#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgf n SER 26 N 0.00 0.00 -4.02 6.41 7.64 -1.26 -4.65 113.62 117.74 1sgf n SER 26 Ca 0.00 0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 1sgf n SER 26 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1sgf n SER 26 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1sgf s GLN 27 N -0.11 2.67 0.42 1.43 -0.21 -1.26 -4.95 119.66 117.65 1sgf s GLN 27 Ca 0.00 -3.04 0.29 0.00 0.02 0.00 0.00 55.36 52.63 1sgf s GLN 27 Cb 0.00 -3.65 1.20 0.00 1.00 0.00 0.00 33.01 31.56 1sgf s GLN 27 CO 0.00 -1.23 1.86 -1.35 -2.12 0.00 0.00 175.29 172.45 1sgf h PRO 28 N 6.11 0.00 0.00 2.91 0.11 -1.83 -3.06 132.00 136.25 1sgf h PRO 28 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1sgf h PRO 28 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1sgf h PRO 28 CO 0.76 0.00 -0.19 0.11 -0.21 0.00 0.00 178.00 178.47 1sgf h TRP 29 N 0.00 0.00 -3.72 0.65 0.09 -1.85 -2.99 115.95 108.13 1sgf h TRP 29 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.42 1sgf h TRP 29 Cb 0.44 0.00 0.13 0.00 0.08 0.00 0.00 29.16 29.80 1sgf h TRP 29 CO 0.00 0.11 0.56 1.58 0.09 0.00 0.00 178.44 180.79 1sgf n HIS 30 N -3.10 2.32 -3.99 0.12 -0.00 -1.16 -1.55 115.22 107.87 1sgf n HIS 30 Ca 0.03 0.47 -0.08 0.00 0.46 0.00 0.00 57.72 58.60 1sgf n HIS 30 Cb 0.58 -2.40 -0.10 0.00 -0.12 0.00 0.00 29.99 27.95 1sgf n HIS 30 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1sgf s VAL 31 N -1.21 0.17 -0.15 3.57 0.11 -0.52 -4.35 120.40 118.01 1sgf s VAL 31 Ca 0.62 -1.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1sgf s VAL 31 Cb -0.48 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1sgf s VAL 31 CO 0.57 -0.75 -0.08 0.00 -3.33 0.00 0.00 175.10 171.50 1sgf s ALA 32 N -3.15 2.79 -0.57 1.54 0.00 -0.78 -1.55 121.76 120.05 1sgf s ALA 32 Ca -0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1sgf s ALA 32 Cb 0.02 -1.42 0.14 0.00 0.00 0.00 0.00 23.12 21.86 1sgf s ALA 32 CO -0.07 0.12 0.47 0.08 0.00 0.00 0.00 175.76 176.37 1sgf s VAL 33 N 0.54 4.73 -0.64 0.00 1.01 0.39 -1.01 120.40 125.42 1sgf s VAL 33 Ca -0.06 -1.90 -0.26 0.00 0.00 0.00 0.00 61.98 59.76 1sgf s VAL 33 Cb -0.15 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1sgf s VAL 33 CO 0.03 -0.86 1.80 -0.47 0.00 0.00 0.00 175.10 175.60 1sgf s TYR 34 N 1.13 1.73 -0.10 5.22 5.04 0.13 -2.70 117.35 127.79 1sgf s TYR 34 Ca 0.08 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.40 1sgf s TYR 34 Cb -0.24 -4.15 0.13 0.00 0.35 0.00 0.00 41.96 38.05 1sgf s TYR 34 CO -0.01 -2.27 1.38 0.54 -1.34 0.00 0.00 175.55 173.85 1sgf n ARG 35 N 9.20 1.28 0.00 4.97 1.74 -1.26 -2.00 116.66 130.60 1sgf n ARG 35 Ca 0.19 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 1sgf n ARG 35 Cb 0.52 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1sgf n ARG 35 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sgf n PHE 36 N 0.35 0.00 0.53 -1.55 3.01 -1.26 -1.97 117.46 116.56 1sgf n PHE 36 Ca 0.13 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.66 1sgf n PHE 36 Cb 0.70 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.48 1sgf n PHE 36 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1sgf n ASN 38 N 7.11 0.00 -4.84 4.37 4.05 -1.26 -4.82 115.26 119.87 1sgf n ASN 38 Ca 0.00 0.42 -0.22 0.00 0.45 0.00 0.00 54.58 55.23 1sgf n ASN 38 Cb 0.00 -0.46 -0.04 0.00 1.23 0.00 0.00 39.78 40.51 1sgf n ASN 38 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1sgf s LYS 39 N -2.91 2.46 0.17 1.20 1.02 -0.83 -5.06 119.74 115.77 1sgf s LYS 39 Ca 0.08 -1.61 -0.32 0.00 0.02 0.00 0.00 55.97 54.14 1sgf s LYS 39 Cb 0.09 -2.27 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 1sgf s LYS 39 CO 0.25 -0.16 1.76 2.48 -0.92 0.00 0.00 175.35 178.76 1sgf n TYR 40 N -1.45 2.66 -1.56 3.18 4.11 -1.26 -4.41 117.16 118.43 1sgf n TYR 40 Ca 0.02 -0.01 -0.47 0.00 -0.00 0.00 0.00 57.90 57.44 1sgf n TYR 40 Cb 0.62 -2.68 -0.05 0.00 -0.00 0.00 0.00 39.34 37.23 1sgf n TYR 40 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 1sgf n GLN 41 N 4.55 1.71 -2.85 -3.48 0.00 -1.26 -4.69 117.38 111.36 1sgf n GLN 41 Ca 0.17 0.52 -0.19 0.00 -0.00 0.00 0.00 57.00 57.49 1sgf n GLN 41 Cb 0.35 -2.82 0.02 0.00 0.00 0.00 0.00 30.24 27.79 1sgf n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sgf n GLY 43 N -2.10 2.64 3.71 0.00 0.00 0.11 -0.46 105.19 109.09 1sgf n GLY 43 Ca 0.07 -2.25 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.65 -0.30 -0.02 -0.02 0.00 -0.59 -4.17 107.32 98.58 1sgf s GLY 44 Ca 0.28 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.46 1sgf s GLY 44 CO 0.18 0.65 -0.25 0.14 0.00 0.00 0.00 173.10 173.82 1sgf s VAL 45 N -2.65 2.13 -0.12 1.40 1.01 -0.55 -1.44 120.40 120.19 1sgf s VAL 45 Ca 0.15 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 1sgf s VAL 45 Cb 0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1sgf s VAL 45 CO -0.01 0.57 0.52 -0.22 0.00 0.00 0.00 175.10 175.96 1sgf s LEU 46 N -0.65 4.26 -0.06 3.92 2.96 -0.59 -0.56 118.68 127.96 1sgf s LEU 46 Ca 0.10 0.86 0.10 0.00 -0.22 0.00 0.00 54.13 54.97 1sgf s LEU 46 Cb -0.10 -2.76 -0.14 0.00 0.50 0.00 0.00 46.19 43.68 1sgf s LEU 46 CO -0.01 -0.05 0.13 0.18 -1.32 0.00 0.00 176.35 175.28 1sgf n LEU 47 N 3.87 0.00 -4.11 -0.68 4.77 -0.59 -1.24 117.00 119.02 1sgf n LEU 47 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1sgf n LEU 47 Cb 0.51 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1sgf n LEU 47 CO 0.44 0.12 0.05 -0.62 -1.33 0.00 0.00 177.39 176.05 1sgf s ASP 48 N -3.72 0.63 0.52 -1.43 2.15 -1.18 -4.27 116.67 109.36 1sgf s ASP 48 Ca -0.04 -1.37 0.31 0.00 0.43 0.00 0.00 52.55 51.87 1sgf s ASP 48 Cb 0.05 0.58 1.09 0.00 -0.30 0.00 0.00 42.92 44.34 1sgf s ASP 48 CO 0.42 -1.15 1.88 0.03 -0.17 0.00 0.00 175.17 176.18 1sgf h ARG 49 N 2.24 0.00 0.00 4.34 3.08 -1.97 -3.25 114.38 118.82 1sgf h ARG 49 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1sgf h ARG 49 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1sgf h ARG 49 CO 0.40 0.02 -1.74 0.09 -1.07 0.00 0.00 179.97 177.67 1sgf n ASN 50 N -3.11 1.51 -4.53 7.04 3.02 -1.26 0.02 115.26 117.95 1sgf n ASN 50 Ca 0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 1sgf n ASN 50 Cb 0.37 1.55 -0.12 0.00 -0.61 0.00 0.00 39.78 40.97 1sgf n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1sgf s TRP 51 N -2.94 2.88 -0.04 3.10 0.52 -1.23 -1.81 118.94 119.43 1sgf s TRP 51 Ca -0.06 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.00 1sgf s TRP 51 Cb 0.09 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1sgf s TRP 51 CO 0.63 0.21 -0.22 0.08 0.02 0.00 0.00 176.95 177.67 1sgf s VAL 52 N -0.55 1.75 -0.22 4.03 1.01 -0.33 -1.54 120.40 124.54 1sgf s VAL 52 