#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 3.67 -0.04 4.25 -1.09 -1.26 -5.05 121.20 121.68 3pcf s ILE 2 Ca 0.00 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.08 3pcf s ILE 2 Cb 0.00 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 3pcf s ILE 2 CO 0.00 0.35 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.26 3pcf s GLU 3 N -1.08 1.86 0.39 2.79 0.41 -1.26 -5.16 118.70 116.66 3pcf s GLU 3 Ca 0.46 -0.69 0.02 0.00 -0.41 0.00 0.00 54.97 54.35 3pcf s GLU 3 Cb -0.30 -1.66 0.07 0.00 -1.78 0.00 0.00 34.13 30.46 3pcf s GLU 3 CO 0.38 0.32 0.54 1.28 -0.49 0.00 0.00 175.26 177.28 3pcf n LEU 4 N 2.96 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 115.00 3pcf n LEU 4 Ca -0.17 -1.29 -0.34 0.00 -0.02 0.00 0.00 56.01 54.20 3pcf n LEU 4 Cb 0.53 -0.33 0.05 0.00 -1.62 0.00 0.00 43.42 42.05 3pcf n LEU 4 CO 0.25 -0.73 0.76 -0.76 -1.22 0.00 0.00 177.39 175.69 3pcf s LEU 5 N 0.00 3.44 0.25 2.23 1.43 -1.26 -4.97 118.68 119.80 3pcf s LEU 5 Ca 0.37 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 3pcf s LEU 5 Cb -0.02 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.54 3pcf s LEU 5 CO 0.24 -1.67 0.96 -2.16 0.23 0.00 0.00 176.35 173.95 3pcf s PRO 6 N -3.90 4.80 0.50 1.29 0.04 -1.26 -5.02 135.00 131.44 3pcf s PRO 6 Ca 0.70 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 3pcf s PRO 6 Cb -0.23 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 3pcf s PRO 6 CO 0.39 0.46 1.23 -2.00 0.04 0.00 0.00 177.00 177.12 3pcf s GLU 7 N -1.31 3.49 0.19 4.56 2.12 -1.26 -4.92 118.70 121.56 3pcf s GLU 7 Ca 0.42 1.92 -0.31 0.00 0.36 0.00 0.00 54.97 57.36 3pcf s GLU 7 Cb -0.26 -2.31 -0.10 0.00 0.26 0.00 0.00 34.13 31.72 3pcf s GLU 7 CO 0.32 -0.82 1.59 0.99 -0.54 0.00 0.00 175.26 176.80 3pcf s THR 8 N -1.48 2.49 0.48 -1.70 2.01 -1.26 -4.94 115.64 111.24 3pcf s THR 8 Ca 0.67 0.36 -0.22 0.00 0.31 0.00 0.00 61.69 62.81 3pcf s THR 8 Cb -0.32 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 3pcf s THR 8 CO 0.38 0.03 1.16 -2.16 -0.69 0.00 0.00 174.62 173.34 3pcf s PRO 9 N 0.93 3.67 0.66 4.92 0.04 -1.26 -5.02 135.00 138.94 3pcf s PRO 9 Ca 0.70 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 3pcf s PRO 9 Cb -0.45 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 3pcf s PRO 9 CO 0.33 -0.61 1.08 0.45 0.04 0.00 0.00 177.00 178.29 3pcf s SER 10 N -1.45 5.25 0.03 6.66 0.15 -1.26 -5.09 113.70 117.99 3pcf s SER 10 Ca 0.66 1.87 -0.04 0.00 0.70 0.00 0.00 55.95 59.14 3pcf s SER 10 Cb -0.27 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.49 3pcf s SER 10 CO 0.33 -1.53 0.05 -1.10 1.20 0.00 0.00 173.24 172.19 3pcf s GLN 11 N -4.33 0.49 0.44 5.44 -1.52 -1.15 -4.91 119.66 114.14 3pcf s GLN 11 Ca 0.64 -0.71 -0.25 0.00 -1.95 0.00 0.00 55.36 53.09 3pcf s GLN 11 Cb -0.18 0.19 -0.08 0.00 -0.22 0.00 0.00 33.01 32.72 3pcf s GLN 11 CO 0.44 -0.11 1.34 -0.08 -0.25 0.00 0.00 175.29 176.63 3pcf s THR 12 N -2.24 2.41 0.40 -0.19 -1.32 -1.14 -4.71 115.64 108.85 3pcf s THR 12 Ca -0.08 0.35 0.31 0.00 -1.21 0.00 0.00 61.69 61.06 3pcf s THR 12 Cb -0.04 -3.20 0.33 0.00 -1.51 0.00 0.00 72.50 68.08 3pcf s THR 12 CO -0.03 0.04 2.10 0.00 -2.21 0.00 0.00 174.62 174.52 3pcf h ALA 13 N 2.33 1.20 0.00 11.08 0.00 -1.74 -3.49 119.26 128.64 3pcf h ALA 13 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3pcf h ALA 13 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pcf h ALA 13 CO 0.61 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3pcf n GLY 14 N -0.63 -1.22 0.23 0.00 0.00 -1.26 -4.13 105.19 98.19 3pcf n GLY 14 Ca -0.02 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.65 1.61 0.13 -1.92 -3.21 132.00 127.96 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 -3.73 1.56 -0.17 1.56 4.01 -1.26 -4.61 117.16 114.51 3pcf n TYR 16 Ca -0.01 -0.56 0.29 0.00 -0.16 0.00 0.00 57.90 57.46 3pcf n TYR 16 Cb 0.32 -0.37 0.72 0.00 -0.31 0.00 0.00 39.34 39.70 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 3.29 0.42 -0.55 -0.72 3.04 -1.71 -2.00 116.25 118.03 3pcf h VAL 17 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 3pcf h VAL 17 Cb 1.56 0.48 -0.04 0.00 -2.01 0.00 0.00 31.29 31.28 3pcf h VAL 17 CO 0.34 0.00 0.31 0.45 -1.01 0.00 0.00 177.57 177.66 3pcf h HIS 18 N 0.00 0.58 -0.83 3.17 3.86 -1.83 -0.55 115.15 119.55 3pcf h HIS 18 Ca 0.43 0.02 0.23 0.00 -1.16 0.00 0.00 60.37 59.89 3pcf h HIS 18 Cb 1.86 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 30.11 3pcf h HIS 18 CO 0.00 0.31 0.59 -0.84 0.86 0.00 0.00 177.93 178.85 3pcf h ILE 19 N 0.61 0.60 0.05 2.45 3.07 -1.56 0.56 117.51 123.28 3pcf h ILE 19 Ca 0.23 -0.02 -0.38 0.00 1.55 0.00 0.00 64.86 66.24 3pcf h ILE 19 Cb 0.08 0.54 -0.05 0.00 -0.27 0.00 0.00 36.82 37.12 3pcf h ILE 19 CO -0.13 0.01 -2.27 0.61 -1.05 0.00 0.00 178.15 175.32 3pcf n GLY 20 N -1.67 -0.47 0.06 0.16 0.00 -0.82 -4.64 105.19 97.82 3pcf n GLY 20 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.33 0.63 -2.99 0.99 4.77 -0.28 -4.82 117.00 111.98 3pcf n LEU 21 Ca -0.40 -0.70 -0.16 0.00 -0.03 0.00 0.00 56.01 54.73 3pcf n LEU 21 Cb 1.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.10 3pcf n LEU 21 CO 0.34 0.14 -0.05 0.00 -1.33 0.00 0.00 177.39 176.49 3pcf n ALA 22 N -0.57 0.68 -0.15 -1.18 0.00 0.19 -4.97 120.51 114.51 3pcf n ALA 22 Ca 0.01 -2.49 -0.03 0.00 0.00 0.00 0.00 53.44 50.93 3pcf n ALA 22 Cb 0.07 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 3.75 -0.33 -0.13 0.00 4.07 -1.72 0.71 115.31 121.66 3pcf h LEU 23 Ca -0.02 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.10 3pcf h LEU 23 Cb 0.97 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.91 3pcf h LEU 23 CO 0.38 -0.12 -0.49 1.05 -1.08 0.00 0.00 178.44 178.19 3pcf h GLU 24 N 0.05 -0.50 -0.99 1.13 -0.00 -1.88 -0.59 114.58 111.81 3pcf h GLU 24 Ca 0.24 0.03 0.20 0.00 -0.00 0.00 0.00 59.36 59.84 3pcf h GLU 24 Cb 0.37 0.11 -0.10 0.00 -0.00 0.00 0.00 28.75 29.14 3pcf h GLU 24 CO -0.46 -0.33 0.62 0.00 -0.00 0.00 0.00 179.01 178.84 3pcf h ALA 25 N -0.42 1.84 0.00 1.06 0.00 -1.75 2.20 119.26 122.19 3pcf h ALA 25 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3pcf h ALA 25 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3pcf h ALA 25 CO -0.39 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.66 3pcf h ALA 26 N 1.64 1.00 -1.36 0.00 0.00 0.62 -3.46 119.26 117.70 3pcf h ALA 26 Ca 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 3pcf h ALA 26 Cb 1.02 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3pcf h ALA 26 CO -0.33 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.24 3pcf n GLY 27 N -0.32 0.64 3.47 0.00 0.00 0.74 -4.95 105.19 104.76 3pcf n GLY 27 Ca 0.01 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.00 