#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 4.27 -0.09 4.25 -1.09 -1.26 -5.04 121.20 122.25 3pcf s ILE 2 Ca 0.00 1.69 0.03 0.00 -2.23 0.00 0.00 60.65 60.14 3pcf s ILE 2 Cb 0.00 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 3pcf s ILE 2 CO 0.00 0.16 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.07 3pcf s GLU 3 N 0.75 2.95 0.58 2.79 0.41 -1.26 -5.14 118.70 119.78 3pcf s GLU 3 Ca 0.55 -0.80 0.09 0.00 -0.41 0.00 0.00 54.97 54.40 3pcf s GLU 3 Cb -0.27 -2.38 0.09 0.00 -1.78 0.00 0.00 34.13 29.79 3pcf s GLU 3 CO 0.30 0.31 0.81 -0.51 -0.49 0.00 0.00 175.26 175.67 3pcf s LEU 4 N 0.06 3.10 0.49 1.80 1.02 -1.26 -5.05 118.68 118.84 3pcf s LEU 4 Ca -0.08 -0.80 -0.24 0.00 0.02 0.00 0.00 54.13 53.03 3pcf s LEU 4 Cb -0.15 -1.67 -0.07 0.00 0.02 0.00 0.00 46.19 44.32 3pcf s LEU 4 CO 0.05 -1.38 1.38 -0.76 0.02 0.00 0.00 176.35 175.67 3pcf s LEU 5 N -4.70 3.99 0.36 1.79 1.43 -1.26 -4.95 118.68 115.33 3pcf s LEU 5 Ca 0.62 2.82 -0.26 0.00 -1.03 0.00 0.00 54.13 56.29 3pcf s LEU 5 Cb -0.06 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 3pcf s LEU 5 CO 0.39 -1.34 1.04 -2.16 0.23 0.00 0.00 176.35 174.51 3pcf s PRO 6 N -2.66 4.35 0.41 1.29 0.04 -1.26 -5.01 135.00 132.16 3pcf s PRO 6 Ca 0.66 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 3pcf s PRO 6 Cb -0.42 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 3pcf s PRO 6 CO 0.51 0.02 1.12 -2.00 0.04 0.00 0.00 177.00 176.70 3pcf s GLU 7 N -2.18 4.06 0.15 4.56 2.12 -1.26 -4.96 118.70 121.19 3pcf s GLU 7 Ca 0.53 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 57.25 3pcf s GLU 7 Cb -0.23 -2.59 -0.10 0.00 0.26 0.00 0.00 34.13 31.46 3pcf s GLU 7 CO 0.29 -0.28 1.74 0.99 -0.54 0.00 0.00 175.26 177.47 3pcf s THR 8 N -1.52 2.46 0.42 -1.70 2.01 -1.26 -4.93 115.64 111.12 3pcf s THR 8 Ca 0.58 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.48 3pcf s THR 8 Cb -0.27 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 3pcf s THR 8 CO 0.34 0.01 1.27 -2.16 -0.69 0.00 0.00 174.62 173.38 3pcf s PRO 9 N 2.03 3.91 0.66 4.92 0.04 -1.26 -5.02 135.00 140.29 3pcf s PRO 9 Ca 0.77 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.74 3pcf s PRO 9 Cb -0.46 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 3pcf s PRO 9 CO 0.34 -0.51 1.07 0.45 0.04 0.00 0.00 177.00 178.39 3pcf s SER 10 N -0.89 5.39 0.06 6.66 0.15 -1.26 -5.08 113.70 118.73 3pcf s SER 10 Ca 0.58 1.76 -0.05 0.00 0.70 0.00 0.00 55.95 58.94 3pcf s SER 10 Cb -0.36 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 3pcf s SER 10 CO 0.45 -1.44 0.09 -1.10 1.20 0.00 0.00 173.24 172.45 3pcf s GLN 11 N -4.56 0.71 0.55 5.44 -1.52 -1.15 -4.88 119.66 114.26 3pcf s GLN 11 Ca 0.61 -1.00 -0.21 0.00 -1.95 0.00 0.00 55.36 52.81 3pcf s GLN 11 Cb -0.16 0.27 -0.05 0.00 -0.22 0.00 0.00 33.01 32.86 3pcf s GLN 11 CO 0.47 -0.19 1.34 -0.08 -0.25 0.00 0.00 175.29 176.58 3pcf s THR 12 N -3.61 2.13 0.16 -0.19 -1.32 -1.20 -4.74 115.64 106.86 3pcf s THR 12 Ca 0.04 0.09 0.20 0.00 -1.21 0.00 0.00 61.69 60.81 3pcf s THR 12 Cb 0.05 -3.05 0.16 0.00 -1.51 0.00 0.00 72.50 68.15 3pcf s THR 12 CO -0.09 -0.00 1.76 0.00 -2.21 0.00 0.00 174.62 174.08 3pcf h ALA 13 N 1.38 1.01 -0.12 11.08 0.00 -1.74 -3.50 119.26 127.37 3pcf h ALA 13 Ca -0.51 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.12 3pcf h ALA 13 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3pcf h ALA 13 CO 0.57 0.41 -0.03 0.41 0.00 0.00 0.00 179.25 180.61 3pcf n GLY 14 N 0.19 -2.03 0.25 0.00 0.00 -1.26 -4.15 105.19 98.20 3pcf n GLY 14 Ca -0.00 -1.48 0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.05 0.00 -0.50 1.61 0.13 -1.93 -3.17 132.00 128.09 3pcf h PRO 15 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3pcf h PRO 15 Cb 0.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.18 3pcf h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pcf n TYR 16 N -2.97 1.83 -0.20 1.56 4.01 -1.26 -4.60 117.16 115.53 3pcf n TYR 16 Ca 0.01 -0.77 0.30 0.00 -0.16 0.00 0.00 57.90 57.28 3pcf n TYR 16 Cb 0.31 -0.47 0.73 0.00 -0.31 0.00 0.00 39.34 39.60 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 3.47 0.50 -0.68 -0.72 3.04 -1.71 -1.07 116.25 119.09 3pcf h VAL 17 Ca 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.80 3pcf h VAL 17 Cb 1.87 0.52 -0.08 0.00 -2.01 0.00 0.00 31.29 31.59 3pcf h VAL 17 CO 0.43 0.00 0.30 0.45 -1.01 0.00 0.00 177.57 177.74 3pcf h HIS 18 N 0.00 0.52 -0.87 3.17 3.86 -1.84 -0.21 115.15 119.77 3pcf h HIS 18 Ca 0.44 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.86 3pcf h HIS 18 Cb 1.82 -0.13 -0.10 0.00 1.06 0.00 0.00 27.41 30.05 3pcf h HIS 18 CO 0.00 0.15 0.43 0.97 0.86 0.00 0.00 177.93 180.34 3pcf h ILE 19 N 0.50 0.64 0.01 2.45 2.10 -1.41 0.42 117.51 122.21 3pcf h ILE 19 Ca 0.35 -0.19 -0.31 0.00 1.08 0.00 0.00 64.86 65.79 3pcf h ILE 19 Cb 0.43 0.04 -0.05 0.00 -1.09 0.00 0.00 36.82 36.14 3pcf h ILE 19 CO -0.31 0.10 -1.84 0.61 -1.08 0.00 0.00 178.15 175.63 3pcf n GLY 20 N -1.33 -0.98 0.00 8.18 0.00 -0.63 -4.61 105.19 105.83 3pcf n GLY 20 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3pcf n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcf n LEU 21 N -3.02 0.19 -3.10 0.99 4.77 -0.19 -4.84 117.00 111.81 3pcf n LEU 21 Ca -0.20 -0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 55.05 3pcf n LEU 21 Cb 1.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.13 3pcf n LEU 21 CO 0.44 0.05 -0.17 0.00 -1.33 0.00 0.00 177.39 176.38 3pcf n ALA 22 N -0.70 1.59 -0.21 -1.18 0.00 0.14 -4.96 120.51 115.19 3pcf n ALA 22 Ca 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 53.44 50.38 3pcf n ALA 22 Cb 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 3.58 -1.16 -0.14 0.00 4.07 -1.72 -1.97 115.31 117.97 3pcf h LEU 23 Ca 0.04 0.23 0.04 0.00 0.08 0.00 0.00 57.88 58.28 3pcf h LEU 23 Cb 0.95 0.58 -0.07 0.00 1.08 0.00 0.00 40.66 43.20 3pcf h LEU 23 CO 0.43 -0.30 -0.42 1.05 -1.08 0.00 0.00 178.44 178.12 3pcf h GLU 24 N -0.15 -0.46 -0.94 1.13 -0.00 -1.88 -2.15 114.58 110.13 3pcf h GLU 24 Ca 0.24 0.03 0.21 0.00 -0.00 0.00 0.00 59.36 59.84 3pcf h GLU 24 Cb 0.55 0.11 -0.12 0.00 -0.00 0.00 0.00 28.75 29.29 3pcf h GLU 24 CO -0.69 -0.31 0.50 0.00 -0.00 0.00 0.00 179.01 178.51 3pcf h ALA 25 N 0.14 1.56 0.00 1.06 0.00 -1.71 0.72 119.26 121.02 3pcf h ALA 25 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3pcf h ALA 25 Cb 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3pcf h ALA 25 CO -0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 179.25 178.58 3pcf h ALA 26 N 1.68 1.37 -0.19 0.00 0.00 -0.73 -3.45 119.26 117.92 3pcf h ALA 26 Ca 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3pcf