#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgf s VAL 17 N 0.00 5.32 -0.54 1.39 -7.23 -0.12 -4.25 120.40 114.96 1sgf s VAL 17 Ca 0.00 0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1sgf s VAL 17 Cb 0.00 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.38 1sgf s VAL 17 CO 0.00 0.52 0.06 0.61 -0.31 0.00 0.00 175.10 175.98 1sgf n GLY 18 N 2.55 0.16 0.12 2.32 0.00 -1.21 -2.32 105.19 106.80 1sgf n GLY 18 Ca -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1sgf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgf n GLY 19 N -1.00 3.54 3.41 -0.02 0.00 -1.26 -4.80 105.19 105.05 1sgf n GLY 19 Ca -0.07 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 1sgf n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sgf s PHE 20 N -0.51 2.00 0.22 1.61 -0.71 0.21 -4.92 117.98 115.88 1sgf s PHE 20 Ca 0.01 -0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 55.14 1sgf s PHE 20 Cb -0.00 -0.90 -0.09 0.00 -1.21 0.00 0.00 43.02 40.82 1sgf s PHE 20 CO 0.00 0.53 1.22 0.15 -1.34 0.00 0.00 175.22 175.79 1sgf s LYS 21 N -3.58 4.47 0.42 1.99 1.02 -1.26 -0.25 119.74 122.54 1sgf s LYS 21 Ca 0.26 1.95 -0.24 0.00 0.02 0.00 0.00 55.97 57.97 1sgf s LYS 21 Cb -0.03 -3.20 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 1sgf s LYS 21 CO 0.11 -0.10 1.09 0.00 -0.92 0.00 0.00 175.35 175.53 1sgf n GLU 23 N -0.22 1.59 -0.10 0.00 -0.58 -1.26 -4.85 120.64 115.22 1sgf n GLU 23 Ca 0.06 0.59 -0.01 0.00 -0.42 0.00 0.00 57.16 57.38 1sgf n GLU 23 Cb 0.49 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 1sgf n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1sgf n LYS 24 N -0.97 -0.07 -2.91 3.49 4.81 -1.26 -1.32 118.16 119.92 1sgf n LYS 24 Ca 0.11 0.40 -0.15 0.00 -0.87 0.00 0.00 58.31 57.79 1sgf n LYS 24 Cb 0.45 -0.59 -0.00 0.00 0.02 0.00 0.00 35.03 34.90 1sgf n LYS 24 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1sgf n ASN 25 N -4.37 1.52 0.02 3.14 4.13 -1.26 -4.84 115.26 113.60 1sgf n ASN 25 Ca 0.02 -2.96 -0.07 0.00 1.68 0.00 0.00 54.58 53.25 1sgf n ASN 25 Cb 0.10 -0.57 -0.12 0.00 -1.54 0.00 0.00 39.78 37.65 1sgf n ASN 25 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1sgf h SER 26 N 2.98 0.00 -3.11 6.41 4.64 -1.55 -3.41 113.55 119.50 1sgf h SER 26 Ca 0.03 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.71 1sgf h SER 26 Cb 1.03 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.71 1sgf h SER 26 CO 0.54 0.94 -0.49 0.00 -0.87 0.00 0.00 176.83 176.94 1sgf n GLN 27 N -3.15 1.98 0.26 4.77 1.13 -1.26 -4.90 117.38 116.21 1sgf n GLN 27 Ca -0.09 -4.50 0.15 0.00 -1.94 0.00 0.00 57.00 50.62 1sgf n GLN 27 Cb 0.98 -2.31 0.51 0.00 0.11 0.00 0.00 30.24 29.53 1sgf n GLN 27 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1sgf h PRO 28 N 5.45 0.00 0.00 -1.09 0.11 -1.83 -2.73 132.00 131.91 1sgf h PRO 28 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1sgf h PRO 28 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1sgf h PRO 28 CO 0.74 0.03 0.00 -2.67 -0.21 0.00 0.00 178.00 175.89 1sgf n TRP 29 N -3.12 0.30 -2.36 0.65 2.14 -1.20 -4.00 117.44 109.85 1sgf n TRP 29 Ca 0.02 0.10 -0.42 0.00 2.07 0.00 0.00 57.50 59.27 1sgf n TRP 29 Cb 0.39 -0.66 -0.03 0.00 -0.81 0.00 0.00 31.31 30.19 1sgf n TRP 29 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1sgf s HIS 30 N -3.06 3.40 0.05 -2.67 2.46 -1.03 -0.61 115.29 113.82 1sgf s HIS 30 Ca 0.10 1.27 0.06 0.00 0.47 0.00 0.00 55.06 56.96 1sgf s HIS 30 Cb 0.14 -3.47 -0.02 0.00 -0.13 0.00 0.00 32.58 29.09 1sgf s HIS 30 CO 0.45 -1.46 -0.18 0.08 -2.47 0.00 0.00 174.74 171.17 1sgf s VAL 31 N 0.77 1.42 -0.30 0.89 1.01 0.13 -4.15 120.40 120.17 1sgf s VAL 31 Ca 0.58 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1sgf s VAL 31 Cb -0.32 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1sgf s VAL 31 CO 0.31 0.10 0.04 0.00 0.00 0.00 0.00 175.10 175.55 1sgf s ALA 32 N -0.85 2.94 -0.21 5.51 0.00 -1.16 -1.07 121.76 126.92 1sgf s ALA 32 Ca 0.05 -1.58 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1sgf s ALA 32 Cb -0.08 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1sgf s ALA 32 CO 0.02 -1.06 0.63 0.08 0.00 0.00 0.00 175.76 175.43 1sgf s VAL 33 N 1.40 5.01 0.34 0.00 1.01 0.77 -1.86 120.40 127.07 1sgf s VAL 33 Ca -0.00 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1sgf s VAL 33 Cb -0.18 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1sgf s VAL 33 CO 0.00 0.10 0.17 -0.31 0.00 0.00 0.00 175.10 175.06 1sgf s TYR 34 N 2.01 2.74 -0.37 5.22 1.51 0.05 -1.23 117.35 127.28 1sgf s TYR 34 Ca 0.28 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1sgf s TYR 34 Cb -0.16 -1.67 0.11 0.00 -0.11 0.00 0.00 41.96 40.13 1sgf s TYR 34 CO 0.10 0.31 0.14 0.50 -1.11 0.00 0.00 175.55 175.49 1sgf s ARG 35 N -3.87 1.10 3.53 -0.62 3.00 0.08 -0.51 118.95 121.64 1sgf s ARG 35 Ca 0.38 -1.60 0.00 0.00 -1.00 0.00 0.00 55.73 53.51 1sgf s ARG 35 Cb -0.03 -2.38 0.00 0.00 0.00 0.00 0.00 34.95 32.54 1sgf s ARG 35 CO 0.23 -1.04 0.00 0.66 0.00 0.00 0.00 175.30 175.15 1sgf n TYR 36 N 4.22 0.00 0.42 5.12 4.01 -1.26 -1.66 117.16 128.01 1sgf n TYR 36 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1sgf n TYR 36 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1sgf n TYR 36 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1sgf n THR 38 N 0.00 0.00 -4.22 -0.72 -1.04 -1.26 -4.90 114.28 102.14 1sgf n THR 38 Ca 0.00 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.05 61.31 1sgf n THR 38 Cb 0.00 1.06 -0.09 0.00 -1.82 0.00 0.00 70.33 69.48 1sgf n THR 38 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1sgf s GLN 39 N -1.57 3.16 0.45 -2.82 -0.21 -0.67 -5.09 119.66 112.91 1sgf s GLN 39 Ca 0.06 -0.33 -0.25 0.00 0.02 0.00 0.00 55.36 54.86 1sgf s GLN 39 Cb 0.07 -2.92 -0.08 0.00 1.00 0.00 0.00 33.01 31.08 1sgf s GLN 39 CO 0.30 0.70 1.37 -0.47 -2.12 0.00 0.00 175.29 175.08 1sgf s TYR 40 N -0.86 2.54 0.00 0.91 6.14 -1.26 -0.74 117.35 124.07 1sgf s TYR 40 Ca 0.13 1.33 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1sgf s TYR 40 Cb -0.12 -3.81 0.00 0.00 0.42 0.00 0.00 41.96 38.45 1sgf s TYR 40 CO 0.03 -2.64 0.00 -0.11 0.64 0.00 0.00 175.55 173.46 1sgf n LEU 41 N -0.26 0.36 0.00 6.97 7.94 -0.36 -4.81 117.00 126.84 1sgf n LEU 41 Ca 0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1sgf n LEU 41 Cb 0.43 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.40 1sgf n LEU 41 CO 0.56 -0.11 0.79 0.00 -1.11 0.00 0.00 177.39 177.52 1sgf s GLY 43 N -3.41 2.19 -0.05 0.00 0.00 0.12 -0.16 107.32 106.02 1sgf s GLY 43 Ca 0.22 -1.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.14 1sgf s GLY 43 CO 0.06 -1.88 1.27 -0.32 0.00 0.00 0.00 173.10 172.23 1sgf s GLY 44 N -4.40 -0.39 0.03 0.20 0.00 -0.23 -3.93 107.32 98.61 1sgf s GLY 44 Ca 0.42 0.86 0.06 0.00 0.00 0.00 0.00 44.72 46.05 1sgf s GLY 44 CO 0.26 0.20 -0.13 -1.34 0.00 0.00 0.00 173.10 172.09 1sgf s VAL 45 N -2.44 3.20 -0.31 1.40 -7.23 -0.11 0.17 120.40 115.08 1sgf s VAL 45 Ca 0.13 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.08 1sgf s VAL 45 Cb 0.04 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1sgf s VAL 45 CO -0.04 0.33 0.53 -0.22 -0.31 0.00 0.00 175.10 175.39 1sgf s LEU 46 N -1.53 4.21 -0.19 1.32 2.96 0.23 -0.53 118.68 125.15 1sgf s LEU 46 Ca 0.16 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1sgf s LEU 46 Cb -0.11 -2.64 -0.22 0.00 0.50 0.00 0.00 46.19 43.73 1sgf s LEU 46 CO 0.07 -0.41 0.07 0.18 -1.32 0.00 0.00 176.35 174.94 1sgf n LEU 47 N 5.70 2.70 -3.89 -0.68 4.77 -0.54 -1.61 117.00 123.46 1sgf n LEU 47 Ca -0.04 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1sgf n LEU 47 Cb 0.49 -0.95 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 1sgf n LEU 47 CO 0.44 0.88 