3.44 0.27 1.61 0.01 -0.75 -5.04 114.94 111.47 3pcf s ASN 28 Ca 0.06 -1.07 -0.30 0.00 -0.71 0.00 0.00 52.86 50.85 3pcf s ASN 28 Cb -0.03 -0.28 -0.10 0.00 0.41 0.00 0.00 41.25 41.25 3pcf s ASN 28 CO 0.08 -0.05 1.42 -2.16 -1.51 0.00 0.00 177.10 174.87 3pcf s PRO 29 N -3.56 4.27 0.78 -0.60 0.04 -1.26 -4.03 135.00 130.64 3pcf s PRO 29 Ca 0.29 2.30 -0.07 0.00 0.04 0.00 0.00 61.00 63.57 3pcf s PRO 29 Cb -0.03 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.54 3pcf s PRO 29 CO 0.14 -0.38 1.08 0.95 0.04 0.00 0.00 177.00 178.83 3pcf s THR 30 N -0.28 2.16 0.41 1.26 -4.23 -1.26 -4.91 115.64 108.79 3pcf s THR 30 Ca 0.57 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 3pcf s THR 30 Cb -0.42 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 70.59 3pcf s THR 30 CO 0.46 0.00 0.55 -0.13 -0.54 0.00 0.00 174.62 174.96 3pcf s ARG 31 N -5.37 2.85 0.26 3.99 0.52 -1.26 -5.01 118.95 114.92 3pcf s ARG 31 Ca 0.66 -1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 54.60 3pcf s ARG 31 Cb -0.07 -2.75 0.52 0.00 0.52 0.00 0.00 34.95 33.17 3pcf s ARG 31 CO 0.47 -0.23 1.65 -0.44 0.02 0.00 0.00 175.30 176.76 3pcf h ASP 32 N 0.68 -0.18 -3.37 0.23 3.32 -2.07 -3.39 116.42 111.64 3pcf h ASP 32 Ca -0.41 0.19 -0.58 0.00 0.02 0.00 0.00 57.03 56.25 3pcf h ASP 32 Cb 1.28 0.29 -0.33 0.00 0.22 0.00 0.00 39.33 40.79 3pcf h ASP 32 CO 0.46 -0.15 -0.84 -1.10 -1.72 0.00 0.00 179.24 175.90 3pcf s GLN 33 N -6.05 2.24 0.04 3.56 -0.21 -1.26 -5.12 119.66 112.85 3pcf s GLN 33 Ca -0.13 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.68 3pcf s GLN 33 Cb 0.23 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 3pcf s GLN 33 CO 0.76 0.07 -0.08 -1.21 -2.12 0.00 0.00 175.29 172.70 3pcf s GLU 34 N 0.60 0.55 -0.34 2.91 0.41 -1.26 -5.12 118.70 116.44 3pcf s GLU 34 Ca -0.15 -0.73 -0.16 0.00 -0.41 0.00 0.00 54.97 53.52 3pcf s GLU 34 Cb -0.16 -0.36 -0.01 0.00 -1.78 0.00 0.00 34.13 31.82 3pcf s GLU 34 CO 0.05 0.07 0.41 0.42 -0.49 0.00 0.00 175.26 175.72 3pcf s ILE 35 N -1.26 5.12 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.14 3pcf s ILE 35 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3pcf s ILE 35 Cb -0.09 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3pcf s ILE 35 CO 0.01 -0.13 0.00 1.87 0.00 0.00 0.00 174.94 176.68 3pcf n TRP 36 N 5.50 0.00 0.98 3.97 -0.00 -1.26 -4.63 117.44 122.00 3pcf n TRP 36 Ca -0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.44 3pcf n TRP 36 Cb 0.49 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.88 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 -0.04 1.52 -4.08 5.87 6.94 -0.50 -2.60 115.26 122.36 3pcf n ASN 37 Ca 0.00 -2.11 -0.36 0.00 -0.02 0.00 0.00 54.58 52.09 3pcf n ASN 37 Cb 0.00 -0.36 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 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 -1.54 2.58 0.20 -3.83 3.52 -1.26 0.03 118.95 118.65 3pcf s ARG 38 Ca 0.11 -2.63 0.05 0.00 -0.13 0.00 0.00 55.73 53.13 3pcf s ARG 38 Cb 0.07 -3.71 0.11 0.00 -1.56 0.00 0.00 34.95 29.86 3pcf s ARG 38 CO 0.05 -1.18 1.46 -0.07 -0.81 0.00 0.00 175.30 174.75 3pcf h LEU 39 N 6.85 0.17 -8.88 -0.88 4.07 -0.89 -3.45 115.31 112.29 3pcf h LEU 39 Ca -0.00 -0.12 -0.69 0.00 0.08 0.00 0.00 57.88 57.14 3pcf h LEU 39 Cb 0.93 -0.05 -0.24 0.00 1.08 0.00 0.00 40.66 42.38 3pcf h LEU 39 CO 0.72 0.87 -0.82 0.00 -1.08 0.00 0.00 178.44 178.13 3pcf s ALA 40 N -3.37 2.51 0.10 1.53 0.00 -1.15 -0.93 121.76 120.45 3pcf s ALA 40 Ca -0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 3pcf s ALA 40 Cb 0.11 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 3pcf s ALA 40 CO 0.81 0.56 0.41 0.15 0.00 0.00 0.00 175.76 177.68 3pcf s LYS 41 N -1.18 3.74 0.33 0.00 1.02 0.44 -4.83 119.74 119.26 3pcf s LYS 41 Ca 0.13 0.14 0.19 0.00 0.02 0.00 0.00 55.97 56.45 3pcf s LYS 41 Cb -0.10 -2.95 1.18 0.00 -0.52 0.00 0.00 37.83 35.43 3pcf s LYS 41 CO 0.03 0.53 1.36 -0.35 -0.92 0.00 0.00 175.35 176.00 3pcf n PRO 42 N 0.71 -0.05 -0.61 -1.68 -0.04 -1.26 0.94 135.00 133.00 3pcf n PRO 42 Ca -0.07 1.18 0.02 0.00 -0.04 0.00 0.00 63.50 64.59 3pcf n PRO 42 Cb 0.52 -2.14 0.24 0.00 -0.04 0.00 0.00 33.50 32.09 3pcf n PRO 42 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3pcf n ASP 43 N -4.89 3.98 -4.78 3.54 5.75 -1.26 -4.90 116.55 114.00 3pcf n ASP 43 Ca 0.33 -2.67 -0.39 0.00 -0.01 0.00 0.00 54.79 52.05 3pcf n ASP 43 Cb 1.14 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 40.53 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 -2.14 3.48 0.55 2.12 0.00 0.27 -5.03 121.76 121.00 3pcf s ALA 44 Ca 0.35 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 3pcf s ALA 44 Cb 0.27 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 3pcf s ALA 44 CO 0.10 0.30 1.13 -1.25 0.00 0.00 0.00 175.76 176.04 3pcf s PRO 45 N -1.00 3.33 0.00 0.00 0.04 -1.26 -4.89 135.00 131.22 3pcf s PRO 45 Ca 0.34 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3pcf s PRO 45 Cb -0.22 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3pcf s PRO 45 CO 0.24 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3pcf n GLY 46 N 0.18 1.50 3.60 0.56 0.00 -1.26 -4.53 105.19 105.23 3pcf n GLY 46 Ca 0.12 -2.16 -0.43 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 -1.56 3.78 0.24 1.61 2.12 -1.26 -4.94 118.70 118.69 3pcf s GLU 47 Ca 0.00 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 3pcf s GLU 47 Cb 0.00 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 3pcf s GLU 47 CO 0.00 -1.16 1.34 -1.01 -0.54 0.00 0.00 175.26 173.90 3pcf s HIS 48 N 3.93 3.15 0.05 5.30 3.76 -1.26 -1.61 115.29 128.61 3pcf s HIS 48 Ca 0.43 1.21 -0.02 0.00 -0.15 0.00 0.00 55.06 56.52 3pcf s HIS 48 Cb -0.10 -3.68 -0.03 0.00 1.11 0.00 0.00 32.58 29.89 3pcf s HIS 48 CO 0.24 -2.09 0.01 0.96 -0.85 0.00 0.00 174.74 173.02 3pcf s ILE 49 N -0.19 0.19 -0.11 0.60 -4.36 0.20 -4.69 121.20 112.85 3pcf s ILE 49 Ca 0.56 -1.58 -0.00 0.00 -0.26 0.00 0.00 60.65 59.37 3pcf s ILE 49 Cb -0.39 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 3pcf s ILE 49 CO 0.42 -0.87 -0.09 -0.22 0.24 0.00 0.00 174.94 174.43 3pcf s LEU 50 N -2.70 3.01 0.00 0.37 2.96 -0.47 -2.19 118.68 119.66 3pcf s LEU 50 Ca 0.04 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3pcf s LEU 50 Cb 0.05 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3pcf s LEU 50 CO -0.09 0.26 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.23 3pcf s LEU 51 N -0.17 2.41 0.09 -0.68 1.43 -0.49 -1.14 118.68 120.13 3pcf s LEU 51 Ca 0.01 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 3pcf s LEU 51 Cb -0.13 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.69 3pcf s LEU 51 CO 0.03 0.30 0.43 -1.48 0.23 0.00 