h ALA 26 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3pcf h ALA 26 CO -0.45 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.28 3pcf n GLY 27 N -0.99 0.96 3.50 0.00 0.00 0.25 -4.99 105.19 103.92 3pcf n GLY 27 Ca -0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.64 3.82 0.41 1.61 0.01 -1.04 -5.06 114.94 112.06 3pcf s ASN 28 Ca 0.00 -0.80 -0.26 0.00 -0.71 0.00 0.00 52.86 51.09 3pcf s ASN 28 Cb 0.00 -0.46 -0.08 0.00 0.41 0.00 0.00 41.25 41.11 3pcf s ASN 28 CO 0.00 0.08 1.28 -2.16 -1.51 0.00 0.00 177.10 174.80 3pcf s PRO 29 N -3.03 3.93 0.52 -0.60 0.04 -1.26 -3.99 135.00 130.61 3pcf s PRO 29 Ca 0.25 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.46 3pcf s PRO 29 Cb -0.07 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.80 3pcf s PRO 29 CO 0.14 -0.50 0.71 0.95 0.04 0.00 0.00 177.00 178.34 3pcf s THR 30 N -1.29 2.64 0.69 1.26 -4.23 -1.26 -4.90 115.64 108.56 3pcf s THR 30 Ca 0.58 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3pcf s THR 30 Cb -0.37 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 70.81 3pcf s THR 30 CO 0.47 0.00 0.96 -0.13 -0.54 0.00 0.00 174.62 175.38 3pcf s ARG 31 N -4.61 1.80 0.13 3.99 0.52 -1.26 -5.01 118.95 114.52 3pcf s ARG 31 Ca 0.58 -1.18 -0.20 0.00 -0.52 0.00 0.00 55.73 54.42 3pcf s ARG 31 Cb -0.09 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 3pcf s ARG 31 CO 0.37 -1.33 1.71 -0.44 0.02 0.00 0.00 175.30 175.62 3pcf h ASP 32 N -0.40 -0.17 -3.23 0.23 3.32 -2.07 -3.40 116.42 110.69 3pcf h ASP 32 Ca -0.36 0.06 -0.67 0.00 0.02 0.00 0.00 57.03 56.08 3pcf h ASP 32 Cb 1.27 0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.61 3pcf h ASP 32 CO 0.41 -0.06 -0.85 -1.10 -1.72 0.00 0.00 179.24 175.92 3pcf s GLN 33 N -6.20 3.07 0.06 3.56 -0.21 -1.26 -5.11 119.66 113.57 3pcf s GLN 33 Ca -0.13 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.48 3pcf s GLN 33 Cb 0.11 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 3pcf s GLN 33 CO 0.69 0.01 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.48 3pcf s GLU 34 N 0.79 1.05 -0.29 2.91 0.41 -1.26 -5.12 118.70 117.18 3pcf s GLU 34 Ca -0.07 -0.94 -0.17 0.00 -0.41 0.00 0.00 54.97 53.38 3pcf s GLU 34 Cb -0.16 -1.14 -0.02 0.00 -1.78 0.00 0.00 34.13 31.03 3pcf s GLU 34 CO -0.01 0.27 0.49 0.42 -0.49 0.00 0.00 175.26 175.94 3pcf s ILE 35 N -1.01 5.07 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.34 3pcf s ILE 35 Ca 0.03 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3pcf s ILE 35 Cb -0.09 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3pcf s ILE 35 CO 0.02 0.01 0.00 1.87 0.00 0.00 0.00 174.94 176.84 3pcf n TRP 36 N 5.56 0.00 1.42 3.97 -0.00 -1.26 -4.61 117.44 122.52 3pcf n TRP 36 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.47 3pcf n TRP 36 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.87 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 -0.15 0.91 -4.06 5.87 6.94 -0.27 -1.56 115.26 122.93 3pcf n ASN 37 Ca 0.00 -2.03 -0.34 0.00 -0.02 0.00 0.00 54.58 52.19 3pcf n ASN 37 Cb 0.00 -0.17 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 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 -1.73 2.19 0.15 -3.83 3.52 -1.26 -0.61 118.95 117.38 3pcf s ARG 38 Ca 0.09 -2.30 0.01 0.00 -0.13 0.00 0.00 55.73 53.39 3pcf s ARG 38 Cb 0.05 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3pcf s ARG 38 CO 0.05 -1.11 1.34 -0.07 -0.81 0.00 0.00 175.30 174.70 3pcf h LEU 39 N 7.24 0.31 -8.69 -0.88 4.07 -0.33 -3.45 115.31 113.58 3pcf h LEU 39 Ca -0.06 -0.26 -0.67 0.00 0.08 0.00 0.00 57.88 56.97 3pcf h LEU 39 Cb 0.97 -0.10 -0.26 0.00 1.08 0.00 0.00 40.66 42.35 3pcf h LEU 39 CO 0.68 1.08 -0.78 0.00 -1.08 0.00 0.00 178.44 178.34 3pcf s ALA 40 N -3.16 2.57 0.40 1.53 0.00 -1.17 -0.34 121.76 121.60 3pcf s ALA 40 Ca -0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 3pcf s ALA 40 Cb 0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 3pcf s ALA 40 CO 0.84 0.37 0.91 0.15 0.00 0.00 0.00 175.76 178.03 3pcf s LYS 41 N -0.07 4.22 0.57 0.00 1.02 0.44 -4.80 119.74 121.11 3pcf s LYS 41 Ca -0.03 1.06 0.30 0.00 0.02 0.00 0.00 55.97 57.32 3pcf s LYS 41 Cb -0.14 -2.27 1.46 0.00 -0.52 0.00 0.00 37.83 36.35 3pcf s LYS 41 CO 0.04 0.03 1.87 -1.35 -0.92 0.00 0.00 175.35 175.02 3pcf h PRO 42 N 2.07 0.00 -0.47 -1.68 0.11 -2.00 0.14 132.00 130.18 3pcf h PRO 42 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pcf h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pcf h PRO 42 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3pcf n ASP 43 N -3.96 2.31 -4.77 -2.05 5.75 -1.26 -4.91 116.55 107.65 3pcf n ASP 43 Ca 0.14 -2.10 -0.38 0.00 -0.01 0.00 0.00 54.79 52.44 3pcf n ASP 43 Cb 0.85 -0.33 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 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 -1.59 3.23 0.69 2.12 0.00 0.49 -5.03 121.76 121.68 3pcf s ALA 44 Ca 0.26 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 3pcf s ALA 44 Cb 0.15 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3pcf s ALA 44 CO 0.15 0.09 1.13 -1.25 0.00 0.00 0.00 175.76 175.88 3pcf s PRO 45 N -1.93 2.53 0.00 0.00 0.05 -1.26 -4.89 135.00 129.50 3pcf s PRO 45 Ca 0.49 1.48 0.00 0.00 0.05 0.00 0.00 61.00 63.02 3pcf s PRO 45 Cb -0.22 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.43 3pcf s PRO 45 CO 0.27 -1.48 0.00 0.41 0.05 0.00 0.00 177.00 176.25 3pcf n GLY 46 N -0.30 -2.74 3.41 0.56 0.00 -1.26 -4.65 105.19 100.22 3pcf n GLY 46 Ca 0.11 -2.16 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.77 3.08 0.21 1.61 2.12 -1.26 -4.98 118.70 118.71 3pcf s GLU 47 Ca 0.00 -1.07 -0.31 0.00 0.36 0.00 0.00 54.97 53.95 3pcf s GLU 47 Cb 0.00 -4.24 -0.11 0.00 0.26 0.00 0.00 34.13 30.04 3pcf s GLU 47 CO 0.00 -1.67 1.58 -1.01 -0.54 0.00 0.00 175.26 173.63 3pcf s HIS 48 N 3.36 2.96 0.07 5.30 3.76 -1.26 -1.93 115.29 127.54 3pcf s HIS 48 Ca 0.17 0.66 0.01 0.00 -0.15 0.00 0.00 55.06 55.75 3pcf s HIS 48 Cb -0.20 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.46 3pcf s HIS 48 CO 0.08 -3.52 -0.06 0.96 -0.85 0.00 0.00 174.74 171.36 3pcf s ILE 49 N 0.72 0.50 -0.17 0.60 -4.36 0.82 -4.63 121.20 114.69 3pcf s ILE 49 Ca 0.68 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 3pcf s ILE 49 Cb -0.46 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 3pcf s ILE 49 CO 0.37 -0.80 -0.07 -0.22 0.24 0.00 0.00 174.94 174.46 3pcf s LEU 50 N -2.67 2.98 -0.01 0.37 2.96 -0.38 -2.33 118.68 119.60 3pcf s LEU 50 Ca 0.05 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3pcf s LEU 50 Cb 0.02 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3pcf s LEU 50 CO -0.05 