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.60 1sgf s ASP 48 N -6.72 0.12 0.43 -1.43 2.15 -0.97 -4.47 116.67 105.77 1sgf s ASP 48 Ca -0.28 -0.49 0.20 0.00 0.43 0.00 0.00 52.55 52.42 1sgf s ASP 48 Cb 0.08 0.27 1.16 0.00 -0.30 0.00 0.00 42.92 44.12 1sgf s ASP 48 CO 0.69 -0.56 1.82 -0.65 -0.17 0.00 0.00 175.17 176.30 1sgf h PRO 49 N 3.45 0.33 0.00 4.34 0.11 -1.95 -0.19 132.00 138.09 1sgf h PRO 49 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sgf h PRO 49 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sgf h PRO 49 CO 0.51 0.22 -0.94 0.09 -0.21 0.00 0.00 178.00 177.66 1sgf n ASN 50 N -4.51 0.70 -4.36 -2.05 5.03 -1.26 -0.60 115.26 108.21 1sgf n ASN 50 Ca 0.22 0.11 -0.32 0.00 0.87 0.00 0.00 54.58 55.46 1sgf n ASN 50 Cb 0.83 0.53 -0.15 0.00 -1.02 0.00 0.00 39.78 39.96 1sgf n ASN 50 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1sgf s TRP 51 N -3.27 2.48 0.03 3.10 0.52 -0.08 -0.34 118.94 121.38 1sgf s TRP 51 Ca 0.02 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.81 1sgf s TRP 51 Cb 0.12 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1sgf s TRP 51 CO 0.78 0.01 -0.17 0.08 0.02 0.00 0.00 176.95 177.67 1sgf s VAL 52 N -0.56 1.33 -0.07 4.03 1.01 -0.40 -1.46 120.40 124.28 1sgf s VAL 52 Ca 0.08 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1sgf s VAL 52 Cb -0.11 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1sgf s VAL 52 CO 0.00 0.12 -0.24 -0.22 0.00 0.00 0.00 175.10 174.77 1sgf s LEU 53 N -1.06 2.05 0.00 3.92 2.96 0.31 -0.39 118.68 126.47 1sgf s LEU 53 Ca 0.04 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1sgf s LEU 53 Cb -0.08 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1sgf s LEU 53 CO 0.01 0.20 0.00 1.07 -1.32 0.00 0.00 176.35 176.31 1sgf n THR 54 N 3.22 0.00 -3.88 3.68 5.66 -0.53 -0.93 114.28 121.50 1sgf n THR 54 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 1sgf n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 1sgf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgf s ALA 55 N -1.93 3.90 0.39 1.79 0.00 -1.26 -1.75 121.76 122.89 1sgf s ALA 55 Ca 0.00 -0.67 0.15 0.00 0.00 0.00 0.00 51.96 51.44 1sgf s ALA 55 Cb 0.00 -1.95 1.01 0.00 0.00 0.00 0.00 23.12 22.18 1sgf s ALA 55 CO 0.00 0.66 1.82 0.00 0.00 0.00 0.00 175.76 178.23 1sgf h ALA 56 N 4.61 2.10 0.00 0.00 0.00 -1.75 -1.46 119.26 122.77 1sgf h ALA 56 Ca -0.53 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sgf h ALA 56 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sgf h ALA 56 CO 0.61 -0.43 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 1sgf n HIS 57 N -4.59 0.00 -0.07 0.00 1.44 -1.26 -2.45 115.22 108.28 1sgf n HIS 57 Ca 0.22 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.04 1sgf n HIS 57 Cb 0.71 0.00 0.29 0.00 0.12 0.00 0.00 29.99 31.12 1sgf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgf n TYR 59 N 1.45 1.93 -4.14 0.00 9.36 -1.03 -4.94 117.16 119.79 1sgf n TYR 59 Ca 0.22 -0.02 -0.09 0.00 3.32 0.00 0.00 57.90 61.33 1sgf n TYR 59 Cb 0.57 -2.67 -0.03 0.00 -0.63 0.00 0.00 39.34 36.57 1sgf n TYR 59 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1sgf n ASP 60 N 10.51 0.10 -1.14 2.98 -0.08 -1.26 -5.07 116.55 122.60 1sgf n ASP 60 Ca 0.32 -1.90 0.06 0.00 -1.51 0.00 0.00 54.79 51.77 1sgf n ASP 60 Cb 0.37 0.61 0.24 0.00 2.34 0.00 0.00 41.12 44.68 1sgf n ASP 60 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1sgf n ASP 61 N -2.28 3.30 -3.64 1.67 5.68 -1.26 -4.90 116.55 115.12 1sgf n ASP 61 Ca 0.02 -2.28 -0.08 0.00 -0.50 0.00 0.00 54.79 51.95 1sgf n ASP 61 Cb 0.25 -0.46 -0.07 0.00 -1.14 0.00 0.00 41.12 39.70 1sgf n ASP 61 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1sgf s ASN 63 N -0.77 -0.38 -0.08 -1.12 2.47 -1.26 -5.10 114.94 108.69 1sgf s ASN 63 Ca 0.34 0.73 -0.01 0.00 0.42 0.00 0.00 52.86 54.33 1sgf s ASN 63 Cb 0.22 0.76 0.03 0.00 -1.45 0.00 0.00 41.25 40.80 1sgf s ASN 63 CO 0.17 -0.12 -0.01 -0.31 -3.72 0.00 0.00 177.10 173.10 1sgf s TYR 64 N 0.24 0.82 0.24 0.43 2.02 -1.26 -4.28 117.35 115.56 1sgf s TYR 64 Ca 0.03 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1sgf s TYR 64 Cb -0.05 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1sgf s TYR 64 CO -0.08 -0.37 0.22 0.15 -1.57 0.00 0.00 175.55 173.90 1sgf s LYS 65 N 1.92 3.04 -0.05 -0.62 1.02 0.33 -2.91 119.74 122.47 1sgf s LYS 65 Ca 0.05 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1sgf s LYS 65 Cb -0.12 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1sgf s LYS 65 CO -0.06 0.42 -0.02 0.08 -0.92 0.00 0.00 175.35 174.85 1sgf s VAL 66 N -2.06 0.38 -0.35 3.17 1.01 -0.48 -0.77 120.40 121.30 1sgf s VAL 66 Ca 0.33 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1sgf s VAL 66 Cb -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1sgf s VAL 66 CO 0.26 0.21 0.19 0.86 0.00 0.00 0.00 175.10 176.62 1sgf s TRP 67 N 1.23 3.21 -0.12 5.22 -0.11 -0.78 -1.23 118.94 126.37 1sgf s TRP 67 Ca -0.06 -0.69 -0.10 0.00 1.22 0.00 0.00 56.10 56.47 1sgf s TRP 67 Cb -0.14 -2.42 -0.05 0.00 -1.50 0.00 0.00 33.47 29.37 1sgf s TRP 67 CO -0.02 -0.53 0.21 -0.51 -4.62 0.00 0.00 176.95 171.48 1sgf s LEU 68 N 1.61 4.35 -0.70 5.86 1.43 -0.40 -3.00 118.68 127.82 1sgf s LEU 68 Ca 0.04 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1sgf s LEU 68 Cb -0.18 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1sgf s LEU 68 CO 0.07 0.31 0.59 0.61 0.23 0.00 0.00 176.35 178.15 1sgf n GLY 69 N 2.43 -0.01 3.58 -3.19 0.00 -1.26 -1.43 105.19 105.31 1sgf n GLY 69 Ca -0.17 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1sgf n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgf s LYS 70 N -4.86 2.11 0.00 1.61 -0.14 -1.26 -4.08 119.74 113.12 1sgf s LYS 70 Ca 0.03 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 1sgf s LYS 70 Cb -0.01 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 1sgf s LYS 70 CO 0.42 0.44 0.00 0.09 -0.76 0.00 0.00 175.35 175.55 1sgf n ASN 71 N 0.08 1.06 -4.01 2.83 3.02 -1.26 -4.93 115.26 112.06 1sgf n ASN 71 Ca -0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.13 1sgf n ASN 71 Cb 0.55 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.56 1sgf n ASN 71 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1sgf s ASN 72 N -4.60 3.52 0.13 6.41 3.84 -1.26 -1.16 114.94 121.82 1sgf s ASN 72 Ca 0.00 -0.94 0.09 0.00 0.21 0.00 0.00 52.86 52.22 1sgf s ASN 72 Cb 0.00 -1.28 0.49 0.00 -0.55 0.00 0.00 41.25 39.90 1sgf s ASN 72 CO 0.00 -0.15 1.28 0.18 -2.79 0.00 0.00 177.10 175.62 1sgf n LEU 73 N 4.65 0.23 -0.63 3.21 4.77 -0.49 -2.74 117.00 126.00 1sgf n LEU 73 Ca -0.15 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 1sgf n LEU 73 Cb 0.46 -0.63 0.20 0.00 -2.33 0.00 0.00 43.42 41.12 1sgf n LEU 73 CO 0.20 -0.67 0.61 0.49 -1.33 0.00 0.00 177.39 176.69 1sgf n PHE 74 N -1.80 0.51 -4.49 -1.77 3.01 -1.26 -5.03 117.46 106.63 1sgf n PHE 74 Ca -0.00 -1.17 -0.24 0.00 1.01 0.00 0.00 57.45 57.05 1sgf n PHE 74 Cb 0.02 -0.29 -0.11 0.00 -0.01 0.00 0.00 39.48 39.10 1sgf n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1sgf s LYS 75 N -3.00 1.70 -0.44 -1.08 1.02 -1.11 -5.11 119.74 111.73 1sgf s LYS 75 Ca 0.39 -1.90 -0.26 0.00 0.02 0.00 0.00 55.97 54.22 1sgf s LYS 75 Cb 0.34 -1.31 0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1sgf s LYS 75 CO 0.02 0.01 0.98 -0.51 -0.92 0.00 0.00 175.35 174.93 1sgf s ASP 77 N -3.53 6.59 -0.33 2.83 1.11 -1.26 -4.98 116.67 117.09 1sgf s ASP 77 Ca 0.32 0.34 -0.00 0.00 0.18 0.00 0.00 52.55 53.39 1sgf s ASP 77 Cb 0.05 -2.48 0.11 0.00 1.07 0.00 0.00 42.92 41.67 1sgf s ASP 77 CO 0.15 -1.04 0.12 -1.61 1.18 0.00 0.00 175.17 173.96 1sgf s GLU 78 N 3.83 0.80 0.49 8.23 2.02 -1.26 -4.97 118.70 127.85 1sgf s GLU 78 Ca 0.40 -1.22 0.26 0.00 0.02 