0.00 176.35 175.85 3pcf s LEU 52 N -1.00 0.30 0.10 1.79 -0.00 -0.89 -1.06 118.68 117.92 3pcf s LEU 52 Ca 0.12 -0.14 -0.25 0.00 -0.00 0.00 0.00 54.13 53.86 3pcf s LEU 52 Cb -0.10 1.88 0.09 0.00 -0.00 0.00 0.00 46.19 48.05 3pcf s LEU 52 CO 0.02 -0.78 1.14 -0.83 -0.00 0.00 0.00 176.35 175.89 3pcf s GLY 53 N -2.45 -0.03 0.12 -3.48 0.00 -0.98 -0.88 107.32 99.62 3pcf s GLY 53 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.67 3pcf s GLY 53 CO -0.08 3.07 -0.12 1.20 0.00 0.00 0.00 173.10 177.17 3pcf s GLN 54 N -2.22 0.97 -0.11 2.90 -0.21 -1.26 -1.46 119.66 118.28 3pcf s GLN 54 Ca 0.23 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.37 3pcf s GLN 54 Cb -0.01 -0.72 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 3pcf s GLN 54 CO 0.02 0.12 -0.19 0.08 -2.12 0.00 0.00 175.29 173.20 3pcf s VAL 55 N -2.48 2.50 -0.05 1.09 1.01 -1.26 -0.68 120.40 120.52 3pcf s VAL 55 Ca 0.09 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3pcf s VAL 55 Cb -0.03 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3pcf s VAL 55 CO 0.02 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.14 3pcf s TYR 56 N 0.32 2.53 0.94 5.22 2.02 0.12 0.22 117.35 128.71 3pcf s TYR 56 Ca -0.15 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 3pcf s TYR 56 Cb -0.17 -1.60 0.20 0.00 -0.40 0.00 0.00 41.96 39.98 3pcf s TYR 56 CO 0.07 -0.04 1.29 0.16 -1.57 0.00 0.00 175.55 175.46 3pcf s ASP 57 N -0.42 3.21 0.65 2.29 1.47 0.32 -1.09 116.67 123.10 3pcf s ASP 57 Ca 0.04 0.14 0.39 0.00 1.18 0.00 0.00 52.55 54.31 3pcf s ASP 57 Cb -0.12 -0.21 2.21 0.00 -0.34 0.00 0.00 42.92 44.46 3pcf s ASP 57 CO 0.02 -2.66 2.31 1.23 0.68 0.00 0.00 175.17 176.75 3pcf h GLY 58 N -1.52 0.00 -2.12 2.12 0.00 -1.88 -1.33 103.07 98.34 3pcf h GLY 58 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3pcf h GLY 58 CO 0.37 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.61 3pcf n ASN 59 N -3.30 3.24 0.00 0.19 3.02 -1.26 -4.74 115.26 112.41 3pcf n ASN 59 Ca -0.03 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3pcf n ASN 59 Cb 0.10 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.45 0.80 3.79 7.41 0.00 -0.50 -5.03 105.19 113.11 3pcf n GLY 60 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.02 3.82 0.24 1.61 3.76 -1.26 -4.77 115.29 115.66 3pcf s HIS 61 Ca 0.00 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.12 3pcf s HIS 61 Cb 0.00 -2.69 -0.11 0.00 1.11 0.00 0.00 32.58 30.90 3pcf s HIS 61 CO 0.00 0.47 1.54 -0.51 -0.85 0.00 0.00 174.74 175.40 3pcf s LEU 62 N -1.39 4.37 -0.59 0.89 1.43 -1.26 -0.52 118.68 121.60 3pcf s LEU 62 Ca 0.37 2.77 -0.19 0.00 -1.03 0.00 0.00 54.13 56.05 3pcf s LEU 62 Cb -0.21 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.50 3pcf s LEU 62 CO 0.24 -0.82 0.69 -0.69 0.23 0.00 0.00 176.35 175.99 3pcf s VAL 63 N 0.32 4.85 -2.05 -1.59 1.01 0.13 -4.85 120.40 118.22 3pcf s VAL 63 Ca 0.64 -1.02 0.29 0.00 0.00 0.00 0.00 61.98 61.89 3pcf s VAL 63 Cb -0.45 -4.48 0.57 0.00 0.00 0.00 0.00 36.38 32.02 3pcf s VAL 63 CO 0.41 -1.11 1.86 0.54 0.00 0.00 0.00 175.10 176.81 3pcf n ARG 64 N 6.26 1.13 -0.43 2.72 1.74 -1.26 -3.95 116.66 122.86 3pcf n ARG 64 Ca -0.10 -0.48 0.07 0.00 -0.77 0.00 0.00 57.85 56.58 3pcf n ARG 64 Cb 0.42 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.52 1.87 -4.82 0.55 5.68 -1.26 -4.03 116.55 114.02 3pcf n ASP 65 Ca 0.18 -3.43 -0.33 0.00 -0.50 0.00 0.00 54.79 50.70 3pcf n ASP 65 Cb 0.28 -0.47 -0.06 0.00 -1.14 0.00 0.00 41.12 39.73 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 -2.96 6.80 -0.05 -1.12 1.04 -1.25 -4.59 113.70 111.56 3pcf s SER 66 Ca 0.34 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.54 3pcf s SER 66 Cb 0.32 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.91 3pcf s SER 66 CO -0.03 -0.46 -0.11 0.12 0.98 0.00 0.00 173.24 173.75 3pcf s PHE 67 N -2.14 1.25 0.11 5.02 5.36 0.20 -2.31 117.98 125.47 3pcf s PHE 67 Ca 0.63 -0.42 0.07 0.00 -0.96 0.00 0.00 56.93 56.25 3pcf s PHE 67 Cb -0.11 -0.93 -0.04 0.00 -0.34 0.00 0.00 43.02 41.61 3pcf s PHE 67 CO 0.15 -0.22 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.01 3pcf s LEU 68 N 0.58 2.34 -0.02 6.12 1.02 -0.17 0.05 118.68 128.60 3pcf s LEU 68 Ca -0.11 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.35 3pcf s LEU 68 Cb -0.14 -0.70 -0.01 0.00 0.02 0.00 0.00 46.19 45.36 3pcf s LEU 68 CO 0.02 -0.04 -0.15 -1.61 0.02 0.00 0.00 176.35 174.59 3pcf s GLU 69 N -2.19 1.32 0.15 1.70 2.02 -0.46 -1.14 118.70 120.10 3pcf s GLU 69 Ca 0.06 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 54.60 3pcf s GLU 69 Cb -0.08 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 3pcf s GLU 69 CO 0.04 0.29 -0.18 0.14 0.02 0.00 0.00 175.26 175.57 3pcf s VAL 70 N -0.22 1.74 -0.10 2.63 -7.23 0.94 -1.28 120.40 116.88 3pcf s VAL 70 Ca 0.03 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3pcf s VAL 70 Cb -0.07 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.16 3pcf s VAL 70 CO 0.00 -0.28 0.22 0.86 -0.31 0.00 0.00 175.10 175.59 3pcf s TRP 71 N -1.89 -0.29 0.16 2.82 -0.11 -0.37 -2.07 118.94 117.19 3pcf s TRP 71 Ca 0.13 0.71 -0.18 0.00 1.22 0.00 0.00 56.10 57.99 3pcf s TRP 71 Cb -0.06 0.00 0.04 0.00 -1.50 0.00 0.00 33.47 31.94 3pcf s TRP 71 CO 0.06 -0.22 0.48 1.14 -4.62 0.00 0.00 176.95 173.78 3pcf s GLN 72 N 1.33 1.22 0.84 5.86 -2.07 -0.17 -0.03 119.66 126.65 3pcf s GLN 72 Ca -0.08 -0.73 -0.12 0.00 -1.82 0.00 0.00 55.36 52.60 3pcf s GLN 72 Cb -0.11 0.51 0.10 0.00 -1.09 0.00 0.00 33.01 32.42 3pcf s GLN 72 CO -0.08 -0.50 1.16 0.00 -1.32 0.00 0.00 175.29 174.55 3pcf s ALA 73 N -3.82 2.35 0.84 2.60 0.00 -1.26 -4.54 121.76 117.92 3pcf s ALA 73 Ca 0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 3pcf s ALA 73 Cb 0.00 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.31 3pcf s ALA 73 CO -0.09 -1.89 1.15 0.16 0.00 0.00 0.00 175.76 175.09 3pcf s ASP 74 N -4.39 3.69 0.62 0.00 1.47 0.39 -4.43 116.67 114.02 3pcf s ASP 74 Ca 0.63 -0.23 0.30 0.00 1.18 0.00 0.00 52.55 54.43 3pcf s ASP 74 Cb -0.12 0.07 1.66 0.00 -0.34 0.00 0.00 42.92 44.19 3pcf s ASP 74 CO 0.51 -2.33 2.02 0.00 0.68 0.00 0.00 175.17 176.05 3pcf h ALA 75 N -1.04 1.70 -0.25 2.11 0.00 -1.80 0.45 119.26 120.44 3pcf h ALA 75 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3pcf h ALA 75 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3pcf h ALA 75 CO 0.36 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.30 3pcf n ASN 76 N -3.46 1.90 -2.11 0.00 3.02 -1.26 -3.85 115.26 109.50 3pcf n ASN 76 Ca 0.02 -1.81 -0.10 0.00 -0.03 0.00 0.00 54.58 52.66 3pcf n ASN 76 Cb 0.41 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.15 0.13 3.08 7.41 0.00 0.14 -4.73 105.19 112.37 