#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doz n SER 10 N 0.00 0.79 -3.89 1.08 2.88 -1.26 -4.77 113.62 108.45 3doz n SER 10 Ca 0.00 -0.37 -0.20 0.00 -1.33 0.00 0.00 58.87 56.97 3doz n SER 10 Cb 0.00 0.89 -0.16 0.00 -0.75 0.00 0.00 64.21 64.19 3doz n SER 10 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3doz s GLN 11 N -1.05 0.83 0.01 -1.46 0.74 -1.26 -2.25 119.66 115.22 3doz s GLN 11 Ca 0.00 -0.10 0.05 0.00 0.05 0.00 0.00 55.36 55.36 3doz s GLN 11 Cb 0.00 -0.85 -0.02 0.00 1.10 0.00 0.00 33.01 33.25 3doz s GLN 11 CO 0.00 -0.09 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.43 3doz s PHE 12 N 0.94 1.44 0.38 1.67 0.40 -0.29 -4.98 117.98 117.54 3doz s PHE 12 Ca -0.11 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 3doz s PHE 12 Cb -0.14 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 3doz s PHE 12 CO 0.00 0.02 0.43 -0.06 0.70 0.00 0.00 175.22 176.31 3doz s PHE 13 N -0.60 2.86 0.45 0.36 0.40 -1.26 -0.49 117.98 119.71 3doz s PHE 13 Ca 0.05 -0.37 0.29 0.00 -0.60 0.00 0.00 56.93 56.31 3doz s PHE 13 Cb -0.07 -2.11 1.39 0.00 0.51 0.00 0.00 43.02 42.73 3doz s PHE 13 CO 0.00 -0.11 1.67 0.97 0.70 0.00 0.00 175.22 178.45 3doz h ILE 14 N 0.94 0.23 0.00 0.64 6.09 -1.89 0.55 117.51 124.07 3doz h ILE 14 Ca -0.43 -0.05 -0.06 0.00 -1.37 0.00 0.00 64.86 62.95 3doz h ILE 14 Cb 1.27 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 3doz h ILE 14 CO 0.53 0.03 -0.31 -0.33 -3.07 0.00 0.00 178.15 175.00 3doz h GLU 15 N 0.14 0.00 0.10 2.19 3.07 -1.95 -1.85 114.58 116.29 3doz h GLU 15 Ca 0.76 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.35 3doz h GLU 15 Cb 2.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.30 3doz h GLU 15 CO -0.33 0.31 -1.22 0.45 -1.40 0.00 0.00 179.01 176.82 3doz h HIS 16 N 0.00 0.38 -0.45 4.33 3.86 -0.29 -3.23 115.15 119.75 3doz h HIS 16 Ca -0.00 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 3doz h HIS 16 Cb 0.76 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 3doz h HIS 16 CO 0.00 1.22 -0.14 0.82 0.86 0.00 0.00 177.93 180.69 3doz h ILE 17 N 0.06 1.27 0.00 2.45 2.04 -1.09 -2.73 117.51 119.51 3doz h ILE 17 Ca -0.12 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3doz h ILE 17 Cb 1.93 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3doz h ILE 17 CO 0.18 0.44 0.00 -0.07 0.00 0.00 0.00 178.15 178.70 3doz h LEU 18 N 0.73 0.00 0.00 1.44 3.38 -1.42 0.76 115.31 120.21 3doz h LEU 18 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3doz h LEU 18 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3doz h LEU 18 CO 0.05 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.71 3doz n GLN 19 N -2.91 0.19 -0.08 1.13 6.02 -1.04 -4.52 117.38 116.16 3doz n GLN 19 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 3doz n GLN 19 Cb 0.15 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 3doz n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3doz n ILE 20 N -1.82 0.92 -2.91 5.09 2.08 -0.70 -4.31 119.36 117.72 3doz n ILE 20 Ca 0.03 -0.24 -0.37 0.00 0.56 0.00 0.00 62.75 62.73 3doz n ILE 20 Cb 0.40 -1.72 -0.06 0.00 -0.75 0.00 0.00 39.64 37.51 3doz n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3doz