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1sgf s VAL 52 Cb -0.12 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1sgf s VAL 52 CO 0.02 0.49 -0.11 -0.22 0.00 0.00 0.00 175.10 175.28 1sgf s LEU 53 N -0.24 2.83 0.00 3.92 2.96 0.28 -0.44 118.68 127.98 1sgf s LEU 53 Ca 0.01 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 1sgf s LEU 53 Cb -0.11 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1sgf s LEU 53 CO 0.01 -0.08 0.00 1.07 -1.32 0.00 0.00 176.35 176.04 1sgf n THR 54 N 4.65 0.00 -3.74 3.68 5.66 -0.26 -1.48 114.28 122.79 1sgf n THR 54 Ca -0.18 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 1sgf n THR 54 Cb 0.48 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.00 3.84 0.38 1.79 0.00 -1.26 -1.39 121.76 123.12 1sgf s ALA 55 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1sgf s ALA 55 Cb 0.00 -2.07 0.75 0.00 0.00 0.00 0.00 23.12 21.79 1sgf s ALA 55 CO 0.00 0.67 1.91 0.00 0.00 0.00 0.00 175.76 178.34 1sgf h ALA 56 N 3.56 1.49 0.00 0.00 0.00 -1.74 -1.59 119.26 120.98 1sgf h ALA 56 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sgf h ALA 56 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sgf h ALA 56 CO 0.69 0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.91 1sgf n HIS 57 N -4.29 0.00 0.63 0.00 1.44 -1.26 -1.65 115.22 110.09 1sgf n HIS 57 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1sgf n HIS 57 Cb 0.25 -0.15 0.27 0.00 0.12 0.00 0.00 29.99 30.47 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 0.90 2.55 -4.04 0.00 9.36 -0.66 -5.00 117.16 120.27 1sgf n TYR 59 Ca 0.17 0.28 -0.14 0.00 3.32 0.00 0.00 57.90 61.53 1sgf n TYR 59 Cb 0.44 -2.56 -0.02 0.00 -0.63 0.00 0.00 39.34 36.56 1sgf n TYR 59 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1sgf s ASN 60 N 0.59 0.84 -0.14 2.98 2.47 -1.26 -5.08 114.94 115.33 1sgf s ASN 60 Ca 0.69 -1.47 -0.23 0.00 0.42 0.00 0.00 52.86 52.27 1sgf s ASN 60 Cb -0.57 0.72 -0.20 0.00 -1.45 0.00 0.00 41.25 39.74 1sgf s ASN 60 CO 0.45 -1.40 0.57 -2.24 -3.72 0.00 0.00 177.10 170.75 1sgf h ASP 61 N 2.06 0.00 -2.92 -4.21 2.03 -1.95 -3.46 116.42 107.97 1sgf h ASP 61 Ca -0.29 -0.76 -0.61 0.00 -0.73 0.00 0.00 57.03 54.64 1sgf h ASP 61 Cb 1.24 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.70 1sgf h ASP 61 CO 0.39 0.96 -0.47 -0.54 -1.03 0.00 0.00 179.24 178.54 1sgf s LYS 63 N -2.12 3.46 0.07 4.15 1.02 -1.26 -5.10 119.74 119.96 1sgf s LYS 63 Ca -0.17 -0.41 -0.10 0.00 0.02 0.00 0.00 55.97 55.32 1sgf s LYS 63 Cb -0.02 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1sgf s LYS 63 CO 0.55 0.58 0.21 0.71 -0.92 0.00 0.00 175.35 176.48 1sgf s TYR 64 N -1.55 0.08 -0.13 3.18 2.02 -1.26 -4.61 117.35 115.09 1sgf s TYR 64 Ca 0.36 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1sgf s TYR 64 Cb -0.13 -0.03 0.05 0.00 -0.40 0.00 0.00 41.96 41.46 1sgf s TYR 64 CO 0.28 -0.50 0.31 -1.14 -1.57 0.00 0.00 175.55 172.93 1sgf s GLN 65 N -3.22 0.27 -0.25 -0.62 0.74 -0.85 -4.17 119.66 111.56 1sgf s GLN 65 Ca -0.00 0.66 -0.06 0.00 0.05 0.00 0.00 55.36 56.01 1sgf s GLN 65 Cb 0.02 -0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.06 1sgf s GLN 65 CO -0.07 -0.18 0.03 0.08 -0.55 0.00 0.00 175.29 174.60 1sgf s VAL 66 N 1.50 3.92 -0.38 1.34 1.01 -0.50 0.17 120.40 127.46 1sgf s VAL 66 Ca -0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1sgf s VAL 66 Cb -0.10 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1sgf s VAL 66 CO -0.10 0.31 0.20 0.26 0.00 0.00 0.00 175.10 175.77 1sgf s TRP 67 N 1.54 3.26 0.08 5.22 0.51 -0.18 -0.78 118.94 128.59 1sgf s TRP 67 Ca 0.05 -1.12 0.02 0.00 -2.12 0.00 0.00 56.10 52.93 1sgf s TRP 67 Cb -0.15 -2.50 -0.04 0.00 -0.81 0.00 0.00 33.47 29.97 1sgf s TRP 67 CO 0.01 -0.69 0.15 -0.51 -0.51 0.00 0.00 176.95 175.39 1sgf s LEU 68 N 1.51 4.07 0.00 2.99 1.43 0.22 -1.86 118.68 127.05 1sgf s LEU 68 Ca 0.01 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1sgf s LEU 68 Cb -0.20 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1sgf s LEU 68 CO 0.05 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1sgf n GLY 69 N 0.31 0.05 0.50 -3.19 0.00 -1.26 -0.56 105.19 101.03 1sgf n GLY 69 Ca -0.07 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.52 1sgf n GLY 69 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sgf h LYS 70 N 1.10 -1.16 -4.40 1.61 2.10 -1.82 -3.48 116.57 110.52 1sgf h LYS 70 Ca 0.00 0.08 -0.26 0.00 -2.00 0.00 0.00 60.65 58.47 1sgf h LYS 70 Cb 0.00 0.26 -0.22 0.00 -0.90 0.00 0.00 32.23 31.37 1sgf h LYS 70 CO 0.00 -0.77 -0.73 -1.21 -2.00 0.00 0.00 179.45 174.74 1sgf s GLU 75 N -5.76 0.46 0.00 0.07 2.02 -1.26 -5.10 118.70 109.13 1sgf s GLU 75 Ca -0.18 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1sgf s GLU 75 Cb 0.02 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.03 1sgf s GLU 75 CO 0.56 0.04 0.00 -0.85 0.02 0.00 0.00 175.26 175.03 1sgf n GLU 78 N 1.71 0.00 -1.52 1.61 0.28 -1.26 -5.23 120.64 116.24 1sgf n GLU 78 Ca -0.22 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.39 1sgf n GLU 78 Cb 0.55 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.33 1sgf n GLU 78 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1sgf n PRO 79 N 0.00 0.47 0.00 3.44 -0.02 -1.26 -4.05 135.00 133.58 1sgf n PRO 79 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1sgf n PRO 79 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1sgf n PRO 79 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sgf n SER 79 N 12.74 0.00 -4.12 2.55 7.64 -1.26 -5.10 113.62 126.07 1sgf n SER 79 Ca 0.53 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 60.11 1sgf n SER 79 Cb 0.25 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.65 1sgf n SER 79 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1sgf s ASP 80 N -0.40 2.42 -0.28 6.43 1.01 -1.26 -4.42 116.67 120.19 1sgf s ASP 80 Ca 0.00 0.49 -0.22 0.00 0.71 0.00 0.00 52.55 53.53 1sgf s ASP 80 Cb 0.00 -0.68 0.10 0.00 1.01 0.00 0.00 42.92 43.34 1sgf s ASP 80 CO 0.00 -3.18 0.84 -1.10 0.21 0.00 0.00 175.17 171.94 1sgf s GLN 81 N -5.64 0.65 -0.04 8.23 -0.21 0.28 -4.96 119.66 117.97 1sgf s GLN 81 Ca 0.71 0.88 0.01 0.00 0.02 0.00 0.00 55.36 56.98 1sgf s GLN 81 Cb -0.07 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.23 1sgf s GLN 81 CO 0.54 -0.09 -0.02 -3.38 -2.12 0.00 0.00 175.29 170.21 1sgf s HIS 82 N 0.69 0.57 0.17 0.91 -3.43 -1.26 0.72 115.29 113.66 1sgf s HIS 82 Ca -0.02 -0.12 0.09 0.00 -0.80 0.00 0.00 55.06 54.21 1sgf s HIS 82 Cb -0.05 -0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 30.49 1sgf s HIS 82 CO -0.07 -0.17 -0.18 1.03 -2.00 0.00 0.00 174.74 173.34 1sgf s ARG 83 N 1.02 1.28 0.17 -0.38 1.81 0.04 -5.00 118.95 117.89 1sgf s ARG 83 Ca -0.10 -1.42 -0.02 