3pcf n GLY 77 Ca 0.15 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.12 1.59 -0.31 1.61 2.12 -1.23 -4.69 118.70 112.68 3pcf s GLU 78 Ca 0.13 -0.50 -0.24 0.00 0.36 0.00 0.00 54.97 54.72 3pcf s GLU 78 Cb -0.06 -1.38 0.00 0.00 0.26 0.00 0.00 34.13 32.95 3pcf s GLU 78 CO 0.36 0.17 0.82 0.71 -0.54 0.00 0.00 175.26 176.78 3pcf s TYR 79 N 0.19 3.20 -0.89 5.30 2.02 -1.26 0.15 117.35 126.06 3pcf s TYR 79 Ca -0.06 0.86 -0.15 0.00 -0.37 0.00 0.00 57.07 57.34 3pcf s TYR 79 Cb -0.12 -3.26 0.19 0.00 -0.40 0.00 0.00 41.96 38.38 3pcf s TYR 79 CO 0.02 -0.58 0.93 -0.65 -1.57 0.00 0.00 175.55 173.70 3pcf s GLN 80 N 3.02 3.65 0.18 -0.62 -1.52 -1.26 -4.91 119.66 118.20 3pcf s GLN 80 Ca 0.34 -2.27 0.03 0.00 -1.95 0.00 0.00 55.36 51.50 3pcf s GLN 80 Cb -0.14 -4.62 0.06 0.00 -0.22 0.00 0.00 33.01 28.09 3pcf s GLN 80 CO 0.13 -1.47 1.43 0.38 -0.25 0.00 0.00 175.29 175.51 3pcf h ASP 81 N 8.05 0.26 -1.06 5.90 2.03 -1.97 -3.22 116.42 126.43 3pcf h ASP 81 Ca 0.14 -0.20 -0.43 0.00 -0.73 0.00 0.00 57.03 55.81 3pcf h ASP 81 Cb 1.02 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.37 3pcf h ASP 81 CO 0.90 0.96 1.06 0.00 -1.03 0.00 0.00 179.24 181.13 3pcf s ALA 82 N -3.36 2.11 -0.02 4.15 0.00 -1.26 -4.93 121.76 118.45 3pcf s ALA 82 Ca -0.03 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 3pcf s ALA 82 Cb 0.11 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.65 3pcf s ALA 82 CO 0.82 -4.25 1.68 -0.47 0.00 0.00 0.00 175.76 173.54 3pcf s TYR 83 N 8.07 2.00 -0.16 0.00 5.04 -1.26 -5.00 117.35 126.05 3pcf s TYR 83 Ca 0.60 0.16 -0.09 0.00 -2.44 0.00 0.00 57.07 55.30 3pcf s TYR 83 Cb -0.05 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.36 3pcf s TYR 83 CO -0.01 -4.02 0.38 1.21 -1.34 0.00 0.00 175.55 171.77 3pcf s ASN 84 N 3.25 -0.46 0.00 4.32 3.84 -1.26 -5.02 114.94 119.61 3pcf s ASN 84 Ca 0.75 0.81 0.15 0.00 0.21 0.00 0.00 52.86 54.78 3pcf s ASN 84 Cb -0.36 0.71 0.65 0.00 -0.55 0.00 0.00 41.25 41.70 3pcf s ASN 84 CO 0.31 -0.18 1.48 0.18 -2.79 0.00 0.00 177.10 176.10 3pcf n LEU 85 N 4.11 0.00 0.11 3.21 4.77 -1.26 -2.10 117.00 125.84 3pcf n LEU 85 Ca -0.23 0.49 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 3pcf n LEU 85 Cb 0.55 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3pcf n LEU 85 CO 0.10 -0.24 -0.26 -0.33 -1.33 0.00 0.00 177.39 175.33 3pcf h GLU 86 N 0.00 0.40 -6.41 3.23 5.08 -1.99 -3.47 114.58 111.41 3pcf h GLU 86 Ca 0.00 -0.68 -0.58 0.00 -1.00 0.00 0.00 59.36 57.11 3pcf h GLU 86 Cb 0.25 0.25 0.18 0.00 0.50 0.00 0.00 28.75 29.94 3pcf h GLU 86 CO 0.00 1.31 -0.68 0.09 -1.00 0.00 0.00 179.01 178.73 3pcf n ASN 87 N -3.60 -2.07 0.07 1.42 3.02 -0.89 -4.87 115.26 108.34 3pcf n ASN 87 Ca -0.16 0.62 -0.06 0.00 -0.03 0.00 0.00 54.58 54.95 3pcf n ASN 87 Cb 1.07 -1.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.14 0.39 -3.62 5.41 0.00 -1.91 -3.45 119.26 115.94 3pcf h ALA 88 Ca -0.44 -0.88 -0.30 0.00 0.00 0.00 0.00 54.91 53.29 3pcf h ALA 88 Cb 1.38 -0.15 -0.32 0.00 0.00 0.00 0.00 17.79 18.70 3pcf h ALA 88 CO 0.42 1.21 -0.74 0.12 0.00 0.00 0.00 179.25 180.27 3pcf s PHE 89 N -2.76 0.18 -0.07 0.00 5.36 -1.26 0.17 117.98 119.60 3pcf s PHE 89 Ca 0.01 0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.05 3pcf s PHE 89 Cb 0.10 -0.24 -0.00 0.00 -0.34 0.00 0.00 43.02 42.53 3pcf s PHE 89 CO 0.82 -0.07 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.48 3pcf s ASN 90 N 0.60 2.87 0.34 6.13 0.01 -0.11 -4.96 114.94 119.82 3pcf s ASN 90 Ca -0.06 -0.49 0.26 0.00 -0.71 0.00 0.00 52.86 51.86 3pcf s ASN 90 Cb -0.08 -0.98 0.83 0.00 0.41 0.00 0.00 41.25 41.42 3pcf s ASN 90 CO -0.01 0.19 1.76 0.28 -1.51 0.00 0.00 177.10 177.81 3pcf h SER 91 N 6.34 0.00 -3.77 -1.22 0.02 -1.79 -3.43 113.55 109.70 3pcf h SER 91 Ca -0.28 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.99 3pcf h SER 91 Cb 1.20 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.54 3pcf h SER 91 CO 0.47 0.00 -0.76 0.12 -1.14 0.00 0.00 176.83 175.53 3pcf s PHE 92 N -3.27 2.71 0.24 3.45 5.36 -1.26 -1.00 117.98 124.21 3pcf s PHE 92 Ca 0.07 -0.16 -0.22 0.00 -0.96 0.00 0.00 56.93 55.66 3pcf s PHE 92 Cb 0.09 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.29 3pcf s PHE 92 CO 0.56 0.33 0.71 0.20 -1.46 0.00 0.00 175.22 175.56 3pcf s GLY 93 N -1.56 -0.21 0.00 13.12 0.00 -0.88 -4.82 107.32 112.97 3pcf s GLY 93 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 3pcf s GLY 93 CO 0.07 -0.03 0.02 0.50 0.00 0.00 0.00 173.10 173.67 3pcf s ARG 94 N -3.84 0.24 0.30 2.90 0.52 -1.07 -0.04 118.95 117.96 3pcf s ARG 94 Ca 0.09 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 54.89 3pcf s ARG 94 Cb -0.05 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.52 3pcf s ARG 94 CO 0.02 -0.04 0.50 -0.08 0.02 0.00 0.00 175.30 175.72 3pcf s THR 95 N -0.89 0.00 0.22 0.02 -1.32 -0.29 -1.41 115.64 111.96 3pcf s THR 95 Ca -0.10 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.77 3pcf s THR 95 Cb -0.06 -2.48 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 3pcf s THR 95 CO -0.00 0.00 0.50 0.00 -2.21 0.00 0.00 174.62 172.91 3pcf s ALA 96 N -3.41 -0.64 -0.04 11.08 0.00 -1.26 -1.00 121.76 126.48 3pcf s ALA 96 Ca 0.26 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 3pcf s ALA 96 Cb -0.01 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 3pcf s ALA 96 CO 0.14 -0.83 0.25 0.95 0.00 0.00 0.00 175.76 176.27 3pcf s THR 97 N -3.93 5.33 0.31 0.00 -4.23 -0.98 -4.17 115.64 107.97 3pcf s THR 97 Ca 0.14 0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 3pcf s THR 97 Cb -0.01 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 3pcf s THR 97 CO 0.02 0.50 1.37 0.42 -0.54 0.00 0.00 174.62 176.39 3pcf s THR 98 N -1.16 2.62 0.36 3.99 -4.23 -0.99 -4.60 115.64 111.64 3pcf s THR 98 Ca 0.22 0.59 0.36 0.00 -1.18 0.00 0.00 61.69 61.68 3pcf s THR 98 Cb -0.13 -3.38 0.39 0.00 1.34 0.00 0.00 72.50 70.72 3pcf s THR 98 CO 0.11 0.13 2.13 -0.26 -0.54 0.00 0.00 174.62 176.19 3pcf h PHE 99 N 3.85 0.00 0.00 3.99 0.04 -1.94 0.21 116.94 123.08 3pcf h PHE 99 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3pcf h PHE 99 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3pcf h PHE 99 CO 0.57 0.03 0.00 -0.40 -0.60 0.00 0.00 178.31 177.91 3pcf n ASP 100 N -3.20 0.00 0.14 2.17 5.75 -1.26 -4.64 116.55 115.51 3pcf n ASP 100 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.78 3pcf n ASP 100 Cb 0.21 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.61 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 1.29 -1.47 2.12 0.00 -1.98 -3.47 119.26 113.75 3pcf h ALA 101 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3pcf h ALA 101 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3pcf