0.00 0.00 54.97 54.43 1sgf s GLU 78 Cb -0.10 -2.04 1.25 0.00 0.10 0.00 0.00 34.13 33.35 1sgf s GLU 78 CO 0.25 -1.02 1.98 -1.35 0.02 0.00 0.00 175.26 175.14 1sgf h PRO 79 N 7.86 0.00 0.00 0.39 0.11 -1.96 -2.03 132.00 136.36 1sgf h PRO 79 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1sgf h PRO 79 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sgf h PRO 79 CO 0.47 0.16 -0.04 0.77 -0.21 0.00 0.00 178.00 179.15 1sgf h SER 79 N 0.00 0.00 -4.28 -2.05 0.02 -1.93 -3.43 113.55 101.87 1sgf h SER 79 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1sgf h SER 79 Cb 0.49 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.13 1sgf h SER 79 CO 0.02 0.04 0.36 0.00 -1.14 0.00 0.00 176.83 176.11 1sgf s ALA 80 N -4.79 2.54 0.28 3.77 0.00 -0.77 -4.88 121.76 117.90 1sgf s ALA 80 Ca -0.05 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1sgf s ALA 80 Cb 0.16 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1sgf s ALA 80 CO 0.63 -1.31 0.07 -0.65 0.00 0.00 0.00 175.76 174.49 1sgf s GLN 81 N -4.69 1.48 -0.21 0.00 -0.21 -0.52 -5.01 119.66 110.51 1sgf s GLN 81 Ca 0.61 -1.80 -0.09 0.00 0.02 0.00 0.00 55.36 54.10 1sgf s GLN 81 Cb -0.16 -0.53 0.09 0.00 1.00 0.00 0.00 33.01 33.41 1sgf s GLN 81 CO 0.50 -0.23 0.47 -3.38 -2.12 0.00 0.00 175.29 170.53 1sgf s HIS 82 N -3.54 -0.84 0.38 0.91 -3.43 -1.26 -1.28 115.29 106.23 1sgf s HIS 82 Ca 0.36 1.62 0.04 0.00 -0.80 0.00 0.00 55.06 56.28 1sgf s HIS 82 Cb 0.08 0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 31.56 1sgf s HIS 82 CO 0.14 -0.48 0.06 1.03 -2.00 0.00 0.00 174.74 173.49 1sgf s ARG 83 N 2.28 1.84 0.53 -0.38 1.81 -0.37 -5.00 118.95 119.66 1sgf s ARG 83 Ca -0.05 -2.07 0.06 0.00 -1.72 0.00 0.00 55.73 51.95 1sgf s ARG 83 Cb -0.11 -1.02 0.03 0.00 -0.45 0.00 0.00 34.95 33.40 1sgf s ARG 83 CO -0.14 -0.25 0.38 -0.06 -0.68 0.00 0.00 175.30 174.54 1sgf s PHE 84 N -3.13 1.77 -0.03 -0.53 0.40 -1.26 -1.38 117.98 113.81 1sgf s PHE 84 Ca 0.29 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1sgf s PHE 84 Cb 0.07 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 1sgf s PHE 84 CO 0.14 -0.39 -0.13 0.08 0.70 0.00 0.00 175.22 175.62 1sgf s VAL 85 N -2.74 1.12 -0.14 -0.44 1.01 -1.15 -1.11 120.40 116.95 1sgf s VAL 85 Ca 0.34 -0.55 0.16 0.00 0.00 0.00 0.00 61.98 61.94 1sgf s VAL 85 Cb -0.02 -0.97 -0.23 0.00 0.00 0.00 0.00 36.38 35.16 1sgf s VAL 85 CO 0.21 0.33 0.14 -1.54 0.00 0.00 0.00 175.10 174.25 1sgf n SER 86 N 3.19 0.68 -4.00 3.32 3.41 -0.23 -4.81 113.62 115.17 1sgf n SER 86 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1sgf n SER 86 Cb 0.54 1.15 -0.12 0.00 -0.26 0.00 0.00 64.21 65.52 1sgf n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sgf s LYS 87 N -2.63 0.38 -0.05 4.33 1.02 -1.17 -5.03 119.74 116.59 1sgf s LYS 87 Ca -0.08 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1sgf s LYS 87 Cb 0.07 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1sgf s LYS 87 CO 0.73 0.00 -0.04 0.00 -0.92 0.00 0.00 175.35 175.13 1sgf s ALA 88 N -1.24 0.67 -0.27 5.17 0.00 -1.26 -0.46 121.76 124.37 1sgf s ALA 88 Ca -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1sgf s ALA 88 Cb -0.09 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1sgf s ALA 88 CO -0.00 -0.10 0.07 0.42 0.00 0.00 0.00 175.76 176.14 1sgf s ILE 89 N 1.11 0.81 0.24 0.00 1.09 -0.21 -5.01 121.20 119.23 1sgf s ILE 89 Ca -0.08 -1.12 -0.11 0.00 -1.10 0.00 0.00 60.65 58.24 1sgf s ILE 89 Cb -0.14 -1.48 -0.08 0.00 -1.06 0.00 0.00 42.46 39.71 1sgf s ILE 89 CO -0.01 -0.49 0.58 -2.84 -0.10 0.00 0.00 174.94 172.08 1sgf s PRO 90 N 1.68 3.85 0.23 2.79 0.02 -1.26 -0.74 135.00 141.57 1sgf s PRO 90 Ca 0.05 0.36 -0.31 0.00 0.02 0.00 0.00 61.00 61.12 1sgf s PRO 90 Cb -0.17 -2.62 -0.10 0.00 0.02 0.00 0.00 34.50 31.63 1sgf s PRO 90 CO -0.19 0.29 1.52 -1.58 -0.33 0.00 0.00 177.00 176.72 1sgf s HIS 91 N -1.83 2.98 -0.19 6.54 2.46 -0.68 -4.87 115.29 119.69 1sgf s HIS 91 Ca 0.48 0.82 0.22 0.00 0.47 0.00 0.00 55.06 57.05 1sgf s HIS 91 Cb -0.11 -3.91 1.19 0.00 -0.13 0.00 0.00 32.58 29.62 1sgf s HIS 91 CO 0.20 -3.15 1.67 -2.30 -2.47 0.00 0.00 174.74 168.69 1sgf n PRO 92 N 2.90 0.14 0.13 2.88 -0.02 -1.26 -2.22 135.00 137.55 1sgf n PRO 92 Ca 0.10 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1sgf n PRO 92 Cb 0.39 -1.97 0.42 0.00 -0.02 0.00 0.00 33.50 32.32 1sgf n PRO 92 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1sgf h GLY 93 N 0.01 0.00 -4.97 -1.23 0.00 -1.89 -3.44 103.07 91.55 1sgf h GLY 93 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1sgf h GLY 93 CO 0.00 0.00 0.67 -0.12 0.00 0.00 0.00 176.54 177.09 1sgf s PHE 94 N -3.18 3.42 -0.45 5.60 5.36 -0.94 -4.40 117.98 123.38 1sgf s PHE 94 Ca 0.08 1.50 -0.28 0.00 -0.96 0.00 0.00 56.93 57.27 1sgf s PHE 94 Cb 0.11 -3.21 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 1sgf s PHE 94 CO 0.55 -0.36 1.75 1.21 -1.46 0.00 0.00 175.22 176.91 1sgf s ASN 95 N 1.16 5.73 -0.00 6.13 3.84 -1.26 -4.88 114.94 125.66 1sgf s ASN 95 Ca 0.45 0.84 0.00 0.00 0.21 0.00 0.00 52.86 54.36 1sgf s ASN 95 Cb -0.16 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.02 1sgf s ASN 95 CO 0.11 -1.92 0.58 0.80 -2.79 0.00 0.00 177.10 173.88 1sgf n MET 95 N 8.67 1.07 -0.03 0.43 0.00 -1.26 -2.11 117.12 123.89 1sgf n MET 95 Ca 0.21 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.70 57.77 1sgf n MET 95 Cb 0.49 -1.46 -0.14 0.00 0.00 0.00 0.00 33.22 32.11 1sgf n MET 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1sgf n SER 95 N -0.04 0.70 0.34 6.12 7.64 -1.26 -4.24 113.62 122.89 1sgf n SER 95 Ca 0.01 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 1sgf n SER 95 Cb 0.24 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1sgf n SER 95 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sgf h LEU 95 N 0.00 -0.74 -5.11 -3.43 3.38 -1.84 -3.56 115.31 104.02 1sgf h LEU 95 Ca -0.31 0.03 -0.71 0.00 0.09 0.00 0.00 57.88 56.98 1sgf h LEU 95 Cb 1.99 0.19 -0.33 0.00 0.09 0.00 0.00 40.66 42.60 1sgf h LEU 95 CO 0.06 -0.48 0.37 0.23 0.09 0.00 0.00 178.44 178.72 1sgf n MET 95 N -4.59 3.45 -1.65 1.13 2.81 -1.26 -5.17 117.12 111.84 1sgf n MET 95 Ca -0.11 -4.14 0.00 0.00 -1.81 0.00 0.00 57.70 51.64 1sgf n MET 95 Cb 0.34 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1sgf n MET 95 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1sgf n PHE 95 N -0.41 -4.22 -0.08 2.03 7.35 -1.26 -5.07 117.46 115.80 1sgf n PHE 95 Ca 0.46 2.23 0.00 0.00 -0.76 0.00 0.00 57.45 59.38 1sgf n PHE 95 Cb 0.37 -3.42 0.00 0.00 0.35 0.00 0.00 39.48 36.79 1sgf n PHE 95 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1sgf n LEU 95 N 0.53 0.23 -4.02 -2.13 4.77 -1.26 -4.93 117.00 110.19 1sgf n LEU 95 Ca 0.00 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 55.07 1sgf n LEU 95 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sgf n LEU 95 CO 0.00 0.06 1.64 -0.62 -1.33 0.00 0.00 177.39 177.14 1sgf n GLU 96 N -0.50 3.75 -2.45 3.23 1.02 -1.26 -4.32 120.64 120.10 1sgf n GLU 96 Ca 0.00 -3.83 -0.31 0.00 -0.02 0.00 0.00 57.16 53.00 1sgf n GLU 96 Cb 0.02 -2.84 -0.02 0.00 -0.02 0.00 0.00 31.44 28.58 1sgf n GLU 96 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sgf s TYR 97 N -0.13 3.51 -0.36 -0.32 1.51 -1.26 -4.69 117.35 115.60 1sgf s TYR 97 Ca 0.38 1.22 0.04 0.00 -1.01 0.00 0.00 57.07 57.70 1sgf s TYR 97 Cb 0.06 -2.61 0.10 0.00 -0.11 0.00 0.00 41.96 39.40 1sgf s TYR 97 CO 0.02 -0.35 0.08 0.34 -1.11 0.00 0.00 175.55 174.53 1sgf s ASP 98 N -3.47 4.72 -0.66 2.29 2.15 -1.26 -1.81 116.67 118.62 1sgf s ASP 98 Ca 0.54 -2.26 -0.03 0.00 0.43 0.00 0.00 52.55 51.23 1sgf s ASP 98 Cb -0.10 -1.63 0.19 0.00 -0.30 0.00 0.00 42.92 41.07 1sgf s ASP 98 CO 0.38 -0.36 2.43 -1.22 -0.17 0.00 0.00 175.17 176.23 1sgf n TYR 99 N 4.11 2.22 0.00 -5.34 4.01 -1.26 -4.75 117.16 116.14 1sgf n TYR 99 Ca 0.04 -2.14 0.00 0.00 -0.16 0.00 0.00 57.90 55.64 1sgf n TYR 99 Cb 0.41 -1.