0.00 -1.72 0.00 0.00 55.73 52.48 1sgf s ARG 83 Cb -0.14 -1.33 -0.05 0.00 -0.45 0.00 0.00 34.95 32.98 1sgf s ARG 83 CO -0.01 0.27 0.37 -0.51 -0.68 0.00 0.00 175.30 174.73 1sgf s LEU 84 N -2.70 4.25 -0.06 2.53 1.43 -1.26 -1.41 118.68 121.47 1sgf s LEU 84 Ca 0.16 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.53 1sgf s LEU 84 Cb -0.06 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 1sgf s LEU 84 CO 0.07 0.01 0.43 -0.69 0.23 0.00 0.00 176.35 176.39 1sgf s VAL 85 N -1.78 5.11 -0.39 -1.59 1.01 -1.26 -0.51 120.40 120.99 1sgf s VAL 85 Ca 0.39 0.86 0.20 0.00 0.00 0.00 0.00 61.98 63.42 1sgf s VAL 85 Cb -0.11 -3.75 -0.27 0.00 0.00 0.00 0.00 36.38 32.25 1sgf s VAL 85 CO 0.28 0.47 0.60 -1.54 0.00 0.00 0.00 175.10 174.90 1sgf n SER 86 N 2.69 0.63 -3.72 3.32 3.41 0.60 -4.81 113.62 115.73 1sgf n SER 86 Ca -0.11 -0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 57.99 1sgf n SER 86 Cb 0.52 1.54 -0.13 0.00 -0.26 0.00 0.00 64.21 65.88 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 -3.16 0.24 -0.13 4.33 1.02 -1.18 -5.00 119.74 115.86 1sgf s LYS 87 Ca -0.01 0.57 -0.00 0.00 0.02 0.00 0.00 55.97 56.55 1sgf s LYS 87 Cb 0.14 -0.10 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1sgf s LYS 87 CO 0.82 -0.16 -0.13 0.00 -0.92 0.00 0.00 175.35 174.96 1sgf s ALA 88 N 1.25 2.63 -0.31 5.17 0.00 -1.26 -1.45 121.76 127.78 1sgf s ALA 88 Ca -0.09 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1sgf s ALA 88 Cb -0.10 -1.21 0.12 0.00 0.00 0.00 0.00 23.12 21.93 1sgf s ALA 88 CO -0.09 0.26 0.18 0.42 0.00 0.00 0.00 175.76 176.53 1sgf s ILE 89 N 0.31 -0.02 0.72 0.00 1.01 -0.57 -5.03 121.20 117.62 1sgf s ILE 89 Ca -0.10 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1sgf s ILE 89 Cb -0.16 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.33 1sgf s ILE 89 CO 0.06 -0.80 1.09 -2.84 0.00 0.00 0.00 174.94 172.44 1sgf s PRO 90 N 1.72 2.61 0.31 2.79 0.02 -1.26 -1.85 135.00 139.33 1sgf s PRO 90 Ca 0.13 0.27 -0.29 0.00 0.02 0.00 0.00 61.00 61.13 1sgf s PRO 90 Cb -0.18 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1sgf s PRO 90 CO -0.22 -1.14 1.12 -1.58 -0.33 0.00 0.00 177.00 174.85 1sgf s HIS 91 N -3.36 3.45 0.16 6.54 2.46 -0.84 -4.93 115.29 118.77 1sgf s HIS 91 Ca 0.59 1.65 -0.12 0.00 0.47 0.00 0.00 55.06 57.65 1sgf s HIS 91 Cb -0.11 -3.32 0.03 0.00 -0.13 0.00 0.00 32.58 29.04 1sgf s HIS 91 CO 0.50 -0.76 1.61 -1.35 -2.47 0.00 0.00 174.74 172.27 1sgf h PRO 92 N 3.56 0.91 -1.88 2.88 0.11 -1.93 -3.24 132.00 132.42 1sgf h PRO 92 Ca -0.47 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.35 1sgf h PRO 92 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sgf h PRO 92 CO 0.66 0.94 0.00 -0.25 -0.21 0.00 0.00 178.00 179.14 1sgf n ASP 93 N -4.30 2.47 -4.42 -2.05 8.00 -1.26 -4.80 116.55 110.19 1sgf n ASP 93 Ca 0.01 -1.56 -0.26 0.00 0.71 0.00 0.00 54.79 53.69 1sgf n ASP 93 Cb 0.32 -0.51 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 1sgf n ASP 93 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1sgf s PHE 94 N 0.86 2.25 -0.41 1.24 5.36 -1.22 -4.60 117.98 121.45 1sgf s PHE 94 Ca 0.00 -0.37 -0.18 0.00 -0.96 0.00 0.00 56.93 55.42 1sgf s PHE 94 Cb 0.00 -1.10 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 1sgf s PHE 94 CO 0.00 0.51 0.50 1.21 -1.46 0.00 0.00 175.22 175.98 1sgf s ASN 95 N -2.78 6.25 0.00 6.13 3.84 -1.26 -4.91 114.94 122.21 1sgf s ASN 95 Ca 0.21 -0.45 0.25 0.00 0.21 0.00 0.00 52.86 53.07 1sgf s ASN 95 Cb -0.07 -2.25 1.21 0.00 -0.55 0.00 0.00 41.25 39.58 1sgf s ASN 95 CO 0.10 -0.60 1.81 0.23 -2.79 0.00 0.00 177.10 175.85 1sgf n MET 95 N 5.79 0.30 -0.80 0.43 2.81 -1.26 -4.62 117.12 119.76 1sgf n MET 95 Ca -0.05 0.06 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 1sgf n MET 95 Cb 0.48 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.42 1sgf n MET 95 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1sgf n SER 95 N -1.32 4.93 -4.02 7.83 3.41 -1.26 -5.18 113.62 118.01 1sgf n SER 95 Ca 0.11 -2.29 -0.35 0.00 -0.26 0.00 0.00 58.87 56.07 1sgf n SER 95 Cb 0.21 -1.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 1sgf n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sgf n LEU 95 N 3.39 -1.42 -3.74 1.04 4.77 -1.26 -5.26 117.00 114.51 1sgf n LEU 95 Ca 0.43 -1.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.04 1sgf n LEU 95 Cb 0.38 -1.92 -0.17 0.00 -2.33 0.00 0.00 43.42 39.37 1sgf n LEU 95 CO 0.47 0.58 -0.36 -2.84 -1.33 0.00 0.00 177.39 173.91 1sgf s PRO 95 N -6.91 0.25 0.07 3.23 0.02 -1.26 -5.17 135.00 125.22 1sgf s PRO 95 Ca 0.27 0.22 0.07 0.00 0.02 0.00 0.00 61.00 61.58 1sgf s PRO 95 Cb -0.13 -0.67 -0.03 0.00 0.02 0.00 0.00 34.50 33.69 1sgf s PRO 95 CO 0.94 -0.28 -0.20 -0.65 -0.33 0.00 0.00 177.00 176.48 1sgf s GLN 95 N 1.87 1.20 0.00 5.54 -0.21 -1.26 -5.05 119.66 121.74 1sgf s GLN 95 Ca 0.02 -1.00 0.07 0.00 0.02 0.00 0.00 55.36 54.47 1sgf s GLN 95 Cb -0.12 -1.35 0.42 0.00 1.00 0.00 0.00 33.01 32.96 1sgf s GLN 95 CO -0.04 0.33 0.93 -2.30 -2.12 0.00 0.00 175.29 172.10 1sgf n PRO 95 N 1.53 0.59 -0.35 2.91 -0.02 -1.24 -2.93 135.00 135.49 1sgf n PRO 95 Ca -0.18 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.37 1sgf n PRO 95 Cb 0.54 -1.19 0.18 0.00 -0.02 0.00 0.00 33.50 33.01 1sgf n PRO 95 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sgf n GLU 96 N -0.69 1.65 -3.41 -0.52 -0.58 -1.26 -3.98 120.64 111.85 1sgf n GLU 96 Ca 0.05 -2.89 -0.38 0.00 -0.42 0.00 0.00 57.16 53.53 1sgf n GLU 96 Cb 0.02 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.21 1sgf n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sgf s ASP 97 N -2.82 6.48 -0.40 1.62 1.01 -1.15 -4.90 116.67 116.51 1sgf s ASP 97 Ca 0.36 0.57 -0.17 0.00 0.71 0.00 0.00 52.55 54.03 1sgf s ASP 97 Cb 0.33 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 42.04 1sgf s ASP 97 CO 0.01 -0.02 0.41 -0.62 0.21 0.00 0.00 175.17 175.15 1sgf s ASP 98 N 0.82 6.18 -0.04 0.27 2.15 -1.26 -2.17 116.67 122.62 1sgf s ASP 98 Ca 0.20 -0.61 0.14 0.00 0.43 0.00 0.00 52.55 52.71 1sgf s ASP 98 Cb -0.14 -2.21 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 1sgf s ASP 98 CO 0.07 -0.51 1.36 -1.22 -0.17 0.00 0.00 175.17 174.69 1sgf n TYR 99 N 5.50 0.84 -1.64 -5.34 4.02 -1.26 -4.68 117.16 114.61 1sgf n TYR 99 Ca -0.08 -0.37 -0.44 0.00 -0.01 0.00 0.00 57.90 57.00 1sgf n TYR 99 Cb 0.48 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 1sgf n TYR 99 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1sgf n SER 100 N 0.81 2.01 -1.61 7.72 7.64 -1.26 -2.38 113.62 126.54 1sgf n SER 100 Ca 0.17 1.18 -0.10 0.00 1.01 0.00 0.00 58.87 61.13 1sgf n SER 100 Cb 0.53 -1.37 0.03 0.00 -1.01 0.00 0.00 64.21 62.39 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 