h ALA 101 CO 0.00 0.51 -0.19 0.41 0.00 0.00 0.00 179.25 179.98 3pcf n GLY 102 N -0.40 0.22 3.38 0.00 0.00 0.72 -4.93 105.19 104.18 3pcf n GLY 102 Ca -0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.68 1.75 0.30 1.61 2.12 -1.26 -4.29 118.70 114.25 3pcf s GLU 103 Ca 0.06 -1.15 0.10 0.00 0.36 0.00 0.00 54.97 54.34 3pcf s GLU 103 Cb -0.03 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 3pcf s GLU 103 CO 0.07 0.50 -0.05 1.67 -0.54 0.00 0.00 175.26 176.91 3pcf s TRP 104 N -0.89 2.51 0.04 5.30 1.48 -0.54 -2.34 118.94 124.50 3pcf s TRP 104 Ca 0.13 -0.35 -0.06 0.00 -1.06 0.00 0.00 56.10 54.75 3pcf s TRP 104 Cb -0.10 -1.27 -0.01 0.00 -1.16 0.00 0.00 33.47 30.93 3pcf s TRP 104 CO 0.04 0.59 0.12 0.95 -4.06 0.00 0.00 176.95 174.58 3pcf s THR 105 N -2.47 0.13 -0.02 0.66 -4.23 -1.26 -2.32 115.64 106.13 3pcf s THR 105 Ca 0.32 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.72 3pcf s THR 105 Cb -0.03 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.94 3pcf s THR 105 CO 0.18 -0.57 0.18 -0.22 -0.54 0.00 0.00 174.62 173.65 3pcf s LEU 106 N -2.09 1.38 -0.23 4.79 2.96 -0.22 -4.81 118.68 120.47 3pcf s LEU 106 Ca -0.05 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3pcf s LEU 106 Cb -0.01 0.74 0.04 0.00 0.50 0.00 0.00 46.19 47.46 3pcf s LEU 106 CO -0.04 -0.29 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.56 3pcf s HIS 107 N -0.94 3.06 0.00 5.38 3.76 0.10 -1.39 115.29 125.26 3pcf s HIS 107 Ca -0.10 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 52.84 3pcf s HIS 107 Cb -0.06 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.69 3pcf s HIS 107 CO 0.02 -0.83 0.00 -2.37 -0.85 0.00 0.00 174.74 170.70 3pcf n THR 108 N 4.54 0.00 -4.36 1.30 5.66 -0.93 -0.26 114.28 120.23 3pcf n THR 108 Ca -0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 3pcf n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.13 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 -2.18 1.88 -0.10 1.08 -7.23 -1.26 -0.63 120.40 111.96 3pcf s VAL 109 Ca 0.00 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3pcf s VAL 109 Cb 0.00 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3pcf s VAL 109 CO 0.00 -0.43 1.42 -0.75 -0.31 0.00 0.00 175.10 175.03 3pcf s LYS 110 N -3.20 4.23 0.58 4.82 2.20 -0.64 -4.87 119.74 122.86 3pcf s LYS 110 Ca 0.20 1.89 -0.21 0.00 -0.36 0.00 0.00 55.97 57.49 3pcf s LYS 110 Cb -0.04 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 3pcf s LYS 110 CO 0.08 -0.73 1.33 -1.25 -0.36 0.00 0.00 175.35 174.42 3pcf s PRO 111 N 3.50 2.98 0.75 4.03 0.04 -1.26 -4.18 135.00 140.85 3pcf s PRO 111 Ca 0.62 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.74 3pcf s PRO 111 Cb -0.27 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.23 3pcf s PRO 111 CO 0.22 -1.30 1.08 0.20 0.04 0.00 0.00 177.00 177.24 3pcf s GLY 112 N -1.11 1.68 0.03 0.56 0.00 0.07 -4.73 107.32 103.82 3pcf s GLY 112 Ca 0.75 -0.96 -0.24 0.00 0.00 0.00 0.00 44.72 44.27 3pcf s GLY 112 CO 0.45 -0.49 0.73 0.14 0.00 0.00 0.00 173.10 173.93 3pcf s VAL 113 N -3.37 4.79 0.15 1.40 1.01 -1.26 -4.34 120.40 118.78 3pcf s VAL 113 Ca 0.62 1.55 0.11 0.00 0.00 0.00 0.00 61.98 64.26 3pcf s VAL 113 Cb -0.10 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3pcf s VAL 113 CO 0.46 0.36 -0.25 0.68 0.00 0.00 0.00 175.10 176.36 3pcf s VAL 114 N -0.01 2.23 0.03 2.92 -7.23 -1.25 -4.55 120.40 112.55 3pcf s VAL 114 Ca 0.37 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.61 3pcf s VAL 114 Cb -0.20 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3pcf s VAL 114 CO 0.22 -0.02 0.31 0.20 -0.31 0.00 0.00 175.10 175.49 3pcf s ASN 115 N -2.31 6.53 1.08 4.85 -0.87 -1.26 0.24 114.94 123.20 3pcf s ASN 115 Ca 0.16 0.62 -0.18 0.00 -1.57 0.00 0.00 52.86 51.89 3pcf s ASN 115 Cb -0.09 -2.11 0.26 0.00 -0.02 0.00 0.00 41.25 39.28 3pcf s ASN 115 CO 0.07 0.22 1.27 0.54 -2.57 0.00 0.00 177.10 176.64 3pcf s ASN 116 N -1.75 2.01 0.48 -1.22 2.20 0.28 -4.82 114.94 112.13 3pcf s ASN 116 Ca 0.29 0.28 0.20 0.00 -0.94 0.00 0.00 52.86 52.69 3pcf s ASN 116 Cb -0.13 -0.29 1.22 0.00 -2.00 0.00 0.00 41.25 40.05 3pcf s ASN 116 CO 0.17 -3.42 1.99 0.00 -2.94 0.00 0.00 177.10 172.90 3pcf h ALA 117 N -2.11 2.26 -0.00 3.54 0.00 -2.00 0.33 119.26 121.28 3pcf h ALA 117 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pcf h ALA 117 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3pcf h ALA 117 CO 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 179.25 179.15 3pcf n ALA 118 N -2.58 2.67 -0.71 0.00 0.00 -1.26 -4.89 120.51 113.74 3pcf n ALA 118 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3pcf n ALA 118 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.04 0.62 3.65 0.00 0.00 0.10 -5.05 105.19 105.56 3pcf n GLY 119 Ca 0.23 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 5.30 0.37 1.61 1.01 -1.26 -4.79 120.40 120.64 3pcf s VAL 120 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 3pcf s VAL 120 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3pcf s VAL 120 CO 0.00 0.30 1.21 -2.16 0.00 0.00 0.00 175.10 174.44 3pcf s PRO 121 N 1.25 4.17 0.07 2.72 0.04 -1.26 0.10 135.00 142.09 3pcf s PRO 121 Ca 0.11 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.12 3pcf s PRO 121 Cb -0.14 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3pcf s PRO 121 CO 0.06 -0.25 0.14 -1.64 0.04 0.00 0.00 177.00 175.35 3pcf s MET 122 N -2.09 3.15 0.57 4.56 -1.94 0.14 -4.56 119.30 119.14 3pcf s MET 122 Ca 0.54 -0.57 -0.19 0.00 -1.71 0.00 0.00 55.69 53.76 3pcf s MET 122 Cb -0.34 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 3pcf s MET 122 CO 0.43 0.59 1.18 0.00 -0.01 0.00 0.00 175.02 177.22 3pcf s ALA 123 N -1.44 2.61 0.07 3.03 0.00 -1.26 -3.88 121.76 120.88 3pcf s ALA 123 Ca 0.32 0.96 -0.36 0.00 0.00 0.00 0.00 51.96 52.87 3pcf s ALA 123 Cb -0.13 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 3pcf s ALA 123 CO 0.25 -1.03 1.46 -2.30 0.00 0.00 0.00 175.76 174.14 3pcf n PRO 124 N -1.45 1.44 -3.80 0.00 -0.02 -1.26 -4.86 135.00 125.05 3pcf n PRO 124 Ca 0.13 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3pcf n PRO 124 Cb 0.50 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.00 0.05 -0.12 6.00 -3.43 -1.26 -4.31 115.29 113.23 3pcf s HIS 125 Ca 0.85 -0.41 0.03 0.00 -0.80 0.00 0.00 55.06 54.73 3pcf s HIS 125 Cb -0.88 0.16 0.01 0.00 -1.43 0.00 0.00 32.58 30.44 3pcf s HIS 125 CO 0.46 -0.76 -0.22 0.42 -2.00 0.00 0.00 174.74 172.65 3pcf s ILE 126 N -3.88 1.95 0.05 -5.38 1.01 -0.36 -4.60 121.20 109.99 3pcf s ILE 126 Ca 0.09 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3pcf s ILE 126 Cb 0.02 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3pcf