#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 5.39 -0.09 1.39 -7.23 -0.53 -4.02 120.40 115.32 1sgf s VAL 17 Ca 0.00 0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1sgf s VAL 17 Cb 0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.52 1sgf s VAL 17 CO 0.00 0.51 0.02 0.61 -0.31 0.00 0.00 175.10 175.93 1sgf n GLY 18 N 2.97 0.53 1.63 2.32 0.00 -1.23 -2.39 105.19 109.02 1sgf n GLY 18 Ca -0.17 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.84 3.39 3.26 -0.02 0.00 -1.26 -4.76 105.19 104.95 1sgf n GLY 19 Ca -0.01 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.48 1.67 0.21 1.61 -0.71 -0.26 -4.93 117.98 114.10 1sgf s PHE 20 Ca 0.07 -0.42 -0.32 0.00 -1.04 0.00 0.00 56.93 55.22 1sgf s PHE 20 Cb -0.01 -0.93 -0.13 0.00 -1.21 0.00 0.00 43.02 40.75 1sgf s PHE 20 CO 0.05 0.17 1.63 1.63 -1.34 0.00 0.00 175.22 177.35 1sgf n LYS 21 N 1.19 2.51 -0.56 1.99 4.01 -1.26 -0.27 118.16 125.77 1sgf n LYS 21 Ca -0.20 0.90 -0.28 0.00 -0.51 0.00 0.00 58.31 58.22 1sgf n LYS 21 Cb 0.54 -2.70 0.25 0.00 -0.51 0.00 0.00 35.03 32.61 1sgf n LYS 21 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sgf s GLU 23 N -4.48 3.36 0.00 0.00 2.12 -1.26 -5.00 118.70 113.44 1sgf s GLU 23 Ca 0.68 -1.93 0.00 0.00 0.36 0.00 0.00 54.97 54.08 1sgf s GLU 23 Cb -0.25 -4.45 0.00 0.00 0.26 0.00 0.00 34.13 29.69 1sgf s GLU 23 CO 0.64 -1.44 0.00 1.17 -0.54 0.00 0.00 175.26 175.09 1sgf n LYS 24 N 5.21 0.00 -0.08 4.30 4.81 -1.26 0.38 118.16 131.52 1sgf n LYS 24 Ca 0.05 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.55 1sgf n LYS 24 Cb 0.45 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.75 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 0.00 1.04 -0.36 3.14 3.02 -1.26 -4.34 115.26 116.51 1sgf n ASN 25 Ca 0.00 -1.81 0.09 0.00 -0.03 0.00 0.00 54.58 52.83 1sgf n ASN 25 Cb 0.00 -0.10 0.27 0.00 -0.61 0.00 0.00 39.78 39.34 1sgf n ASN 25 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1sgf h SER 26 N 1.24 0.87 -2.44 6.41 4.64 -0.48 -3.31 113.55 120.49 1sgf h SER 26 Ca 0.00 0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.78 1sgf h SER 26 Cb 0.28 -0.10 -0.42 0.00 -0.31 0.00 0.00 62.40 61.85 1sgf h SER 26 CO 0.00 0.41 -0.61 0.00 -0.87 0.00 0.00 176.83 175.76 1sgf n GLN 27 N -4.66 2.22 0.14 4.77 1.13 -1.26 -4.87 117.38 114.86 1sgf n GLN 27 Ca 0.20 -4.54 0.13 0.00 -1.94 0.00 0.00 57.00 50.85 1sgf n GLN 27 Cb 0.44 -2.21 0.48 0.00 0.11 0.00 0.00 30.24 29.05 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 4.53 0.00 0.00 -1.09 0.11 -1.81 -2.16 132.00 131.59 1sgf h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1sgf h PRO 28 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1sgf h PRO 28 CO 0.78 0.00 -0.08 0.11 -0.21 0.00 0.00 178.00 178.60 1sgf h TRP 29 N 0.00 0.00 -3.18 0.65 0.09 -1.85 -3.24 115.95 108.42 1sgf h TRP 29 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 1sgf h TRP 29 Cb 0.50 0.00 0.03 0.00 0.08 0.00 0.00 29.16 29.77 1sgf h TRP 29 CO 0.00 0.00 0.70 -1.58 0.09 0.00 0.00 178.44 177.65 1sgf s HIS 30 N -3.18 3.23 0.15 0.12 2.46 -0.81 -0.45 115.29 116.80 1sgf s HIS 30 Ca 0.08 1.06 0.06 0.00 0.47 0.00 0.00 55.06 56.73 1sgf s HIS 30 Cb 0.08 -3.66 -0.04 0.00 -0.13 0.00 0.00 32.58 28.83 1sgf s HIS 30 CO 0.65 -2.22 -0.13 0.08 -2.47 0.00 0.00 174.74 170.65 1sgf s VAL 31 N 0.63 1.38 -0.18 0.89 1.01 -0.87 -4.15 120.40 119.10 1sgf s VAL 31 Ca 0.61 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1sgf s VAL 31 Cb -0.37 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1sgf s VAL 31 CO 0.34 -0.53 -0.19 0.00 0.00 0.00 0.00 175.10 174.72 1sgf s ALA 32 N -2.60 2.35 -0.23 5.51 0.00 -0.97 -1.37 121.76 124.45 1sgf s ALA 32 Ca 0.14 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1sgf s ALA 32 Cb -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1sgf s ALA 32 CO 0.03 -0.36 0.43 0.08 0.00 0.00 0.00 175.76 175.94 1sgf s VAL 33 N 1.30 5.16 0.22 0.00 1.01 0.13 -1.48 120.40 126.74 1sgf s VAL 33 Ca 0.05 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1sgf s VAL 33 Cb -0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1sgf s VAL 33 CO -0.13 0.19 0.02 -0.31 0.00 0.00 0.00 175.10 174.87 1sgf s TYR 34 N 1.70 2.80 -0.47 5.22 1.51 -0.29 -1.31 117.35 126.51 1sgf s TYR 34 Ca 0.19 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 1sgf s TYR 34 Cb -0.15 -1.29 0.12 0.00 -0.11 0.00 0.00 41.96 40.53 1sgf s TYR 34 CO 0.09 0.56 0.20 0.50 -1.11 0.00 0.00 175.55 175.79 1sgf s ARG 35 N -3.37 1.84 5.84 -0.62 3.00 0.11 -0.72 118.95 125.03 1sgf s ARG 35 Ca 0.30 -2.42 0.00 0.00 -1.00 0.00 0.00 55.73 52.61 1sgf s ARG 35 Cb -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.59 1sgf s ARG 35 CO 0.20 -1.06 0.00 0.66 0.00 0.00 0.00 175.30 175.09 1sgf n TYR 36 N 3.42 0.00 0.97 5.12 4.01 -1.26 -2.07 117.16 127.36 1sgf n TYR 36 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.89 1sgf n TYR 36 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 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 0.01 -4.20 -0.72 -1.04 -1.26 -4.89 114.28 102.18 1sgf n THR 38 Ca 0.00 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 1sgf n THR 38 Cb 0.00 0.74 -0.08 0.00 -1.82 0.00 0.00 70.33 69.17 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 -3.01 3.16 0.36 -2.82 -0.21 -0.88 -5.08 119.66 111.18 1sgf s GLN 39 Ca 0.09 -0.31 -0.28 0.00 0.02 0.00 0.00 55.36 54.88 1sgf s GLN 39 Cb 0.16 -2.94 -0.11 0.00 1.00 0.00 0.00 33.01 31.13 1sgf s GLN 39 CO 0.82 0.72 1.41 -0.47 -2.12 0.00 0.00 175.29 175.65 1sgf s TYR 40 N -0.92 2.76 0.09 0.91 5.04 -1.26 -0.71 117.35 123.27 1sgf s TYR 40 Ca 0.14 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1sgf s TYR 40 Cb -0.12 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1sgf s TYR 40 CO 0.03 -2.53 0.00 -0.11 -1.34 0.00 0.00 175.55 171.60 1sgf n LEU 41 N 0.55 0.81 -3.83 6.97 7.94 -0.43 -4.80 117.00 124.21 1sgf n LEU 41 Ca 0.01 0.14 -0.07 0.00 -1.11 0.00 0.00 56.01 54.98 1sgf n LEU 41 Cb 0.40 -0.22 0.01 0.00 0.53 0.00 0.00 43.42 44.14 1sgf n LEU 41 CO 0.61 -0.62 0.57 0.00 -1.11 0.00 0.00 177.39 176.84 1sgf n GLY 43 N -0.53 1.40 3.85 0.00 0.00 0.90 0.18 105.19 110.98 1sgf n GLY 43 Ca -0.06 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 1sgf n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgf s GLY 44 N -4.34 0.17 -0.04 -0.02 0.00 -0.47 -4.10 107.32 98.51 1sgf s GLY 44 Ca 0.51 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1sgf s GLY 44 CO 0.33 1.20 -0.06 0.54 0.00 0.00 0.00 173.10 175.12 1sgf s VAL 45 N -2.37 0.60 -0.18 1.40 0.11 0.16 -2.05 120.40 118.07 1sgf s VAL 45 Ca 0.18 -0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1sgf s VAL 45 Cb -0.03 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1sgf s VAL 45 CO 0.07 0.23 0.75 -0.22 -3.33 0.00 0.00 175.10 172.60 1sgf s LEU 46 N 0.76 4.16 -0.18 2.54 2.96 0.40 -0.48 118.68 128.84 1sgf s LEU 46 Ca -0.11 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1sgf s LEU 46 Cb -0.13 -3.10 -0.11 0.00 0.50 0.00 0.00 46.19 43.35 1sgf s LEU 46 CO 0.01 -0.35 -0.18 0.18 -1.32 0.00 0.00 176.35 174.69 1sgf n LEU 47 N 5.17 2.60 -4.05 -0.68 4.77 -1.13 -1.14 117.00 122.54 1sgf n LEU 47 Ca 0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1sgf n LEU 47 Cb 0.49 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1sgf n LEU 47 CO 0.46 0.71 -0.40 -0.62 -1.33 0.00 0.00 177.39 176.21 1sgf s ASP 48 N -5.97 0.82 0.48 -1.43 2.15 -1.13 -4.53 116.67 107.06 1sgf s ASP 48 Ca -0.25 -0.51 0.32 0.00 0.43 0.00 0.00 52.55 52.54 1sgf s ASP 48 Cb 0.07 0.03 1.43 0.00 -0.30 0.00 0.00 42.92 44.15 1sgf s ASP 48 CO 0.40 -0.18 1.71 -0.65 -0.17 0.00 0.00 175.17 176.27 1sgf h PRO 49 N 4.62 0.12 -1.04 4.34 0.11 -1.96 -0.42 132.00 137.77 1sgf h PRO 49 Ca -0.35 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.18 1sgf h PRO 49 Cb 1.20 -0.03 -0.42 0.00 0.11 0.00 0.00 31.00 31.86 1sgf h PRO 49 CO 0.41 0.08 -0.75 0.27 -0.21 0.00 0.00 178.00 177.81 1sgf n ASN 50 N -4.41 4.91 -3.64 -2.05 2.04 -1.26 -0.29 115.26 110.57 1sgf n ASN 50 Ca 0.31 -3.74 -0.05 0.00 -0.44 0.00 0.00 54.58 50.66 1sgf n ASN 50 Cb 1.31 -0.40 -0.06 0.00 -2.53 0.00 0.00 39.78 38.10 1sgf n ASN 50 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1sgf s TRP 51 N -3.59 -1.08 0.12 -2.53 0.52 -0.17 -3.38 118.94 108.83 1sgf s TRP 51 Ca 0.50 2.07 0.10 0.00 0.02 0.00 0.00 56.10 58.80 1sgf s TRP 51 Cb 0.41 0.65 -0.04 0.00 -1.15 0.00 0.00 33.47 33.34 1sgf s TRP 51 CO -0.05 -0.53 -0.26 0.08 0.02 0.00 0.00 176.95 176.21 1sgf s VAL 52 N 1.91 2.13 -0.08 4.03 1.01 0.15 -2.83 120.40 126.72 1sgf s VAL 52 Ca -0.09 -1.68 0.05 0.00 0.00 0.00 0.00 61.98 60.25 1sgf s VAL 52 Cb -0.06 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1sgf s VAL 52 CO -0.19 0.08 -0.23 -0.22 0.00 0.00 0.00 175.10 174.53 1sgf s LEU 53 N -1.96 2.05 0.35 3.92 2.96 0.37 0.04 118.68 126.40 1sgf s LEU 53 Ca 0.12 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1sgf s LEU 53 Cb -0.10 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1sgf s LEU 53 CO 0.05 0.18 0.40 0.28 -1.32 0.00 0.00 176.35 175.94 1sgf s THR 54 N 0.20 0.00 0.45 3.68 -1.32 -0.42 -0.67 115.64 117.56 1sgf s THR 54 Ca -0.14 -1.76 -0.21 0.00 -1.21 0.00 0.00 61.69 58.37 1sgf s THR 54 Cb -0.16 -2.61 -0.10 0.00 -1.51 0.00 0.00 72.50 68.12 1sgf s THR 54 CO 0.07 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 173.47 1sgf s ALA 55 N -3.14 2.97 0.22 11.08 0.00 -1.26 -0.57 121.76 131.06 1sgf s ALA 55 Ca 0.35 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1sgf s ALA 55 Cb 0.01 -3.20 0.17 0.00 0.00 0.00 0.00 23.12 20.10 1sgf s ALA 55 CO 0.24 -0.07 1.81 0.00 0.00 0.00 0.00 175.76 177.75 1sgf h ALA 56 N 1.76 1.05 0.00 0.00 0.00 -1.73 -2.80 119.26 117.54 1sgf h ALA 56 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1sgf h ALA 56 Cb 1.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sgf h ALA 56 CO 0.60 0.61 0.00 -2.39 0.00 0.00 0.00 179.25 178.07 1sgf n HIS 57 N -4.34 0.00 -0.31 0.00 1.44 -1.26 -1.62 115.22 109.13 1sgf n HIS 57 Ca 0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 1sgf n HIS 57 Cb 0.14 0.00 0.32 0.00 0.12 0.00 0.00 29.99 30.57 1sgf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgf s TYR 59 N -1.30 1.36 0.00 0.00 5.04 -0.64 -4.94 117.35 116.87 1sgf s TYR 59 Ca 0.47 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1sgf s TYR 59 Cb 0.27 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1sgf s TYR 59 CO 0.29 -5.00 0.00 -3.47 -1.34 0.00 0.00 175.55 166.04 1sgf n ASP 60 N 8.39 0.26 -0.72 4.32 -0.08 -1.26 -5.04 116.55 122.43 1sgf n ASP 60 Ca 0.22 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.56 1sgf n ASP 60 Cb 0.42 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.07 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 0.00 3.28 -3.64 1.67 5.68 -1.26 -4.96 116.55 117.32 1sgf n ASP 61 Ca 0.00 -2.42 -0.08 0.00 -0.50 0.00 0.00 54.79 51.79 1sgf n ASP 61 Cb 0.00 -0.35 -0.07 0.00 -1.14 0.00 0.00 41.12 39.56 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 -1.39 -0.59 -0.16 -1.12 3.04 -1.26 -5.12 114.94 108.34 1sgf s ASN 63 Ca 0.30 1.06 -0.01 0.00 0.04 0.00 0.00 52.86 54.25 1sgf s ASN 63 Cb 0.21 1.14 0.05 0.00 -1.54 0.00 0.00 41.25 41.10 1sgf s ASN 63 CO 0.12 -0.18 -0.02 -0.31 -3.04 0.00 0.00 177.10 173.68 1sgf s TYR 64 N 0.71 1.33 0.19 0.43 2.02 -1.26 -4.28 117.35 116.49 1sgf s TYR 64 Ca -0.02 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1sgf s TYR 64 Cb -0.05 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 1sgf s TYR 64 CO -0.09 -0.57 0.34 0.15 -1.57 0.00 0.00 175.55 173.81 1sgf s LYS 65 N 1.76 3.47 -0.11 -0.62 1.02 0.10 -1.92 119.74 123.44 1sgf s LYS 65 Ca 0.01 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 1sgf s LYS 65 Cb -0.15 -2.90 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1sgf s LYS 65 CO -0.07 0.45 0.01 0.08 -0.92 0.00 0.00 175.35 174.90 1sgf s VAL 66 N -1.84 0.42 -0.20 3.17 1.01 0.67 -1.13 120.40 122.50 1sgf s VAL 66 Ca 0.36 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1sgf s VAL 66 Cb -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1sgf s VAL 66 CO 0.29 0.14 0.47 0.86 0.00 0.00 0.00 175.10 176.85 1sgf s TRP 67 N 1.94 3.37 -0.06 5.22 -0.11 -0.55 -1.09 118.94 127.66 1sgf s TRP 67 Ca 0.03 0.70 0.04 0.00 1.22 0.00 0.00 56.10 58.09 1sgf s TRP 67 Cb -0.14 -2.61 -0.02 0.00 -1.50 0.00 0.00 33.47 29.20 1sgf s TRP 67 CO -0.06 -0.07 -0.17 -0.51 -4.62 0.00 0.00 176.95 171.52 1sgf s LEU 68 N 1.53 2.58 -0.41 5.86 1.43 -0.62 -2.29 118.68 126.77 1sgf s LEU 68 Ca 0.22 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1sgf s LEU 68 Cb -0.15 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1sgf s LEU 68 CO 0.09 0.30 0.34 0.61 0.23 0.00 0.00 176.35 177.93 1sgf n GLY 69 N 2.59 0.26 3.45 -3.19 0.00 -1.26 -1.42 105.19 105.62 1sgf n GLY 69 Ca -0.17 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.71 2.04 -0.03 1.61 -0.14 -1.26 -4.13 119.74 113.11 1sgf s LYS 70 Ca 0.05 -1.00 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1sgf s LYS 70 Cb -0.02 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1sgf s LYS 70 CO 0.24 0.53 -0.02 0.09 -0.76 0.00 0.00 175.35 175.43 1sgf n ASN 71 N 1.52 3.88 -3.76 2.83 4.13 -1.26 -4.90 115.26 117.70 1sgf n ASN 71 Ca -0.16 -0.01 -0.22 0.00 1.68 0.00 0.00 54.58 55.87 1sgf n ASN 71 Cb 0.52 0.04 -0.18 0.00 -1.54 0.00 0.00 39.78 38.62 1sgf n ASN 71 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1sgf s ASN 72 N -4.13 1.41 0.38 6.41 3.84 -1.26 -1.51 114.94 120.08 1sgf s ASN 72 Ca -0.03 -0.05 0.27 0.00 0.21 0.00 0.00 52.86 53.26 1sgf s ASN 72 Cb 0.01 -0.37 1.34 0.00 -0.55 0.00 0.00 41.25 41.68 1sgf s ASN 72 CO 0.06 -0.20 1.81 -0.07 -2.79 0.00 0.00 177.10 175.92 1sgf h LEU 73 N 8.26 0.00 -2.44 3.21 3.38 -1.67 -2.73 115.31 123.32 1sgf h LEU 73 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sgf h LEU 73 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1sgf h LEU 73 CO 0.26 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.28 1sgf n PHE 74 N -2.45 0.20 -3.75 1.13 3.01 -1.26 -5.02 117.46 109.32 1sgf n PHE 74 Ca -0.01 -0.35 -0.20 0.00 1.01 0.00 0.00 57.45 57.90 1sgf n PHE 74 Cb 0.11 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.87 3.05 -0.71 -1.08 1.02 -1.03 -5.06 119.74 115.06 1sgf s LYS 75 Ca 0.12 -1.04 -0.22 0.00 0.02 0.00 0.00 55.97 54.85 1sgf s LYS 75 Cb 0.07 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1sgf s LYS 75 CO 0.09 0.19 1.01 0.34 -0.92 0.00 0.00 175.35 176.06 1sgf s ASP 77 N -4.04 6.24 -0.31 2.83 2.15 -1.26 -4.93 116.67 117.34 1sgf s ASP 77 Ca 0.40 -1.14 -0.00 0.00 0.43 0.00 0.00 52.55 52.24 1sgf s ASP 77 Cb -0.08 -2.42 0.07 0.00 -0.30 0.00 0.00 42.92 40.18 1sgf s ASP 77 CO 0.29 -1.40 0.02 -1.61 -0.17 0.00 0.00 175.17 172.29 1sgf s GLU 78 N 3.95 2.20 0.25 4.34 2.02 -1.26 -4.98 118.70 125.22 1sgf s GLU 