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 1sgf n TYR 99 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1sgf n SER 100 N 0.32 0.00 -3.53 7.72 7.64 -1.26 -3.99 113.62 120.52 1sgf n SER 100 Ca 0.51 0.22 -0.40 0.00 1.01 0.00 0.00 58.87 60.21 1sgf n SER 100 Cb 0.40 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1sgf n SER 100 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sgf n ASN 101 N -0.27 5.93 -4.53 6.43 3.02 -1.26 -4.85 115.26 119.73 1sgf n ASN 101 Ca 0.00 -2.71 -0.42 0.00 -0.03 0.00 0.00 54.58 51.43 1sgf n ASN 101 Cb 0.00 -1.58 -0.03 0.00 -0.61 0.00 0.00 39.78 37.56 1sgf n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sgf s ASP 102 N 2.83 6.29 -0.21 6.41 -1.08 -1.26 -3.84 116.67 125.82 1sgf s ASP 102 Ca 0.57 -0.94 -0.27 0.00 -0.52 0.00 0.00 52.55 51.38 1sgf s ASP 102 Cb 0.16 -2.53 0.10 0.00 -1.46 0.00 0.00 42.92 39.19 1sgf s ASP 102 CO -0.07 -1.62 0.87 -0.22 0.52 0.00 0.00 175.17 174.65 1sgf s LEU 103 N 5.02 -0.56 -0.21 -1.34 2.96 -1.26 -4.31 118.68 118.98 1sgf s LEU 103 Ca 0.36 0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 1sgf s LEU 103 Cb -0.07 2.17 0.07 0.00 0.50 0.00 0.00 46.19 48.86 1sgf s LEU 103 CO 0.05 -0.30 0.51 -0.32 -1.32 0.00 0.00 176.35 174.97 1sgf s MET 104 N -0.27 0.49 0.14 1.98 -2.45 -0.72 -1.69 119.30 116.79 1sgf s MET 104 Ca -0.01 0.99 -0.14 0.00 -1.25 0.00 0.00 55.69 55.27 1sgf s MET 104 Cb -0.03 0.11 -0.07 0.00 1.25 0.00 0.00 34.83 36.09 1sgf s MET 104 CO 0.00 -0.17 0.55 -0.51 1.05 0.00 0.00 175.02 175.95 1sgf s LEU 105 N 1.68 4.35 -0.16 4.11 1.43 0.08 -1.46 118.68 128.71 1sgf s LEU 105 Ca -0.09 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1sgf s LEU 105 Cb -0.08 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.95 1sgf s LEU 105 CO -0.15 0.11 0.02 -0.22 0.23 0.00 0.00 176.35 176.34 1sgf s LEU 106 N -1.91 1.02 -0.33 1.79 2.96 0.48 -1.05 118.68 121.64 1sgf s LEU 106 Ca 0.37 -0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 1sgf s LEU 106 Cb -0.15 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1sgf s LEU 106 CO 0.19 -0.27 0.72 -0.60 -1.32 0.00 0.00 176.35 175.08 1sgf s ARG 107 N 1.88 3.83 0.84 1.98 3.52 0.39 -1.28 118.95 130.11 1sgf s ARG 107 Ca 0.01 0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.84 1sgf s ARG 107 Cb -0.16 -3.77 0.10 0.00 -1.56 0.00 0.00 34.95 29.56 1sgf s ARG 107 CO -0.07 -0.72 1.11 -0.51 -0.81 0.00 0.00 175.30 174.30 1sgf s LEU 108 N 2.87 2.84 0.00 -0.88 1.43 0.54 -1.07 118.68 124.42 1sgf s LEU 108 Ca 0.29 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1sgf s LEU 108 Cb -0.14 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1sgf s LEU 108 CO 0.14 -2.47 0.00 -0.24 0.23 0.00 0.00 176.35 174.01 1sgf n SER 109 N -3.81 0.00 -4.77 2.29 2.88 -0.27 -4.45 113.62 105.50 1sgf n SER 109 Ca 0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.25 1sgf n SER 109 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1sgf n SER 109 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1sgf s LYS 110 N 0.00 4.64 0.95 -1.46 -2.85 -1.26 -5.00 119.74 114.76 1sgf s LYS 110 Ca 0.00 1.43 -0.11 0.00 -1.00 0.00 0.00 55.97 56.29 1sgf s LYS 110 Cb 0.00 -2.96 0.15 0.00 -2.06 0.00 0.00 37.83 32.96 1sgf s LYS 110 CO 0.00 0.32 1.07 -2.30 0.10 0.00 0.00 175.35 174.53 1sgf n PRO 111 N 0.85 -0.64 -2.79 1.78 -0.02 -1.26 -4.87 135.00 128.05 1sgf n PRO 111 Ca 0.01 -0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 1sgf n PRO 111 Cb 0.49 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1sgf n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sgf s ALA 112 N -2.60 3.32 -1.18 3.55 0.00 0.23 -4.96 121.76 120.14 1sgf s ALA 112 Ca 0.66 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1sgf s ALA 112 Cb -0.23 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1sgf s ALA 112 CO 0.60 0.21 1.53 0.34 0.00 0.00 0.00 175.76 178.44 1sgf s ASP 113 N -1.28 6.81 -0.41 0.00 2.15 -1.26 -4.84 116.67 117.84 1sgf s ASP 113 Ca 0.43 -2.35 -0.34 0.00 0.43 0.00 0.00 52.55 50.71 1sgf s ASP 113 Cb -0.24 -2.51 -0.12 0.00 -0.30 0.00 0.00 42.92 39.75 1sgf s ASP 113 CO 0.29 -1.11 2.25 -0.38 -0.17 0.00 0.00 175.17 176.05 1sgf n ILE 114 N 5.91 0.14 -3.08 4.11 2.08 -1.26 -4.83 119.36 122.44 1sgf n ILE 114 Ca 0.40 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1sgf n ILE 114 Cb 0.46 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 1sgf n ILE 114 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1sgf n THR 115 N 7.28 0.00 -0.06 1.39 -2.24 -0.92 -4.98 114.28 114.75 1sgf n THR 115 Ca 0.43 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1sgf n THR 115 Cb 0.23 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.56 1sgf n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sgf h ASP 116 N 0.00 0.73 -0.31 3.42 5.19 -1.97 -3.13 116.42 120.35 1sgf h ASP 116 Ca 0.00 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1sgf h ASP 116 Cb 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1sgf h ASP 116 CO 0.00 0.97 0.00 1.07 -3.12 0.00 0.00 179.24 178.16 1sgf n THR 117 N -4.09 0.41 -3.37 0.35 5.66 -1.26 -4.60 114.28 107.38 1sgf n THR 117 Ca -0.00 -0.54 -0.18 0.00 -3.05 0.00 0.00 64.05 60.27 1sgf n THR 117 Cb 0.46 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.70 1sgf n THR 117 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1sgf s VAL 118 N -1.59 -0.28 -0.02 1.08 1.01 -1.18 -4.22 120.40 115.20 1sgf s VAL 118 Ca 0.34 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1sgf s VAL 118 Cb 0.19 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1sgf s VAL 118 CO 0.27 -0.63 -0.20 -0.54 0.00 0.00 0.00 175.10 174.00 1sgf s LYS 119 N 1.36 1.68 0.59 2.72 1.02 -1.26 -2.16 119.74 123.70 1sgf s LYS 119 Ca 0.17 -0.73 -0.16 0.00 0.02 0.00 0.00 55.97 55.28 1sgf s LYS 119 Cb -0.16 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1sgf s LYS 119 CO -0.02 0.43 1.06 -2.14 -0.92 0.00 0.00 175.35 173.75 1sgf s PRO 120 N -0.44 3.33 0.03 -1.68 0.02 -1.26 -3.25 135.00 131.75 1sgf s PRO 120 Ca 0.07 1.20 0.05 0.00 0.02 0.00 0.00 61.00 62.34 1sgf s PRO 120 Cb -0.08 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1sgf s PRO 120 CO -0.01 -0.80 -0.11 -1.50 -0.33 0.00 0.00 177.00 174.26 1sgf s ILE 121 N -2.46 3.34 0.14 2.83 2.07 -0.63 -4.94 121.20 121.55 1sgf s ILE 121 Ca 0.63 -0.98 -0.28 0.00 -1.41 0.00 0.00 60.65 58.61 1sgf s ILE 121 Cb -0.16 -2.46 -0.07 0.00 0.13 0.00 0.00 42.46 39.91 1sgf s ILE 121 CO 0.37 0.33 0.89 0.42 -1.91 0.00 0.00 174.94 175.04 1sgf s THR 122 N -1.01 4.42 0.94 4.00 -4.23 -1.26 -4.64 115.64 113.87 1sgf s THR 122 Ca 0.17 1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 62.51 1sgf s THR 122 Cb -0.11 -4.26 0.16 0.00 1.34 0.00 0.00 72.50 69.63 1sgf s THR 122 CO 0.08 0.40 1.10 -0.76 -0.54 0.00 0.00 174.62 174.90 1sgf s LEU 123 N -0.47 2.28 0.27 4.79 1.43 -1.26 -4.26 118.68 121.47 1sgf s LEU 123 Ca 0.42 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.21 1sgf s LEU 123 Cb -0.23 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 1sgf s LEU 123 CO 0.28 -3.08 0.64 -2.16 0.23 0.00 0.00 176.35 172.27 1sgf s PRO 124 N -4.72 3.92 -0.03 1.29 0.05 -1.25 -4.90 135.00 129.36 1sgf s PRO 124 Ca 0.65 0.49 0.22 0.00 0.05 0.00 0.00 61.00 62.41 1sgf s PRO 124 Cb -0.21 -2.56 0.39 0.00 0.05 0.00 0.00 34.50 32.16 1sgf s PRO 124 CO 0.59 0.25 1.16 0.25 0.05 0.00 0.00 177.00 179.30 1sgf n THR 125 N -0.18 0.29 -3.86 1.26 -2.24 -1.26 -4.84 114.28 103.46 1sgf n THR 125 Ca 0.02 -1.21 -0.11 0.00 -2.27 0.00 0.00 64.05 60.47 1sgf n THR 125 Cb 0.53 