s LEU 21 N -6.90 4.42 0.16 1.39 1.43 0.18 -4.83 118.68 114.53 3doz s LEU 21 Ca -0.24 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3doz s LEU 21 Cb 0.09 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3doz s LEU 21 CO 0.30 0.04 1.37 1.55 0.23 0.00 0.00 176.35 179.83 3doz h PRO 22 N 3.56 0.14 -6.37 1.29 0.13 -1.88 -3.44 132.00 125.43 3doz h PRO 22 Ca -0.47 -0.17 -0.60 0.00 -0.87 0.00 0.00 66.00 63.89 3doz h PRO 22 Cb 1.20 0.05 0.15 0.00 0.13 0.00 0.00 31.00 32.53 3doz h PRO 22 CO 0.66 0.94 -0.39 0.72 -0.23 0.00 0.00 178.00 179.70 3doz n HIS 23 N -3.60 -0.50 -4.15 1.56 8.25 -1.26 -5.02 115.22 110.49 3doz n HIS 23 Ca -0.03 0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 57.87 3doz n HIS 23 Cb 0.83 -1.99 -0.08 0.00 1.12 0.00 0.00 29.99 29.87 3doz n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3doz s ARG 24 N -1.68 1.48 0.29 -0.41 1.81 -1.26 -4.68 118.95 114.50 3doz s ARG 24 Ca 0.64 -1.62 -0.30 0.00 -1.72 0.00 0.00 55.73 52.73 3doz s ARG 24 Cb -0.57 0.35 -0.12 0.00 -0.45 0.00 0.00 34.95 34.16 3doz s ARG 24 CO 0.58 -0.55 1.53 0.98 -0.68 0.00 0.00 175.30 177.15 3doz n TYR 25 N -0.40 2.65 -1.12 -0.53 4.19 -1.26 0.14 117.16 120.84 3doz n TYR 25 Ca 0.02 0.33 -0.27 0.00 3.31 0.00 0.00 57.90 61.28 3doz n TYR 25 Cb 0.64 -2.55 0.09 0.00 0.49 0.00 0.00 39.34 38.01 3doz n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3doz n PRO 26 N 1.95 2.33 -0.09 2.98 -0.04 -1.26 -4.93 135.00 135.94 3doz n PRO 26 Ca 0.09 -2.73 0.05 0.00 -0.04 0.00 0.00 63.50 60.86 3doz n PRO 26 Cb 0.35 -2.07 0.06 0.00 -0.04 0.00 0.00 33.50 31.81 3doz n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3doz n MET 27 N -0.67 1.61 -3.30 0.54 2.81 0.37 -4.92 117.12 113.56 3doz n MET 27 Ca 0.53 -1.86 -0.45 0.00 -1.81 0.00 0.00 57.70 54.11 3doz n MET 27 Cb 0.90 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 32.22 3doz n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3doz s LEU 28 N -1.67 5.80 -0.44 4.03 2.96 -1.02 -4.48 118.68 123.85 3doz s LEU 28 Ca 0.15 -1.52 0.04 0.00 -0.22 0.00 0.00 54.13 52.58 3doz s LEU 28 Cb 0.13 -2.23 0.49 0.00 0.50 0.00 0.00 46.19 45.07 3doz s LEU 28 CO 0.01 -0.83 1.63 0.18 -1.32 0.00 0.00 176.35 176.03 3doz n LEU 29 N 5.46 5.93 -3.65 -0.68 4.77 -1.26 -4.89 117.00 122.68 3doz n LEU 29 Ca -0.12 -4.26 -0.24 0.00 -0.03 0.00 0.00 56.01 51.36 3doz n LEU 29 Cb 0.42 -0.69 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 3doz n LEU 29 CO 0.52 1.59 -0.34 -0.69 -1.33 0.00 0.00 177.39 177.14 3doz s VAL 30 N -4.25 -0.02 -0.04 4.08 1.01 -1.26 -4.63 120.40 115.29 3doz s VAL 30 Ca 0.55 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.60 3doz s VAL 30 Cb 0.45 -0.45 -0.25 0.00 0.00 0.00 0.00 36.38 36.13 3doz s VAL 30 CO 0.02 -0.08 0.69 0.44 0.00 0.00 0.00 175.10 176.17 3doz h ASP 31 N 8.41 0.21 -5.00 3.32 3.32 -1.42 -3.48 116.42 121.79 3doz h ASP 31 Ca -0.14 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 3doz h ASP 31 Cb 1.14 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.43 3doz h ASP 31 CO 0.24 1.33 0.00 -0.60 -1.72 0.00 0.00 179.24 178.49 3doz s ARG 32 N -2.60 0.91 -0.21 3.56 3.52 -0.92 -2.97 118.95 120.24 3doz s ARG 32 Ca -0.10 