02 0.00 0.71 0.00 0.00 52.55 54.07 3pcf s ASP 186 Cb -0.16 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 3pcf s ASP 186 CO -0.25 0.26 -0.04 -0.63 0.21 0.00 0.00 175.17 174.72 3pcf s ILE 187 N -0.57 3.91 -0.32 0.77 1.01 -0.31 -4.97 121.20 120.72 3pcf s ILE 187 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3pcf s ILE 187 Cb -0.15 -2.68 0.08 0.00 0.01 0.00 0.00 42.46 39.73 3pcf s ILE 187 CO 0.09 0.53 0.01 -0.13 0.00 0.00 0.00 174.94 175.45 3pcf s ARG 188 N -0.08 1.88 0.26 2.79 0.52 -1.26 -0.40 118.95 122.66 3pcf s ARG 188 Ca 0.02 -1.64 -0.03 0.00 -0.52 0.00 0.00 55.73 53.56 3pcf s ARG 188 Cb -0.13 -3.14 0.33 0.00 0.52 0.00 0.00 34.95 32.53 3pcf s ARG 188 CO 0.03 -0.80 1.84 0.82 0.02 0.00 0.00 175.30 177.20 3pcf h ILE 189 N 6.62 1.23 -3.31 1.52 2.04 -1.38 0.21 117.51 124.44 3pcf h ILE 189 Ca -0.12 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 3pcf h ILE 189 Cb 1.03 0.44 -0.20 0.00 -0.74 0.00 0.00 36.82 37.35 3pcf h ILE 189 CO 0.52 0.30 -0.40 -1.58 0.00 0.00 0.00 178.15 176.99 3pcf s GLN 190 N -5.44 0.55 1.89 2.37 0.74 -1.26 -4.74 119.66 113.77 3pcf s GLN 190 Ca -0.11 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.00 3pcf s GLN 190 Cb 0.16 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.51 3pcf s GLN 190 CO 0.81 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 3pcf n GLY 191 N 1.42 0.20 3.58 2.59 0.00 -1.26 -4.23 105.19 107.48 3pcf n GLY 191 Ca -0.22 -1.35 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 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 3.09 1.86 -1.55 1.61 2.13 -1.26 -0.70 120.64 125.82 3pcf n GLU 192 Ca 0.00 0.55 -0.00 0.00 0.66 0.00 0.00 57.16 58.37 3pcf n GLU 192 Cb 0.00 -2.99 -0.00 0.00 0.27 0.00 0.00 31.44 28.72 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 5.72 0.38 3.64 8.31 0.00 -1.26 -4.96 105.19 117.01 3pcf n GLY 193 Ca 0.31 -0.98 -0.49 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.91 1.69 -2.13 1.61 2.13 0.13 -4.61 120.64 117.55 3pcf n GLU 194 Ca -0.00 0.61 -0.38 0.00 0.66 0.00 0.00 57.16 58.05 3pcf n GLU 194 Cb 0.27 -2.34 -0.00 0.00 0.27 0.00 0.00 31.44 29.64 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 1.30 2.80 0.24 6.31 2.01 0.73 -4.95 115.64 124.08 3pcf s THR 195 Ca 0.84 0.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 3pcf s THR 195 Cb -0.82 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3pcf s THR 195 CO 0.45 0.05 1.19 -0.69 -0.69 0.00 0.00 174.62 174.93 3pcf s VAL 196 N -1.38 3.37 0.03 3.82 1.01 -1.26 -4.93 120.40 121.05 3pcf s VAL 196 Ca 0.61 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3pcf s VAL 196 Cb -0.34 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3pcf s VAL 196 CO 0.43 0.25 -0.21 -0.36 0.00 0.00 0.00 175.10 175.20 3pcf s PHE 197 N -0.60 1.88 0.31 5.22 0.08 -1.26 -4.71 117.98 118.90 3pcf s PHE 197 Ca 0.50 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.25 3pcf s PHE 197 Cb -0.34 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3pcf s PHE 197 CO 0.41 0.06 0.20 -0.06 -0.10 0.00 0.00 175.22 175.73 3pcf s PHE 198 N -0.71 2.88 -0.05 0.36 0.08 0.54 -5.00 117.98 116.08 3pcf s PHE 198 Ca 0.08 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.89 3pcf s PHE 198 Cb -0.09 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3pcf s PHE 198 CO 0.01 0.34 -0.12 0.34 -0.10 0.00 0.00 175.22 175.69 3pcf s ASP 199 N -3.89 1.72 0.00 1.36 2.15 -1.26 -4.40 116.67 112.35 3pcf s ASP 199 Ca 0.37 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.07 3pcf s ASP 199 Cb -0.06 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.88 3pcf s ASP 199 CO 0.25 0.06 0.00 2.22 -0.17 0.00 0.00 175.17 177.52