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1sgf n THR 125 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sgf s GLU 128 N -0.43 0.43 -0.24 -0.78 2.12 -1.26 -5.11 118.70 113.42 1sgf s GLU 128 Ca 0.32 -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.18 1sgf s GLU 128 Cb 0.35 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.90 1sgf s GLU 128 CO -0.14 -0.10 0.51 -2.00 -0.54 0.00 0.00 175.26 172.99 1sgf s GLU 129 N -1.11 4.11 0.58 4.30 2.56 -1.26 -4.84 118.70 123.04 1sgf s GLU 129 Ca -0.12 0.34 -0.19 0.00 0.00 0.00 0.00 54.97 55.00 1sgf s GLU 129 Cb -0.06 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 1sgf s GLU 129 CO 0.01 -0.28 1.18 -1.25 -0.56 0.00 0.00 175.26 174.37 1sgf s PRO 130 N 2.06 3.07 0.08 4.30 0.04 -1.26 -5.02 135.00 138.27 1sgf s PRO 130 Ca 0.22 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 1sgf s PRO 130 Cb -0.16 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1sgf s PRO 130 CO 0.09 -1.11 0.37 -1.59 0.04 0.00 0.00 177.00 174.81 1sgf s LYS 131 N -3.35 3.70 0.49 4.56 -2.85 -1.26 -5.07 119.74 115.97 1sgf s LYS 131 Ca 0.76 0.09 -0.21 0.00 -1.00 0.00 0.00 55.97 55.60 1sgf s LYS 131 Cb -0.28 -2.99 -0.07 0.00 -2.06 0.00 0.00 37.83 32.43 1sgf s LYS 131 CO 0.32 0.56 1.14 -0.51 0.10 0.00 0.00 175.35 176.95 1sgf s LEU 132 N -2.00 3.90 0.00 2.77 1.43 -1.26 -2.76 118.68 120.76 1sgf s LEU 132 Ca 0.33 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1sgf s LEU 132 Cb -0.13 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1sgf s LEU 132 CO 0.19 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1sgf n GLY 133 N 0.28 2.50 3.61 -3.19 0.00 -0.35 -4.99 105.19 103.04 1sgf n GLY 133 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1sgf n GLY 133 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgf n SER 134 N 0.00 0.56 -4.54 1.61 7.64 -1.11 -4.61 113.62 113.17 1sgf n SER 134 Ca 0.00 0.73 -0.40 0.00 1.01 0.00 0.00 58.87 60.21 1sgf n SER 134 Cb 0.00 -1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 61.71 1sgf n SER 134 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sgf s THR 135 N -1.65 5.21 0.17 0.44 2.01 -1.26 -1.76 115.64 118.80 1sgf s THR 135 Ca 0.75 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.80 1sgf s THR 135 Cb -0.38 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1sgf s THR 135 CO 0.48 -0.05 0.17 0.00 -0.69 0.00 0.00 174.62 174.54 1sgf s LEU 137 N -3.24 2.07 -0.01 0.00 2.96 -0.20 -0.18 118.68 120.07 1sgf s LEU 137 Ca 0.32 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1sgf s LEU 137 Cb -0.10 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1sgf s LEU 137 CO 0.25 0.25 -0.10 0.00 -1.32 0.00 0.00 176.35 175.43 1sgf s ALA 138 N -0.19 0.80 0.22 5.97 0.00 -0.88 -0.67 121.76 127.01 1sgf s ALA 138 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1sgf s ALA 138 Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1sgf s ALA 138 CO 0.03 0.19 0.04 -1.54 0.00 0.00 0.00 175.76 174.48 1sgf s SER 139 N -0.18 1.31 0.00 0.00 1.04 -1.25 -1.31 113.70 113.31 1sgf s SER 139 Ca 0.03 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1sgf s SER 139 Cb -0.04 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1sgf s SER 139 CO -0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1sgf n GLY 140 N -0.36 3.23 1.56 7.32 0.00 -0.81 -4.60 105.19 111.53 1sgf n GLY 140 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1sgf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sgf n TRP 141 N -1.16 1.62 -1.37 1.61 8.01 -1.26 -3.09 117.44 121.79 1sgf n TRP 141 Ca 0.00 -0.71 -0.29 0.00 -1.31 0.00 0.00 57.50 55.20 1sgf n TRP 141 Cb 0.00 -0.47 0.22 0.00 -2.01 0.00 0.00 31.31 29.06 1sgf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sgf n GLY 142 N 0.21 -2.26 3.72 6.99 0.00 -1.22 -2.24 105.19 110.40 1sgf n GLY 142 Ca 0.24 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1sgf n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgf s SER 143 N -4.88 4.29 -0.01 1.61 1.04 -0.87 -2.77 113.70 112.10 1sgf s SER 143 Ca 0.70 2.50 0.17 0.00 0.48 0.00 0.00 55.95 59.80 1sgf s SER 143 Cb -0.05 -2.61 -0.22 0.00 0.10 0.00 0.00 66.02 63.25 1sgf s SER 143 CO 0.52 -2.21 0.56 2.30 0.98 0.00 0.00 173.24 175.39 1sgf n ILE 144 N -2.39 0.00 -4.08 -1.02 -5.35 -1.08 0.11 119.36 105.54 1sgf n ILE 144 Ca 0.15 -0.23 -0.35 0.00 -0.27 0.00 0.00 62.75 62.04 1sgf n ILE 144 Cb 0.49 0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 38.92 1sgf n ILE 144 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sgf s THR 145 N -2.83 4.82 0.14 7.28 -4.23 -1.26 -4.57 115.64 114.99 1sgf s THR 145 Ca 0.01 -0.04 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 1sgf s THR 145 Cb 0.12 -3.11 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 1sgf s THR 145 CO 0.69 0.54 1.65 -0.65 -0.54 0.00 0.00 174.62 176.31 1sgf h PRO 146 N 5.83 -0.22 0.00 3.99 0.11 -1.91 -3.40 132.00 136.40 1sgf h PRO 146 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sgf h PRO 146 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sgf h PRO 146 CO 0.63 -0.15 -0.28 -2.37 -0.21 0.00 0.00 178.00 175.62 1sgf n THR 147 N -5.33 0.52 -1.98 -1.15 5.66 -1.26 -2.58 114.28 108.15 1sgf n THR 147 Ca -0.02 0.38 -0.37 0.00 -3.05 0.00 0.00 64.05 60.99 1sgf n THR 147 Cb 0.25 -1.81 0.03 0.00 -1.55 0.00 0.00 70.33 67.25 1sgf n THR 147 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1sgf s LYS 148 N -1.58 3.12 -0.78 1.09 -0.14 -1.26 -4.92 119.74 115.27 1sgf s LYS 148 Ca -0.08 1.93 -0.15 0.00 -1.36 0.00 0.00 55.97 56.32 1sgf s LYS 148 Cb 0.01 -2.08 0.20 0.00 -1.68 0.00 0.00 37.83 34.28 1sgf s LYS 148 CO 0.12 -1.12 0.73 -0.06 -0.76 0.00 0.00 175.35 174.26 1sgf s PHE 149 N -1.50 3.64 -0.82 3.18 0.08 -1.26 -4.49 117.98 116.80 1sgf s PHE 149 Ca 0.74 -1.83 -0.08 0.00 0.12 0.00 0.00 56.93 55.89 1sgf s PHE 149 Cb -0.33 -3.84 0.21 0.00 -0.57 0.00 0.00 43.02 38.50 1sgf s PHE 149 CO 0.37 -1.02 0.72 -0.65 -0.10 0.00 0.00 175.22 174.55 1sgf s GLN 150 N 0.55 3.32 0.79 0.44 -0.21 -1.26 -4.98 119.66 118.31 1sgf s GLN 150 Ca 0.16 -2.76 -0.13 0.00 0.02 0.00 0.00 55.36 52.64 1sgf s GLN 150 Cb -0.14 -4.15 0.07 0.00 1.00 0.00 0.00 33.01 29.80 1sgf s GLN 150 CO -0.07 -1.24 1.19 -0.06 -2.12 0.00 0.00 175.29 173.00 1sgf s PHE 151 N -0.42 1.90 0.06 0.91 0.40 -1.26 -2.63 117.98 116.94 1sgf s PHE 151 Ca 0.21 1.66 0.02 0.00 -0.60 0.00 0.00 56.93 58.22 1sgf s PHE 151 Cb -0.13 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.92 1sgf s PHE 151 CO -0.08 -2.72 0.12 0.95 0.70 0.00 0.00 175.22 174.20 1sgf s THR 152 N -2.19 4.83 -0.01 0.64 -4.23 -0.95 -4.89 115.64 108.86 1sgf s THR 152 Ca 0.72 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 60.48 1sgf s THR 152 Cb -0.28 -3.32 -0.34 0.00 1.34 0.00 0.00 72.50 69.91 1sgf s THR 152 CO 0.50 0.16 0.87 0.44 -0.54 0.00 0.00 174.62 176.05 1sgf h ASP 153 N 3.34 0.73 -3.64 3.99 5.19 -1.93 -3.45 116.42 120.64 1sgf h ASP 153 Ca -0.47 -0.93 -0.51 0.00 -0.62 0.00 0.00 57.03 54.51 1sgf h ASP 153 Cb 1.16 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.41 1sgf h ASP 153 CO 0.69 1.71 0.04 -1.81 -3.12 0.00 0.00 179.24 176.74 1sgf s ASP 154 N -7.43 6.74 -0.24 6.45 1.01 -1.26 -1.40 116.67 120.54 1sgf s ASP 154 Ca -0.12 1.18 -0.29 0.00 0.71 0.00 0.00 52.55 54.03 1sgf s ASP 154 Cb 0.04 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.65 1sgf s ASP 154 CO 0.90 -0.16 1.07 -0.22 0.21 0.00 0.00 175.17 176.97 1sgf s LEU 155 N -2.92 4.07 0.12 1.23 2.96 -0.31 -4.75 118.68 119.08 1sgf s LEU 155 Ca 0.52 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.76 1sgf s LEU 155 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1sgf s LEU 155 CO 0.18 -0.73 0.30 -0.31 -1.32 0.00 0.00 176.35 