1.28 -3.65 -4.52 6.43 3.02 -1.26 -4.58 115.26 111.98 1sgf n ASN 101 Ca 0.09 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.03 1sgf n ASN 101 Cb 0.33 -2.36 -0.02 0.00 -0.61 0.00 0.00 39.78 37.12 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 -3.03 6.69 -0.10 6.41 2.15 -1.00 -4.56 116.67 123.23 1sgf s ASP 102 Ca 0.19 -2.05 -0.18 0.00 0.43 0.00 0.00 52.55 50.95 1sgf s ASP 102 Cb -0.08 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 1sgf s ASP 102 CO 0.24 -1.20 0.45 -0.22 -0.17 0.00 0.00 175.17 174.26 1sgf s LEU 103 N 3.68 0.30 -0.13 -1.34 2.96 -1.26 -4.24 118.68 118.65 1sgf s LEU 103 Ca 0.43 0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 54.83 1sgf s LEU 103 Cb -0.01 1.62 0.04 0.00 0.50 0.00 0.00 46.19 48.34 1sgf s LEU 103 CO -0.05 -0.32 0.39 -0.32 -1.32 0.00 0.00 176.35 174.73 1sgf s MET 104 N -0.47 0.50 -0.16 1.98 -2.45 -0.48 -1.99 119.30 116.23 1sgf s MET 104 Ca -0.06 0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.80 1sgf s MET 104 Cb -0.03 0.24 -0.02 0.00 1.25 0.00 0.00 34.83 36.27 1sgf s MET 104 CO 0.03 -0.08 -0.09 -0.51 1.05 0.00 0.00 175.02 175.42 1sgf s LEU 105 N -0.04 2.87 -0.12 4.11 1.43 -0.77 -1.10 118.68 125.06 1sgf s LEU 105 Ca -0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1sgf s LEU 105 Cb -0.03 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1sgf s LEU 105 CO 0.01 0.12 -0.12 -0.76 0.23 0.00 0.00 176.35 175.83 1sgf s LEU 106 N 0.65 2.77 -0.20 1.79 1.02 0.41 -1.51 118.68 123.62 1sgf s LEU 106 Ca -0.05 -0.28 -0.06 0.00 0.02 0.00 0.00 54.13 53.76 1sgf s LEU 106 Cb -0.15 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1sgf s LEU 106 CO 0.02 0.20 0.03 -0.60 0.02 0.00 0.00 176.35 176.02 1sgf s ARG 107 N 0.15 3.75 0.42 1.70 3.52 -0.53 -1.19 118.95 126.78 1sgf s ARG 107 Ca -0.06 -0.46 -0.24 0.00 -0.13 0.00 0.00 55.73 54.84 1sgf s ARG 107 Cb -0.15 -3.15 -0.08 0.00 -1.56 0.00 0.00 34.95 30.01 1sgf s ARG 107 CO 0.05 0.08 1.10 -0.51 -0.81 0.00 0.00 175.30 175.21 1sgf s LEU 108 N 0.85 4.09 0.35 -0.88 1.43 -0.75 -0.29 118.68 123.48 1sgf s LEU 108 Ca 0.02 2.17 0.15 0.00 -1.03 0.00 0.00 54.13 55.44 1sgf s LEU 108 Cb -0.14 -4.20 0.62 0.00 0.03 0.00 0.00 46.19 42.50 1sgf s LEU 108 CO 0.02 -0.68 1.73 0.77 0.23 0.00 0.00 176.35 178.42 1sgf h SER 109 N 2.32 0.00 -4.27 2.29 4.64 -1.11 -3.43 113.55 113.99 1sgf h SER 109 Ca -0.49 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.54 1sgf h SER 109 Cb 1.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.07 1sgf h SER 109 CO 0.61 0.44 -0.74 -0.54 -0.87 0.00 0.00 176.83 175.74 1sgf s LYS 110 N -3.75 0.42 0.61 4.77 1.02 -1.26 -5.02 119.74 116.54 1sgf s LYS 110 Ca -0.01 -0.40 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 1sgf s LYS 110 Cb 0.12 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1sgf s LYS 110 CO 0.71 0.07 1.28 -2.14 -0.92 0.00 0.00 175.35 174.36 1sgf s PRO 111 N -0.72 2.77 0.38 -1.68 0.02 -1.26 -4.94 135.00 129.56 1sgf s PRO 111 Ca -0.04 2.03 -0.24 0.00 0.02 0.00 0.00 61.00 62.78 1sgf s PRO 111 Cb -0.05 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1sgf s PRO 111 CO -0.00 -1.42 0.95 0.00 -0.33 0.00 0.00 177.00 176.20 1sgf s ALA 112 N -1.43 3.12 -0.07 -1.55 0.00 0.10 -5.01 121.76 116.92 1sgf s ALA 112 Ca 0.79 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1sgf s ALA 112 Cb -0.36 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1sgf s ALA 112 CO 0.39 0.14 0.55 -0.51 0.00 0.00 0.00 175.76 176.33 1sgf s ASP 113 N -1.88 6.83 -0.07 0.00 1.01 -1.26 -4.87 116.67 116.43 1sgf s ASP 113 Ca 0.56 0.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.51 1sgf s ASP 113 Cb -0.14 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1sgf s ASP 113 CO 0.19 0.02 1.04 -0.63 0.21 0.00 0.00 175.17 176.00 1sgf s ILE 114 N 0.35 4.68 0.00 0.77 -1.09 -1.26 -4.77 121.20 119.88 1sgf s ILE 114 Ca 0.30 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.66 1sgf s ILE 114 Cb -0.17 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1sgf s ILE 114 CO 0.14 0.04 0.00 0.35 -1.23 0.00 0.00 174.94 174.24 1sgf n THR 115 N 4.40 0.00 1.27 2.92 -2.24 -0.98 -4.98 114.28 114.68 1sgf n THR 115 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1sgf n THR 115 Cb 0.49 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.96 1sgf n THR 115 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sgf n ASP 116 N -1.54 1.34 0.00 3.42 8.00 -1.26 -3.52 116.55 122.98 1sgf n ASP 116 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1sgf n ASP 116 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1sgf n ASP 116 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1sgf n VAL 117 N 0.17 0.00 -3.98 2.53 0.31 -1.26 -4.96 118.33 111.14 1sgf n VAL 117 Ca 0.12 -0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 1sgf n VAL 117 Cb 0.24 0.81 -0.16 0.00 -0.91 0.00 0.00 33.84 33.82 1sgf n VAL 117 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1sgf s VAL 118 N -0.81 1.49 0.01 2.52 1.01 -1.23 -4.50 120.40 118.90 1sgf s VAL 118 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1sgf s VAL 118 Cb 0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1sgf s VAL 118 CO 0.00 0.24 0.03 -0.54 0.00 0.00 0.00 175.10 174.83 1sgf s LYS 119 N 1.48 0.35 0.91 2.72 -0.14 -1.13 -2.31 119.74 121.62 1sgf s LYS 119 Ca 0.01 -0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 54.01 1sgf s LYS 119 Cb -0.15 0.13 0.20 0.00 -1.68 0.00 0.00 37.83 36.33 1sgf s LYS 119 CO -0.09 -0.07 1.24 -2.14 -0.76 0.00 0.00 175.35 173.54 1sgf s PRO 120 N -1.33 0.74 -0.04 -1.68 0.02 -1.26 -3.34 135.00 128.12 1sgf s PRO 120 Ca -0.14 -0.80 -0.06 0.00 0.02 0.00 0.00 61.00 60.02 1sgf s PRO 120 Cb -0.09 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1sgf s PRO 120 CO -0.00 -2.25 0.15 -1.50 -0.33 0.00 0.00 177.00 173.07 1sgf s ILE 121 N -3.69 0.02 0.37 2.83 2.07 -0.37 -4.82 121.20 117.60 1sgf s ILE 121 Ca 0.74 -0.16 -0.25 0.00 -1.41 0.00 0.00 60.65 59.57 1sgf s ILE 121 Cb -0.03 -0.26 -0.09 0.00 0.13 0.00 0.00 42.46 42.21 1sgf s ILE 121 CO 0.51 -0.09 1.03 0.42 -1.91 0.00 0.00 174.94 174.91 1sgf s THR 122 N -0.24 3.80 0.70 4.00 -4.23 -1.26 -4.47 115.64 113.94 1sgf s THR 122 Ca -0.03 1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 61.78 1sgf s THR 122 Cb -0.03 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.05 1sgf s THR 122 CO 0.00 0.08 1.14 -0.76 -0.54 0.00 0.00 174.62 174.55 1sgf s LEU 123 N -2.37 3.31 0.79 4.79 1.02 -1.26 -4.36 118.68 120.60 1sgf s LEU 123 Ca 0.54 2.12 -0.14 0.00 0.02 0.00 0.00 54.13 56.68 1sgf s LEU 123 Cb -0.22 -4.56 0.07 0.00 0.02 0.00 0.00 46.19 41.49 1sgf s LEU 123 CO 0.28 -1.95 1.20 -2.84 0.02 0.00 0.00 176.35 173.06 1sgf s PRO 124 N -4.12 1.78 0.07 1.29 0.02 -1.25 -4.93 135.00 127.86 1sgf s PRO 124 Ca 0.69 1.72 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 1sgf s PRO 124 Cb -0.23 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1sgf s PRO 124 CO 0.45 -2.10 -0.00 0.25 -0.33 0.00 0.00 177.00 175.26 1sgf n THR 125 N -3.18 0.92 -2.98 0.99 -2.24 -1.26 -4.93 114.28 101.61 1sgf n THR 125 Ca 0.13 0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.95 1sgf n THR 125 Cb 0.51 -1.