78 Ca 0.25 -1.45 -0.00 0.00 0.02 0.00 0.00 54.97 53.79 1sgf s GLU 78 Cb -0.14 -3.19 0.32 0.00 0.10 0.00 0.00 34.13 31.21 1sgf s GLU 78 CO 0.07 -0.72 1.68 -1.35 0.02 0.00 0.00 175.26 174.96 1sgf h PRO 79 N 7.91 0.58 0.00 0.39 0.11 -1.95 -3.03 132.00 136.01 1sgf h PRO 79 Ca -0.17 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1sgf h PRO 79 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1sgf h PRO 79 CO 0.54 0.78 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 1sgf n SER 79 N -4.11 0.48 -3.76 -2.05 3.41 -1.26 -4.74 113.62 101.59 1sgf n SER 79 Ca -0.00 0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 59.02 1sgf n SER 79 Cb 0.42 -0.78 0.24 0.00 -0.26 0.00 0.00 64.21 63.83 1sgf n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgf s ALA 80 N -3.44 0.93 0.20 7.33 0.00 -1.15 -4.86 121.76 120.77 1sgf s ALA 80 Ca -0.01 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1sgf s ALA 80 Cb 0.06 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1sgf s ALA 80 CO 0.18 -3.43 0.46 -0.65 0.00 0.00 0.00 175.76 172.32 1sgf s GLN 81 N -5.58 1.36 -0.14 0.00 -0.21 -0.51 -5.01 119.66 109.58 1sgf s GLN 81 Ca 0.73 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 55.05 1sgf s GLN 81 Cb -0.07 0.48 0.07 0.00 1.00 0.00 0.00 33.01 34.49 1sgf s GLN 81 CO 0.55 -0.56 0.29 -3.38 -2.12 0.00 0.00 175.29 170.07 1sgf s HIS 82 N -3.92 -0.50 0.15 0.91 -3.43 -1.26 -1.59 115.29 105.66 1sgf s HIS 82 Ca 0.13 1.07 0.10 0.00 -0.80 0.00 0.00 55.06 55.56 1sgf s HIS 82 Cb -0.00 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 1sgf s HIS 82 CO -0.00 -0.39 -0.21 1.03 -2.00 0.00 0.00 174.74 173.17 1sgf s ARG 83 N 2.46 1.65 0.30 -0.38 1.81 -0.25 -4.96 118.95 119.56 1sgf s ARG 83 Ca 0.01 -1.33 -0.02 0.00 -1.72 0.00 0.00 55.73 52.67 1sgf s ARG 83 Cb -0.12 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1sgf s ARG 83 CO -0.09 0.44 0.51 -0.06 -0.68 0.00 0.00 175.30 175.43 1sgf s PHE 84 N -1.33 3.49 -0.19 -0.53 0.08 -1.26 -0.23 117.98 118.00 1sgf s PHE 84 Ca 0.19 0.44 -0.07 0.00 0.12 0.00 0.00 56.93 57.61 1sgf s PHE 84 Cb -0.09 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1sgf s PHE 84 CO 0.10 0.19 0.05 0.08 -0.10 0.00 0.00 175.22 175.54 1sgf s VAL 85 N -2.14 4.57 -0.12 -0.44 1.01 -0.81 -0.22 120.40 122.26 1sgf s VAL 85 Ca 0.41 -0.11 0.21 0.00 0.00 0.00 0.00 61.98 62.49 1sgf s VAL 85 Cb -0.10 -3.07 -0.21 0.00 0.00 0.00 0.00 36.38 33.00 1sgf s VAL 85 CO 0.33 0.44 0.62 -1.54 0.00 0.00 0.00 175.10 174.95 1sgf n SER 86 N 3.80 0.34 -3.74 3.32 3.41 0.30 -4.76 113.62 116.29 1sgf n SER 86 Ca -0.17 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1sgf n SER 86 Cb 0.52 1.21 -0.10 0.00 -0.26 0.00 0.00 64.21 65.57 1sgf n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1sgf s LYS 87 N -3.26 0.42 -0.11 4.33 2.20 -1.13 -5.01 119.74 117.19 1sgf s LYS 87 Ca -0.06 0.54 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1sgf s LYS 87 Cb 0.11 0.18 -0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1sgf s LYS 87 CO 0.85 -0.07 -0.22 0.00 -0.36 0.00 0.00 175.35 175.56 1sgf s ALA 88 N 0.34 2.26 -0.31 3.13 0.00 -1.26 -0.30 121.76 125.62 1sgf s ALA 88 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1sgf s ALA 88 Cb -0.03 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 22.28 1sgf s ALA 88 CO -0.01 0.26 0.07 0.42 0.00 0.00 0.00 175.76 176.50 1sgf s ILE 89 N 0.38 1.19 0.15 0.00 -1.09 0.18 -5.00 121.20 117.01 1sgf s ILE 89 Ca -0.17 -1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 56.61 1sgf s ILE 89 Cb -0.17 -1.85 -0.06 0.00 -1.58 0.00 0.00 42.46 38.79 1sgf s ILE 89 CO 0.08 -0.60 0.48 -2.84 -1.23 0.00 0.00 174.94 170.83 1sgf s PRO 90 N 1.47 3.82 0.34 2.79 0.02 -1.26 -0.78 135.00 141.39 1sgf s PRO 90 Ca 0.08 0.26 -0.29 0.00 0.02 0.00 0.00 61.00 61.08 1sgf s PRO 90 Cb -0.18 -2.86 -0.11 0.00 0.02 0.00 0.00 34.50 31.38 1sgf s PRO 90 CO -0.20 0.45 1.46 -1.58 -0.33 0.00 0.00 177.00 176.80 1sgf s HIS 91 N -1.57 2.77 -0.73 6.54 2.46 -0.96 -4.85 115.29 118.94 1sgf s HIS 91 Ca 0.40 1.15 0.14 0.00 0.47 0.00 0.00 55.06 57.21 1sgf s HIS 91 Cb -0.13 -3.93 0.64 0.00 -0.13 0.00 0.00 32.58 29.03 1sgf s HIS 91 CO 0.20 -2.79 1.43 -2.30 -2.47 0.00 0.00 174.74 168.81 1sgf n PRO 92 N 1.01 0.07 0.19 2.88 -0.02 -1.26 -1.96 135.00 135.90 1sgf n PRO 92 Ca 0.02 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1sgf n PRO 92 Cb 0.40 -1.67 0.27 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.29 0.00 -5.17 -1.23 0.00 -1.89 -3.44 103.07 92.63 1sgf h GLY 93 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1sgf h GLY 93 CO 0.00 0.00 0.82 -0.12 0.00 0.00 0.00 176.54 177.24 1sgf s PHE 94 N -3.20 3.27 -0.84 5.60 5.36 -0.83 -4.47 117.98 122.86 1sgf s PHE 94 Ca 0.08 1.39 -0.25 0.00 -0.96 0.00 0.00 56.93 57.19 1sgf s PHE 94 Cb 0.07 -3.35 -0.06 0.00 -0.34 0.00 0.00 43.02 39.34 1sgf s PHE 94 CO 0.64 -0.63 2.05 1.21 -1.46 0.00 0.00 175.22 177.02 1sgf s ASN 95 N 1.34 4.87 0.00 6.13 3.84 -1.26 -4.80 114.94 125.06 1sgf s ASN 95 Ca 0.45 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 53.19 1sgf s ASN 95 Cb -0.15 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.32 1sgf s ASN 95 CO 0.08 -2.95 0.79 0.80 -2.79 0.00 0.00 177.10 173.03 1sgf n MET 95 N 8.88 0.17 0.11 0.43 0.00 -1.26 -1.10 117.12 124.34 1sgf n MET 95 Ca 0.40 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 58.20 1sgf n MET 95 Cb 0.47 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.65 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 -1.00 0.51 -1.98 6.12 7.64 -1.26 -1.68 113.62 121.98 1sgf n SER 95 Ca 0.04 0.64 -0.19 0.00 1.01 0.00 0.00 58.87 60.37 1sgf n SER 95 Cb 0.02 -0.74 0.15 0.00 -1.01 0.00 0.00 64.21 62.62 1sgf n SER 95 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sgf n LEU 95 N -2.08 5.99 0.00 -3.43 4.77 -0.26 -5.28 117.00 116.70 1sgf n LEU 95 Ca 0.02 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1sgf n LEU 95 Cb 0.19 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1sgf n LEU 95 CO 0.17 0.93 0.00 1.15 -1.33 0.00 0.00 177.39 178.31 1sgf n MET 95 N -0.80 0.00 -1.33 3.23 -0.00 -0.67 -4.87 117.12 112.68 1sgf n MET 95 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.18 1sgf n MET 95 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 34.66 1sgf n MET 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1sgf n PHE 95 N -1.88 -3.42 0.00 3.17 7.35 -1.26 -4.81 117.46 116.61 1sgf n PHE 95 Ca 0.00 1.78 0.00 0.00 -0.76 0.00 0.00 57.45 58.47 1sgf n PHE 95 Cb 0.00 -3.06 0.00 0.00 0.35 0.00 0.00 39.48 36.77 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 0.24 0.00 -3.76 -2.13 4.77 -1.26 -4.99 117.00 109.87 1sgf n LEU 95 Ca 0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 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 0.00 2.28 -0.62 -1.33 0.00 0.00 177.39 177.72 1sgf n GLU 96 N -0.11 3.48 -1.99 3.23 1.02 -1.26 -4.42 120.64 120.59 1sgf n GLU 96 Ca 0.00 -3.18 -0.31 0.00 -0.02 0.00 0.00 57.16 53.64 1sgf n GLU 96 Cb 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.42 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 1.16 3.56 -0.34 -0.32 1.51 -1.26 -4.61 117.35 117.05 1sgf s TYR 97 Ca 0.44 1.34 0.02 0.00 -1.01 0.00 0.00 57.07 57.87 1sgf s TYR 97 Cb 0.12 -2.75 0.10 0.00 -0.11 0.00 0.00 41.96 39.33 1sgf s TYR 97 CO -0.03 -0.64 0.08 0.34 -1.11 0.00 0.00 175.55 174.19 1sgf s ASP 98 N -3.89 4.48 -0.51 2.29 2.15 -1.26 -2.33 116.67 117.61 1sgf s ASP 98 Ca 0.56 -2.07 -0.01 0.00 0.43 0.00 0.00 52.55 51.46 1sgf s ASP 98 Cb -0.11 -1.38 0.39 0.00 -0.30 0.00 0.00 42.92 41.52 1sgf s ASP 98 CO 0.48 -0.38 1.98 -1.22 -0.17 0.00 0.00 175.17 175.87 1sgf n TYR 99 N 4.34 2.58 0.00 -5.34 4.01 -1.26 -4.76 117.16 116.73 1sgf n TYR 99 Ca 0.02 -2.45 0.00 0.00 -0.16 0.00 0.00 57.90 55.31 1sgf n TYR 99 Cb 0.41 -1.