174.48 1sgf s TYR 156 N 3.34 3.49 0.16 5.38 1.51 -1.18 -1.85 117.35 128.20 1sgf s TYR 156 Ca 0.46 0.34 0.09 0.00 -1.01 0.00 0.00 57.07 56.94 1sgf s TYR 156 Cb -0.15 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1sgf s TYR 156 CO 0.09 0.49 -0.19 0.00 -1.11 0.00 0.00 175.55 174.83 1sgf s VAL 158 N -1.85 0.05 -0.30 0.00 0.11 -0.43 -0.62 120.40 117.36 1sgf s VAL 158 Ca 0.15 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 1sgf s VAL 158 Cb -0.07 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1sgf s VAL 158 CO 0.07 -0.22 0.13 0.20 -3.33 0.00 0.00 175.10 171.95 1sgf s ASN 159 N -1.31 5.42 0.41 3.54 0.01 -1.26 -2.08 114.94 119.66 1sgf s ASN 159 Ca -0.13 -0.50 0.08 0.00 -0.71 0.00 0.00 52.86 51.59 1sgf s ASN 159 Cb -0.04 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1sgf s ASN 159 CO 0.05 -0.17 0.27 -0.76 -1.51 0.00 0.00 177.10 174.98 1sgf s LEU 160 N 1.60 3.25 -0.09 0.60 1.43 0.75 -4.93 118.68 121.28 1sgf s LEU 160 Ca 0.05 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1sgf s LEU 160 Cb -0.17 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1sgf s LEU 160 CO 0.05 -0.58 -0.14 -0.75 0.23 0.00 0.00 176.35 175.17 1sgf s LYS 161 N -4.00 2.95 -0.68 1.70 2.20 -0.65 -0.47 119.74 120.80 1sgf s LYS 161 Ca 0.44 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 55.09 1sgf s LYS 161 Cb 0.00 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.84 1sgf s LYS 161 CO 0.25 0.42 1.33 -1.17 -0.36 0.00 0.00 175.35 175.82 1sgf s LEU 162 N -0.18 3.25 0.54 5.43 2.96 -0.72 -1.48 118.68 128.47 1sgf s LEU 162 Ca 0.00 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1sgf s LEU 162 Cb -0.13 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1sgf s LEU 162 CO 0.03 -1.81 0.82 -0.76 -1.32 0.00 0.00 176.35 173.32 1sgf s LEU 163 N 5.94 3.37 0.36 -0.68 1.43 -0.78 -1.22 118.68 127.11 1sgf s LEU 163 Ca 0.41 0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 53.82 1sgf s LEU 163 Cb -0.09 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 1sgf s LEU 163 CO 0.19 -0.94 1.05 -2.84 0.23 0.00 0.00 176.35 174.04 1sgf s PRO 164 N -4.84 4.32 0.50 1.29 0.02 -1.26 -4.26 135.00 130.77 1sgf s PRO 164 Ca 0.52 1.58 0.15 0.00 0.02 0.00 0.00 61.00 63.27 1sgf s PRO 164 Cb -0.10 -2.74 0.84 0.00 0.02 0.00 0.00 34.50 32.52 1sgf s PRO 164 CO 0.43 -0.02 1.41 -0.91 -0.33 0.00 0.00 177.00 177.58 1sgf h ASN 165 N 2.90 0.00 0.66 2.53 -0.26 -1.92 -0.92 115.58 118.58 1sgf h ASN 165 Ca -0.48 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.13 1sgf h ASN 165 Cb 1.21 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.45 1sgf h ASN 165 CO 0.64 0.00 -0.65 -0.33 -1.06 0.00 0.00 177.43 176.03 1sgf h GLU 166 N 0.00 0.00 -0.54 0.81 5.08 -1.99 -2.85 114.58 115.09 1sgf h GLU 166 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1sgf h GLU 166 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1sgf h GLU 166 CO 0.00 0.65 0.16 -0.44 -1.00 0.00 0.00 179.01 178.38 1sgf h ASP 167 N 0.00 0.75 -0.04 1.42 3.32 -1.54 -1.95 116.42 118.38 1sgf h ASP 167 Ca -0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1sgf h ASP 167 Cb 1.16 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1sgf h ASP 167 CO 0.08 0.71 -0.06 0.00 -1.72 0.00 0.00 179.24 178.25 1sgf h ALA 169 N 0.50 1.81 -0.11 0.00 0.00 -1.34 0.13 119.26 120.25 1sgf h ALA 169 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1sgf h ALA 169 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sgf h ALA 169 CO 0.01 0.12 -0.05 -0.22 0.00 0.00 0.00 179.25 179.11 1sgf h LYS 170 N 0.00 0.23 0.00 0.00 3.64 -1.40 -3.36 116.57 115.68 1sgf h LYS 170 Ca -0.00 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.06 1sgf h LYS 170 Cb 0.17 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1sgf h LYS 170 CO 0.01 0.58 -1.40 0.00 -2.27 0.00 0.00 179.45 176.37 1sgf h ALA 171 N 0.65 0.67 -2.79 5.00 0.00 -1.36 -3.47 119.26 117.96 1sgf h ALA 171 Ca 0.03 -1.07 -0.66 0.00 0.00 0.00 0.00 54.91 53.21 1sgf h ALA 171 Cb 0.50 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1sgf h ALA 171 CO 0.02 1.21 -0.50 -1.01 0.00 0.00 0.00 179.25 178.96 1sgf s HIS 172 N -2.77 3.52 -0.67 0.00 3.76 0.43 -4.99 115.29 114.58 1sgf s HIS 172 Ca -0.02 0.41 0.25 0.00 -0.15 0.00 0.00 55.06 55.55 1sgf s HIS 172 Cb 0.08 -1.87 0.63 0.00 1.11 0.00 0.00 32.58 32.54 1sgf s HIS 172 CO 0.81 0.67 1.62 0.82 -0.85 0.00 0.00 174.74 177.81 1sgf h ILE 173 N 3.43 0.00 -3.46 0.60 2.04 -1.88 -3.44 117.51 114.81 1sgf h ILE 173 Ca -0.52 -0.54 -0.53 0.00 1.00 0.00 0.00 64.86 64.27 1sgf h ILE 173 Cb 1.21 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1sgf h ILE 173 CO 0.63 0.00 -0.09 -1.61 0.00 0.00 0.00 178.15 177.08 1sgf s GLU 174 N -3.13 3.81 0.09 2.37 8.01 -1.26 -4.36 118.70 124.23 1sgf s GLU 174 Ca 0.09 0.30 -0.35 0.00 0.01 0.00 0.00 54.97 55.02 1sgf s GLU 174 Cb 0.12 -2.62 -0.15 0.00 -4.31 0.00 0.00 34.13 27.18 1sgf s GLU 174 CO 0.64 0.28 1.53 1.63 0.01 0.00 0.00 175.26 179.36 1sgf n LYS 175 N -0.26 1.77 -3.87 1.61 4.76 -0.75 -4.91 118.16 116.52 1sgf n LYS 175 Ca 0.01 0.64 -0.35 0.00 -2.87 0.00 0.00 58.31 55.73 1sgf n LYS 175 Cb 0.53 -2.37 -0.13 0.00 -1.84 0.00 0.00 35.03 31.21 1sgf n LYS 175 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sgf s VAL 176 N 1.17 3.14 0.52 -0.18 1.01 -1.26 -4.70 120.40 120.10 1sgf s VAL 176 Ca 0.83 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1sgf s VAL 176 Cb -0.79 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1sgf s VAL 176 CO 0.43 -0.16 0.25 0.42 0.00 0.00 0.00 175.10 176.04 1sgf s THR 177 N 1.27 1.57 -1.40 3.92 -4.23 -1.26 -4.98 115.64 110.53 1sgf s THR 177 Ca -0.04 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1sgf s THR 177 Cb -0.20 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1sgf s THR 177 CO -0.01 0.00 0.44 -0.90 -0.54 0.00 0.00 174.62 173.62 1sgf n ASP 178 N -1.55 0.38 -0.14 3.99 5.75 -1.26 -0.99 116.55 122.73 1sgf n ASP 178 Ca -0.07 -1.27 0.01 0.00 -0.01 0.00 0.00 54.79 53.46 1sgf n ASP 178 Cb 0.65 -0.19 0.03 0.00 -1.03 0.00 0.00 41.12 40.58 1sgf n ASP 178 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgf n ALA 179 N -0.09 2.16 -2.38 2.12 0.00 -1.26 -4.97 120.51 116.09 1sgf n ALA 179 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 1sgf n ALA 179 Cb 0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1sgf n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sgf s MET 180 N -0.80 2.12 -0.13 0.00 -1.94 -0.16 -0.31 119.30 118.09 1sgf s MET 180 Ca 0.05 -0.93 -0.01 0.00 -1.71 0.00 0.00 55.69 53.09 1sgf s MET 180 Cb 0.03 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.72 1sgf s MET 180 CO 0.04 0.56 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.35 1sgf s LEU 181 N -0.91 2.98 -0.21 -0.03 2.96 0.22 -4.78 118.68 118.90 1sgf s LEU 181 Ca 0.11 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1sgf s LEU 181 Cb -0.10 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1sgf s LEU 181 CO 0.01 0.20 0.09 0.00 -1.32 0.00 0.00 176.35 175.34 1sgf s ALA 183 N 0.72 -0.24 0.00 0.00 0.00 -0.83 -1.87 121.76 119.54 1sgf s ALA 183 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1sgf s ALA 183 Cb -0.13 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1sgf s ALA 183 CO 0.02 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1sgf n GLY 184 N 0.16 0.14 3.33 0.00 0.00 -0.55 -0.51 105.19 107.74 1sgf n GLY 184 Ca -0.16 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1sgf n GLY 184 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sgf s GLU 185 N -2.00 1.55 -0.03 1.61 2.56 -1.26 -1.63 118.70 119.50 1sgf s GLU 185 Ca 0.00 -1.13 0.17 0.00 0.00 0.00 0.00 54.97 54.01 1sgf s GLU 185 Cb 0.00 -1.79 -0.20 0.00 2.00 0.00 0.00 