0.11 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.26 3pcf s LEU 51 N 0.71 3.17 0.17 -0.68 1.43 -0.38 -0.50 118.68 122.60 3pcf s LEU 51 Ca -0.03 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 3pcf s LEU 51 Cb -0.15 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3pcf s LEU 51 CO 0.02 0.30 0.52 -1.48 0.23 0.00 0.00 176.35 175.94 3pcf s LEU 52 N -1.28 -0.01 0.00 1.79 -0.00 -0.47 -1.25 118.68 117.46 3pcf s LEU 52 Ca 0.16 -0.32 0.00 0.00 -0.00 0.00 0.00 54.13 53.97 3pcf s LEU 52 Cb -0.11 2.20 0.00 0.00 -0.00 0.00 0.00 46.19 48.28 3pcf s LEU 52 CO 0.06 -0.99 0.00 0.61 -0.00 0.00 0.00 176.35 176.03 3pcf n GLY 53 N -0.32 -0.08 3.42 -3.48 0.00 -1.06 -0.52 105.19 103.13 3pcf n GLY 53 Ca -0.13 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 3pcf n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pcf s GLN 54 N -2.00 1.53 -0.13 1.61 -0.21 -1.26 -1.22 119.66 117.99 3pcf s GLN 54 Ca 0.00 -1.70 0.01 0.00 0.02 0.00 0.00 55.36 53.70 3pcf s GLN 54 Cb 0.00 -1.48 0.02 0.00 1.00 0.00 0.00 33.01 32.54 3pcf s GLN 54 CO 0.00 0.26 -0.16 0.08 -2.12 0.00 0.00 175.29 173.35 3pcf s VAL 55 N -2.72 1.63 -0.01 1.09 1.01 -1.26 -0.19 120.40 119.95 3pcf s VAL 55 Ca 0.27 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3pcf s VAL 55 Cb -0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3pcf s VAL 55 CO 0.12 0.47 -0.02 -0.31 0.00 0.00 0.00 175.10 175.35 3pcf s TYR 56 N 1.14 3.02 0.68 5.22 1.51 0.65 -0.02 117.35 129.54 3pcf s TYR 56 Ca -0.02 0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 3pcf s TYR 56 Cb -0.14 -1.67 0.14 0.00 -0.11 0.00 0.00 41.96 40.18 3pcf s TYR 56 CO -0.05 0.43 0.92 -0.40 -1.11 0.00 0.00 175.55 175.34 3pcf n ASP 57 N 1.57 0.90 0.09 2.29 5.68 0.03 -1.53 116.55 125.58 3pcf n ASP 57 Ca -0.15 -1.84 0.09 0.00 -0.50 0.00 0.00 54.79 52.38 3pcf n ASP 57 Cb 0.53 -0.63 0.40 0.00 -1.14 0.00 0.00 41.12 40.28 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 -1.78 -1.03 0.10 6.12 0.00 -1.26 -1.78 105.19 105.56 3pcf n GLY 58 Ca 0.14 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.95 1.15 0.00 1.61 3.02 -1.26 -4.76 115.26 113.06 3pcf n ASN 59 Ca 0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3pcf n ASN 59 Cb 0.15 0.82 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 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 1.48 0.78 3.84 7.41 0.00 -0.73 -5.06 105.19 112.90 3pcf n GLY 60 Ca 0.05 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 3.71 0.51 1.61 3.76 -1.26 -4.76 115.29 116.86 3pcf s HIS 61 Ca 0.00 0.99 -0.22 0.00 -0.15 0.00 0.00 55.06 55.68 3pcf s HIS 61 Cb 0.00 -2.29 -0.06 0.00 1.11 0.00 0.00 32.58 31.34 3pcf s HIS 61 CO 0.00 0.62 1.30 -0.51 -0.85 0.00 0.00 174.74 175.30 3pcf s LEU 62 N -1.22 3.92 -0.48 0.89 1.43 -1.26 -0.79 118.68 121.17 3pcf s LEU 62 Ca 0.26 2.63 -0.14 0.00 -1.03 0.00 0.00 54.13 55.85 3pcf s LEU 62 Cb -0.16 -4.24 0.10 0.00 0.03 0.00 0.00 46.19 41.91 3pcf s LEU 62 CO 0.15 -1.33 0.40 -0.69 0.23 0.00 0.00 176.35 175.10 3pcf s VAL 63 N -1.37 4.89 -2.43 -1.59 1.01 0.97 -4.83 120.40 117.05 3pcf s VAL 63 Ca 0.68 -1.37 0.27 0.00 0.00 0.00 0.00 61.98 61.56 3pcf s VAL 63 Cb -0.37 -4.04 0.43 0.00 0.00 0.00 0.00 36.38 32.40 3pcf s VAL 63 CO 0.44 -0.69 1.62 0.54 0.00 0.00 0.00 175.10 177.02 3pcf n ARG 64 N 5.12 1.60 -0.29 2.72 1.74 -1.26 -3.96 116.66 122.33 3pcf n ARG 64 Ca -0.12 -1.02 0.08 0.00 -0.77 0.00 0.00 57.85 56.02 3pcf n ARG 64 Cb 0.42 -1.48 0.20 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.19 2.97 -4.78 0.55 5.68 -1.26 -3.96 116.55 115.95 3pcf n ASP 65 Ca 0.17 -3.14 -0.34 0.00 -0.50 0.00 0.00 54.79 50.99 3pcf n ASP 65 Cb 0.39 -0.49 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 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 -2.48 5.46 -0.04 -1.12 1.04 -1.25 -4.62 113.70 110.69 3pcf s SER 66 Ca 0.37 2.02 0.01 0.00 0.48 0.00 0.00 55.95 58.84 3pcf s SER 66 Cb 0.32 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.90 3pcf s SER 66 CO 0.05 -1.39 -0.05 0.12 0.98 0.00 0.00 173.24 172.94 3pcf s PHE 67 N -2.16 0.75 0.09 5.02 5.36 -0.21 -2.10 117.98 124.72 3pcf s PHE 67 Ca 0.68 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 3pcf s PHE 67 Cb -0.21 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.81 3pcf s PHE 67 CO 0.35 -0.16 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.31 3pcf s LEU 68 N 0.72 2.32 -0.03 6.12 1.02 -0.35 -0.22 118.68 128.26 3pcf s LEU 68 Ca -0.10 -0.68 0.03 0.00 0.02 0.00 0.00 54.13 53.40 3pcf s LEU 68 Cb -0.13 -0.49 0.00 0.00 0.02 0.00 0.00 46.19 45.59 3pcf s LEU 68 CO 0.00 -0.12 -0.10 -1.61 0.02 0.00 0.00 176.35 174.55 3pcf s GLU 69 N -2.08 1.09 0.19 1.70 2.02 -0.73 -1.29 118.70 119.59 3pcf s GLU 69 Ca 0.01 -0.35 0.10 0.00 0.02 0.00 0.00 54.97 54.76 3pcf s GLU 69 Cb -0.08 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 3pcf s GLU 69 CO 0.02 0.13 -0.21 0.14 0.02 0.00 0.00 175.26 175.36 3pcf s VAL 70 N 0.19 2.10 -0.18 2.63 -7.23 -0.41 -1.44 120.40 116.06 3pcf s VAL 70 Ca -0.04 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 3pcf s VAL 70 Cb -0.09 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.94 3pcf s VAL 70 CO 0.01 -0.23 0.34 0.86 -0.31 0.00 0.00 175.10 175.77 3pcf s TRP 71 N -1.90 -0.63 0.08 2.82 -0.11 -0.42 -1.95 118.94 116.83 3pcf s TRP 71 Ca 0.19 1.15 -0.09 0.00 1.22 0.00 0.00 56.10 58.57 3pcf s TRP 71 Cb -0.07 0.10 -0.00 0.00 -1.50 0.00 0.00 33.47 32.00 3pcf s TRP 71 CO 0.09 -0.47 0.19 1.14 -4.62 0.00 0.00 176.95 173.28 3pcf s GLN 72 N 2.52 0.81 0.63 5.86 -2.07 -0.16 -1.11 119.66 126.14 3pcf s GLN 72 Ca 0.02 -0.89 -0.10 0.00 -1.82 0.00 0.00 55.36 52.57 3pcf s GLN 72 Cb -0.13 0.33 -0.02 0.00 -1.09 0.00 0.00 33.01 32.11 3pcf s GLN 72 CO -0.11 -0.25 1.01 0.00 -1.32 0.00 0.00 175.29 174.62 3pcf s ALA 73 N -3.58 3.08 1.05 2.60 0.00 -1.26 -4.44 121.76 119.22 3pcf s ALA 73 Ca 0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 3pcf s ALA 73 Cb 0.04 -2.95 0.14 0.00 0.00 0.00 0.00 23.12 20.34 3pcf s ALA 73 CO -0.09 -0.82 0.66 -0.40 0.00 0.00 0.00 175.76 175.10 3pcf n ASP 74 N -2.77 -0.59 0.33 0.00 5.68 0.31 -4.29 116.55 115.21 3pcf n ASP 74 Ca 0.06 -1.10 0.21 0.00 -0.50 0.00 0.00 54.79 53.46 3pcf n ASP 74 Cb 0.56 -0.54 1.11 0.00 -1.14 0.00 0.00 41.12 41.11 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 -2.09 1.03 -0.55 2.12 0.00 -1.83 -0.44 119.26 117.51 3pcf h ALA 75 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 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 0.00 0.09 0.00 0.00 0.00 179.25 179.50 3pcf n ASN 76 N -3.12 3.11 -1.29 0.00 3.02 -1.26 -3.77 115.26 111.94 3pcf n ASN 76 Ca -0.02 -1.98 -0.07 0.00 -0.03 