s ILE 126 CO -0.05 0.53 0.91 0.20 0.00 0.00 0.00 174.94 176.52 3pcf s ASN 127 N 0.62 7.37 0.03 3.58 0.01 0.96 -0.52 114.94 126.99 3pcf s ASN 127 Ca -0.12 1.64 0.07 0.00 -0.71 0.00 0.00 52.86 53.73 3pcf s ASN 127 Cb -0.17 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3pcf s ASN 127 CO 0.03 -0.10 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.68 3pcf s ILE 128 N 0.32 1.61 -0.08 0.60 1.01 -0.12 -1.24 121.20 123.31 3pcf s ILE 128 Ca 0.46 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3pcf s ILE 128 Cb -0.22 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3pcf s ILE 128 CO 0.27 0.24 -0.17 -0.44 0.00 0.00 0.00 174.94 174.84 3pcf s SER 129 N -1.04 2.28 -0.08 3.58 0.01 -0.41 -1.03 113.70 117.02 3pcf s SER 129 Ca 0.07 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.97 3pcf s SER 129 Cb -0.09 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 3pcf s SER 129 CO 0.01 0.08 -0.18 -0.22 0.41 0.00 0.00 173.24 173.34 3pcf s LEU 130 N 0.55 2.48 0.13 2.44 2.96 -0.16 -1.35 118.68 125.73 3pcf s LEU 130 Ca -0.16 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3pcf s LEU 130 Cb -0.17 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3pcf s LEU 130 CO 0.06 0.25 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.81 3pcf s PHE 131 N -0.16 1.57 0.00 5.38 0.40 0.11 -2.02 117.98 123.26 3pcf s PHE 131 Ca -0.02 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3pcf s PHE 131 Cb -0.14 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.58 3pcf s PHE 131 CO 0.04 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.16 3pcf n ALA 132 N 0.60 0.00 -1.77 5.36 0.00 -1.26 -0.63 120.51 122.81 3pcf n ALA 132 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3pcf n ALA 132 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 3.83 0.00 0.00 1.70 -1.25 -2.09 118.95 119.13 3pcf s ARG 133 Ca 0.00 2.26 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 3pcf s ARG 133 Cb 0.00 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.68 3pcf s ARG 133 CO 0.00 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 173.99 3pcf n GLY 134 N 0.63 1.29 3.14 3.88 0.00 -1.26 -4.97 105.19 107.90 3pcf n GLY 134 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.04 2.96 0.18 -0.61 1.01 -0.89 -4.99 121.20 115.82 3pcf s ILE 135 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 60.65 58.90 3pcf s ILE 135 Cb 0.00 -2.82 0.08 0.00 0.01 0.00 0.00 42.46 39.72 3pcf s ILE 135 CO 0.00 -0.29 1.70 0.78 0.00 0.00 0.00 174.94 177.13 3pcf h ASN 136 N 7.96 0.92 -3.73 3.58 2.35 -1.89 -3.35 115.58 121.42 3pcf h ASN 136 Ca -0.17 -0.22 -0.41 0.00 -0.55 0.00 0.00 56.30 54.95 3pcf h ASN 136 Cb 1.05 -0.24 -0.31 0.00 0.05 0.00 0.00 38.32 38.87 3pcf h ASN 136 CO 0.57 0.89 -0.78 -0.51 -1.65 0.00 0.00 177.43 175.95 3pcf s ILE 137 N -5.36 0.68 0.72 2.81 2.07 -1.26 -2.90 121.20 117.95 3pcf s ILE 137 Ca -0.12 -0.28 -0.16 0.00 -1.41 0.00 0.00 60.65 58.67 3pcf s ILE 137 Cb 0.13 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3pcf s ILE 137 CO 0.82 0.22 1.24 -1.38 -1.91 0.00 0.00 174.94 173.94 3pcf s HIS 138 N 0.34 1.98 -0.16 3.50 -3.43 -1.26 -5.01 115.29 111.24 3pcf s HIS 138 Ca -0.05 1.58 -0.07 0.00 -0.80 0.00 0.00 55.06 55.71 3pcf s HIS 138 Cb -0.09 -3.57 -0.04 0.00 -1.43 0.00 0.00 32.58 27.44 3pcf s HIS 138 CO 0.00 -2.83 0.09 -0.51 -2.00 0.00 0.00 174.74 169.49 3pcf s LEU 139 N -5.00 4.01 -0.13 5.38 1.43 -0.86 -4.91 118.68 118.59 3pcf s LEU 139 Ca 0.77 0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 3pcf s LEU 139 Cb -0.33 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3pcf s LEU 139 CO 0.45 0.26 0.14 -1.00 0.23 0.00 0.00 176.35 176.42 3pcf s HIS 140 N -0.11 3.57 0.25 0.29 3.76 -1.26 -0.99 115.29 120.80 3pcf s HIS 140 Ca 0.08 0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 55.37 3pcf s HIS 140 Cb -0.12 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 3pcf s HIS 140 CO 0.01 0.68 0.46 -0.08 -0.85 0.00 0.00 174.74 174.95 3pcf s THR 141 N -0.84 0.00 0.08 1.30 -1.32 -0.19 -0.22 115.64 114.45 3pcf s THR 141 Ca 0.14 -1.45 0.08 0.00 -1.21 0.00 0.00 61.69 59.24 3pcf s THR 141 Cb -0.12 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 3pcf s THR 141 CO 0.03 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.11 3pcf s ARG 142 N -3.97 1.18 -0.15 7.08 0.52 -1.26 -0.94 118.95 121.41 3pcf s ARG 142 Ca 0.24 -1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3pcf s ARG 142 Cb -0.00 -1.37 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 3pcf s ARG 142 CO 0.10 0.33 -0.08 -1.17 0.02 0.00 0.00 175.30 174.50 3pcf s LEU 143 N -1.60 2.99 0.28 2.53 0.20 0.32 -4.76 118.68 118.64 3pcf s LEU 143 Ca 0.06 -0.23 0.12 0.00 0.69 0.00 0.00 54.13 54.76 3pcf s LEU 143 Cb -0.09 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 3pcf s LEU 143 CO 0.03 0.15 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.73 3pcf s TYR 144 N 0.45 2.29 -0.16 5.38 1.51 0.96 -1.23 117.35 126.56 3pcf s TYR 144 Ca -0.06 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 3pcf s TYR 144 Cb -0.15 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3pcf s TYR 144 CO 0.04 0.71 -0.03 -0.06 -1.11 0.00 0.00 175.55 175.10 3pcf s PHE 145 N -2.49 3.03 -0.60 2.71 0.08 -1.26 0.29 117.98 119.74 3pcf s PHE 145 Ca 0.30 -0.29 0.13 0.00 0.12 0.00 0.00 56.93 57.19 3pcf s PHE 145 Cb -0.05 -1.96 0.66 0.00 -0.57 0.00 0.00 43.02 41.09 3pcf s PHE 145 CO 0.15 -0.03 1.40 -0.40 -0.10 0.00 0.00 175.22 176.23 3pcf n ASP 146 N 3.53 0.31 -1.22 1.36 5.75 -0.18 -1.82 116.55 124.28 3pcf n ASP 146 Ca -0.17 0.63 0.06 0.00 -0.01 0.00 0.00 54.79 55.30 3pcf n ASP 146 Cb 0.52 -0.67 0.25 0.00 -1.03 0.00 0.00 41.12 40.19 3pcf n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3pcf n ASP 147 N -1.90 3.56 -1.92 -1.12 5.68 -1.26 -3.88 116.55 115.71 3pcf n ASP 147 Ca -0.00 -2.36 -0.05 0.00 -0.50 0.00 0.00 54.79 51.88 3pcf n ASP 147 Cb 0.05 -0.50 0.06 0.00 -1.14 0.00 0.00 41.12 39.60 3pcf n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcf n GLU 148 N 0.66 1.93 -0.28 0.11 -0.58 -0.75 -4.89 120.64 116.84 3pcf n GLU 148 Ca 0.18 -3.37 0.08 0.00 -0.42 0.00 0.00 57.16 53.62 3pcf n GLU 148 Cb 0.69 -1.50 0.20 0.00 -0.57 0.00 0.00 31.44 30.26 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 1.87 0.93 -0.32 0.62 0.00 -1.76 0.44 119.26 121.04 3pcf h ALA 149 Ca 0.02 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3pcf h ALA 149 Cb 1.42 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 3pcf h ALA 149 CO 0.31 -0.45 0.06 1.96 0.00 0.00 0.00 179.25 181.12 3pcf h GLN 150 N 0.11 0.16 -0.03 0.00 4.20 -1.94 -0.53 115.11 117.08 3pcf h GLN 150 Ca 0.47 