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 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 -0.51 0.00 -3.54 7.72 7.64 -1.26 -3.48 113.62 120.19 1sgf n SER 100 Ca 0.50 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 60.23 1sgf n SER 100 Cb 0.77 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.51 6.08 -4.51 6.43 3.02 -1.26 -4.82 115.26 119.69 1sgf n ASN 101 Ca 0.00 -2.72 -0.42 0.00 -0.03 0.00 0.00 54.58 51.41 1sgf n ASN 101 Cb 0.00 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.53 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 2.73 6.57 -0.12 6.41 -1.08 -1.23 -3.80 116.67 126.16 1sgf s ASP 102 Ca 0.57 -1.74 -0.22 0.00 -0.52 0.00 0.00 52.55 50.65 1sgf s ASP 102 Cb 0.16 -2.49 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1sgf s ASP 102 CO -0.08 -1.30 0.54 -0.22 0.52 0.00 0.00 175.17 174.63 1sgf s LEU 103 N 3.93 -0.08 -0.21 -1.34 2.96 -1.26 -4.18 118.68 118.51 1sgf s LEU 103 Ca 0.40 0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 54.93 1sgf s LEU 103 Cb -0.02 1.97 0.06 0.00 0.50 0.00 0.00 46.19 48.70 1sgf s LEU 103 CO -0.10 -0.38 0.54 -0.32 -1.32 0.00 0.00 176.35 174.77 1sgf s MET 104 N -0.53 0.57 -0.13 1.98 -2.45 0.27 -2.27 119.30 116.74 1sgf s MET 104 Ca -0.06 0.88 -0.08 0.00 -1.25 0.00 0.00 55.69 55.18 1sgf s MET 104 Cb -0.03 0.16 -0.04 0.00 1.25 0.00 0.00 34.83 36.16 1sgf s MET 104 CO 0.04 -0.12 0.15 -0.51 1.05 0.00 0.00 175.02 175.64 1sgf s LEU 105 N 0.99 4.35 -0.30 4.11 1.43 0.04 -1.31 118.68 128.00 1sgf s LEU 105 Ca -0.06 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1sgf s LEU 105 Cb -0.06 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.15 1sgf s LEU 105 CO -0.09 0.35 0.02 -0.22 0.23 0.00 0.00 176.35 176.64 1sgf s LEU 106 N -0.70 3.52 -0.12 1.79 2.96 0.11 -0.64 118.68 125.59 1sgf s LEU 106 Ca 0.14 -1.71 -0.26 0.00 -0.22 0.00 0.00 54.13 52.07 1sgf s LEU 106 Cb -0.12 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1sgf s LEU 106 CO 0.03 -0.33 0.86 -0.60 -1.32 0.00 0.00 176.35 175.00 1sgf s ARG 107 N 1.20 4.37 0.60 1.98 3.52 0.59 -0.68 118.95 130.53 1sgf s ARG 107 Ca 0.04 1.12 -0.16 0.00 -0.13 0.00 0.00 55.73 56.60 1sgf s ARG 107 Cb -0.19 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 1sgf s ARG 107 CO -0.11 -0.24 1.07 -0.51 -0.81 0.00 0.00 175.30 174.70 1sgf s LEU 108 N 1.81 3.49 0.00 -0.88 1.43 -1.22 -0.53 118.68 122.78 1sgf s LEU 108 Ca 0.42 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1sgf s LEU 108 Cb -0.17 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.51 1sgf s LEU 108 CO 0.16 -1.26 0.34 -0.24 0.23 0.00 0.00 176.35 175.58 1sgf n SER 109 N -2.07 0.00 -4.69 2.29 2.88 0.69 -4.52 113.62 108.20 1sgf n SER 109 Ca 0.09 0.51 -0.35 0.00 -1.33 0.00 0.00 58.87 57.79 1sgf n SER 109 Cb 0.53 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.27 3.51 0.78 -1.46 -2.85 -1.26 -5.00 119.74 112.19 1sgf s LYS 110 Ca 0.00 -0.33 -0.15 0.00 -1.00 0.00 0.00 55.97 54.49 1sgf s LYS 110 Cb 0.00 -3.04 -0.01 0.00 -2.06 0.00 0.00 37.83 32.72 1sgf s LYS 110 CO 0.00 0.52 0.60 -2.30 0.10 0.00 0.00 175.35 174.28 1sgf n PRO 111 N 2.73 0.19 -2.43 1.78 -0.02 -1.26 -4.82 135.00 131.18 1sgf n PRO 111 Ca -0.18 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.01 1sgf n PRO 111 Cb 0.53 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.02 3.42 -0.84 3.55 0.00 0.60 -4.93 121.76 121.54 1sgf s ALA 112 Ca 0.65 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 53.33 1sgf s ALA 112 Cb -0.32 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.54 1sgf s ALA 112 CO 0.59 -0.26 1.11 0.34 0.00 0.00 0.00 175.76 177.54 1sgf s ASP 113 N -0.42 6.45 -0.01 0.00 2.15 -1.26 -4.84 116.67 118.73 1sgf s ASP 113 Ca 0.48 -1.58 -0.31 0.00 0.43 0.00 0.00 52.55 51.57 1sgf s ASP 113 Cb -0.32 -2.43 -0.10 0.00 -0.30 0.00 0.00 42.92 39.77 1sgf s ASP 113 CO 0.39 -1.26 1.95 -0.38 -0.17 0.00 0.00 175.17 175.70 1sgf n ILE 114 N 5.83 0.71 -1.98 4.11 2.08 -1.26 -4.77 119.36 124.08 1sgf n ILE 114 Ca 0.15 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1sgf n ILE 114 Cb 0.48 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 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 5.44 0.00 0.10 1.39 -2.24 -0.75 -5.00 114.28 113.22 1sgf n THR 115 Ca 0.21 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.84 1sgf n THR 115 Cb 0.37 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.39 -0.02 3.42 5.19 -1.97 -3.31 116.42 120.12 1sgf h ASP 116 Ca 0.00 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1sgf h ASP 116 Cb 0.00 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1sgf h ASP 116 CO 0.00 1.33 -0.02 0.35 -3.12 0.00 0.00 179.24 177.78 1sgf n THR 117 N -3.52 0.00 -3.55 0.35 -2.24 -1.26 -4.69 114.28 99.38 1sgf n THR 117 Ca -0.08 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 1sgf n THR 117 Cb 1.02 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 70.10 1sgf n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sgf s VAL 118 N -2.03 0.24 -0.03 2.28 1.01 -1.25 -4.23 120.40 116.39 1sgf s VAL 118 Ca 0.32 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1sgf s VAL 118 Cb 0.20 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1sgf s VAL 118 CO 0.33 -0.84 -0.09 -0.54 0.00 0.00 0.00 175.10 173.96 1sgf s LYS 119 N 1.51 1.04 0.41 2.72 -0.14 -1.23 -1.80 119.74 122.25 1sgf s LYS 119 Ca 0.13 -0.31 -0.23 0.00 -1.36 0.00 0.00 55.97 54.21 1sgf s LYS 119 Cb -0.20 -0.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.90 1sgf s LYS 119 CO -0.18 0.10 0.98 -2.14 -0.76 0.00 0.00 175.35 173.35 1sgf s PRO 120 N 0.28 4.24 -0.06 -1.68 0.02 -1.26 -2.83 135.00 133.71 1sgf s PRO 120 Ca -0.05 1.29 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 1sgf s PRO 120 Cb -0.10 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 1sgf s PRO 120 CO 0.01 -0.04 0.01 -1.50 -0.33 0.00 0.00 177.00 175.15 1sgf s ILE 121 N -1.90 4.31 0.30 2.83 2.07 -0.29 -4.97 121.20 123.55 1sgf s ILE 121 Ca 0.59 -0.34 -0.25 0.00 -1.41 0.00 0.00 60.65 59.24 1sgf s ILE 121 Cb -0.15 -2.85 -0.09 0.00 0.13 0.00 0.00 42.46 39.49 1sgf s ILE 121 CO 0.20 0.53 0.89 -0.89 -1.91 0.00 0.00 174.94 173.76 1sgf s THR 122 N -0.96 4.29 0.73 4.00 2.01 -1.26 -4.51 115.64 119.94 1sgf s THR 122 Ca 0.16 1.71 -0.13 0.00 0.31 0.00 0.00 61.69 63.74 1sgf s THR 122 Cb -0.11 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.45 1sgf s THR 122 CO 0.05 0.17 1.11 -0.76 -0.69 0.00 0.00 174.62 174.50 1sgf s LEU 123 N -2.01 3.19 0.75 4.42 1.43 -1.26 -4.44 118.68 120.76 1sgf s LEU 123 Ca 0.48 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 1sgf s LEU 123 Cb -0.18 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.54 1sgf s LEU 123 CO 0.23 -1.92 1.11 -2.84 0.23 0.00 0.00 176.35 173.16 1sgf s PRO 124 N -4.49 2.26 0.00 1.29 0.02 -1.26 -4.94 135.00 127.89 1sgf s PRO 124 Ca 0.65 1.34 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1sgf s PRO 124 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1sgf s PRO 124 CO 0.49 -1.66 0.00 0.25 -0.33 0.00 0.00 