0.00 0.00 54.58 52.48 3pcf n ASN 76 Cb 0.12 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.43 0.47 3.19 7.41 0.00 -0.32 -4.78 105.19 112.59 3pcf n GLY 77 Ca 0.20 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.23 2.47 -0.30 1.61 2.12 -1.25 -4.68 118.70 113.44 3pcf s GLU 78 Ca 0.15 -0.77 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 3pcf s GLU 78 Cb -0.06 -1.98 -0.00 0.00 0.26 0.00 0.00 34.13 32.34 3pcf s GLU 78 CO 0.18 0.23 0.74 0.71 -0.54 0.00 0.00 175.26 176.58 3pcf s TYR 79 N 0.19 3.22 -0.55 5.30 2.02 -1.26 0.11 117.35 126.38 3pcf s TYR 79 Ca -0.11 0.79 -0.15 0.00 -0.37 0.00 0.00 57.07 57.23 3pcf s TYR 79 Cb -0.15 -3.12 0.13 0.00 -0.40 0.00 0.00 41.96 38.42 3pcf s TYR 79 CO 0.05 -0.51 0.49 -0.65 -1.57 0.00 0.00 175.55 173.36 3pcf s GLN 80 N 2.84 2.94 0.06 -0.62 -1.52 -1.26 -4.91 119.66 117.19 3pcf s GLN 80 Ca 0.31 -1.78 0.06 0.00 -1.95 0.00 0.00 55.36 52.00 3pcf s GLN 80 Cb -0.14 -4.24 -0.23 0.00 -0.22 0.00 0.00 33.01 28.17 3pcf s GLN 80 CO 0.12 -1.30 1.07 0.38 -0.25 0.00 0.00 175.29 175.30 3pcf h ASP 81 N 8.73 0.08 -1.32 5.90 2.03 -1.97 -3.17 116.42 126.70 3pcf h ASP 81 Ca -0.26 -0.10 -0.39 0.00 -0.73 0.00 0.00 57.03 55.55 3pcf h ASP 81 Cb 1.09 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.52 3pcf h ASP 81 CO 0.99 1.08 1.03 0.00 -1.03 0.00 0.00 179.24 181.31 3pcf s ALA 82 N -2.67 1.89 0.10 4.15 0.00 -1.26 -4.90 121.76 119.07 3pcf s ALA 82 Ca -0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 3pcf s ALA 82 Cb 0.09 -4.43 -0.07 0.00 0.00 0.00 0.00 23.12 18.71 3pcf s ALA 82 CO 0.83 -4.39 1.22 -0.47 0.00 0.00 0.00 175.76 172.95 3pcf s TYR 83 N 9.69 3.41 -0.25 0.00 5.04 -1.26 -5.01 117.35 128.97 3pcf s TYR 83 Ca 0.69 1.29 -0.16 0.00 -2.44 0.00 0.00 57.07 56.45 3pcf s TYR 83 Cb -0.10 -3.45 0.07 0.00 0.35 0.00 0.00 41.96 38.83 3pcf s TYR 83 CO 0.10 -1.39 0.63 1.21 -1.34 0.00 0.00 175.55 174.76 3pcf s ASN 84 N 0.81 -0.81 0.49 4.32 3.84 -1.26 -5.03 114.94 117.29 3pcf s ASN 84 Ca 0.58 1.36 0.32 0.00 0.21 0.00 0.00 52.86 55.33 3pcf s ASN 84 Cb -0.31 1.27 1.44 0.00 -0.55 0.00 0.00 41.25 43.09 3pcf s ASN 84 CO 0.31 -0.23 1.96 -0.07 -2.79 0.00 0.00 177.10 176.29 3pcf h LEU 85 N 6.59 0.00 -0.56 3.21 3.38 -1.96 -2.59 115.31 123.38 3pcf h LEU 85 Ca -0.31 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.50 3pcf h LEU 85 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3pcf h LEU 85 CO 0.17 0.00 -0.67 -0.33 0.09 0.00 0.00 178.44 177.70 3pcf h GLU 86 N 0.00 0.25 -7.10 1.13 5.08 -2.00 -3.46 114.58 108.48 3pcf h GLU 86 Ca 0.00 -0.19 -0.56 0.00 -1.00 0.00 0.00 59.36 57.61 3pcf h GLU 86 Cb 0.36 0.04 0.16 0.00 0.50 0.00 0.00 28.75 29.80 3pcf h GLU 86 CO 0.00 0.83 0.52 -0.80 -1.00 0.00 0.00 179.01 178.56 3pcf s ASN 87 N -6.91 4.65 0.27 1.42 0.01 -0.98 -4.91 114.94 108.50 3pcf s ASN 87 Ca -0.04 2.64 0.13 0.00 -0.71 0.00 0.00 52.86 54.88 3pcf s ASN 87 Cb 0.11 -2.62 0.28 0.00 0.41 0.00 0.00 41.25 39.43 3pcf s ASN 87 CO 0.81 -1.98 1.55 0.00 -1.51 0.00 0.00 177.10 175.97 3pcf h ALA 88 N 0.62 0.78 -3.27 0.60 0.00 -1.89 -3.44 119.26 112.66 3pcf h ALA 88 Ca -0.51 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 53.63 3pcf h ALA 88 Cb 1.34 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 3pcf h ALA 88 CO 0.53 0.75 -0.58 0.12 0.00 0.00 0.00 179.25 180.08 3pcf s PHE 89 N -3.28 -0.17 -0.06 0.00 5.36 -1.26 0.17 117.98 118.74 3pcf s PHE 89 Ca 0.01 0.48 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 3pcf s PHE 89 Cb 0.10 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.74 3pcf s PHE 89 CO 0.75 -0.15 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.35 3pcf s ASN 90 N 0.89 2.60 0.46 6.13 0.01 0.54 -4.97 114.94 120.60 3pcf s ASN 90 Ca -0.07 -0.44 0.26 0.00 -0.71 0.00 0.00 52.86 51.90 3pcf s ASN 90 Cb -0.09 -0.83 0.87 0.00 0.41 0.00 0.00 41.25 41.61 3pcf s ASN 90 CO -0.05 0.18 1.80 0.28 -1.51 0.00 0.00 177.10 177.80 3pcf h SER 91 N 6.31 0.00 -3.50 -1.22 0.02 -1.76 -3.44 113.55 109.95 3pcf h SER 91 Ca -0.30 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 3pcf h SER 91 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 3pcf h SER 91 CO 0.47 0.15 -0.66 0.12 -1.14 0.00 0.00 176.83 175.77 3pcf s PHE 92 N -3.51 3.04 0.28 3.45 5.36 -1.26 -0.98 117.98 124.35 3pcf s PHE 92 Ca 0.02 0.10 -0.13 0.00 -0.96 0.00 0.00 56.93 55.97 3pcf s PHE 92 Cb 0.09 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 3pcf s PHE 92 CO 0.63 0.40 0.53 0.20 -1.46 0.00 0.00 175.22 175.52 3pcf s GLY 93 N -0.87 0.57 0.03 13.12 0.00 -0.82 -4.87 107.32 114.48 3pcf s GLY 93 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.97 3pcf s GLY 93 CO 0.02 -0.59 -0.05 0.50 0.00 0.00 0.00 173.10 172.99 3pcf s ARG 94 N -3.73 0.38 0.27 2.90 0.52 -0.60 -1.29 118.95 117.40 3pcf s ARG 94 Ca 0.22 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 3pcf s ARG 94 Cb -0.02 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.39 3pcf s ARG 94 CO 0.10 -0.00 0.52 -0.08 0.02 0.00 0.00 175.30 175.86 3pcf s THR 95 N -1.30 0.00 0.16 0.02 -1.32 -0.41 -1.12 115.64 111.67 3pcf s THR 95 Ca -0.12 -1.37 -0.19 0.00 -1.21 0.00 0.00 61.69 58.79 3pcf s THR 95 Cb -0.09 -2.29 0.05 0.00 -1.51 0.00 0.00 72.50 68.66 3pcf s THR 95 CO -0.00 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 172.93 3pcf s ALA 96 N -3.77 -1.22 0.10 11.08 0.00 -1.26 -1.21 121.76 125.48 3pcf s ALA 96 Ca 0.22 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3pcf s ALA 96 Cb -0.01 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 3pcf s ALA 96 CO 0.10 -0.74 0.48 0.95 0.00 0.00 0.00 175.76 176.55 3pcf s THR 97 N -3.80 4.95 0.27 0.00 -4.23 -0.89 -4.32 115.64 107.61 3pcf s THR 97 Ca 0.04 0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 3pcf s THR 97 Cb -0.00 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.02 3pcf s THR 97 CO -0.10 0.33 1.47 0.42 -0.54 0.00 0.00 174.62 176.21 3pcf s THR 98 N -1.36 2.47 0.46 3.99 -4.23 -0.59 -4.63 115.64 111.75 3pcf s THR 98 Ca 0.33 0.41 0.31 0.00 -1.18 0.00 0.00 61.69 61.57 3pcf s THR 98 Cb -0.15 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.77 3pcf s THR 98 CO 0.18 0.07 2.15 -0.26 -0.54 0.00 0.00 174.62 176.22 3pcf h PHE 99 N 4.73 0.00 0.00 3.99 0.04 -1.93 0.39 116.94 124.15 3pcf h PHE 99 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pcf h PHE 99 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3pcf h PHE 99 CO 0.59 0.07 0.00 -0.40 -0.60 0.00 0.00 178.31 177.97 3pcf n ASP 100 N -3.52 0.00 -0.08 2.17 5.75 -1.26 -4.63 116.55 114.98 3pcf n ASP 100 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.81 3pcf n ASP 100 Cb 0.19 0.00 0.40 