0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 3doz s ARG 32 Cb 0.07 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.87 3doz s ARG 32 CO 0.82 -0.28 -0.02 0.42 -0.81 0.00 0.00 175.30 175.44 3doz s ILE 33 N -1.34 3.71 -0.39 4.11 -1.09 0.36 -1.26 121.20 125.31 3doz s ILE 33 Ca -0.12 -0.39 0.21 0.00 -2.23 0.00 0.00 60.65 58.12 3doz s ILE 33 Cb -0.02 -2.68 -0.28 0.00 -1.58 0.00 0.00 42.46 37.89 3doz s ILE 33 CO 0.07 0.42 0.61 0.35 -1.23 0.00 0.00 174.94 175.16 3doz n THR 34 N 4.52 0.00 -3.70 2.92 -2.24 0.74 -1.13 114.28 115.39 3doz n THR 34 Ca -0.17 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 3doz n THR 34 Cb 0.51 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 3doz n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3doz s GLU 35 N -3.24 0.74 -0.28 -0.78 2.02 -0.78 -4.54 118.70 111.83 3doz s GLU 35 Ca -0.02 0.05 -0.17 0.00 0.02 0.00 0.00 54.97 54.85 3doz s GLU 35 Cb 0.14 0.34 0.08 0.00 0.10 0.00 0.00 34.13 34.79 3doz s GLU 35 CO 0.85 -0.20 0.70 -1.17 0.02 0.00 0.00 175.26 175.47 3doz s LEU 36 N -1.04 -0.92 -0.22 1.80 2.96 -1.14 -1.84 118.68 118.28 3doz s LEU 36 Ca -0.11 1.49 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 3doz s LEU 36 Cb -0.04 2.38 0.08 0.00 0.50 0.00 0.00 46.19 49.11 3doz s LEU 36 CO 0.05 -0.24 0.10 -1.10 -1.32 0.00 0.00 176.35 173.84 3doz s GLN 37 N 1.51 0.19 0.02 1.98 -0.21 -0.50 -4.71 119.66 117.94 3doz s GLN 37 Ca -0.09 -0.31 -0.29 0.00 0.02 0.00 0.00 55.36 54.69 3doz s GLN 37 Cb -0.05 -1.62 -0.15 0.00 1.00 0.00 0.00 33.01 32.20 3doz s GLN 37 CO -0.18 -0.81 0.75 0.00 -2.12 0.00 0.00 175.29 172.94 3doz n ALA 38 N 5.23 -2.82 -1.09 6.09 0.00 -1.26 -0.27 120.51 126.38 3doz n ALA 38 Ca -0.07 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 3doz n ALA 38 Cb 0.46 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 3doz n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3doz n ASN 39 N 1.18 -4.29 0.00 0.00 4.13 -1.26 -4.72 115.26 110.29 3doz n ASN 39 Ca 0.15 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.60 3doz n ASN 39 Cb 0.08 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.08 3doz n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3doz n GLN 40 N -0.62 0.00 -4.01 3.52 1.13 0.62 -4.75 117.38 113.27 3doz n GLN 40 Ca -0.08 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.89 3doz n GLN 40 Cb 0.44 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.72 3doz n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3doz s LYS 41 N -0.46 1.32 -0.12 -1.09 -2.85 -0.90 -0.11 119.74 115.52 3doz s LYS 41 Ca 0.00 -1.28 -0.13 0.00 -1.00 0.00 0.00 55.97 53.57 3doz s LYS 41 Cb 0.00 0.40 0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3doz s LYS 41 CO 0.00 -0.50 0.35 -1.50 0.10 0.00 0.00 175.35 173.80 3doz s ILE 42 N -4.02 0.01 -0.14 3.79 2.07 0.82 -1.40 121.20 122.33 3doz s ILE 42 Ca 0.23 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.42 3doz s ILE 42 Cb 0.02 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.12 3doz s ILE 42 CO 0.05 -0.03 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.22 3doz s VAL 43 N 0.01 1.53 0.25 4.00 1.01 -0.77 -1.23 120.40 125.19 3doz s VAL 43 