34.13 34.14 1sgf s GLU 185 CO 0.00 0.45 0.57 -1.33 -0.56 0.00 0.00 175.26 174.39 1sgf n MET 186 N 1.53 0.64 0.06 4.30 2.81 -1.26 -3.72 117.12 121.48 1sgf n MET 186 Ca -0.17 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 55.96 1sgf n MET 186 Cb 0.53 -1.70 0.47 0.00 -0.71 0.00 0.00 33.22 31.80 1sgf n MET 186 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sgf n ASP 186 N -2.81 0.36 0.00 7.83 8.00 -1.26 -2.14 116.55 126.53 1sgf n ASP 186 Ca -0.16 0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1sgf n ASP 186 Cb 0.92 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1sgf n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgf n GLY 186 N 0.81 -0.88 1.03 0.44 0.00 -1.24 -4.60 105.19 100.75 1sgf n GLY 186 Ca 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1sgf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgf n GLY 187 N -0.93 1.01 2.84 -0.02 0.00 -0.20 -4.96 105.19 102.93 1sgf n GLY 187 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1sgf n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgf s LYS 188 N -0.66 0.60 -0.30 1.61 1.02 -1.26 -3.35 119.74 117.41 1sgf s LYS 188 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 55.97 55.62 1sgf s LYS 188 Cb 0.00 -0.74 0.17 0.00 -0.52 0.00 0.00 37.83 36.74 1sgf s LYS 188 CO 0.00 -0.14 1.39 0.34 -0.92 0.00 0.00 175.35 176.02 1sgf s ASP 189 N 1.16 -0.00 0.76 2.83 2.15 -0.98 -3.98 116.67 118.60 1sgf s ASP 189 Ca -0.08 0.00 -0.11 0.00 0.43 0.00 0.00 52.55 52.79 1sgf s ASP 189 Cb -0.14 0.00 0.05 0.00 -0.30 0.00 0.00 42.92 42.54 1sgf s ASP 189 CO -0.01 -0.01 1.13 0.42 -0.17 0.00 0.00 175.17 176.53 1sgf s THR 190 N -1.82 2.67 0.24 1.71 -4.23 -1.26 -0.95 115.64 112.00 1sgf s THR 190 Ca 0.12 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1sgf s THR 190 Cb -0.01 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.63 1sgf s THR 190 CO -0.03 -0.27 0.36 0.00 -0.54 0.00 0.00 174.62 174.14 1sgf n LYS 192 N -0.39 1.11 0.00 0.00 3.00 -1.26 -1.60 118.16 119.02 1sgf n LYS 192 Ca -0.00 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1sgf n LYS 192 Cb 0.40 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.35 1sgf n LYS 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sgf n GLY 193 N 3.88 0.60 0.00 3.14 0.00 -1.26 -2.05 105.19 109.50 1sgf n GLY 193 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.38 1sgf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgf n ASP 194 N 0.00 0.89 -4.55 1.61 8.00 -0.63 -3.45 116.55 118.41 1sgf n ASP 194 Ca 0.00 -0.83 -0.40 0.00 0.71 0.00 0.00 54.79 54.27 1sgf n ASP 194 Cb 0.00 0.83 0.03 0.00 -0.02 0.00 0.00 41.12 41.96 1sgf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sgf n SER 195 N -1.50 0.27 0.00 -2.24 7.64 -1.26 -2.14 113.62 114.39 1sgf n SER 195 Ca 0.04 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1sgf n SER 195 Cb 0.33 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1sgf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgf n GLY 196 N 1.44 2.32 3.82 0.23 0.00 -0.59 0.15 105.19 112.55 1sgf n GLY 196 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1sgf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgf s GLY 197 N -1.91 1.66 0.55 -0.02 0.00 -0.91 -3.00 107.32 103.70 1sgf s GLY 197 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 1sgf s GLY 197 CO 0.00 0.38 1.01 2.56 0.00 0.00 0.00 173.10 177.05 1sgf s PRO 198 N -5.05 3.72 -0.49 2.90 0.05 -1.26 -0.53 135.00 134.33 1sgf s PRO 198 Ca 0.58 1.00 0.03 0.00 0.05 0.00 0.00 61.00 62.66 1sgf s PRO 198 Cb -0.14 -2.10 0.14 0.00 0.05 0.00 0.00 34.50 32.45 1sgf s PRO 198 CO 0.55 -0.47 0.29 -1.17 0.05 0.00 0.00 177.00 176.25 1sgf s LEU 199 N -4.33 3.20 -0.64 -3.56 2.96 0.62 -3.91 118.68 113.02 1sgf s LEU 199 Ca 0.60 -2.91 -0.22 0.00 -0.22 0.00 0.00 54.13 51.38 1sgf s LEU 199 Cb -0.12 -1.19 0.07 0.00 0.50 0.00 0.00 46.19 45.46 1sgf s LEU 199 CO 0.36 -0.23 0.91 -0.63 -1.32 0.00 0.00 176.35 175.44 1sgf s ILE 200 N -0.05 4.42 -0.23 6.68 1.01 0.16 -2.18 121.20 131.01 1sgf s ILE 200 Ca 0.20 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1sgf s ILE 200 Cb -0.20 -4.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 1sgf s ILE 200 CO -0.04 -1.37 0.33 0.00 0.00 0.00 0.00 174.94 173.86 1sgf n ASP 202 N 4.66 -2.55 0.00 0.00 9.92 -1.10 -1.56 116.55 125.92 1sgf n ASP 202 Ca -0.10 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1sgf n ASP 202 Cb 0.51 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.14 1sgf n ASP 202 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sgf n GLY 207 N -1.66 2.65 3.50 0.44 0.00 -1.26 -4.99 105.19 103.87 1sgf n GLY 207 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1sgf n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgf s VAL 208 N -2.56 3.56 -0.14 1.61 1.01 -0.60 -5.06 120.40 118.22 1sgf s VAL 208 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1sgf s VAL 208 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1sgf s VAL 208 CO 0.00 0.55 1.73 -0.22 0.00 0.00 0.00 175.10 177.16 1sgf s LEU 209 N -0.22 4.04 0.00 3.92 2.96 -1.26 -1.26 118.68 126.87 1sgf s LEU 209 Ca 0.02 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1sgf s LEU 209 Cb -0.13 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1sgf s LEU 209 CO 0.03 -1.21 0.00 0.00 -1.32 0.00 0.00 176.35 173.85 1sgf n GLN 210 N 7.60 5.21 -3.79 1.98 1.13 -0.93 -3.94 117.38 124.65 1sgf n GLN 210 Ca 0.20 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.17 1sgf n GLN 210 Cb 0.44 -0.45 -0.03 0.00 0.11 0.00 0.00 30.24 30.31 1sgf n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1sgf s GLY 211 N -0.88 -0.08 -0.08 1.08 0.00 -0.96 -2.13 107.32 104.27 1sgf s GLY 211 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1sgf s GLY 211 CO 0.00 -0.17 -0.08 -0.42 0.00 0.00 0.00 173.10 172.43 1sgf s ILE 212 N -3.90 0.94 -0.11 0.90 1.01 -1.03 -0.27 121.20 118.74 1sgf s ILE 212 Ca 0.11 -0.30 -0.34 0.00 0.00 0.00 0.00 60.65 60.11 1sgf s ILE 212 Cb -0.03 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.40 1sgf s ILE 212 CO 0.02 0.33 1.92 0.41 0.00 0.00 0.00 174.94 177.62 1sgf n THR 213 N 4.36 0.56 0.00 2.92 -1.04 0.31 -0.62 114.28 120.77 1sgf n THR 213 Ca -0.18 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1sgf n THR 213 Cb 0.51 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1sgf n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sgf n SER 214 N 7.09 0.00 -4.26 8.00 2.88 -1.13 -1.55 113.62 124.65 1sgf n SER 214 Ca 0.24 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.54 1sgf n SER 214 Cb 0.30 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 1sgf n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sgf s TRP 215 N -0.30 1.83 0.00 0.66 1.48 -0.79 -4.88 118.94 116.94 1sgf s TRP 215 Ca 0.00 -1.16 0.00 0.00 -1.06 0.00 0.00 56.10 53.88 1sgf s TRP 215 Cb 0.00 -1.20 0.00 0.00 -1.16 0.00 0.00 33.47 31.11 1sgf s TRP 215 CO 0.00 -0.18 0.00 0.41 -4.06 0.00 0.00 176.95 173.12 1sgf n GLY 216 N -0.83 0.95 3.44 3.67 0.00 -1.26 -0.71 105.19 110.45 1sgf n GLY 216 Ca -0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1sgf n GLY 216 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sgf s HIS 217 N -1.52 2.55 -0.14 1.61 2.46 -1.26 -5.01 115.29 113.98 1sgf s HIS 217 Ca 0.00 -0.26 0.02 0.00 0.47 0.00 0.00 55.06 55.29 1sgf s HIS 217 Cb 0.00 -1.50 0.01 0.00 -0.13 0.00 0.00 32.58 30.97 1sgf s HIS 217 CO 0.00 0.20 -0.20 0.99 -2.47 0.00 0.00 174.74 173.26 1sgf s THR 218 N -0.84 1.90 0.29 0.89 2.01 -1.26 -2.57 115.64 116.06 1sgf s THR 218 Ca 0.13 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1sgf s THR 218 Cb -0.10 -1.70 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 1sgf s THR 218 CO 