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 1.72 -1.22 2.12 0.00 -1.99 -3.47 119.26 114.43 3pcf h ALA 101 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3pcf h ALA 101 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3pcf h ALA 101 CO 0.00 0.21 -0.13 0.41 0.00 0.00 0.00 179.25 179.74 3pcf n GLY 102 N -1.47 0.35 3.35 0.00 0.00 0.14 -4.94 105.19 102.62 3pcf n GLY 102 Ca 0.06 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.65 1.64 0.28 1.61 2.12 -1.26 -4.40 118.70 114.04 3pcf s GLU 103 Ca 0.05 -1.18 0.10 0.00 0.36 0.00 0.00 54.97 54.30 3pcf s GLU 103 Cb -0.02 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 3pcf s GLU 103 CO 0.06 0.48 -0.04 1.67 -0.54 0.00 0.00 175.26 176.90 3pcf s TRP 104 N -0.89 2.60 -0.01 5.30 1.48 -0.36 -1.54 118.94 125.52 3pcf s TRP 104 Ca 0.12 -0.26 -0.08 0.00 -1.06 0.00 0.00 56.10 54.82 3pcf s TRP 104 Cb -0.10 -1.18 0.01 0.00 -1.16 0.00 0.00 33.47 31.03 3pcf s TRP 104 CO 0.03 0.62 0.16 0.95 -4.06 0.00 0.00 176.95 174.66 3pcf s THR 105 N -2.38 0.06 0.01 0.66 -4.23 -1.26 -2.58 115.64 105.92 3pcf s THR 105 Ca 0.32 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3pcf s THR 105 Cb -0.06 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 3pcf s THR 105 CO 0.19 -0.29 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.71 3pcf s LEU 106 N -1.06 2.07 -0.30 4.79 2.96 -0.38 -4.79 118.68 121.96 3pcf s LEU 106 Ca -0.11 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3pcf s LEU 106 Cb -0.06 -0.20 0.07 0.00 0.50 0.00 0.00 46.19 46.50 3pcf s LEU 106 CO 0.02 -0.02 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.02 3pcf s HIS 107 N -0.44 3.45 0.00 5.38 3.76 0.22 -1.25 115.29 126.40 3pcf s HIS 107 Ca -0.02 -2.45 0.00 0.00 -0.15 0.00 0.00 55.06 52.44 3pcf s HIS 107 Cb -0.04 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.28 3pcf s HIS 107 CO -0.00 -0.89 0.00 -2.37 -0.85 0.00 0.00 174.74 170.62 3pcf n THR 108 N 4.43 0.00 -4.39 1.30 5.66 -0.98 0.41 114.28 120.70 3pcf n THR 108 Ca -0.07 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.65 3pcf n THR 108 Cb 0.42 0.00 -0.12 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 -2.46 2.49 -0.03 1.08 -7.23 -1.26 -0.13 120.40 112.86 3pcf s VAL 109 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 3pcf s VAL 109 Cb 0.00 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3pcf s VAL 109 CO 0.00 -0.06 1.46 -0.75 -0.31 0.00 0.00 175.10 175.44 3pcf s LYS 110 N -2.54 4.25 0.42 4.82 2.20 -0.81 -4.88 119.74 123.19 3pcf s LYS 110 Ca 0.20 2.01 -0.25 0.00 -0.36 0.00 0.00 55.97 57.57 3pcf s LYS 110 Cb -0.09 -3.69 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 3pcf s LYS 110 CO 0.10 -0.67 1.26 -1.25 -0.36 0.00 0.00 175.35 174.43 3pcf s PRO 111 N 2.93 3.88 0.82 4.03 0.04 -1.26 -4.27 135.00 141.16 3pcf s PRO 111 Ca 0.66 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.63 3pcf s PRO 111 Cb -0.31 -2.65 0.08 0.00 0.04 0.00 0.00 34.50 31.66 3pcf s PRO 111 CO 0.26 -0.53 1.16 0.20 0.04 0.00 0.00 177.00 178.13 3pcf s GLY 112 N -0.92 1.59 0.14 0.56 0.00 -0.33 -4.69 107.32 103.66 3pcf s GLY 112 Ca 0.59 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 3pcf s GLY 112 CO 0.45 -0.11 0.95 0.14 0.00 0.00 0.00 173.10 174.53 3pcf s VAL 113 N -3.51 4.42 0.14 1.40 1.01 -1.26 -4.29 120.40 118.31 3pcf s VAL 113 Ca 0.62 2.05 0.10 0.00 0.00 0.00 0.00 61.98 64.75 3pcf s VAL 113 Cb -0.12 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3pcf s VAL 113 CO 0.50 0.36 -0.24 0.68 0.00 0.00 0.00 175.10 176.40 3pcf s VAL 114 N -0.27 2.07 0.28 2.92 -7.23 -1.26 -4.49 120.40 112.42 3pcf s VAL 114 Ca 0.45 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 3pcf s VAL 114 Cb -0.24 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 3pcf s VAL 114 CO 0.30 -0.03 0.56 0.20 -0.31 0.00 0.00 175.10 175.82 3pcf s ASN 115 N -2.19 6.47 0.96 4.85 0.01 -1.26 0.25 114.94 124.04 3pcf s ASN 115 Ca 0.13 0.76 -0.15 0.00 -0.71 0.00 0.00 52.86 52.88 3pcf s ASN 115 Cb -0.09 -2.16 0.20 0.00 0.41 0.00 0.00 41.25 39.61 3pcf s ASN 115 CO 0.06 -0.18 1.32 0.54 -1.51 0.00 0.00 177.10 177.33 3pcf s ASN 116 N -3.03 3.11 0.53 -1.22 2.20 0.34 -4.86 114.94 112.00 3pcf s ASN 116 Ca 0.45 0.21 0.19 0.00 -0.94 0.00 0.00 52.86 52.77 3pcf s ASN 116 Cb -0.11 -0.25 1.36 0.00 -2.00 0.00 0.00 41.25 40.25 3pcf s ASN 116 CO 0.29 -2.73 2.16 0.00 -2.94 0.00 0.00 177.10 173.87 3pcf h ALA 117 N -1.62 1.96 -0.00 3.54 0.00 -1.99 -1.35 119.26 119.80 3pcf h ALA 117 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3pcf h ALA 117 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3pcf h ALA 117 CO 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.57 3pcf n ALA 118 N -2.51 2.64 -0.66 0.00 0.00 -1.26 -4.88 120.51 113.84 3pcf n ALA 118 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3pcf n ALA 118 Cb 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.10 0.77 3.74 0.00 0.00 -0.51 -5.03 105.19 105.26 3pcf n GLY 119 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.82 4.90 0.30 1.61 1.01 -1.26 -4.76 120.40 119.38 3pcf s VAL 120 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 3pcf s VAL 120 Cb 0.00 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 3pcf s VAL 120 CO 0.00 0.36 1.14 -2.84 0.00 0.00 0.00 175.10 173.76 3pcf s PRO 121 N 0.14 4.55 0.18 2.72 0.02 -1.26 0.13 135.00 141.47 3pcf s PRO 121 Ca 0.35 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.29 3pcf s PRO 121 Cb -0.19 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3pcf s PRO 121 CO 0.19 0.11 0.24 -1.64 -0.33 0.00 0.00 177.00 175.56 3pcf s MET 122 N -1.58 3.20 0.62 5.54 -1.94 0.14 -4.48 119.30 120.80 3pcf s MET 122 Ca 0.46 -0.77 -0.17 0.00 -1.71 0.00 0.00 55.69 53.50 3pcf s MET 122 Cb -0.33 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 3pcf s MET 122 CO 0.43 0.48 1.14 0.00 -0.01 0.00 0.00 175.02 177.06 3pcf s ALA 123 N -1.83 2.51 0.22 3.03 0.00 -1.26 -4.13 121.76 120.31 3pcf s ALA 123 Ca 0.33 0.75 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 3pcf s ALA 123 Cb -0.10 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 3pcf s ALA 123 CO 0.26 -1.16 1.40 -2.30 0.00 0.00 0.00 175.76 173.97 3pcf n PRO 124 N -1.95 1.96 -3.48 0.00 -0.02 -1.26 -4.84 135.00 125.42 3pcf n PRO 124 Ca 0.12 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3pcf n PRO 124 Cb 0.51 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.03 -0.46 -0.11 6.00 -3.43 -1.26 -4.40 115.29 111.65 3pcf s HIS 125 Ca 0.70 0.26 0.02 0.00 -0.80 0.00 0.00 55.06 55.24 3pcf s HIS 125 Cb -0.67 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 30.94 3pcf s HIS 125 CO 0.49 -0.79 -0.18 