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.15 1sgf n THR 125 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sgf s GLU 128 N -2.01 3.54 0.41 -0.78 -1.05 -1.26 -5.08 118.70 112.47 1sgf s GLU 128 Ca -0.00 -0.01 -0.24 0.00 -0.15 0.00 0.00 54.97 54.57 1sgf s GLU 128 Cb 0.00 -2.51 -0.09 0.00 -0.44 0.00 0.00 34.13 31.10 1sgf s GLU 128 CO 0.01 -0.03 1.06 -1.21 0.95 0.00 0.00 175.26 176.03 1sgf s GLU 129 N -4.46 4.11 0.21 -4.83 0.41 -1.26 -5.01 118.70 107.86 1sgf s GLU 129 Ca 0.44 1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 56.24 1sgf s GLU 129 Cb -0.10 -2.51 -0.08 0.00 -1.78 0.00 0.00 34.13 29.66 1sgf s GLU 129 CO 0.40 -0.20 1.08 -2.14 -0.49 0.00 0.00 175.26 173.92 1sgf s PRO 130 N -2.55 4.63 -0.10 0.39 0.02 -1.26 -5.02 135.00 131.11 1sgf s PRO 130 Ca 0.59 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 1sgf s PRO 130 Cb -0.22 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 1sgf s PRO 130 CO 0.28 0.15 0.42 0.15 -0.33 0.00 0.00 177.00 177.67 1sgf s LYS 131 N -0.74 4.23 0.41 5.54 1.02 -1.26 -5.04 119.74 123.90 1sgf s LYS 131 Ca 0.47 0.36 -0.26 0.00 0.02 0.00 0.00 55.97 56.56 1sgf s LYS 131 Cb -0.30 -3.38 -0.09 0.00 -0.52 0.00 0.00 37.83 33.54 1sgf s LYS 131 CO 0.36 0.30 1.37 -0.51 -0.92 0.00 0.00 175.35 175.95 1sgf s LEU 132 N 0.20 4.20 0.00 3.17 1.43 -1.26 -2.36 118.68 124.06 1sgf s LEU 132 Ca 0.23 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1sgf s LEU 132 Cb -0.15 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1sgf s LEU 132 CO 0.09 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1sgf n GLY 133 N 0.62 0.73 3.88 -3.19 0.00 0.31 -5.02 105.19 102.53 1sgf n GLY 133 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1sgf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgf s SER 134 N -2.11 5.97 -0.19 1.61 0.01 -0.99 -4.77 113.70 113.21 1sgf s SER 134 Ca 0.00 1.22 -0.15 0.00 1.31 0.00 0.00 55.95 58.33 1sgf s SER 134 Cb 0.00 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1sgf s SER 134 CO 0.00 -0.98 0.35 -0.89 0.41 0.00 0.00 173.24 172.14 1sgf s THR 135 N -3.16 5.24 0.16 1.44 2.01 -1.26 -1.36 115.64 118.71 1sgf s THR 135 Ca 0.55 0.62 0.11 0.00 0.31 0.00 0.00 61.69 63.28 1sgf s THR 135 Cb -0.11 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1sgf s THR 135 CO 0.51 0.29 -0.25 0.00 -0.69 0.00 0.00 174.62 174.48 1sgf s LEU 137 N -2.35 3.69 -0.04 0.00 2.96 -0.22 -0.16 118.68 122.56 1sgf s LEU 137 Ca 0.17 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1sgf s LEU 137 Cb -0.09 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1sgf s LEU 137 CO 0.08 0.12 0.09 0.00 -1.32 0.00 0.00 176.35 175.32 1sgf s ALA 138 N -1.55 -0.18 0.00 5.97 0.00 -1.12 -2.33 121.76 122.55 1sgf s ALA 138 Ca 0.29 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1sgf s ALA 138 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1sgf s ALA 138 CO 0.21 -0.08 0.00 -1.13 0.00 0.00 0.00 175.76 174.77 1sgf n SER 139 N 3.50 0.00 -3.95 0.00 3.41 -1.26 -0.94 113.62 114.38 1sgf n SER 139 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 1sgf n SER 139 Cb 0.56 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 1sgf n SER 139 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sgf s ILE 147 N 0.00 3.17 -0.35 -1.33 -1.09 -1.26 -4.70 121.20 115.63 1sgf s ILE 147 Ca 0.00 -4.13 -0.40 0.00 -2.23 0.00 0.00 60.65 53.90 1sgf s ILE 147 Cb 0.00 -3.06 -0.15 0.00 -1.58 0.00 0.00 42.46 37.67 1sgf s ILE 147 CO 0.00 -1.01 1.95 0.00 -1.23 0.00 0.00 174.94 174.65 1sgf s VAL 158 N 5.14 1.24 -0.68 0.00 0.11 -0.12 -4.90 120.40 121.19 1sgf s VAL 158 Ca 1.06 -1.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 1sgf s VAL 158 Cb -1.11 -1.11 0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1sgf s VAL 158 CO 0.62 0.09 1.12 0.21 -3.33 0.00 0.00 175.10 173.81 1sgf s ASN 159 N -1.06 6.20 0.42 3.54 2.47 -1.26 -2.80 114.94 122.45 1sgf s ASN 159 Ca 0.03 -0.61 0.08 0.00 0.42 0.00 0.00 52.86 52.78 1sgf s ASN 159 Cb -0.08 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1sgf s ASN 159 CO 0.01 -1.61 0.47 -0.76 -3.72 0.00 0.00 177.10 171.49 1sgf s LEU 160 N 4.89 3.50 -0.03 3.21 1.43 0.77 -4.14 118.68 128.31 1sgf s LEU 160 Ca 0.30 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1sgf s LEU 160 Cb -0.12 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1sgf s LEU 160 CO 0.14 -0.72 -0.08 -0.75 0.23 0.00 0.00 176.35 175.17 1sgf s LYS 161 N -4.24 0.96 -0.60 1.70 2.20 0.63 -0.75 119.74 119.64 1sgf s LYS 161 Ca 0.51 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 55.58 1sgf s LYS 161 Cb -0.06 -0.90 0.02 0.00 -1.51 0.00 0.00 37.83 35.38 1sgf s LYS 161 CO 0.30 0.07 1.40 -1.17 -0.36 0.00 0.00 175.35 175.60 1sgf s LEU 162 N 0.34 3.35 0.45 5.43 2.96 -0.46 -1.41 118.68 129.35 1sgf s LEU 162 Ca -0.05 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1sgf s LEU 162 Cb -0.10 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 1sgf s LEU 162 CO 0.01 -1.76 0.69 -0.76 -1.32 0.00 0.00 176.35 173.21 1sgf s LEU 163 N 6.13 3.66 0.35 -0.68 1.43 -0.35 -0.53 118.68 128.69 1sgf s LEU 163 Ca 0.49 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 1sgf s LEU 163 Cb -0.10 -3.35 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 1sgf s LEU 163 CO 0.23 -0.65 1.28 -2.84 0.23 0.00 0.00 176.35 174.60 1sgf s PRO 164 N -4.59 4.24 0.65 1.29 0.02 -1.26 -4.26 135.00 131.09 1sgf s PRO 164 Ca 0.47 2.15 0.19 0.00 0.02 0.00 0.00 61.00 63.84 1sgf s PRO 164 Cb -0.10 -2.96 1.00 0.00 0.02 0.00 0.00 34.50 32.46 1sgf s PRO 164 CO 0.40 -0.26 1.55 -0.91 -0.33 0.00 0.00 177.00 177.45 1sgf h ASN 165 N 3.16 0.00 -0.29 2.53 4.21 -1.94 -0.98 115.58 122.26 1sgf h ASN 165 Ca -0.49 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 56.92 1sgf h ASN 165 Cb 1.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1sgf h ASN 165 CO 0.64 0.00 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.29 1sgf h GLU 166 N 0.00 0.74 0.00 0.81 5.08 -2.00 -2.30 114.58 116.92 1sgf h GLU 166 Ca 0.07 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1sgf h GLU 166 Cb 1.