177.00 175.75 1sgf n THR 125 N -3.19 0.00 -1.52 0.99 -2.24 -1.26 -4.97 114.28 102.09 1sgf n THR 125 Ca 0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1sgf n THR 125 Cb 0.52 -0.32 0.18 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.47 0.36 -0.13 -0.78 2.56 -1.26 -5.09 118.70 112.88 1sgf s GLU 128 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.97 54.97 1sgf s GLU 128 Cb 0.00 -1.77 0.03 0.00 2.00 0.00 0.00 34.13 34.39 1sgf s GLU 128 CO 0.00 -2.67 -0.04 -2.00 -0.56 0.00 0.00 175.26 169.98 1sgf s GLU 129 N -5.48 1.27 0.54 4.30 2.12 -1.26 -4.87 118.70 115.32 1sgf s GLU 129 Ca 0.68 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 55.50 1sgf s GLU 129 Cb -0.10 -1.69 -0.07 0.00 0.26 0.00 0.00 34.13 32.53 1sgf s GLU 129 CO 0.54 -0.37 0.97 -0.35 -0.54 0.00 0.00 175.26 175.52 1sgf n PRO 130 N 4.96 1.08 -4.05 4.30 -0.04 -1.26 -5.02 135.00 134.97 1sgf n PRO 130 Ca -0.11 0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 1sgf n PRO 130 Cb 0.49 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 1sgf n PRO 130 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1sgf s LYS 131 N -2.48 2.99 0.67 0.54 -2.85 -1.26 -5.10 119.74 112.25 1sgf s LYS 131 Ca 0.71 -0.78 -0.12 0.00 -1.00 0.00 0.00 55.97 54.78 1sgf s LYS 131 Cb -0.46 -2.72 -0.00 0.00 -2.06 0.00 0.00 37.83 32.59 1sgf s LYS 131 CO 0.51 0.51 1.06 -0.51 0.10 0.00 0.00 175.35 177.02 1sgf s LEU 132 N -2.95 3.20 0.00 2.77 1.43 -1.26 -3.02 118.68 118.85 1sgf s LEU 132 Ca 0.31 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1sgf s LEU 132 Cb -0.11 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1sgf s LEU 132 CO 0.24 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 176.05 1sgf n GLY 133 N -1.81 3.05 3.65 -3.19 0.00 -0.92 -4.97 105.19 101.01 1sgf n GLY 133 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 0.03 2.29 -4.69 1.61 7.64 -1.17 -4.63 113.62 114.70 1sgf n SER 134 Ca 0.00 1.17 -0.39 0.00 1.01 0.00 0.00 58.87 60.65 1sgf n SER 134 Cb 0.00 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 61.75 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 -0.56 5.08 0.08 0.44 2.01 -1.26 -1.53 115.64 119.90 1sgf s THR 135 Ca 0.63 1.18 0.07 0.00 0.31 0.00 0.00 61.69 63.88 1sgf s THR 135 Cb -0.66 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 1sgf s THR 135 CO 0.55 0.21 -0.13 0.00 -0.69 0.00 0.00 174.62 174.57 1sgf s LEU 137 N -1.92 3.11 -0.01 0.00 2.96 -0.14 0.14 118.68 122.81 1sgf s LEU 137 Ca 0.19 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1sgf s LEU 137 Cb -0.11 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1sgf s LEU 137 CO 0.10 0.29 -0.01 0.00 -1.32 0.00 0.00 176.35 175.42 1sgf s ALA 138 N -0.95 0.20 0.30 5.97 0.00 -0.47 -1.18 121.76 125.62 1sgf s ALA 138 Ca 0.16 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1sgf s ALA 138 Cb -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 1sgf s ALA 138 CO 0.06 -0.02 -0.04 -1.54 0.00 0.00 0.00 175.76 174.22 1sgf s SER 139 N 0.49 2.87 0.00 0.00 1.04 -1.25 -0.74 113.70 116.11 1sgf s SER 139 Ca -0.05 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1sgf s SER 139 Cb -0.07 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1sgf s SER 139 CO -0.01 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1sgf n GLY 140 N -0.65 3.13 1.10 7.32 0.00 -0.64 -4.57 105.19 110.88 1sgf n GLY 140 Ca -0.05 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.94 0.95 -0.39 1.61 8.01 -1.26 -3.07 117.44 122.36 1sgf n TRP 141 Ca 0.00 -0.36 0.00 0.00 -1.31 0.00 0.00 57.50 55.83 1sgf n TRP 141 Cb 0.00 -0.22 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 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 0.63 -2.54 3.76 6.99 0.00 -1.24 -2.00 105.19 110.78 1sgf n GLY 142 Ca 0.15 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1sgf n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgf s SER 143 N -1.56 5.09 0.00 1.61 0.15 -0.97 -2.68 113.70 115.34 1sgf s SER 143 Ca 0.00 2.20 0.08 0.00 0.70 0.00 0.00 55.95 58.92 1sgf s SER 143 Cb 0.00 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1sgf s SER 143 CO 0.00 -1.65 0.79 2.30 1.20 0.00 0.00 173.24 175.88 1sgf n ILE 144 N -2.03 0.11 -5.06 6.45 -5.35 -1.07 0.97 119.36 113.39 1sgf n ILE 144 Ca 0.12 -0.56 -0.32 0.00 -0.27 0.00 0.00 62.75 61.72 1sgf n ILE 144 Cb 0.51 1.09 -0.15 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.68 2.55 0.02 7.28 -4.23 -1.26 -4.65 115.64 114.67 1sgf s THR 145 Ca 0.10 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.46 1sgf s THR 145 Cb 0.07 -1.98 -0.15 0.00 1.34 0.00 0.00 72.50 71.78 1sgf s THR 145 CO 0.10 0.57 1.19 -0.65 -0.54 0.00 0.00 174.62 175.28 1sgf h PRO 146 N 6.02 -0.92 0.00 3.99 0.11 -1.93 -3.43 132.00 135.83 1sgf h PRO 146 Ca -0.34 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1sgf h PRO 146 Cb 1.18 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1sgf h PRO 146 CO 0.50 -0.61 0.00 -2.37 -0.21 0.00 0.00 178.00 175.31 1sgf n THR 147 N -5.08 0.00 -1.77 -1.15 5.66 -1.26 -3.17 114.28 107.51 1sgf n THR 147 Ca -0.12 0.47 -0.30 0.00 -3.05 0.00 0.00 64.05 61.05 1sgf n THR 147 Cb 0.38 -1.01 0.06 0.00 -1.55 0.00 0.00 70.33 68.20 1sgf n THR 147 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1sgf s LYS 148 N -0.39 2.71 -0.30 1.09 -2.85 -1.26 -4.90 119.74 113.84 1sgf s LYS 148 Ca 0.00 0.57 -0.11 0.00 -1.00 0.00 0.00 55.97 55.42 1sgf s LYS 148 Cb 0.00 -2.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.73 1sgf s LYS 148 CO 0.00 -1.16 0.20 -0.06 0.10 0.00 0.00 175.35 174.43 1sgf s PHE 149 N -3.27 3.22 -0.39 1.78 0.08 -1.26 -4.65 117.98 113.49 1sgf s PHE 149 Ca 0.59 0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.68 1sgf s PHE 149 Cb -0.12 -2.40 0.11 0.00 -0.57 0.00 0.00 43.02 40.03 1sgf s PHE 149 CO 0.53 -0.23 0.11 -0.65 -0.10 0.00 0.00 175.22 174.88 1sgf s GLN 150 N 1.74 1.60 0.72 0.44 -0.21 -1.26 -5.06 119.66 117.63 1sgf s GLN 150 Ca 0.07 -2.06 -0.12 0.00 0.02 0.00 0.00 55.36 53.27 1sgf s GLN 150 Cb -0.16 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.66 1sgf s GLN 150 CO 0.11 -0.99 1.08 -0.06 -2.12 0.00 0.00 175.29 173.31 1sgf s PHE 151 N 0.59 2.76 0.09 0.91 0.40 -1.26 -2.58 117.98 118.89 1sgf s PHE 151 Ca 0.13 1.52 0.04 0.00 -0.60 0.00 0.00 56.93 58.01 1sgf s PHE 151 Cb -0.21 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1sgf s PHE 151 CO -0.06 -1.58 0.06 0.95 0.70 0.00 0.00 175.22 175.29 1sgf s THR 152 N -2.82 4.37 -0.04 0.64 -4.23 -0.85 -4.90 115.64 107.81 1sgf s THR 152 Ca 0.61 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 60.18 1sgf s THR 152 Cb -0.17 -3.12 -0.29 0.00 1.34 0.00 0.00 72.50 70.27 1sgf s THR 152 CO 0.52 0.09 0.68 0.44 -0.54 0.00 0.00 174.62 175.82 1sgf h ASP 153 N 3.21 0.49 -3.72 3.99 3.32 -1.93 -3.45 116.42 118.34 1sgf h ASP 153 Ca -0.47 -0.77 -0.49 0.00 0.02 0.00 0.00 57.03 55.31 1sgf h ASP 153 Cb 1.