0.42 -2.00 0.00 0.00 174.74 172.68 3pcf s ILE 126 N -3.59 2.65 -0.17 -5.38 1.01 -0.15 -4.62 121.20 110.95 3pcf s ILE 126 Ca 0.01 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 3pcf s ILE 126 Cb -0.00 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 3pcf s ILE 126 CO -0.11 0.54 0.71 0.20 0.00 0.00 0.00 174.94 176.28 3pcf s ASN 127 N 0.28 6.82 -0.03 3.58 0.01 -0.27 0.37 114.94 125.70 3pcf s ASN 127 Ca -0.13 1.00 0.07 0.00 -0.71 0.00 0.00 52.86 53.10 3pcf s ASN 127 Cb -0.16 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3pcf s ASN 127 CO 0.07 -0.30 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.48 3pcf s ILE 128 N 1.87 2.15 -0.13 0.60 1.01 -0.55 -1.30 121.20 124.85 3pcf s ILE 128 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3pcf s ILE 128 Cb -0.16 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3pcf s ILE 128 CO 0.12 0.58 -0.12 -0.44 0.00 0.00 0.00 174.94 175.08 3pcf s SER 129 N -0.55 2.45 -0.15 3.58 0.01 -0.52 -0.68 113.70 117.83 3pcf s SER 129 Ca 0.08 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 3pcf s SER 129 Cb -0.11 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 3pcf s SER 129 CO -0.00 -0.07 -0.02 -0.22 0.41 0.00 0.00 173.24 173.34 3pcf s LEU 130 N 1.50 3.38 0.08 2.44 2.96 0.98 -1.78 118.68 128.25 3pcf s LEU 130 Ca 0.03 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 3pcf s LEU 130 Cb -0.13 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3pcf s LEU 130 CO -0.09 0.19 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.58 3pcf s PHE 131 N 0.25 1.64 0.00 5.38 0.40 0.69 -1.78 117.98 124.55 3pcf s PHE 131 Ca -0.01 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3pcf s PHE 131 Cb -0.14 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.48 3pcf s PHE 131 CO 0.02 0.15 0.00 0.00 0.70 0.00 0.00 175.22 176.09 3pcf n ALA 132 N 1.30 0.00 -1.78 5.36 0.00 -1.26 -1.05 120.51 123.08 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 4.06 0.00 0.00 1.70 -1.25 -0.46 118.95 121.00 3pcf s ARG 133 Ca 0.00 2.53 0.00 0.00 -0.47 0.00 0.00 55.73 57.79 3pcf s ARG 133 Cb 0.00 -2.92 0.00 0.00 -0.57 0.00 0.00 34.95 31.46 3pcf s ARG 133 CO 0.00 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 3pcf n GLY 134 N 0.50 1.77 3.28 3.88 0.00 -1.26 -4.97 105.19 108.38 3pcf n GLY 134 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.42 4.45 0.22 -0.61 1.01 0.40 -4.96 121.20 119.29 3pcf s ILE 135 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.20 3pcf s ILE 135 Cb 0.00 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.78 3pcf s ILE 135 CO 0.00 -0.58 1.66 0.78 0.00 0.00 0.00 174.94 176.80 3pcf h ASN 136 N 8.50 0.81 -3.12 3.58 2.35 -1.90 -3.35 115.58 122.45 3pcf h ASN 136 Ca -0.24 -0.26 -0.27 0.00 -0.55 0.00 0.00 56.30 54.98 3pcf h ASN 136 Cb 1.09 -0.22 -0.34 0.00 0.05 0.00 0.00 38.32 38.89 3pcf h ASN 136 CO 0.81 0.96 -0.61 -0.51 -1.65 0.00 0.00 177.43 176.44 3pcf s ILE 137 N -4.73 -0.24 0.22 2.81 2.07 -1.26 -2.92 121.20 117.15 3pcf s ILE 137 Ca -0.10 0.30 -0.29 0.00 -1.41 0.00 0.00 60.65 59.16 3pcf s ILE 137 Cb 0.13 -0.31 -0.16 0.00 0.13 0.00 0.00 42.46 42.25 3pcf s ILE 137 CO 0.83 0.13 0.77 0.00 -1.91 0.00 0.00 174.94 174.76 3pcf n HIS 138 N 5.08 0.34 -3.41 3.50 1.44 -1.26 -4.97 115.22 115.95 3pcf n HIS 138 Ca -0.10 0.85 -0.38 0.00 -2.01 0.00 0.00 57.72 56.09 3pcf n HIS 138 Cb 0.50 -2.10 -0.06 0.00 0.12 0.00 0.00 29.99 28.46 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 1.76 4.34 -0.14 2.39 1.43 -0.74 -4.89 118.68 122.83 3pcf s LEU 139 Ca 0.64 0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 3pcf s LEU 139 Cb -0.85 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3pcf s LEU 139 CO 0.57 0.12 0.08 -1.00 0.23 0.00 0.00 176.35 176.36 3pcf s HIS 140 N 0.03 3.35 0.33 0.29 3.76 -1.26 -0.01 115.29 121.77 3pcf s HIS 140 Ca 0.24 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 3pcf s HIS 140 Cb -0.15 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 3pcf s HIS 140 CO 0.10 0.42 0.43 -0.08 -0.85 0.00 0.00 174.74 174.76 3pcf s THR 141 N -0.33 0.00 0.01 1.30 -1.32 0.14 -0.16 115.64 115.28 3pcf s THR 141 Ca 0.09 -1.66 0.01 0.00 -1.21 0.00 0.00 61.69 58.92 3pcf s THR 141 Cb -0.12 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.28 3pcf s THR 141 CO 0.02 0.00 -0.05 -0.13 -2.21 0.00 0.00 174.62 172.25 3pcf s ARG 142 N -3.25 0.36 -0.19 7.08 0.52 -1.26 -1.49 118.95 120.73 3pcf s ARG 142 Ca 0.32 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.19 3pcf s ARG 142 Cb 0.00 -0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.20 3pcf s ARG 142 CO 0.20 0.07 -0.10 -1.17 0.02 0.00 0.00 175.30 174.31 3pcf s LEU 143 N -0.54 2.66 0.30 2.53 0.20 0.16 -4.74 118.68 119.25 3pcf s LEU 143 Ca -0.02 -0.44 0.09 0.00 0.69 0.00 0.00 54.13 54.44 3pcf s LEU 143 Cb -0.04 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 3pcf s LEU 143 CO -0.00 0.03 0.07 -0.31 -0.29 0.00 0.00 176.35 175.85 3pcf s TYR 144 N 1.18 2.71 -0.14 5.38 1.51 0.19 -0.97 117.35 127.20 3pcf s TYR 144 Ca 0.02 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3pcf s TYR 144 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 3pcf s TYR 144 CO -0.04 0.48 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.74 3pcf s PHE 145 N -2.38 2.91 0.65 2.71 0.08 -1.26 0.19 117.98 120.88 3pcf s PHE 145 Ca 0.35 -0.49 0.42 0.00 0.12 0.00 0.00 56.93 57.32 3pcf s PHE 145 Cb -0.04 -1.90 2.30 0.00 -0.57 0.00 0.00 43.02 42.81 3pcf s PHE 145 CO 0.21 -0.13 2.35 0.38 -0.10 0.00 0.00 175.22 177.93 3pcf h ASP 146 N 6.72 0.00 -0.31 1.36 2.03 -1.28 -2.12 116.42 122.82 3pcf h ASP 146 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3pcf h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3pcf h ASP 146 CO 0.59 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.90 3pcf n ASP 147 N -3.25 1.77 -1.19 4.15 5.75 -1.26 -3.89 116.55 118.62 3pcf n ASP 147 Ca -0.03 -1.95 -0.02 0.00 -0.01 0.00 0.00 54.79 52.78 3pcf n ASP 147 Cb 0.08 -0.20 0.13 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.45 1.94 -0.32 0.11 -0.58 -0.80 -4.88 120.64 116.57 3pcf n GLU 148 Ca 0.12 -3.39 0.08 0.00 -0.42 0.00 0.00 57.16 53.54 3pcf n GLU 148 Cb 0.29 -1.60 0.18 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.39 0.81 0.36 0.62 0.00 -1.76 0.88 119.26 121.56 3pcf h ALA 149 Ca 0.06 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3pcf h ALA 149 Cb 1.26 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3pcf h ALA 149 CO 0.22 -0.45 -0.31 1.96 0.00 0.00 0.00 179.25 180.66 3pcf h GLN 150 N 0.02 -0.66 -0.84 0.00 4.20 -1.94 0.60 115.11 116.50 3pcf h GLN 150 Ca 0.48 