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1sgf h GLU 166 CO -0.00 0.86 0.00 -0.44 -1.00 0.00 0.00 179.01 178.43 1sgf h ASP 167 N 0.66 0.00 0.11 1.42 3.32 -1.54 -0.88 116.42 119.50 1sgf h ASP 167 Ca 0.10 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.79 1sgf h ASP 167 Cb 0.64 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1sgf h ASP 167 CO 0.05 0.00 -2.05 0.00 -1.72 0.00 0.00 179.24 175.51 1sgf h ASP 169 N 0.03 0.97 0.35 0.00 3.58 -0.86 -1.92 116.42 118.57 1sgf h ASP 169 Ca -0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1sgf h ASP 169 Cb 2.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.85 1sgf h ASP 169 CO 0.06 0.62 0.00 1.17 -2.88 0.00 0.00 179.24 178.20 1sgf n LYS 170 N -4.50 0.11 -1.68 0.28 4.81 -0.71 -3.27 118.16 113.21 1sgf n LYS 170 Ca 0.15 0.21 -0.32 0.00 -0.87 0.00 0.00 58.31 57.47 1sgf n LYS 170 Cb 0.20 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 33.80 1sgf n LYS 170 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sgf n ALA 171 N -1.38 5.91 0.00 3.14 0.00 -0.72 -4.98 120.51 122.47 1sgf n ALA 171 Ca 0.05 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1sgf n ALA 171 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1sgf n ALA 171 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sgf n HIS 172 N -0.78 0.00 -0.13 0.00 -0.00 -1.20 -4.61 115.22 108.49 1sgf n HIS 172 Ca 0.55 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.47 1sgf n HIS 172 Cb 0.70 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.47 1sgf n HIS 172 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1sgf n GLU 173 N 0.00 0.56 -4.07 1.57 2.13 -1.26 -4.67 120.64 114.89 1sgf n GLU 173 Ca 0.00 0.22 -0.15 0.00 0.66 0.00 0.00 57.16 57.89 1sgf n GLU 173 Cb 0.00 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.25 1sgf n GLU 173 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sgf s MET 174 N -2.47 2.01 -0.05 5.31 0.23 -1.26 -3.71 119.30 119.35 1sgf s MET 174 Ca -0.35 -1.79 -0.25 0.00 -1.03 0.00 0.00 55.69 52.26 1sgf s MET 174 Cb 0.13 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.86 1sgf s MET 174 CO 0.47 -0.85 0.79 0.21 -2.03 0.00 0.00 175.02 173.61 1sgf s LYS 175 N -2.83 4.47 -0.22 3.16 2.20 -0.92 -4.91 119.74 120.69 1sgf s LYS 175 Ca 0.30 1.04 -0.06 0.00 -0.36 0.00 0.00 55.97 56.88 1sgf s LYS 175 Cb -0.01 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1sgf s LYS 175 CO 0.21 0.02 0.03 0.08 -0.36 0.00 0.00 175.35 175.33 1sgf s VAL 176 N 0.91 4.18 0.38 4.02 1.01 -1.26 -4.58 120.40 125.06 1sgf s VAL 176 Ca 0.42 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1sgf s VAL 176 Cb -0.19 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1sgf s VAL 176 CO 0.21 0.40 0.01 0.42 0.00 0.00 0.00 175.10 176.14 1sgf s THR 177 N 1.15 1.79 0.44 3.92 -4.23 -1.26 -5.01 115.64 112.44 1sgf s THR 177 Ca 0.04 -2.02 0.32 0.00 -1.18 0.00 0.00 61.69 58.84 1sgf s THR 177 Cb -0.14 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.11 1sgf s THR 177 CO 0.02 -0.03 1.96 -2.24 -0.54 0.00 0.00 174.62 173.80 1sgf h ASP 178 N 1.90 0.00 -0.32 3.99 3.04 -2.02 -1.46 116.42 121.54 1sgf h ASP 178 Ca -0.43 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.35 1sgf h ASP 178 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 1sgf h ASP 178 CO 0.77 0.00 0.01 0.00 -2.04 0.00 0.00 179.24 177.98 1sgf n ALA 179 N -1.90 3.30 -2.17 4.15 0.00 -1.26 -4.87 120.51 117.76 1sgf n ALA 179 Ca -0.02 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.24 1sgf n ALA 179 Cb 0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.97 0.85 0.35 0.00 -1.94 -0.55 -2.82 119.30 113.21 1sgf s MET 180 Ca 0.30 -1.34 0.09 0.00 -1.71 0.00 0.00 55.69 53.03 1sgf s MET 180 Cb 0.23 -0.20 -0.06 0.00 2.01 0.00 0.00 34.83 36.81 1sgf s MET 180 CO 0.09 -0.03 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.50 1sgf s LEU 181 N -3.05 2.81 -0.08 -0.03 1.43 0.83 -4.68 118.68 115.91 1sgf s LEU 181 Ca 0.12 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1sgf s LEU 181 Cb 0.05 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1sgf s LEU 181 CO -0.04 -0.22 -0.05 0.00 0.23 0.00 0.00 176.35 176.26 1sgf s ALA 183 N 1.47 1.34 -0.02 0.00 0.00 -0.80 -1.21 121.76 122.53 1sgf s ALA 183 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1sgf s ALA 183 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1sgf s ALA 183 CO -0.04 0.29 0.08 0.20 0.00 0.00 0.00 175.76 176.29 1sgf s GLY 184 N -0.95 -0.03 0.14 0.00 0.00 -0.50 -1.42 107.32 104.57 1sgf s GLY 184 Ca 0.04 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 1sgf s GLY 184 CO 0.01 0.09 1.06 1.85 0.00 0.00 0.00 173.10 176.10 1sgf s GLU 185 N -0.22 4.62 0.04 2.90 2.12 -1.26 -0.27 118.70 126.63 1sgf s GLU 185 Ca -0.03 1.62 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1sgf s GLU 185 Cb -0.02 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1sgf s GLU 185 CO 0.00 0.10 -0.05 -1.64 -0.54 0.00 0.00 175.26 173.13 1sgf s MET 186 N -0.11 0.50 -1.36 4.30 -1.94 -1.26 -4.93 119.30 114.50 1sgf s MET 186 Ca 0.49 -0.89 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 1sgf s MET 186 Cb -0.27 -0.00 0.01 0.00 2.01 0.00 0.00 34.83 36.58 1sgf s MET 186 CO 0.33 -0.04 0.40 -0.40 -0.01 0.00 0.00 175.02 175.30 1sgf n ASP 186 N 0.98 -1.71 0.00 3.03 5.68 -1.26 -5.02 116.55 118.25 1sgf n ASP 186 Ca -0.20 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1sgf n ASP 186 Cb 0.57 -2.12 0.00 0.00 -1.14 0.00 0.00 41.12 38.43 1sgf n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sgf n GLY 186 N -2.20 4.56 0.14 6.12 0.00 -1.26 -5.08 105.19 107.47 1sgf n GLY 186 Ca -0.23 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 5.00 -0.15 3.42 -0.02 0.00 -1.26 -5.02 105.19 107.17 1sgf n GLY 187 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1sgf n GLY 187 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgf s SER 188 N -5.17 3.56 0.33 1.61 0.15 -1.26 -5.15 113.70 107.77 1sgf s SER 188 Ca -0.14 -0.59 0.10 0.00 0.70 0.00 0.00 55.95 56.01 1sgf s SER 188 Cb 0.04 -0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1sgf s SER 188 CO 0.24 0.21 -0.06 -0.31 1.20 0.00 0.00 173.24 174.52 1sgf s TYR 189 N -1.00 2.46 0.31 3.44 1.51 -1.26 -5.09 117.35 117.72 1sgf s TYR 189 Ca 0.15 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1sgf s TYR 189 Cb -0.10 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1sgf s TYR 189 CO 0.06 0.56 0.36 0.95 -1.11 0.00 0.00 175.55 176.37 1sgf s THR 190 N -2.55 4.14 -0.52 -0.71 -4.23 -1.26 -5.09 115.64 105.42 1sgf s THR 190 Ca 0.33 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1sgf s THR 190 Cb 0.00 -3.41 0.13 0.00 1.34 0.00 0.00 72.50 70.57 1sgf s THR 190 CO 0.18 -0.21 0.28 0.00 -0.54 0.00 0.00 174.62 174.32 1sgf s GLU 192 N -0.04 0.40 -0.29 0.00 0.41 -1.26 -4.82 118.70 113.10 1sgf s GLU 