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3doz s VAL 43 Cb -0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3doz s VAL 43 CO 0.01 0.45 0.27 0.00 0.00 0.00 0.00 175.10 175.83 3doz s ALA 44 N 1.40 0.92 0.15 5.51 0.00 -0.29 -0.19 121.76 129.26 3doz s ALA 44 Ca 0.03 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.30 3doz s ALA 44 Cb -0.13 1.31 0.01 0.00 0.00 0.00 0.00 23.12 24.31 3doz s ALA 44 CO -0.09 -0.68 0.34 1.52 0.00 0.00 0.00 175.76 176.85 3doz s TYR 45 N -3.89 0.10 -0.05 0.00 1.13 -0.39 0.15 117.35 114.40 3doz s TYR 45 Ca 0.35 -0.46 0.00 0.00 -1.41 0.00 0.00 57.07 55.55 3doz s TYR 45 Cb 0.04 0.11 0.02 0.00 -1.10 0.00 0.00 41.96 41.04 3doz s TYR 45 CO 0.15 -0.72 -0.02 0.21 -2.51 0.00 0.00 175.55 172.65 3doz s LYS 46 N -3.89 0.63 0.33 -3.49 2.20 -0.82 -1.01 119.74 113.69 3doz s LYS 46 Ca 0.10 0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 3doz s LYS 46 Cb 0.02 -0.79 -0.09 0.00 -1.51 0.00 0.00 37.83 35.46 3doz s LYS 46 CO -0.06 -0.16 1.00 -0.80 -0.36 0.00 0.00 175.35 174.97 3doz s ASN 47 N 1.27 7.18 -0.21 1.43 0.01 -1.26 -2.06 114.94 121.30 3doz s ASN 47 Ca -0.06 1.98 -0.06 0.00 -0.71 0.00 0.00 52.86 54.01 3doz s ASN 47 Cb -0.13 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.91 3doz s ASN 47 CO -0.02 -0.19 0.02 -0.63 -1.51 0.00 0.00 177.10 174.78 3doz s ILE 48 N -1.52 4.10 0.06 0.60 -1.09 0.02 -4.94 121.20 118.43 3doz s ILE 48 Ca 0.51 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 3doz s ILE 48 Cb -0.22 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 3doz s ILE 48 CO 0.28 0.41 -0.07 0.28 -1.23 0.00 0.00 174.94 174.61 3doz s THR 49 N 1.12 0.57 0.52 2.92 -1.32 -1.26 0.11 115.64 118.29 3doz s THR 49 Ca 0.03 -1.32 0.22 0.00 -1.21 0.00 0.00 61.69 59.42 3doz s THR 49 Cb -0.14 -0.90 0.29 0.00 -1.51 0.00 0.00 72.50 70.23 3doz s THR 49 CO 0.02 -0.52 2.15 0.15 -2.21 0.00 0.00 174.62 174.20 3doz h PHE 50 N 4.07 0.00 0.00 9.09 3.57 -1.96 -3.10 116.94 128.62 3doz h PHE 50 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3doz h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3doz h PHE 50 CO 0.63 0.06 0.00 -1.71 -2.23 0.00 0.00 178.31 175.06 3doz n ASN 51 N -4.11 2.30 -4.26 0.41 4.05 -1.26 -4.72 115.26 107.67 3doz n ASN 51 Ca -0.03 -1.47 -0.32 0.00 0.45 0.00 0.00 54.58 53.22 3doz n ASN 51 Cb 0.14 -0.46 -0.17 0.00 1.23 0.00 0.00 39.78 40.52 3doz n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3doz s GLU 52 N 0.81 2.65 0.40 1.20 2.02 -1.17 -5.04 118.70 119.57 3doz s GLU 52 Ca 0.00 -0.90 0.14 0.00 0.02 0.00 0.00 54.97 54.23 3doz s GLU 52 Cb 0.00 -2.19 0.97 0.00 0.10 0.00 0.00 34.13 33.01 3doz s GLU 52 CO 0.00 0.34 1.89 0.22 0.02 0.00 0.00 175.26 177.73 3doz h ASP 53 N 6.19 0.49 -0.30 -0.19 3.58 -1.93 -2.28 116.42 121.98 3doz h ASP 53 Ca -0.29 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.26 3doz h ASP 53 Cb 1.19 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 3doz h ASP 53 CO 0.47 0.24 0.21 -0.37 -2.88 0.00 0.00 179.24 176.91 3doz h VAL 54 N 0.51 0.89 0.00 2.25 -1.51 -1.96 -1.17 116.25 115.26 3doz h VAL 54 Ca 0.41 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.83 3doz h VAL 54 Cb 0.85 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3doz