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.26 3pcf h GLN 150 Cb 0.85 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.73 3pcf h GLN 150 CO -0.88 -0.44 0.54 0.00 -0.67 0.00 0.00 178.83 177.38 3pcf h ALA 151 N -0.17 1.09 -0.87 3.87 0.00 -1.59 -2.63 119.26 118.97 3pcf h ALA 151 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3pcf h ALA 151 Cb 0.61 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3pcf h ALA 151 CO -0.03 0.39 0.56 -0.91 0.00 0.00 0.00 179.25 179.26 3pcf h ASN 152 N 1.07 1.02 -0.36 0.00 2.35 -0.51 -2.12 115.58 117.03 3pcf h ASN 152 Ca 0.33 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.08 3pcf h ASN 152 Cb -0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3pcf h ASN 152 CO -0.10 0.75 0.24 0.00 -1.65 0.00 0.00 177.43 176.67 3pcf h ALA 153 N 1.31 1.93 -0.46 -0.83 0.00 -0.50 -2.65 119.26 118.06 3pcf h ALA 153 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pcf h ALA 153 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3pcf h ALA 153 CO -0.07 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.83 3pcf n LYS 154 N -4.48 2.56 -2.13 0.00 5.02 -0.86 -4.93 118.16 113.34 3pcf n LYS 154 Ca 0.04 -2.24 -0.42 0.00 -2.02 0.00 0.00 58.31 53.67 3pcf n LYS 154 Cb 0.19 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 7.13 0.00 0.02 0.00 0.13 -1.92 -0.18 132.00 137.18 3pcf h PRO 156 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3pcf h PRO 156 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3pcf h PRO 156 CO 0.88 0.17 -0.01 0.28 -0.23 0.00 0.00 178.00 179.10 3pcf h VAL 157 N 0.00 1.41 -0.53 1.56 2.07 -1.94 -3.08 116.25 115.73 3pcf h VAL 157 Ca -0.00 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.65 3pcf h VAL 157 Cb 0.42 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3pcf h VAL 157 CO 0.02 0.45 0.35 0.25 0.02 0.00 0.00 177.57 178.66 3pcf h LEU 158 N -0.92 0.56 -1.45 2.57 5.85 -1.87 -0.79 115.31 119.26 3pcf h LEU 158 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3pcf h LEU 158 Cb 0.75 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3pcf h LEU 158 CO 0.00 0.40 0.00 0.78 -0.34 0.00 0.00 178.44 179.28 3pcf h ASN 159 N 0.66 0.00 1.30 1.25 2.35 -1.08 -2.38 115.58 117.69 3pcf h ASN 159 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3pcf h ASN 159 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3pcf h ASN 159 CO -0.05 0.00 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.53 3pcf h LEU 160 N 0.00 0.00 -9.20 1.61 3.38 -1.04 -3.43 115.31 106.63 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 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3pcf h LEU 160 CO 0.00 0.13 0.80 -0.63 0.09 0.00 0.00 178.44 178.82 3pcf s ILE 161 N -3.46 4.36 0.08 1.22 1.01 -0.90 -4.95 121.20 118.56 3pcf s ILE 161 Ca 0.03 1.66 -0.34 0.00 0.00 0.00 0.00 60.65 62.00 3pcf s ILE 161 Cb 0.08 -4.07 -0.17 0.00 0.01 0.00 0.00 42.46 38.31 3pcf s ILE 161 CO 0.63 -0.09 1.53 -0.33 0.00 0.00 0.00 174.94 176.68 3pcf h GLU 162 N 7.77 -0.95 -5.92 2.79 5.08 -1.88 -3.41 114.58 118.06 3pcf h GLU 162 Ca -0.28 0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.54 3pcf h GLU 162 Cb 1.12 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 3pcf h GLU 162 CO 0.93 -0.64 0.51 -0.65 -1.00 0.00 0.00 179.01 178.16 3pcf s GLN 163 N -5.69 3.93 0.33 2.33 -1.52 -1.26 -4.93 119.66 112.85 3pcf s GLN 163 Ca -0.17 0.64 0.09 0.00 -1.95 0.00 0.00 55.36 53.96 3pcf s GLN 163 Cb 0.04 -3.75 0.81 0.00 -0.22 0.00 0.00 33.01 29.89 3pcf s GLN 163 CO 0.56 -0.78 1.81 -1.35 -0.25 0.00 0.00 175.29 175.28 3pcf h PRO 164 N 8.21 0.68 -0.60 2.91 0.11 -1.98 0.14 132.00 141.46 3pcf h PRO 164 Ca -0.23 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.97 3pcf h PRO 164 Cb 1.09 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 3pcf h PRO 164 CO 0.93 0.45 0.42 1.96 -0.21 0.00 0.00 178.00 181.54 3pcf h GLN 165 N 0.70 0.22 0.00 1.05 7.50 -1.96 -0.50 115.11 122.11 3pcf h GLN 165 Ca 0.53 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.61 3pcf h GLN 165 Cb 0.91 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.39 3pcf h GLN 165 CO -0.30 0.14 -0.42 0.00 -1.50 0.00 0.00 178.83 176.75 3pcf h ARG 166 N 0.23 0.00 -0.85 1.46 3.08 -1.13 -3.25 114.38 113.92 3pcf h ARG 166 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3pcf h ARG 166 Cb 0.83 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 3pcf h ARG 166 CO -0.06 0.25 0.46 0.00 -1.07 0.00 0.00 179.97 179.55 3pcf h ARG 167 N 0.00 1.18 -0.93 0.04 3.08 -1.01 -2.78 114.38 113.95 3pcf h ARG 167 Ca -0.01 -0.14 0.20 0.00 0.07 0.00 0.00 59.98 60.10 3pcf h ARG 167 Cb 1.22 -0.23 -0.11 0.00 0.08 0.00 0.00 29.97 30.92 3pcf h ARG 167 CO 0.03 0.87 0.49 0.93 -1.07 0.00 0.00 179.97 181.23 3pcf h GLU 168 N 1.19 0.55 -0.19 0.04 5.08 -1.57 -1.37 114.58 118.31 3pcf h GLU 168 Ca 0.30 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 3pcf h GLU 168 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3pcf h GLU 168 CO -0.05 0.36 0.31 1.79 -1.00 0.00 0.00 179.01 180.43 3pcf h THR 169 N 0.57 0.25 -0.01 1.13 1.35 -1.67 -0.70 112.91 113.83 3pcf h THR 169 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.42 3pcf h THR 169 Cb 0.98 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3pcf h THR 169 CO -0.45 0.00 -0.08 0.18 -0.25 0.00 0.00 175.52 174.92 3pcf n LEU 170 N -3.42 1.07 -4.55 3.87 4.77 -0.51 -4.83 117.00 113.39 3pcf n LEU 170 Ca 0.02 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 3pcf n LEU 170 Cb 0.43 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3pcf n LEU 170 CO 0.22 0.19 -0.03 -0.63 -1.33 0.00 0.00 177.39 175.81 3pcf s ILE 171 N -2.19 5.22 0.23 -0.08 1.01 -0.27 -0.64 121.20 124.48 3pcf s ILE 171 Ca 0.34 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3pcf s ILE 171 Cb 0.21 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3pcf s ILE 171 CO 0.40 -0.01 1.11 0.00 0.00 0.00 0.00 174.94 176.45 3pcf s ALA 172 N 1.91 3.40 -0.37 9.38 0.00 0.49 -4.83 121.76 131.74 3pcf s ALA 172 Ca 0.10 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 3pcf s ALA 172 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3pcf s ALA 172 CO 0.11 -0.20 0.45 0.15 0.00 0.00 0.00 175.76 176.27 3pcf s LYS 173 N -0.91 3.47 0.41 0.00 1.02 -0.94 -0.78 119.74 122.02 3pcf s LYS 173 Ca 0.47 -0.39 -0.26 0.00 0.02 0.00 0.00 55.97 55.81 3pcf s LYS 173 Cb -0.31 -3.85 -0.09 0.00 -0.52 0.00 0.00 37.83 33.06 3pcf s LYS 173 CO 0.38 -0.67 1.37 0.50 -0.92 0.00 0.00 175.35 176.01 3pcf s ARG 174 N 2.23 3.90 0.02 1.68 3.52 -1.26 -1.84 118.95 127.20 3pcf s ARG 174 Ca 0.15 2.30 -0.01 0.00 -0.13 0.00 0.00 55.73 58.04 3pcf s ARG 174 