192 Ca 0.16 -0.59 0.02 0.00 -0.41 0.00 0.00 54.97 54.15 1sgf s GLU 192 Cb -0.24 -0.14 0.20 0.00 -1.78 0.00 0.00 34.13 32.17 1sgf s GLU 192 CO -0.02 0.02 0.69 -1.58 -0.49 0.00 0.00 175.26 173.88 1sgf s HIS 193 N -1.18 -1.55 -0.68 1.61 2.46 -1.17 -4.73 115.29 110.06 1sgf s HIS 193 Ca -0.10 0.94 -0.09 0.00 0.47 0.00 0.00 55.06 56.28 1sgf s HIS 193 Cb -0.08 0.28 0.18 0.00 -0.13 0.00 0.00 32.58 32.82 1sgf s HIS 193 CO -0.00 -0.90 0.56 0.34 -2.47 0.00 0.00 174.74 172.26 1sgf s ASP 194 N 2.86 5.93 0.04 9.88 2.15 -1.26 -4.98 116.67 131.30 1sgf s ASP 194 Ca 0.14 -2.62 -0.32 0.00 0.43 0.00 0.00 52.55 50.18 1sgf s ASP 194 Cb -0.09 -2.03 -0.11 0.00 -0.30 0.00 0.00 42.92 40.40 1sgf s ASP 194 CO -0.25 -0.51 1.85 -1.20 -0.17 0.00 0.00 175.17 174.89 1sgf n SER 195 N 3.94 3.78 0.00 -0.34 7.64 -1.26 -0.33 113.62 127.04 1sgf n SER 195 Ca 0.07 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1sgf n SER 195 Cb 0.42 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 4.26 1.05 3.79 0.23 0.00 -0.54 0.05 105.19 114.04 1sgf n GLY 196 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.71 2.15 0.50 -0.02 0.00 0.55 -3.26 107.32 105.53 1sgf s GLY 197 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 44.72 45.00 1sgf s GLY 197 CO 0.00 0.82 1.05 -4.14 0.00 0.00 0.00 173.10 170.83 1sgf s PRO 198 N -4.06 3.72 -0.25 2.90 0.02 -1.26 -0.81 135.00 135.26 1sgf s PRO 198 Ca 0.66 1.40 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1sgf s PRO 198 Cb -0.18 -2.08 0.06 0.00 0.02 0.00 0.00 34.50 32.31 1sgf s PRO 198 CO 0.39 -0.50 -0.10 -1.17 -0.33 0.00 0.00 177.00 175.29 1sgf s LEU 199 N -3.55 3.17 -0.34 -5.54 2.96 -0.70 -4.13 118.68 110.55 1sgf s LEU 199 Ca 0.68 -1.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 1sgf s LEU 199 Cb -0.17 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.10 1sgf s LEU 199 CO 0.21 -0.19 0.11 -0.63 -1.32 0.00 0.00 176.35 174.52 1sgf s ILE 200 N 1.18 3.78 -0.20 6.68 1.01 -0.98 -1.24 121.20 131.43 1sgf s ILE 200 Ca -0.08 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.34 1sgf s ILE 200 Cb -0.19 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1sgf s ILE 200 CO -0.06 -0.18 0.12 0.00 0.00 0.00 0.00 174.94 174.82 1sgf n ASP 202 N 3.57 0.43 0.00 0.00 8.00 -1.06 -1.08 116.55 126.40 1sgf n ASP 202 Ca -0.16 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1sgf n ASP 202 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 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 -2.34 3.14 3.57 0.44 0.00 -1.26 -5.04 105.19 103.71 1sgf n GLY 207 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1sgf n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sgf s ILE 208 N -1.88 3.44 -0.01 -0.61 -4.36 -0.24 -5.08 121.20 112.46 1sgf s ILE 208 Ca 0.00 -1.01 -0.30 0.00 -0.26 0.00 0.00 60.65 59.08 1sgf s ILE 208 Cb 0.00 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.11 1sgf s ILE 208 CO 0.00 0.28 1.58 -0.22 0.24 0.00 0.00 174.94 176.82 1sgf s LEU 209 N -1.72 4.33 0.00 0.37 2.96 -1.26 -1.41 118.68 121.94 1sgf s LEU 209 Ca 0.19 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1sgf s LEU 209 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1sgf s LEU 209 CO 0.10 -0.86 0.00 0.00 -1.32 0.00 0.00 176.35 174.27 1sgf n GLN 210 N 6.24 1.79 -3.85 1.98 1.13 -0.37 -3.80 117.38 120.49 1sgf n GLN 210 Ca 0.16 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.12 1sgf n GLN 210 Cb 0.42 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.94 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 -1.58 0.46 -0.05 1.08 0.00 -1.06 -2.67 107.32 103.50 1sgf s GLY 211 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 1sgf s GLY 211 CO 0.00 -0.38 0.09 -0.42 0.00 0.00 0.00 173.10 172.39 1sgf s ILE 212 N -2.64 -0.13 -0.20 0.90 1.01 -1.06 -1.72 121.20 117.36 1sgf s ILE 212 Ca 0.17 0.34 -0.37 0.00 0.00 0.00 0.00 60.65 60.78 1sgf s ILE 212 Cb -0.05 -0.18 -0.14 0.00 0.01 0.00 0.00 42.46 42.11 1sgf s ILE 212 CO 0.12 0.14 1.84 0.41 0.00 0.00 0.00 174.94 177.44 1sgf n THR 213 N 4.94 0.43 -1.63 2.92 -1.04 0.01 0.17 114.28 120.07 1sgf n THR 213 Ca -0.12 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1sgf n THR 213 Cb 0.50 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 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 6.23 0.00 -4.48 8.00 2.88 -0.79 -1.46 113.62 124.00 1sgf n SER 214 Ca 0.26 -0.19 -0.33 0.00 -1.33 0.00 0.00 58.87 57.28 1sgf n SER 214 Cb 0.21 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.80 1sgf n SER 214 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1sgf n TRP 215 N -0.25 -0.85 0.00 0.66 -0.00 -1.26 -4.77 117.44 110.97 1sgf n TRP 215 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 1sgf n TRP 215 Cb 0.00 -1.84 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 1sgf n TRP 215 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sgf n GLY 216 N 1.20 2.07 3.75 5.87 0.00 -1.26 -4.48 105.19 112.33 1sgf n GLY 216 Ca 0.08 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1sgf n GLY 216 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sgf s PRO 217 N -1.82 4.12 0.16 1.61 0.02 -1.26 -5.00 135.00 132.84 1sgf s PRO 217 Ca 0.00 2.58 0.09 0.00 0.02 0.00 0.00 61.00 63.70 1sgf s PRO 217 Cb 0.00 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 1sgf s PRO 217 CO 0.00 -0.65 -0.14 -1.21 -0.33 0.00 0.00 177.00 174.67 1sgf s GLU 218 N -0.27 1.91 0.25 5.54 2.02 -1.26 -3.17 118.70 123.72 1sgf s GLU 218 Ca 0.65 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 1sgf s GLU 218 Cb -0.48 -2.11 0.26 0.00 0.10 0.00 0.00 34.13 31.91 1sgf s GLU 218 CO 0.46 0.44 1.93 -1.00 0.02 0.00 0.00 175.26 177.11 1sgf h PRO 219 N 3.17 1.31 -4.13 0.39 0.13 -1.95 -3.49 132.00 127.44 1sgf h PRO 219 Ca -0.47 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.44 1sgf h PRO 219 Cb 1.19 -0.29 -0.14 0.00 0.13 0.00 0.00 31.00 31.89 1sgf h PRO 219 CO 0.51 0.86 -0.50 0.00 -0.23 0.00 0.00 178.00 178.65 1sgf n GLY 221 N -0.11 0.97 3.92 0.00 0.00 -1.21 -4.76 105.19 104.01 1sgf n GLY 221 Ca -0.08 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 1sgf n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgf s GLU 222 N 0.43 2.94 0.65 1.61 2.02 -1.26 -4.99 118.70 120.10 1sgf s GLU 222 Ca 0.00 -0.04 0.12 0.00 0.02 0.00 0.00 54.97 55.07 1sgf s GLU 222 Cb 0.00 -2.29 0.59 0.00 0.10 0.00 0.00 34.13 32.52 1sgf s GLU 222 CO 0.00 -0.66 1.31 -1.35 0.02 0.00 0.00 175.26 174.58 1sgf h PRO 222 N -0.13 0.00 0.00 0.39 0.11 -1.98 -2.95 132.00 127.44 1sgf h PRO 222 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sgf h PRO 222 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sgf h PRO 222 CO 0.60 