h VAL 54 CO -0.16 0.01 -0.12 -0.26 -1.23 0.00 0.00 177.57 175.82 3doz h PHE 55 N 0.08 0.00 -0.91 5.19 0.05 -1.68 -1.98 116.94 117.68 3doz h PHE 55 Ca 0.14 0.00 0.19 0.00 3.82 0.00 0.00 57.97 62.12 3doz h PHE 55 Cb 0.45 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.33 3doz h PHE 55 CO -0.00 0.12 0.59 -0.91 -0.18 0.00 0.00 178.31 177.93 3doz h ASN 56 N 0.00 0.51 0.00 2.17 2.35 -1.36 -3.04 115.58 116.21 3doz h ASN 56 Ca -0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3doz h ASN 56 Cb 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3doz h ASN 56 CO 0.02 0.21 -0.04 0.61 -1.65 0.00 0.00 177.43 176.58 3doz n GLY 57 N -1.47 2.51 2.40 2.83 0.00 -0.84 -4.37 105.19 106.25 3doz n GLY 57 Ca 0.19 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3doz n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3doz n HIS 58 N -0.66 -1.42 -4.48 1.61 -0.00 -0.81 -4.55 115.22 104.91 3doz n HIS 58 Ca 0.05 -2.94 -0.23 0.00 -0.00 0.00 0.00 57.72 54.60 3doz n HIS 58 Cb 0.43 0.35 -0.10 0.00 -0.00 0.00 0.00 29.99 30.67 3doz n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3doz s PHE 59 N -0.31 2.01 0.08 1.57 0.08 -0.37 -1.09 117.98 119.94 3doz s PHE 59 Ca 0.33 -0.95 -0.31 0.00 0.12 0.00 0.00 56.93 56.12 3doz s PHE 59 Cb 0.13 -1.33 -0.10 0.00 -0.57 0.00 0.00 43.02 41.15 3doz s PHE 59 CO -0.15 0.04 1.90 -2.30 -0.10 0.00 0.00 175.22 174.60 3doz n PRO 60 N -0.74 2.80 -0.86 0.24 -0.02 -1.26 -1.80 135.00 133.35 3doz n PRO 60 Ca -0.03 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3doz n PRO 60 Cb 0.67 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3doz n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doz n ASN 61 N 6.51 -2.51 -3.13 2.55 3.02 -1.26 -4.87 115.26 115.57 3doz n ASN 61 Ca 0.19 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 3doz n ASN 61 Cb 0.38 -1.87 -0.05 0.00 -0.61 0.00 0.00 39.78 37.64 3doz n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3doz n LYS 62 N -1.30 0.49 -1.63 3.52 4.81 -0.74 -5.11 118.16 118.19 3doz n LYS 62 Ca 0.00 -2.79 -0.44 0.00 -0.87 0.00 0.00 58.31 54.21 3doz n LYS 62 Cb 0.15 -1.46 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 3doz n LYS 62 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3doz n PRO 63 N 2.24 2.30 -3.69 1.64 -0.02 -1.24 -1.23 135.00 135.01 3doz n PRO 63 Ca 0.22 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 62.24 3doz n PRO 63 Cb 0.53 -2.97 -0.17 0.00 -0.02 0.00 0.00 33.50 30.87 3doz n PRO 63 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3doz s ILE 64 N 5.84 0.15 0.12 4.25 1.01 -0.25 -4.60 121.20 127.72 3doz s ILE 64 Ca 0.95 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 3doz s ILE 64 Cb -0.49 -0.56 -0.10 0.00 0.01 0.00 0.00 42.46 41.32 3doz s ILE 64 CO 0.43 -0.02 1.76 0.12 0.00 0.00 0.00 174.94 177.22 3doz s PHE 65 N 2.05 2.34 0.33 3.97 5.36 0.92 -4.57 117.98 128.38 3doz s PHE 65 Ca 0.03 0.14 -0.28 0.00 -0.96 0.00 0.00 56.93 55.86 3doz s PHE 65 Cb -0.14 -4.10 -0.13 0.00 -0.34 0.00 0.00 43.02 38.31 3doz s PHE 65 CO -0.06 -4.45 1.20 -2.30 -1.46 0.00 0.00 175.22 168.14 3doz n PRO 66 N 5.41 1.87 -0.11 10.12 -0.02 -1.26 -4.57 135.00 146.43 