Cb -0.16 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 3pcf s ARG 174 CO 0.13 -0.60 0.04 0.00 -0.81 0.00 0.00 175.30 174.06 3pcf s GLU 176 N -2.02 0.52 -0.13 0.00 2.12 -1.26 -0.84 118.70 117.09 3pcf s GLU 176 Ca 0.01 -0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 3pcf s GLU 176 Cb -0.00 -0.48 0.04 0.00 0.26 0.00 0.00 34.13 33.95 3pcf s GLU 176 CO 0.01 0.13 0.01 0.08 -0.54 0.00 0.00 175.26 174.94 3pcf s VAL 177 N -0.31 0.53 -1.46 3.70 1.01 0.40 -4.78 120.40 119.49 3pcf s VAL 177 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3pcf s VAL 177 Cb -0.03 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.58 3pcf s VAL 177 CO -0.00 0.07 0.92 0.47 0.00 0.00 0.00 175.10 176.56 3pcf n ASP 178 N 5.07 -3.88 -0.92 3.32 8.00 -1.26 0.63 116.55 127.52 3pcf n ASP 178 Ca -0.09 -0.77 -0.12 0.00 0.71 0.00 0.00 54.79 54.52 3pcf n ASP 178 Cb 0.49 -4.03 -0.05 0.00 -0.02 0.00 0.00 41.12 37.51 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 -1.68 1.25 3.60 0.44 0.00 -1.26 -4.98 105.19 102.56 3pcf n GLY 179 Ca -0.06 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.90 2.71 -0.10 1.61 2.20 0.20 -5.08 119.74 118.39 3pcf s LYS 180 Ca 0.00 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 3pcf s LYS 180 Cb 0.00 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 3pcf s LYS 180 CO 0.00 0.64 1.56 0.99 -0.36 0.00 0.00 175.35 178.18 3pcf s THR 181 N -0.90 3.76 0.09 3.43 2.01 -1.26 0.15 115.64 122.91 3pcf s THR 181 Ca 0.15 0.91 0.06 0.00 0.31 0.00 0.00 61.69 63.12 3pcf s THR 181 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3pcf s THR 181 CO 0.04 -0.10 -0.15 0.00 -0.69 0.00 0.00 174.62 173.72 3pcf s ALA 182 N 4.02 1.34 -0.06 7.40 0.00 -0.02 -1.25 121.76 133.19 3pcf s ALA 182 Ca 0.69 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3pcf s ALA 182 Cb -0.30 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3pcf s ALA 182 CO 0.26 0.19 -0.11 0.71 0.00 0.00 0.00 175.76 176.81 3pcf s TYR 183 N -1.43 1.32 -0.24 0.00 1.51 0.34 0.13 117.35 118.98 3pcf s TYR 183 Ca 0.02 -0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 55.50 3pcf s TYR 183 Cb -0.09 -0.99 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 3pcf s TYR 183 CO 0.03 -0.26 0.15 0.50 -1.11 0.00 0.00 175.55 174.85 3pcf s ARG 184 N 0.72 4.00 -0.33 -0.62 3.52 -0.77 -1.36 118.95 124.12 3pcf s ARG 184 Ca -0.14 -0.30 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 3pcf s ARG 184 Cb -0.15 -3.51 0.11 0.00 -1.56 0.00 0.00 34.95 29.84 3pcf s ARG 184 CO 0.03 0.02 0.12 0.12 -0.81 0.00 0.00 175.30 174.78 3pcf s PHE 185 N 1.15 1.74 0.20 5.12 5.36 0.32 -2.21 117.98 129.67 3pcf s PHE 185 Ca 0.07 -1.85 -0.16 0.00 -0.96 0.00 0.00 56.93 54.03 3pcf s PHE 185 Cb -0.14 -1.73 -0.08 0.00 -0.34 0.00 0.00 43.02 40.73 3pcf s PHE 185 CO 0.05 -0.86 0.64 -0.51 -1.46 0.00 0.00 175.22 173.07 3pcf s ASP 186 N 1.41 6.90 -0.14 6.13 1.01 -1.26 -4.26 116.67 126.46 3pcf s ASP 186 Ca 0.11 1.22 0.00 0.00 0.71 0.00 0.00 52.55 54.59 3pcf s ASP 186 Cb -0.18 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 3pcf s ASP 186 CO -0.21 0.03 -0.14 -0.63 0.21 0.00 0.00 175.17 174.43 3pcf s ILE 187 N -1.57 2.89 -0.32 0.77 1.01 0.73 -4.95 121.20 119.76 3pcf s ILE 187 Ca 0.42 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3pcf s ILE 187 Cb -0.15 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.16 3pcf s ILE 187 CO 0.20 0.52 0.04 -0.13 0.00 0.00 0.00 174.94 175.57 3pcf s ARG 188 N 0.51 2.42 0.20 2.79 0.52 -1.26 -0.25 118.95 123.88 3pcf s ARG 188 Ca -0.09 -1.31 -0.08 0.00 -0.52 0.00 0.00 55.73 53.73 3pcf s ARG 188 Cb -0.16 -3.28 0.13 0.00 0.52 0.00 0.00 34.95 32.16 3pcf s ARG 188 CO 0.04 -0.68 1.73 0.82 0.02 0.00 0.00 175.30 177.23 3pcf h ILE 189 N 6.39 1.26 -3.28 1.52 2.04 -1.56 0.21 117.51 124.10 3pcf h ILE 189 Ca -0.21 -0.96 -0.14 0.00 1.00 0.00 0.00 64.86 64.55 3pcf h ILE 189 Cb 1.06 0.50 -0.22 0.00 -0.74 0.00 0.00 36.82 37.42 3pcf h ILE 189 CO 0.56 0.37 -0.42 -1.58 0.00 0.00 0.00 178.15 177.09 3pcf s GLN 190 N -5.34 0.47 1.41 2.37 0.74 -1.26 -4.72 119.66 113.33 3pcf s GLN 190 Ca -0.12 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.17 3pcf s GLN 190 Cb 0.15 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.46 3pcf s GLN 190 CO 0.85 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.89 3pcf n GLY 191 N 1.87 -0.23 3.68 2.59 0.00 -1.26 -4.23 105.19 107.61 3pcf n GLY 191 Ca -0.19 -1.49 -0.49 0.00 0.00 0.00 0.00 46.02 43.84 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 2.03 -2.25 1.61 2.13 -1.26 -0.17 120.64 122.73 3pcf n GLU 192 Ca 0.00 0.74 -0.11 0.00 0.66 0.00 0.00 57.16 58.45 3pcf n GLU 192 Cb 0.00 -2.55 -0.00 0.00 0.27 0.00 0.00 31.44 29.16 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 4.15 -0.07 3.73 8.31 0.00 -1.26 -4.94 105.19 115.11 3pcf n GLY 193 Ca 0.22 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.09 2.63 -2.35 1.61 2.13 0.76 -4.58 120.64 118.75 3pcf n GLU 194 Ca -0.12 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.26 3pcf n GLU 194 Cb 0.59 -2.72 -0.02 0.00 0.27 0.00 0.00 31.44 29.56 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 0.22 3.28 0.16 6.31 2.01 0.73 -4.93 115.64 123.41 3pcf s THR 195 Ca 0.67 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.41 3pcf s THR 195 Cb -0.52 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 3pcf s THR 195 CO 0.46 0.07 1.30 -0.69 -0.69 0.00 0.00 174.62 175.07 3pcf s VAL 196 N -1.47 3.38 -0.00 3.82 1.01 -1.26 -4.93 120.40 120.94 3pcf s VAL 196 Ca 0.57 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3pcf s VAL 196 Cb -0.29 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3pcf s VAL 196 CO 0.36 0.13 -0.25 -0.36 0.00 0.00 0.00 175.10 174.98 3pcf s PHE 197 N 0.47 2.23 0.35 5.22 0.08 -1.26 -4.65 117.98 120.42 3pcf s PHE 197 Ca 0.58 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 57.29 3pcf s PHE 197 Cb -0.35 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3pcf s PHE 197 CO 0.35 0.00 0.32 -0.06 -0.10 0.00 0.00 175.22 175.73 3pcf s PHE 198 N -0.64 2.88 -0.04 0.36 0.08 0.78 -4.98 117.98 116.41 3pcf s PHE 198 Ca 0.10 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.84 3pcf s PHE 198 Cb -0.10 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3pcf s PHE 198 CO -0.00 0.12 -0.09 0.34 -0.10 0.00 0.00 175.22 175.49 3pcf s ASP 199 N -4.03 1.28 0.00 1.36 2.15 -1.26 -4.25 116.67 111.92 3pcf s ASP 199 Ca 0.42 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.20 3pcf s ASP 199 Cb -0.06 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 3pcf s ASP 199 CO 0.27 0.02 0.00 2.22 -0.17 0.00 0.00 175.17 177.51