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.80 1sgf n THR 223 N -2.74 0.00 -2.30 -1.15 -1.04 -1.26 -4.91 114.28 100.88 1sgf n THR 223 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1sgf n THR 223 Cb 0.89 0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 70.11 1sgf n THR 223 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1sgf s GLU 224 N 0.00 4.27 0.90 -2.82 2.12 -1.12 -4.94 118.70 117.11 1sgf s GLU 224 Ca 0.00 1.85 -0.11 0.00 0.36 0.00 0.00 54.97 57.07 1sgf s GLU 224 Cb 0.00 -3.68 0.13 0.00 0.26 0.00 0.00 34.13 30.84 1sgf s GLU 224 CO 0.00 -0.62 1.09 -2.14 -0.54 0.00 0.00 175.26 173.05 1sgf s PRO 225 N 2.88 1.26 0.18 4.30 0.02 -1.26 -4.55 135.00 137.84 1sgf s PRO 225 Ca 0.61 0.95 0.07 0.00 0.02 0.00 0.00 61.00 62.65 1sgf s PRO 225 Cb -0.28 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1sgf s PRO 225 CO 0.23 -2.28 0.06 -1.12 -0.33 0.00 0.00 177.00 173.56 1sgf s SER 226 N -3.29 5.07 -0.17 2.53 0.01 -0.51 -4.97 113.70 112.36 1sgf s SER 226 Ca 0.64 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 1sgf s SER 226 Cb -0.19 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 1sgf s SER 226 CO 0.57 0.07 -0.04 -0.69 0.41 0.00 0.00 173.24 173.56 1sgf s VAL 227 N -1.81 3.69 0.16 3.43 1.01 -1.26 -1.91 120.40 123.70 1sgf s VAL 227 Ca 0.29 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1sgf s VAL 227 Cb -0.09 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1sgf s VAL 227 CO 0.21 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.40 1sgf s TYR 228 N 0.72 2.73 -0.36 5.22 1.51 -0.73 -1.88 117.35 124.56 1sgf s TYR 228 Ca -0.02 -0.17 -0.26 0.00 -1.01 0.00 0.00 57.07 55.60 1sgf s TYR 228 Cb -0.15 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1sgf s TYR 228 CO 0.02 0.49 0.96 0.99 -1.11 0.00 0.00 175.55 176.90 1sgf s THR 229 N -1.58 4.56 0.02 -0.71 2.01 0.13 -0.12 115.64 119.94 1sgf s THR 229 Ca 0.25 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1sgf s THR 229 Cb -0.10 -4.36 -0.08 0.00 0.01 0.00 0.00 72.50 67.98 1sgf s THR 229 CO 0.16 -0.54 1.88 -0.75 -0.69 0.00 0.00 174.62 174.67 1sgf s LYS 230 N 3.54 4.15 0.02 4.92 2.20 -1.13 -2.58 119.74 130.88 1sgf s LYS 230 Ca 0.40 2.50 -0.17 0.00 -0.36 0.00 0.00 55.97 58.34 1sgf s LYS 230 Cb -0.12 -4.08 -0.28 0.00 -1.51 0.00 0.00 37.83 31.85 1sgf s LYS 230 CO 0.19 -0.92 1.07 -0.07 -0.36 0.00 0.00 175.35 175.26 1sgf h LEU 231 N 10.37 0.72 -0.67 5.43 3.38 -1.85 -3.35 115.31 129.33 1sgf h LEU 231 Ca -0.47 -0.82 0.15 0.00 0.09 0.00 0.00 57.88 56.82 1sgf h LEU 231 Cb 1.22 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1sgf h LEU 231 CO 0.94 1.47 0.01 0.40 0.09 0.00 0.00 178.44 181.35 1sgf h ILE 232 N 0.07 0.44 0.00 1.22 2.04 -1.92 0.18 117.51 119.53 1sgf h ILE 232 Ca -0.15 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1sgf h ILE 232 Cb 1.69 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1sgf h ILE 232 CO 0.19 0.02 0.48 0.50 0.00 0.00 0.00 178.15 179.35 1sgf h LYS 233 N 0.12 0.00 0.00 2.37 1.63 -1.98 0.13 116.57 118.84 1sgf h LYS 233 Ca 0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1sgf h LYS 233 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1sgf h LYS 233 CO -0.58 0.00 -0.02 1.19 -3.45 0.00 0.00 179.45 176.59 1sgf n PHE 234 N -2.51 0.00 -0.26 1.91 3.01 0.58 -4.84 117.46 115.35 1sgf n PHE 234 Ca -0.01 -0.53 -0.01 0.00 1.01 0.00 0.00 57.45 57.91 1sgf n PHE 234 Cb 0.51 -0.07 0.10 0.00 -0.01 0.00 0.00 39.48 40.02 1sgf n PHE 234 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1sgf h SER 235 N 0.00 0.68 0.60 4.37 0.87 -0.30 -1.82 113.55 117.95 1sgf h SER 235 Ca 0.00 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1sgf h SER 235 Cb 0.71 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1sgf h SER 235 CO 0.00 0.45 -0.31 0.77 -0.53 0.00 0.00 176.83 177.21 1sgf h SER 236 N 0.81 0.00 -0.13 6.23 4.64 -1.88 -2.53 113.55 120.68 1sgf h SER 236 Ca 0.32 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 1sgf h SER 236 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1sgf h SER 236 CO -0.16 0.31 -0.45 -0.25 -0.87 0.00 0.00 176.83 175.41 1sgf h TRP 237 N 0.00 0.72 -0.15 4.77 7.01 -1.71 -2.69 115.95 123.89 1sgf h TRP 237 Ca -0.00 -0.29 -0.02 0.00 2.11 0.00 0.00 58.89 60.69 1sgf h TRP 237 Cb 0.69 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1sgf h TRP 237 CO 0.00 1.06 0.03 0.82 -2.79 0.00 0.00 178.44 177.56 1sgf h ILE 238 N 0.17 1.22 -0.02 2.65 2.04 -1.35 -0.24 117.51 121.98 1sgf h ILE 238 Ca -0.02 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1sgf h ILE 238 Cb 1.08 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1sgf h ILE 238 CO 0.10 0.21 0.02 0.03 0.00 0.00 0.00 178.15 178.50 1sgf h ARG 239 N 0.04 0.00 0.08 2.37 3.08 -1.53 -0.61 114.38 117.81 1sgf h ARG 239 Ca 0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1sgf h ARG 239 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 1sgf h ARG 239 CO 0.00 0.00 -0.54 1.49 -1.07 0.00 0.00 179.97 179.85 1sgf h GLU 240 N 0.00 0.23 0.00 0.04 4.81 -1.09 -2.65 114.58 115.92 1sgf h GLU 240 Ca 0.01 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1sgf h GLU 240 Cb 0.04 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1sgf h GLU 240 CO -0.00 1.14 -0.13 1.15 -0.73 0.00 0.00 179.01 180.43 1sgf h THR 241 N -0.50 0.48 0.00 0.32 2.02 -0.60 -2.22 112.91 112.41 1sgf h THR 241 Ca -0.09 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 1sgf h THR 241 Cb 1.39 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1sgf h THR 241 CO 0.10 0.13 -0.72 0.24 0.37 0.00 0.00 175.52 175.64 1sgf h MET 242 N 0.00 0.00 -0.20 6.66 2.86 -1.13 -3.13 114.93 119.99 1sgf h MET 242 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sgf h MET 242 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1sgf h MET 242 CO 0.02 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1sgf n ALA 243 N -2.27 2.44 -0.13 6.32 0.00 -0.94 -4.35 120.51 121.58 1sgf n ALA 243 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1sgf n ALA 243 Cb 0.78 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1sgf n ALA 243 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sgf n ASN 244 N 1.42 1.02 -0.21 0.00 3.02 -0.88 -4.76 115.26 114.87 1sgf n ASN 244 Ca 0.17 -1.15 0.06 0.00 -0.03 0.00 0.00 54.58 53.63 1sgf n ASN 244 Cb 0.60 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.86 1sgf n ASN 244 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sgf n ASN 245 N -0.08 1.55 0.00 6.41 3.02 -1.18 -5.06 115.26 119.92 1sgf n ASN 245 Ca 0.00 -2.68 0.11 0.00 -0.03 0.00 0.00 54.58 51.98 1sgf n ASN 245 Cb 0.08 -0.34 0.67 0.00 -0.61 0.00 0.00 39.78 39.58 1sgf n ASN 245 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99