3doz n PRO 66 Ca 0.17 0.65 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 3doz n PRO 66 Cb 0.39 -2.17 0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3doz n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3doz h GLY 67 N 2.34 0.91 1.44 -1.23 0.00 -1.99 -2.62 103.07 101.92 3doz h GLY 67 Ca -0.44 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.09 3doz h GLY 67 CO 0.62 0.69 0.12 -0.39 0.00 0.00 0.00 176.54 177.57 3doz h VAL 68 N 0.74 1.20 0.00 4.60 -1.51 -2.00 -1.98 116.25 117.30 3doz h VAL 68 Ca 0.11 -0.73 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 3doz h VAL 68 Cb 0.70 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 3doz h VAL 68 CO 0.05 0.27 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.34 3doz h LEU 69 N 0.69 0.00 -0.34 4.19 3.38 -1.85 -1.34 115.31 120.05 3doz h LEU 69 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3doz h LEU 69 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3doz h LEU 69 CO -0.00 0.25 -0.16 0.40 0.09 0.00 0.00 178.44 179.02 3doz h ILE 70 N 0.00 1.29 -0.30 1.22 2.04 -1.10 -1.29 117.51 119.37 3doz h ILE 70 Ca -0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3doz h ILE 70 Cb 0.61 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3doz h ILE 70 CO 0.03 0.41 0.20 0.58 0.00 0.00 0.00 178.15 179.38 3doz h VAL 71 N 0.49 1.08 -0.46 1.67 2.07 -1.16 -1.58 116.25 118.35 3doz h VAL 71 Ca 0.08 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3doz h VAL 71 Cb 0.69 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3doz h VAL 71 CO 0.05 0.07 0.09 -0.08 0.02 0.00 0.00 177.57 177.72 3doz h GLU 72 N 0.41 0.21 -0.95 1.57 4.57 -1.06 0.96 114.58 120.30 3doz h GLU 72 Ca 0.11 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 3doz h GLU 72 Cb -0.05 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 3doz h GLU 72 CO -0.02 0.14 0.62 0.78 -1.18 0.00 0.00 179.01 179.34 3doz h GLY 73 N 0.22 1.39 0.95 1.92 0.00 -0.70 0.39 103.07 107.24 3doz h GLY 73 Ca 0.23 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3doz h GLY 73 CO -0.30 0.39 -0.02 -0.33 0.00 0.00 0.00 176.54 176.28 3doz h MET 74 N 1.19 0.72 -0.80 4.80 2.86 -0.56 -1.19 114.93 121.95 3doz h MET 74 Ca 0.38 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3doz h MET 74 Cb 0.02 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3doz h MET 74 CO -0.13 0.82 0.53 0.00 1.06 0.00 0.00 176.91 179.19 3doz h ALA 75 N 0.87 1.03 -0.07 6.32 0.00 0.41 -0.02 119.26 127.80 3doz h ALA 75 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3doz h ALA 75 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3doz h ALA 75 CO 0.02 0.40 -0.37 1.96 0.00 0.00 0.00 179.25 181.26 3doz h GLN 76 N 1.06 0.15 -0.25 0.00 4.20 -0.09 0.13 115.11 120.31 3doz h GLN 76 Ca 0.30 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 3doz h GLN 76 Cb -0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3doz h GLN 76 CO -0.08 0.50 -0.01 0.77 -0.67 0.00 0.00 178.83 179.34 3doz h SER 77 N 0.13 0.44 -0.58 1.46 0.02 -0.06 -2.25 113.55 112.71 3doz h SER 77 Ca 0.01 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3doz h SER 77 Cb 0.72 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3doz