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.16 3pcf h GLN 150 Cb 0.87 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 3pcf h GLN 150 CO -0.71 0.11 0.00 0.00 -0.67 0.00 0.00 178.83 177.55 3pcf h ALA 151 N 1.24 0.04 -0.87 3.87 0.00 -1.22 -3.09 119.26 119.22 3pcf h ALA 151 Ca 0.15 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.13 3pcf h ALA 151 Cb 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 3pcf h ALA 151 CO -0.20 -0.30 0.27 -0.91 0.00 0.00 0.00 179.25 178.10 3pcf h ASN 152 N -0.23 0.07 0.03 0.00 2.35 0.05 0.43 115.58 118.28 3pcf h ASN 152 Ca 0.01 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3pcf h ASN 152 Cb 0.31 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3pcf h ASN 152 CO 0.00 -0.12 -0.03 0.00 -1.65 0.00 0.00 177.43 175.63 3pcf h ALA 153 N 1.76 1.85 -0.04 -0.83 0.00 -1.02 -2.63 119.26 118.35 3pcf h ALA 153 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3pcf h ALA 153 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3pcf h ALA 153 CO -0.62 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.29 3pcf n LYS 154 N -4.36 2.20 -1.78 0.00 5.02 0.14 -4.92 118.16 114.47 3pcf n LYS 154 Ca -0.03 -1.88 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 3pcf n LYS 154 Cb 0.11 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 9.26 0.00 0.00 0.00 0.13 -1.92 -0.07 132.00 139.41 3pcf h PRO 156 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3pcf h PRO 156 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3pcf h PRO 156 CO 0.94 0.04 -0.43 0.28 -0.23 0.00 0.00 178.00 178.60 3pcf h VAL 157 N 0.00 0.91 -0.94 1.56 2.07 -1.95 -3.26 116.25 114.64 3pcf h VAL 157 Ca -0.00 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.79 3pcf h VAL 157 Cb 0.24 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3pcf h VAL 157 CO 0.01 0.31 0.58 0.25 0.02 0.00 0.00 177.57 178.74 3pcf h LEU 158 N -1.00 0.89 -1.06 2.57 5.85 -1.84 0.29 115.31 121.01 3pcf h LEU 158 Ca -0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3pcf h LEU 158 Cb 0.81 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3pcf h LEU 158 CO -0.06 0.53 0.00 0.59 -0.34 0.00 0.00 178.44 179.16 3pcf n ASN 159 N -4.61 0.57 0.12 1.25 3.02 -0.06 -0.69 115.26 114.86 3pcf n ASN 159 Ca 0.16 0.71 0.13 0.00 -0.03 0.00 0.00 54.58 55.54 3pcf n ASN 159 Cb 0.25 -0.81 0.42 0.00 -0.61 0.00 0.00 39.78 39.04 3pcf n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3pcf n LEU 160 N -2.21 0.82 -4.65 3.41 4.77 0.09 -4.68 117.00 114.55 3pcf n LEU 160 Ca 0.00 0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 3pcf n LEU 160 Cb 0.11 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3pcf n LEU 160 CO 0.13 -0.29 0.79 -0.63 -1.33 0.00 0.00 177.39 176.07 3pcf s ILE 161 N -3.16 4.75 0.10 -0.08 1.01 0.13 -4.96 121.20 118.98 3pcf s ILE 161 Ca 0.09 1.78 -0.28 0.00 0.00 0.00 0.00 60.65 62.25 3pcf s ILE 161 Cb 0.11 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 3pcf s ILE 161 CO 0.55 -0.15 1.45 -0.33 0.00 0.00 0.00 174.94 176.47 3pcf h GLU 162 N 7.60 -0.41 -5.36 2.79 5.08 -1.87 -3.40 114.58 119.01 3pcf h GLU 162 Ca -0.21 0.03 -0.62 0.00 -1.00 0.00 0.00 59.36 57.55 3pcf h GLU 162 Cb 1.08 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 3pcf h GLU 162 CO 0.93 -0.27 0.01 -0.65 -1.00 0.00 0.00 179.01 178.03 3pcf s GLN 163 N -5.21 3.93 0.47 2.33 -1.52 -1.26 -4.97 119.66 113.44 3pcf s GLN 163 Ca -0.12 0.21 0.27 0.00 -1.95 0.00 0.00 55.36 53.77 3pcf s GLN 163 Cb 0.06 -3.70 1.32 0.00 -0.22 0.00 0.00 33.01 30.47 3pcf s GLN 163 CO 0.50 -0.47 1.79 -1.35 -0.25 0.00 0.00 175.29 175.52 3pcf h PRO 164 N 8.16 0.19 -0.85 2.91 0.11 -1.98 0.14 132.00 140.67 3pcf h PRO 164 Ca -0.28 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.88 3pcf h PRO 164 Cb 1.13 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3pcf h PRO 164 CO 0.75 0.13 0.56 1.96 -0.21 0.00 0.00 178.00 181.18 3pcf h GLN 165 N 0.20 0.93 0.00 1.05 7.50 -1.95 -2.47 115.11 120.36 3pcf h GLN 165 Ca 0.57 -0.06 -0.12 0.00 0.50 0.00 0.00 58.65 59.54 3pcf h GLN 165 Cb 1.84 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 29.14 3pcf h GLN 165 CO -0.16 0.61 -0.59 0.00 -1.50 0.00 0.00 178.83 177.20 3pcf h ARG 166 N 0.96 0.00 -0.69 1.46 3.08 -1.36 -3.16 114.38 114.67 3pcf h ARG 166 Ca 0.37 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.46 3pcf h ARG 166 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3pcf h ARG 166 CO -0.13 0.59 0.46 0.00 -1.07 0.00 0.00 179.97 179.81 3pcf h ARG 167 N 0.00 0.76 -0.88 0.04 3.08 -1.51 -1.49 114.38 114.37 3pcf h ARG 167 Ca -0.01 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.15 3pcf h ARG 167 Cb 1.11 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.92 3pcf h ARG 167 CO 0.08 0.50 0.57 0.93 -1.07 0.00 0.00 179.97 180.98 3pcf h GLU 168 N 0.78 0.62 0.00 0.04 5.08 -1.59 -0.78 114.58 118.72 3pcf h GLU 168 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3pcf h GLU 168 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3pcf h GLU 168 CO -0.09 0.41 0.00 1.79 -1.00 0.00 0.00 179.01 180.12 3pcf h THR 169 N 0.64 0.00 -0.02 1.13 1.35 -1.42 -2.59 112.91 111.99 3pcf h THR 169 Ca 0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3pcf h THR 169 Cb 0.78 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3pcf h THR 169 CO -0.20 0.00 -0.07 0.18 -0.25 0.00 0.00 175.52 175.18 3pcf n LEU 170 N -2.84 2.00 -4.61 3.87 4.77 -0.30 -4.81 117.00 115.08 3pcf n LEU 170 Ca -0.02 -0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 54.91 3pcf n LEU 170 Cb 0.09 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3pcf n LEU 170 CO 0.18 0.34 -0.04 -0.63 -1.33 0.00 0.00 177.39 175.91 3pcf s ILE 171 N -2.10 5.25 0.21 -0.08 1.01 -0.98 -0.02 121.20 124.48 3pcf s ILE 171 Ca 0.31 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3pcf s ILE 171 Cb 0.20 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 3pcf s ILE 171 CO 0.36 0.22 0.99 0.00 0.00 0.00 0.00 174.94 176.51 3pcf s ALA 172 N 1.75 3.33 -0.28 9.38 0.00 0.85 -4.83 121.76 131.96 3pcf s ALA 172 Ca 0.12 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 3pcf s ALA 172 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3pcf s ALA 172 CO 0.09 0.05 0.38 0.15 0.00 0.00 0.00 175.76 176.44 3pcf s LYS 173 N -0.82 3.94 0.31 0.00 1.02 -0.92 -1.01 119.74 122.26 3pcf s LYS 173 Ca 0.44 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 3pcf s LYS 173 Cb -0.27 -3.68 -0.10 0.00 -0.52 0.00 0.00 37.83 33.26 3pcf s LYS 173 CO 0.33 -0.33 1.31 0.50 -0.92 0.00 0.00 175.35 176.24 3pcf s ARG 174 N 2.09 4.37 0.16 1.68 3.52 -1.26 -0.98 118.95 128.52 3pcf s ARG 174 Ca 0.15 2.19 -0.03 0.00 -0.13 0.00 0.00 55.73 57.90 3pcf s ARG 174 Cb -0.16 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3pcf s ARG 174 CO 0.10 -0.19 0.27 0.00 -0.81 0.00 0.00 175.30 174.67 3pcf s GLU 176 N -2.22 0.70 -0.10 0.00 2.12 -1.26 -0.64 118.70 117.29 3pcf s GLU 176 Ca 0.10 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 3pcf s GLU 176 Cb -0.01 -0.66 0.03 0.00 0.26 0.00 0.00 34.13 33.76 3pcf s GLU 176 CO 0.07 0.17 -0.02 0.08 -0.54 0.00 0.00 175.26 175.03 3pcf s VAL 177 N -0.44 0.63 -1.41 3.70 1.01 0.22 -4.78 120.40 119.34 3pcf s VAL 177 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 3pcf s VAL 177 Cb -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.57 3pcf s VAL 177 CO 0.00 0.23 0.81 0.47 0.00 0.00 0.00 175.10 176.60 3pcf n ASP 178 N 5.06 -2.68 -1.19 3.32 8.00 -1.26 0.11 116.55 127.91 3pcf n ASP 178 Ca -0.09 -0.81 -0.16 0.00 0.71 0.00 0.00 54.79 54.44 3pcf n ASP 178 Cb 0.49 -3.94 -0.07 0.00 -0.02 0.00 0.00 41.12 37.58 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 -1.65 1.52 3.62 0.44 0.00 -1.26 -4.96 105.19 102.90 3pcf n GLY 179 Ca -0.16 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.29 2.74 -0.08 1.61 2.20 0.30 -5.07 119.74 118.15 3pcf s LYS 180 Ca 0.00 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 3pcf s LYS 180 Cb 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 3pcf s LYS 180 CO 0.00 0.65 1.65 0.99 -0.36 0.00 0.00 175.35 178.28 3pcf s THR 181 N -0.92 3.60 0.19 3.43 2.01 -1.26 0.72 115.64 123.41 3pcf s THR 181 Ca 0.15 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.89 3pcf s THR 181 Cb -0.11 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 3pcf s THR 181 CO 0.05 -0.10 -0.01 0.00 -0.69 0.00 0.00 174.62 173.87 3pcf s ALA 182 N 4.29 1.55 -0.02 7.40 0.00 0.18 -1.37 121.76 133.79 3pcf s ALA 182 Ca 0.73 -1.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3pcf s ALA 182 Cb -0.32 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3pcf s ALA 182 CO 0.29 -0.27 0.03 0.71 0.00 0.00 0.00 175.76 176.52 3pcf s TYR 183 N -3.53 0.01 -0.19 0.00 1.51 -0.29 -0.47 117.35 114.38 3pcf s TYR 183 Ca 0.25 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.36 3pcf s TYR 183 Cb 0.06 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.72 3pcf s TYR 183 CO 0.06 -0.07 0.05 0.50 -1.11 0.00 0.00 175.55 174.97 3pcf s ARG 184 N 0.74 3.83 -0.26 -0.62 3.52 -0.15 -2.10 118.95 123.92 3pcf s ARG 184 Ca -0.06 -0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3pcf s ARG 184 Cb -0.09 -3.18 0.08 0.00 -1.56 0.00 0.00 34.95 30.20 3pcf s ARG 184 CO -0.02 0.15 0.04 0.12 -0.81 0.00 0.00 175.30 174.77 3pcf s PHE 185 N 0.69 1.86 0.08 5.12 5.36 -0.06 -2.15 117.98 128.88 3pcf s PHE 185 Ca 0.02 -1.60 -0.09 0.00 -0.96 0.00 0.00 56.93 54.31 3pcf s PHE 185 Cb -0.13 -1.58 -0.06 0.00 -0.34 0.00 0.00 43.02 40.91 3pcf s PHE 185 CO 0.02 -0.78 0.37 -0.51 -1.46 0.00 0.00 175.22 172.86 3pcf s ASP 186 N 1.57 6.59 -0.10 6.13 1.01 -1.26 -3.98 116.67 126.64 3pcf s ASP 186 Ca 0.03 0.72 0.03 0.00 0.71 0.00 0.00 52.55 54.04 3pcf s ASP 186 Cb -0.18 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 3pcf s ASP 186 CO -0.14 0.17 -0.20 -0.63 0.21 0.00 0.00 175.17 174.58 3pcf s ILE 187 N -1.42 2.46 -0.32 0.77 1.01 0.14 -4.95 121.20 118.89 3pcf s ILE 187 Ca 0.33 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3pcf s ILE 187 Cb -0.14 -1.97 0.07 0.00 0.01 0.00 0.00 42.46 40.43 3pcf s ILE 187 CO 0.19 0.55 0.03 -0.13 0.00 0.00 0.00 174.94 175.57 3pcf s ARG 188 N 0.24 2.22 0.20 2.79 0.52 -1.26 0.14 118.95 123.80 3pcf s ARG 188 Ca -0.13 -1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 53.54 3pcf s ARG 188 Cb -0.16 -3.21 0.12 0.00 0.52 0.00 0.00 34.95 32.21 3pcf s ARG 188 CO 0.07 -0.73 1.74 0.82 0.02 0.00 0.00 175.30 177.22 3pcf h ILE 189 N 6.51 1.25 -3.46 1.52 2.04 -1.40 0.26 117.51 124.24 3pcf h ILE 189 Ca -0.17 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.72 3pcf h ILE 189 Cb 1.05 0.47 -0.18 0.00 -0.74 0.00 0.00 36.82 37.42 3pcf h ILE 189 CO 0.55 0.33 -0.39 -1.58 0.00 0.00 0.00 178.15 177.06 3pcf s GLN 190 N -5.46 0.65 2.68 2.37 0.74 -1.26 -4.68 119.66 114.69 3pcf s GLN 190 Ca -0.12 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.77 3pcf s GLN 190 Cb 0.14 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3pcf s GLN 190 CO 0.83 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 3pcf n GLY 191 N 0.93 -0.18 3.56 2.59 0.00 -1.26 -4.24 105.19 106.60 3pcf n GLY 191 Ca -0.20 -1.20 -0.56 0.00 0.00 0.00 0.00 46.02 44.07 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 2.15 0.98 -2.67 1.61 2.13 -1.26 -0.11 120.64 123.46 3pcf n GLU 192 Ca 0.00 0.32 -0.15 0.00 0.66 0.00 0.00 57.16 57.99 3pcf n GLU 192 Cb 0.00 -2.15 0.02 0.00 0.27 0.00 0.00 31.44 29.58 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 5.41 -0.15 3.64 8.31 0.00 -1.26 -4.94 105.19 116.20 3pcf n GLY 193 Ca 0.35 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.85 1.72 -2.34 1.61 2.13 0.84 -4.67 120.64 117.09 3pcf n GLU 194 Ca -0.10 0.61 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 3pcf n GLU 194 Cb 0.59 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.06 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 -0.08 3.24 0.08 6.31 2.01 0.93 -4.94 115.64 123.18 3pcf s THR 195 Ca 0.70 1.09 -0.31 0.00 0.31 0.00 0.00 61.69 63.49 3pcf s THR 195 Cb -0.72 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.08 3pcf s THR 195 CO 0.50 0.15 1.46 -0.69 -0.69 0.00 0.00 174.62 175.34 3pcf s VAL 196 N -1.36 3.29 -0.07 3.82 1.01 -1.26 -4.94 120.40 120.89 3pcf s VAL 196 Ca 0.54 0.85 0.05 0.00 0.00 0.00 0.00 61.98 63.41 3pcf s VAL 196 Cb -0.31 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3pcf s VAL 196 CO 0.39 0.04 -0.22 -0.36 0.00 0.00 0.00 175.10 174.95 3pcf s PHE 197 N 1.71 2.53 0.27 5.22 0.08 -1.26 -4.68 117.98 121.85 3pcf s PHE 197 Ca 0.67 -0.69 0.07 0.00 0.12 0.00 0.00 56.93 57.09 3pcf s PHE 197 Cb -0.37 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3pcf s PHE 197 CO 0.30 -0.20 0.26 -0.06 -0.10 0.00 0.00 175.22 175.42 3pcf s PHE 198 N -0.10 3.16 -0.06 0.36 0.08 0.70 -4.98 117.98 117.13 3pcf s PHE 198 Ca -0.05 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.90 3pcf s PHE 198 Cb -0.14 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3pcf s PHE 198 CO 0.04 0.43 -0.11 0.34 -0.10 0.00 0.00 175.22 175.82 3pcf s ASP 199 N -3.91 1.65 0.00 1.36 2.15 -1.26 -4.20 116.67 112.45 3pcf s ASP 199 Ca 0.35 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.06 3pcf s ASP 199 Cb -0.08 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 3pcf s ASP 199 CO 0.26 0.02 0.00 2.22 -0.17 0.00 0.00 175.17 177.50