0.03 0.52 1.35 -2.84 -0.69 0.00 0.00 174.62 172.99 1sgf s PRO 219 N 0.99 4.33 0.46 4.92 0.02 -1.26 -5.10 135.00 139.37 1sgf s PRO 219 Ca -0.04 2.23 -0.21 0.00 0.02 0.00 0.00 61.00 63.00 1sgf s PRO 219 Cb -0.15 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1sgf s PRO 219 CO -0.05 -0.26 1.01 0.00 -0.33 0.00 0.00 177.00 177.37 1sgf n GLY 221 N -0.36 0.22 3.87 0.00 0.00 -1.26 -4.56 105.19 103.09 1sgf n GLY 221 Ca 0.08 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1sgf n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sgf s GLU 222 N -4.21 3.84 0.43 1.61 2.12 -1.26 -1.03 118.70 120.21 1sgf s GLU 222 Ca 0.00 0.32 -0.26 0.00 0.36 0.00 0.00 54.97 55.40 1sgf s GLU 222 Cb -0.00 -2.73 -0.08 0.00 0.26 0.00 0.00 34.13 31.58 1sgf s GLU 222 CO 0.00 0.36 1.38 -2.14 -0.54 0.00 0.00 175.26 174.32 1sgf s PRO 222 N -2.58 3.80 -1.01 4.30 0.02 -1.26 -2.73 135.00 135.54 1sgf s PRO 222 Ca 0.45 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1sgf s PRO 222 Cb -0.12 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1sgf s PRO 222 CO 0.21 -0.68 0.00 -0.25 -0.33 0.00 0.00 177.00 175.94 1sgf n ASP 223 N -0.06 -5.01 -3.68 2.53 8.00 -0.91 -4.95 116.55 112.47 1sgf n ASP 223 Ca 0.04 0.24 -0.28 0.00 0.71 0.00 0.00 54.79 55.50 1sgf n ASP 223 Cb 0.42 -3.35 -0.12 0.00 -0.02 0.00 0.00 41.12 38.06 1sgf n ASP 223 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1sgf s MET 224 N -2.61 1.52 0.72 -1.24 -1.94 -1.10 -4.74 119.30 109.91 1sgf s MET 224 Ca 0.00 -2.40 -0.11 0.00 -1.71 0.00 0.00 55.69 51.47 1sgf s MET 224 Cb 0.00 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 34.46 1sgf s MET 224 CO 0.00 -1.25 1.07 -2.14 -0.01 0.00 0.00 175.02 172.69 1sgf s PRO 225 N -0.22 2.71 0.53 2.03 0.02 -1.26 -4.56 135.00 134.25 1sgf s PRO 225 Ca 0.23 0.88 -0.05 0.00 0.02 0.00 0.00 61.00 62.09 1sgf s PRO 225 Cb -0.12 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1sgf s PRO 225 CO -0.09 -1.24 0.82 0.20 -0.33 0.00 0.00 177.00 176.36 1sgf s GLY 226 N -3.81 1.56 -0.12 0.52 0.00 0.33 -4.68 107.32 101.12 1sgf s GLY 226 Ca 0.59 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1sgf s GLY 226 CO 0.55 -0.48 -0.21 0.14 0.00 0.00 0.00 173.10 173.11 1sgf s VAL 227 N -2.84 2.30 0.08 1.40 1.01 0.11 -1.97 120.40 120.50 1sgf s VAL 227 Ca 0.51 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1sgf s VAL 227 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1sgf s VAL 227 CO 0.44 0.55 -0.26 -0.31 0.00 0.00 0.00 175.10 175.51 1sgf s TYR 228 N 0.51 2.28 0.10 5.22 1.51 0.55 -1.89 117.35 125.62 1sgf s TYR 228 Ca -0.13 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.22 1sgf s TYR 228 Cb -0.17 -1.31 -0.08 0.00 -0.11 0.00 0.00 41.96 40.30 1sgf s TYR 228 CO 0.05 0.22 1.45 0.99 -1.11 0.00 0.00 175.55 177.14 1sgf s THR 229 N -0.92 3.24 -0.67 -0.71 2.01 0.20 0.69 115.64 119.49 1sgf s THR 229 Ca 0.12 0.84 -0.27 0.00 0.31 0.00 0.00 61.69 62.69 1sgf s THR 229 Cb -0.10 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1sgf s THR 229 CO 0.04 0.05 1.34 -0.75 -0.69 0.00 0.00 174.62 174.60 1sgf s LYS 230 N 1.50 3.22 0.53 4.92 2.20 0.58 -2.46 119.74 130.23 1sgf s LYS 230 Ca 0.66 0.04 0.35 0.00 -0.36 0.00 0.00 55.97 56.65 1sgf s LYS 230 Cb -0.37 -4.16 1.60 0.00 -1.51 0.00 0.00 37.83 33.39 1sgf s LYS 230 CO 0.30 -2.08 2.04 -0.07 -0.36 0.00 0.00 175.35 175.17 1sgf h LEU 231 N 13.14 0.00 -0.13 5.43 3.38 -1.74 -3.11 115.31 132.28 1sgf h LEU 231 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1sgf h LEU 231 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1sgf h LEU 231 CO 1.24 0.00 -0.15 -3.20 0.09 0.00 0.00 178.44 176.42 1sgf n ASN 232 N -2.91 0.35 -0.81 -0.43 4.05 -1.26 -2.45 115.26 111.80 1sgf n ASN 232 Ca -0.00 -0.26 0.11 0.00 0.45 0.00 0.00 54.58 54.87 1sgf n ASN 232 Cb 0.21 -0.12 0.29 0.00 1.23 0.00 0.00 39.78 41.39 1sgf n ASN 232 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1sgf n LYS 233 N -1.18 2.05 0.00 1.20 4.81 -1.17 -3.96 118.16 119.91 1sgf n LYS 233 Ca 0.11 -1.59 0.00 0.00 -0.87 0.00 0.00 58.31 55.96 1sgf n LYS 233 Cb 0.30 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1sgf n LYS 233 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1sgf n PHE 234 N 0.81 0.00 0.26 5.64 3.72 -1.07 -4.82 117.46 122.01 1sgf n PHE 234 Ca 0.17 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.65 1sgf n PHE 234 Cb 0.44 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.42 1sgf n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1sgf h THR 235 N 0.30 0.00 0.00 4.37 1.35 -1.61 -1.36 112.91 115.96 1sgf h THR 235 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1sgf h THR 235 Cb 0.15 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1sgf h THR 235 CO 0.00 0.00 -0.11 0.28 -0.25 0.00 0.00 175.52 175.44 1sgf h SER 236 N 0.00 0.00 -0.22 5.36 0.02 -1.89 -3.09 113.55 113.73 1sgf h SER 236 Ca 0.00 -0.57 0.07 0.00 -0.84 0.00 0.00 61.79 60.45 1sgf h SER 236 Cb 0.98 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1sgf h SER 236 CO 0.00 0.85 0.20 -0.25 -1.14 0.00 0.00 176.83 176.48 1sgf h TRP 237 N -1.00 0.00 0.05 3.45 7.01 -1.62 -1.29 115.95 122.55 1sgf h TRP 237 Ca -0.02 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1sgf h TRP 237 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1sgf h TRP 237 CO 0.15 0.00 -0.03 0.82 -2.79 0.00 0.00 178.44 176.59 1sgf h ILE 238 N 0.00 1.16 0.00 2.65 5.03 -1.60 -2.32 117.51 122.42 1sgf h ILE 238 Ca 0.11 -1.60 -0.02 0.00 -0.12 0.00 0.00 64.86 63.23 1sgf h ILE 238 Cb 0.50 2.07 -0.00 0.00 -3.03 0.00 0.00 36.82 36.36 1sgf h ILE 238 CO -0.00 0.35 -0.11 0.11 -0.68 0.00 0.00 178.15 177.82 1sgf h LYS 239 N -0.90 0.00 0.18 2.37 1.57 -1.37 0.10 116.57 118.53 1sgf h LYS 239 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sgf h LYS 239 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1sgf h LYS 239 CO 0.01 0.11 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.48 1sgf h ASP 240 N 0.00 -0.21 -0.03 0.86 5.19 -1.33 -3.31 116.42 117.59 1sgf h ASP 240 Ca -0.00 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1sgf h ASP 240 Cb 0.31 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1sgf h ASP 240 CO 0.01 0.04 0.14 0.74 -3.12 0.00 0.00 179.24 177.06 1sgf h THR 241 N -0.63 0.10 -0.03 0.35 2.02 -1.21 -2.44 112.91 111.06 1sgf h THR 241 Ca -0.03 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.93 1sgf h THR 241 Cb 0.19 0.86 0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1sgf h THR 241 CO 0.04 0.00 -0.84 0.24 0.37 0.00 0.00 175.52 175.33 1sgf h MET 242 N 0.00 0.62 0.10 6.66 2.86 -0.91 -3.32 114.93 120.94 1sgf h MET 242 Ca 0.01 -0.63 -0.26 0.00 -2.06 0.00 0.00 59.70 56.77 1sgf h MET 242 Cb 0.30 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1sgf h MET 242 CO -0.00 1.24 -1.16 0.00 1.06 0.00 0.00 176.91 178.04 1sgf h ALA 243 N 0.40 0.17 -0.70 6.32 0.00 -1.53 -3.32 119.26 120.61 1sgf h ALA 243 Ca -0.10 -0.85 0.20 0.00 0.00 0.00 0.00 54.91 54.16 1sgf h ALA 243 Cb 1.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1sgf h ALA 243 CO 0.17 0.96 0.68 0.87 0.00 0.00 0.00 179.25 181.93 1sgf h LYS 244 N 0.09 0.00 -6.31 0.00 1.57 -1.58 -3.45 116.57 106.89 1sgf h LYS 244 Ca -0.11 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.23 1sgf h LYS 244 Cb 1.88 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.25 1sgf h LYS 244 CO 0.19 0.00 -0.92 0.09 -0.57 0.00 0.00 179.45 178.24 1sgf n ASN 245 N -3.74 -5.28 0.00 0.86 4.13 -1.25 -5.12 115.26 104.85 1sgf n ASN 245 Ca 0.14 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.39 1sgf n ASN 245 Cb 0.93 -3.15 0.00 0.00 -1.54 0.00 0.00 39.78 36.02 1sgf n ASN 245 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89