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1sgf h ASP 153 CO 0.64 1.66 0.11 -1.81 -1.72 0.00 0.00 179.24 178.11 1sgf s ASP 154 N -7.11 6.82 -0.46 6.45 1.01 -1.26 -1.67 116.67 120.45 1sgf s ASP 154 Ca -0.14 1.31 -0.27 0.00 0.71 0.00 0.00 52.55 54.16 1sgf s ASP 154 Cb 0.06 -2.39 0.03 0.00 1.01 0.00 0.00 42.92 41.63 1sgf s ASP 154 CO 0.84 -0.18 1.01 -0.22 0.21 0.00 0.00 175.17 176.84 1sgf s LEU 155 N -2.85 3.86 0.40 1.23 2.96 -0.57 -4.72 118.68 118.98 1sgf s LEU 155 Ca 0.53 0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 1sgf s LEU 155 Cb -0.11 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1sgf s LEU 155 CO 0.18 -1.11 0.71 -0.31 -1.32 0.00 0.00 176.35 174.49 1sgf s TYR 156 N 4.01 3.50 0.03 5.38 1.51 -1.17 -0.76 117.35 129.85 1sgf s TYR 156 Ca 0.42 0.82 0.05 0.00 -1.01 0.00 0.00 57.07 57.35 1sgf s TYR 156 Cb -0.09 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1sgf s TYR 156 CO 0.27 -0.07 -0.15 0.00 -1.11 0.00 0.00 175.55 174.49 1sgf s VAL 158 N -0.80 0.02 -0.34 0.00 0.11 0.09 -1.10 120.40 118.38 1sgf s VAL 158 Ca 0.02 -0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 1sgf s VAL 158 Cb -0.08 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1sgf s VAL 158 CO 0.01 -0.09 0.18 0.54 -3.33 0.00 0.00 175.10 172.40 1sgf s ASN 159 N -0.29 5.65 0.43 3.54 2.20 -1.26 -1.37 114.94 123.84 1sgf s ASN 159 Ca -0.04 -0.68 0.07 0.00 -0.94 0.00 0.00 52.86 51.27 1sgf s ASN 159 Cb -0.03 -2.02 -0.03 0.00 -2.00 0.00 0.00 41.25 37.17 1sgf s ASN 159 CO 0.01 -0.27 0.29 -0.76 -2.94 0.00 0.00 177.10 173.43 1sgf s LEU 160 N 1.60 3.17 -0.12 3.54 1.43 0.12 -4.92 118.68 123.50 1sgf s LEU 160 Ca 0.04 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1sgf s LEU 160 Cb -0.18 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1sgf s LEU 160 CO 0.07 -0.66 -0.04 -0.54 0.23 0.00 0.00 176.35 175.41 1sgf s LYS 161 N -4.04 3.36 -0.57 1.70 1.02 -0.55 -0.35 119.74 120.30 1sgf s LYS 161 Ca 0.43 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.64 1sgf s LYS 161 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1sgf s LYS 161 CO 0.24 0.41 1.46 -1.17 -0.92 0.00 0.00 175.35 175.37 1sgf s LEU 162 N -0.11 3.38 0.52 3.17 2.96 -0.58 -1.57 118.68 126.45 1sgf s LEU 162 Ca 0.02 0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1sgf s LEU 162 Cb -0.13 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1sgf s LEU 162 CO 0.02 -1.78 0.78 -0.76 -1.32 0.00 0.00 176.35 173.30 1sgf s LEU 163 N 6.33 3.44 0.38 -0.68 1.43 -0.32 -2.15 118.68 127.11 1sgf s LEU 163 Ca 0.53 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.84 1sgf s LEU 163 Cb -0.11 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1sgf s LEU 163 CO 0.24 -0.89 1.12 -2.84 0.23 0.00 0.00 176.35 174.22 1sgf s PRO 164 N -4.76 4.18 0.45 1.29 0.02 -1.26 -4.19 135.00 130.72 1sgf s PRO 164 Ca 0.51 1.73 0.21 0.00 0.02 0.00 0.00 61.00 63.47 1sgf s PRO 164 Cb -0.10 -2.71 1.15 0.00 0.02 0.00 0.00 34.50 32.86 1sgf s PRO 164 CO 0.41 -0.18 1.60 -0.91 -0.33 0.00 0.00 177.00 177.59 1sgf h ASN 165 N 2.77 0.00 1.39 2.53 -0.26 -1.92 0.25 115.58 120.33 1sgf h ASN 165 Ca -0.48 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.23 1sgf h ASN 165 Cb 1.22 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.48 1sgf h ASN 165 CO 0.63 0.00 -0.15 -0.33 -1.06 0.00 0.00 177.43 176.52 1sgf h GLU 166 N 0.00 0.00 0.00 0.81 5.08 -1.99 -2.83 114.58 115.65 1sgf h GLU 166 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1sgf h GLU 166 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1sgf h GLU 166 CO 0.00 0.15 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.23 1sgf h ASP 167 N 0.00 0.00 0.08 1.42 3.32 -1.31 -2.61 116.42 117.33 1sgf h ASP 167 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1sgf h ASP 167 Cb 0.88 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.44 1sgf h ASP 167 CO 0.02 0.49 -0.48 0.00 -1.72 0.00 0.00 179.24 177.55 1sgf h ALA 169 N 0.05 1.37 0.49 0.00 0.00 -1.50 0.09 119.26 119.76 1sgf h ALA 169 Ca -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1sgf h ALA 169 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1sgf h ALA 169 CO 0.09 0.16 -0.24 -0.22 0.00 0.00 0.00 179.25 179.04 1sgf h LYS 170 N 0.00 -0.64 0.10 0.00 3.64 -1.57 -3.36 116.57 114.73 1sgf h LYS 170 Ca -0.00 0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.15 1sgf h LYS 170 Cb 0.32 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1sgf h LYS 170 CO 0.02 -0.34 -1.33 0.00 -2.27 0.00 0.00 179.45 175.53 1sgf h ALA 171 N -0.52 0.24 -2.69 5.00 0.00 -1.55 -3.46 119.26 116.27 1sgf h ALA 171 Ca -0.07 -1.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.27 1sgf h ALA 171 Cb 0.59 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1sgf h ALA 171 CO 0.11 1.11 -0.02 -1.01 0.00 0.00 0.00 179.25 179.44 1sgf s HIS 172 N -2.65 3.80 -0.64 0.00 3.76 -0.00 -4.96 115.29 114.60 1sgf s HIS 172 Ca -0.05 1.29 0.25 0.00 -0.15 0.00 0.00 55.06 56.40 1sgf s HIS 172 Cb 0.07 -2.51 0.62 0.00 1.11 0.00 0.00 32.58 31.88 1sgf s HIS 172 CO 0.86 0.57 1.66 0.82 -0.85 0.00 0.00 174.74 177.80 1sgf h ILE 173 N 3.46 0.00 -3.04 0.60 2.04 -1.88 -3.45 117.51 115.24 1sgf h ILE 173 Ca -0.49 -0.61 -0.61 0.00 1.00 0.00 0.00 64.86 64.15 1sgf h ILE 173 Cb 1.21 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1sgf h ILE 173 CO 0.64 0.00 -0.19 -1.61 0.00 0.00 0.00 178.15 176.99 1sgf s GLU 174 N -3.14 3.95 0.05 2.37 8.01 -1.26 -4.34 118.70 124.33 1sgf s GLU 174 Ca 0.09 0.43 -0.37 0.00 0.01 0.00 0.00 54.97 55.13 1sgf s GLU 174 Cb 0.11 -3.23 -0.17 0.00 -4.31 0.00 0.00 34.13 26.53 1sgf s GLU 174 CO 0.64 0.68 1.36 1.63 0.01 0.00 0.00 175.26 179.57 1sgf n LYS 175 N 1.86 1.08 -4.14 1.61 5.02 -0.98 -4.92 118.16 117.68 1sgf n LYS 175 Ca -0.14 0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 1sgf n LYS 175 Cb 0.52 -2.03 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 1sgf n LYS 175 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sgf s VAL 176 N 0.75 3.59 0.38 -0.18 1.01 -1.26 -4.72 120.40 119.97 1sgf s VAL 176 Ca 0.86 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1sgf s VAL 176 Cb -0.98 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1sgf s VAL 176 CO 0.49 0.45 0.16 1.07 0.00 0.00 0.00 175.10 177.26 1sgf n THR 177 N 4.29 0.00 -0.34 3.92 5.66 -1.26 -4.95 114.28 121.59 1sgf n THR 177 Ca -0.18 -2.27 0.29 0.00 -3.05 0.00 0.00 64.05 58.85 1sgf n THR 177 Cb 0.52 0.86 0.55 0.00 -1.55 0.00 0.00 70.33 70.70 1sgf n THR 177 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1sgf h ASP 178 N 1.60 0.39 -0.36 1.09 1.82 -1.99 0.21 116.42 119.18 1sgf h ASP 178 Ca -0.29 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1sgf h ASP 178 Cb 1.15 0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1sgf h ASP 178 CO 0.46 -0.29 0.00 0.00 -1.61 0.00 0.00 179.24 177.80 1sgf n ALA 179 N -2.30 3.34 -2.44 -0.78 0.00 -1.26 -4.92 120.51 112.15 1sgf n ALA 179 Ca 0.35 -1.18 -0.27 0.00 0.00 0.00 0.00 53.44 52.35 1sgf n ALA 179 Cb 1.18 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.07 1.42 -0.07 0.00 -1.94 0.75 -1.29 119.30 116.10 1sgf s MET 180 Ca 0.34 -1.14 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 1sgf s MET 180 Cb 0.26 -1.68 -0.01 0.00 2.01 0.00 0.00 34.83 35.40 1sgf s MET 180 CO 0.10 0.41 -0.21 -1.17 -0.01 0.00 0.00 175.02 174.14 1sgf s LEU 181 N -1.60 2.29 -0.20 -0.03 2.96 0.16 -4.72 118.68 117.53 1sgf s LEU 181 Ca 0.10 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1sgf s LEU 181 Cb -0.10 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1sgf s LEU 181 CO 0.04 0.25 0.06 0.00 -1.32 0.00 0.00 176.35 175.38 1sgf s ALA 183 N 0.67 -0.88 0.00 0.00 0.00 -0.88 -1.18 121.76 119.50 1sgf s ALA 183 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1sgf s ALA 183 Cb -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1sgf s ALA 183 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1sgf n GLY 184 N 1.80 -0.48 3.14 0.00 0.00 -0.61 -1.53 105.19 107.52 1sgf n GLY 184 Ca -0.19 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 1.14 0.00 1.61 2.56 -1.26 -1.48 118.70 119.27 1sgf s GLU 185 Ca 0.00 -0.63 0.26 0.00 0.00 0.00 0.00 54.97 54.59 1sgf s GLU 185 Cb 0.00 -1.13 0.65 0.00 2.00 0.00 0.00 34.13 35.65 1sgf s GLU 185 CO 0.00 0.30 1.51 -1.33 -0.56 0.00 0.00 175.26 175.18 1sgf n MET 186 N 2.39 0.17 0.06 4.30 2.81 -1.26 -3.39 117.12 122.20 1sgf n MET 186 Ca -0.16 -0.09 -0.05 0.00 -1.81 0.00 0.00 57.70 55.59 1sgf n MET 186 Cb 0.55 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 1sgf n MET 186 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1sgf h ASP 186 N 0.22 0.00 -4.89 7.83 3.32 -1.96 -3.12 116.42 117.82 1sgf h ASP 186 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sgf h ASP 186 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1sgf h ASP 186 CO 0.00 0.89 0.00 0.61 -1.72 0.00 0.00 179.24 179.02 1sgf n GLY 186 N 1.36 1.67 0.00 2.75 0.00 -1.22 -4.41 105.19 105.34 1sgf n GLY 186 Ca -0.03 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.60 0.97 2.89 -0.02 0.00 -0.86 -4.95 105.19 104.81 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 -1.59 0.00 0.00 0.00 173.32 171.73 1sgf s LYS 188 N 0.00 0.75 -0.27 1.61 -2.85 -1.26 -3.56 119.74 114.16 1sgf s LYS 188 Ca 0.00 -0.09 -0.27 0.00 -1.00 0.00 0.00 55.97 54.61 1sgf s LYS 188 Cb 0.00 -0.77 0.17 0.00 -2.06 0.00 0.00 37.83 35.16 1sgf s LYS 188 CO 0.00 -0.08 1.26 0.34 0.10 0.00 0.00 175.35 176.98 1sgf s ASP 189 N 0.87 -0.19 1.19 0.03 2.15 -1.01 -4.07 116.67 115.64 1sgf s ASP 189 Ca -0.11 0.30 -0.13 0.00 0.43 0.00 0.00 52.55 53.04 1sgf s ASP 189 Cb -0.14 0.28 0.30 0.00 -0.30 0.00 0.00 42.92 43.06 1sgf s ASP 189 CO 0.00 -0.10 1.02 0.42 -0.17 0.00 0.00 175.17 176.34 1sgf s THR 190 N -0.37 1.99 0.34 1.71 -4.23 -1.26 -1.46 115.64 112.35 1sgf s THR 190 Ca 0.05 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.48 1sgf s THR 190 Cb -0.03 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1sgf s THR 190 CO -0.09 0.00 0.58 0.00 -0.54 0.00 0.00 174.62 174.57 1sgf n LYS 192 N -0.52 0.00 -0.02 0.00 3.00 -1.26 -1.17 118.16 118.19 1sgf n LYS 192 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1sgf n LYS 192 Cb 0.61 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 2.70 0.26 0.17 3.14 0.00 -1.26 -2.30 105.19 107.90 1sgf n GLY 193 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 1.07 -4.62 1.61 8.00 -0.32 -3.68 116.55 118.61 1sgf n ASP 194 Ca 0.00 -0.86 -0.39 0.00 0.71 0.00 0.00 54.79 54.25 1sgf n ASP 194 Cb 0.00 0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.96 1.16 0.00 -2.24 7.64 -1.26 -2.21 113.62 115.75 1sgf n SER 195 Ca 0.08 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1sgf n SER 195 Cb 0.36 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 1.19 2.41 3.74 0.23 0.00 -0.67 -0.07 105.19 112.03 1sgf n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.98 1.60 0.32 -0.02 0.00 -0.94 -3.12 107.32 103.18 1sgf s GLY 197 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 1sgf s GLY 197 CO 0.00 -0.02 0.56 -4.14 0.00 0.00 0.00 173.10 169.50 1sgf s PRO 198 N -5.34 3.56 -0.41 2.90 0.02 -1.26 -1.43 135.00 133.03 1sgf s PRO 198 Ca 0.67 -0.14 0.02 0.00 0.02 0.00 0.00 61.00 61.57 1sgf s PRO 198 Cb -0.13 -2.64 0.14 0.00 0.02 0.00 0.00 34.50 31.89 1sgf s PRO 198 CO 0.55 0.16 0.23 -1.17 -0.33 0.00 0.00 177.00 176.44 1sgf s LEU 199 N -3.94 2.22 -0.51 -5.54 2.96 -0.24 -3.92 118.68 109.71 1sgf s LEU 199 Ca 0.42 -2.50 -0.20 0.00 -0.22 0.00 0.00 54.13 51.63 1sgf s LEU 199 Cb -0.10 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.78 1sgf s LEU 199 CO 0.34 -0.28 0.69 -0.63 -1.32 0.00 0.00 176.35 175.15 1sgf s ILE 200 N 0.55 4.77 -0.49 6.68 1.01 -0.33 -1.62 121.20 131.77 1sgf s ILE 200 Ca 0.18 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1sgf s ILE 200 Cb -0.24 -4.34 0.06 0.00 0.01 0.00 0.00 42.46 37.95 1sgf s ILE 200 CO 0.00 -0.85 0.56 0.00 0.00 0.00 0.00 174.94 174.65 1sgf n ASP 202 N 5.91 -7.01 0.00 0.00 8.00 -1.01 -3.28 116.55 119.16 1sgf n ASP 202 Ca -0.08 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1sgf n ASP 202 Cb 0.45 -5.07 0.00 0.00 -0.02 0.00 0.00 41.12 36.48 1sgf n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgf n GLY 207 N -1.49 1.44 3.63 0.44 0.00 -1.26 -4.91 105.19 103.03 1sgf n GLY 207 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.28 4.75 0.09 1.61 1.01 -1.20 -5.05 120.40 121.33 1sgf s VAL 208 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1sgf s VAL 208 Cb 0.00 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 1sgf s VAL 208 CO 0.00 0.46 1.53 -0.22 0.00 0.00 0.00 175.10 176.87 1sgf s LEU 209 N 0.39 4.36 0.00 3.92 2.96 -1.26 -1.02 118.68 128.03 1sgf s LEU 209 Ca 0.03 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1sgf s LEU 209 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1sgf s LEU 209 CO 0.00 -0.79 0.00 0.00 -1.32 0.00 0.00 176.35 174.24 1sgf n GLN 210 N 4.79 1.61 -3.50 1.98 1.13 -0.71 -4.15 117.38 118.52 1sgf n GLN 210 Ca 0.14 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 1sgf n GLN 210 Cb 0.41 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.90 1sgf n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sgf n GLY 211 N 1.88 1.65 3.09 1.08 0.00 -0.64 -1.27 105.19 110.98 1sgf n GLY 211 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 1sgf n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgf s ILE 212 N -2.49 0.86 -0.26 -0.61 1.01 -1.10 -1.08 121.20 117.53 1sgf s ILE 212 Ca 0.19 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 1sgf s ILE 212 Cb -0.03 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1sgf s ILE 212 CO 0.14 -0.08 1.19 -0.89 0.00 0.00 0.00 174.94 175.30 1sgf s THR 213 N -0.87 4.36 0.00 2.92 2.01 -0.52 -0.27 115.64 123.27 1sgf s THR 213 Ca -0.01 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.57 1sgf s THR 213 Cb -0.07 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1sgf s THR 213 CO 0.01 -0.35 0.00 -0.24 -0.69 0.00 0.00 174.62 173.34 1sgf n SER 214 N 6.98 0.00 -4.32 3.53 2.88 -1.13 -1.66 113.62 119.90 1sgf n SER 214 Ca 0.13 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.42 1sgf n SER 214 Cb 0.46 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.19 1.86 0.00 0.66 1.48 -0.86 -4.89 118.94 117.00 1sgf s TRP 215 Ca 0.00 -1.13 0.00 0.00 -1.06 0.00 0.00 56.10 53.91 1sgf s TRP 215 Cb 0.00 -1.28 0.00 0.00 -1.16 0.00 0.00 33.47 31.03 1sgf s TRP 215 CO 0.00 -0.12 0.00 0.41 -4.06 0.00 0.00 176.95 173.18 1sgf n GLY 216 N -0.91 1.58 3.33 3.67 0.00 -1.26 -1.08 105.19 110.53 1sgf n GLY 216 Ca -0.07 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.80 2.38 -0.18 1.61 2.46 -1.26 -5.00 115.29 113.50 1sgf s HIS 217 Ca 0.00 -0.40 -0.02 0.00 0.47 0.00 0.00 55.06 55.11 1sgf s HIS 217 Cb 0.00 -1.51 -0.01 0.00 -0.13 0.00 0.00 32.58 30.93 1sgf s HIS 217 CO 0.00 -0.00 -0.10 0.99 -2.47 0.00 0.00 174.74 173.16 1sgf s THR 218 N -0.63 3.06 0.47 0.89 2.01 -1.26 -3.09 115.64 117.10 1sgf s THR 218 Ca 0.10 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1sgf s THR 218 Cb -0.10 -2.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 1sgf s THR 218 CO -0.01 0.48 1.36 -2.84 -0.69 0.00 0.00 174.62 172.92 1sgf s PRO 219 N 0.99 3.57 0.49 4.92 0.02 -1.26 -5.10 135.00 138.63 1sgf s PRO 219 Ca -0.01 2.25 -0.19 0.00 0.02 0.00 0.00 61.00 63.07 1sgf s PRO 219 Cb -0.15 -2.52 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 1sgf s PRO 219 CO -0.01 -0.85 0.99 0.00 -0.33 0.00 0.00 177.00 176.80 1sgf n GLY 221 N -0.87 -0.16 3.83 0.00 0.00 -1.26 -4.67 105.19 102.06 1sgf n GLY 221 Ca 0.08 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.31 4.12 0.33 1.61 2.12 -1.26 -2.03 118.70 118.28 1sgf s GLU 222 Ca 0.20 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.91 1sgf s GLU 222 Cb -0.09 -2.97 -0.11 0.00 0.26 0.00 0.00 34.13 31.22 1sgf s GLU 222 CO 0.25 0.48 1.49 -2.14 -0.54 0.00 0.00 175.26 174.80 1sgf s PRO 222 N -1.81 4.16 -0.52 4.30 0.02 -1.26 -2.11 135.00 137.78 1sgf s PRO 222 Ca 0.38 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1sgf s PRO 222 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1sgf s PRO 222 CO 0.20 -0.50 0.00 -0.25 -0.33 0.00 0.00 177.00 176.11 1sgf n ASP 223 N 1.16 -4.14 -3.67 2.53 9.92 -1.18 -4.97 116.55 116.20 1sgf n ASP 223 Ca 0.03 0.12 -0.28 0.00 -0.53 0.00 0.00 54.79 54.13 1sgf n ASP 223 Cb 0.39 -2.07 -0.12 0.00 -0.64 0.00 0.00 41.12 38.68 1sgf n ASP 223 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1sgf s MET 224 N -1.90 1.64 0.86 -1.24 -1.94 -0.90 -4.71 119.30 111.12 1sgf s MET 224 Ca 0.00 -2.61 -0.12 0.00 -1.71 0.00 0.00 55.69 51.25 1sgf s MET 224 Cb 0.00 -2.46 0.10 0.00 2.01 0.00 0.00 34.83 34.48 1sgf s MET 224 CO 0.00 -1.30 1.11 -2.14 -0.01 0.00 0.00 175.02 172.69 1sgf s PRO 225 N -0.52 1.60 0.40 2.03 0.02 -1.26 -4.53 135.00 132.74 1sgf s PRO 225 Ca 0.26 0.51 -0.01 0.00 0.02 0.00 0.00 61.00 61.78 1sgf s PRO 225 Cb -0.06 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1sgf s PRO 225 CO -0.14 -1.93 0.63 0.20 -0.33 0.00 0.00 177.00 175.43 1sgf s GLY 226 N -3.91 1.42 -0.15 0.52 0.00 -0.58 -4.69 107.32 99.94 1sgf s GLY 226 Ca 0.62 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 44.48 1sgf s GLY 226 CO 0.54 -0.75 -0.13 0.14 0.00 0.00 0.00 173.10 172.90 1sgf s VAL 227 N -2.46 2.96 0.25 1.40 1.01 -0.24 -2.06 120.40 121.26 1sgf s VAL 227 Ca 0.43 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.83 1sgf s VAL 227 Cb -0.10 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1sgf s VAL 227 CO 0.38 0.51 -0.09 -0.31 0.00 0.00 0.00 175.10 175.59 1sgf s TYR 228 N 0.59 2.54 -0.26 5.22 1.51 0.77 -2.03 117.35 125.68 1sgf s TYR 228 Ca -0.08 -0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 55.44 1sgf s TYR 228 Cb -0.16 -1.14 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1sgf s TYR 228 CO 0.03 0.63 0.99 0.99 -1.11 0.00 0.00 175.55 177.07 1sgf s THR 229 N -2.24 4.68 -0.49 -0.71 2.01 0.63 0.36 115.64 119.88 1sgf s THR 229 Ca 0.29 1.79 -0.28 0.00 0.31 0.00 0.00 61.69 63.80 1sgf s THR 229 Cb -0.06 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.16 1sgf s THR 229 CO 0.17 -0.24 1.62 -0.75 -0.69 0.00 0.00 174.62 174.72 1sgf s LYS 230 N 3.22 3.19 0.48 4.92 2.20 -0.41 -2.72 119.74 130.64 1sgf s LYS 230 Ca 0.42 0.82 0.28 0.00 -0.36 0.00 0.00 55.97 57.12 1sgf s LYS 230 Cb -0.14 -4.19 1.07 0.00 -1.51 0.00 0.00 37.83 33.06 1sgf s LYS 230 CO 0.09 -2.05 1.88 -0.07 -0.36 0.00 0.00 175.35 174.85 1sgf h LEU 231 N 13.88 0.00 -1.46 5.43 3.38 -1.51 -3.25 115.31 131.78 1sgf h LEU 231 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1sgf h LEU 231 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1sgf h LEU 231 CO 1.14 0.13 -0.02 -1.13 0.09 0.00 0.00 178.44 178.65 1sgf h ASN 232 N 0.00 0.30 0.00 -0.43 -0.00 -1.90 -1.04 115.58 112.51 1sgf h ASN 232 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1sgf h ASN 232 Cb 0.66 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.91 1sgf h ASN 232 CO 0.02 0.37 0.00 1.17 -0.00 0.00 0.00 177.43 178.99 1sgf n LYS 233 N -4.34 0.95 0.00 6.67 4.81 -1.23 -3.44 118.16 121.58 1sgf n LYS 233 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sgf n LYS 233 Cb 0.21 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.03 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 -0.73 0.00 0.26 5.64 3.72 -0.42 -4.81 117.46 121.12 1sgf n PHE 234 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1sgf n PHE 234 Cb 0.05 0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.22 0.00 0.02 4.37 1.35 -1.52 0.87 112.91 118.21 1sgf h THR 235 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.58 1sgf h THR 235 Cb 0.11 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.06 1sgf h THR 235 CO 0.00 0.00 -1.59 0.28 -0.25 0.00 0.00 175.52 173.96 1sgf h SER 236 N 0.00 0.05 0.02 5.36 0.02 -1.87 -3.27 113.55 113.86 1sgf h SER 236 Ca 0.00 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 1sgf h SER 236 Cb 0.43 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1sgf h SER 236 CO 0.00 1.09 -0.55 -0.25 -1.14 0.00 0.00 176.83 175.97 1sgf h TRP 237 N 0.01 0.71 0.29 3.45 7.01 -1.19 -2.65 115.95 123.58 1sgf h TRP 237 Ca -0.24 -0.25 -0.01 0.00 2.11 0.00 0.00 58.89 60.49 1sgf h TRP 237 Cb 1.97 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.90 1sgf h TRP 237 CO 0.01 0.99 -0.14 0.82 -2.79 0.00 0.00 178.44 177.33 1sgf h ILE 238 N 0.44 0.75 0.00 2.65 1.08 -1.56 -1.40 117.51 119.47 1sgf h ILE 238 Ca 0.01 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1sgf h ILE 238 Cb 1.10 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1sgf h ILE 238 CO 0.11 0.07 -0.38 0.50 -0.69 0.00 0.00 178.15 177.76 1sgf h LYS 239 N -0.55 0.00 0.17 2.37 1.63 -1.64 -0.41 116.57 118.14 1sgf h LYS 239 Ca -0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1sgf h LYS 239 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1sgf h LYS 239 CO 0.06 0.38 -0.08 0.22 -3.45 0.00 0.00 179.45 176.58 1sgf h ASP 240 N 0.00 -0.19 0.78 4.20 1.82 -1.40 -0.56 116.42 121.07 1sgf h ASP 240 Ca -0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1sgf h ASP 240 Cb 0.74 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1sgf h ASP 240 CO 0.05 0.25 0.00 0.35 -1.61 0.00 0.00 179.24 178.28 1sgf n THR 241 N -4.99 0.74 0.02 2.25 -2.24 -0.53 -1.36 114.28 108.17 1sgf n THR 241 Ca -0.09 0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 1sgf n THR 241 Cb 0.25 -0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 67.41 1sgf n THR 241 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1sgf h MET 242 N 0.00 0.17 0.00 -0.78 4.05 -0.95 -3.34 114.93 114.08 1sgf h MET 242 Ca 0.00 -0.29 -0.16 0.00 -0.28 0.00 0.00 59.70 58.97 1sgf h MET 242 Cb 0.39 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1sgf h MET 242 CO 0.00 0.95 -0.74 0.00 0.23 0.00 0.00 176.91 177.35 1sgf h ALA 243 N 0.56 0.71 -0.03 0.39 0.00 -0.45 -2.80 119.26 117.64 1sgf h ALA 243 Ca -0.29 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1sgf h ALA 243 Cb 2.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1sgf h ALA 243 CO 0.12 0.93 0.00 1.63 0.00 0.00 0.00 179.25 181.92 1sgf n LYS 244 N -3.56 1.12 -3.48 0.00 5.02 -0.46 -4.90 118.16 111.90 1sgf n LYS 244 Ca -0.00 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.01 1sgf n LYS 244 Cb 0.74 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1sgf n LYS 244 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1sgf n ASN 245 N -0.57 -0.49 0.00 4.39 6.94 -1.06 -5.07 115.26 119.41 1sgf n ASN 245 Ca 0.13 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1sgf n ASN 245 Cb 0.10 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 1sgf n ASN 245 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58