h SER 77 CO 0.05 0.66 0.38 1.23 -1.14 0.00 0.00 176.83 178.01 3doz h GLY 78 N 0.22 0.83 0.32 -3.77 0.00 -0.69 -1.81 103.07 98.17 3doz h GLY 78 Ca 0.07 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.19 3doz h GLY 78 CO 0.02 0.31 0.32 -1.33 0.00 0.00 0.00 176.54 175.86 3doz h GLY 79 N 0.79 1.07 1.00 4.60 0.00 -0.77 0.56 103.07 110.32 3doz h GLY 79 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3doz h GLY 79 CO -0.04 -0.02 0.36 -2.75 0.00 0.00 0.00 176.54 174.09 3doz h PHE 80 N 0.51 0.74 0.05 5.60 3.57 -0.75 0.16 116.94 126.83 3doz h PHE 80 Ca 0.37 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 3doz h PHE 80 Cb 0.48 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3doz h PHE 80 CO -0.14 0.49 -0.03 1.25 -2.23 0.00 0.00 178.31 177.66 3doz h LEU 81 N 0.77 -0.06 -0.17 0.59 5.85 -0.34 -2.04 115.31 119.91 3doz h LEU 81 Ca 0.21 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3doz h LEU 81 Cb -0.04 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3doz h LEU 81 CO -0.04 0.02 -0.03 0.00 -0.34 0.00 0.00 178.44 178.05 3doz h ALA 82 N 0.81 0.13 -0.09 1.25 0.00 0.50 -1.96 119.26 119.89 3doz h ALA 82 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3doz h ALA 82 Cb 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3doz h ALA 82 CO 0.01 -0.47 0.05 0.35 0.00 0.00 0.00 179.25 179.20 3doz h PHE 83 N 0.02 0.13 0.00 0.00 3.57 -0.59 -2.31 116.94 117.76 3doz h PHE 83 Ca 0.08 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 3doz h PHE 83 Cb 0.12 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3doz h PHE 83 CO -0.19 0.19 -0.35 1.79 -2.23 0.00 0.00 178.31 177.52 3doz h THR 84 N 0.04 0.96 -0.10 4.41 1.35 -1.35 -1.01 112.91 117.22 3doz h THR 84 Ca 0.03 -1.36 -0.15 0.00 -0.55 0.00 0.00 66.41 64.39 3doz h THR 84 Cb 0.10 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3doz h THR 84 CO -0.00 0.35 -0.58 0.28 -0.25 0.00 0.00 175.52 175.31 3doz h SER 85 N 0.00 0.36 0.05 5.36 0.02 -1.24 0.21 113.55 118.31 3doz h SER 85 Ca -0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3doz h SER 85 Cb 0.77 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3doz h SER 85 CO 0.05 0.86 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.50 3doz h LEU 86 N 0.24 -0.06 -2.08 5.07 4.07 -0.88 -3.40 115.31 118.27 3doz h LEU 86 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3doz h LEU 86 Cb 1.08 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.84 3doz h LEU 86 CO 0.09 -0.02 0.00 0.79 -1.08 0.00 0.00 178.44 178.22 3doz n TRP 87 N -2.32 0.24 -4.22 1.13 8.01 -0.43 -5.10 117.44 114.74 3doz n TRP 87 Ca -0.01 -0.21 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3doz n TRP 87 Cb 0.03 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 3doz n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3doz n GLY 88 N 0.77 -1.12 3.21 6.99 0.00 0.75 -4.16 105.19 111.63 3doz n GLY 88 Ca 0.11 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 3doz n GLY 88 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3doz n PHE 89 N -0.08 4.12 -3.75 1.61 7.35 -1.26 -4.21 117.46 121.23 3doz n PHE 89 Ca 0.00 -3.02 -0.35 0.00 -0.76 0.00 0.00 57.45 53.32 3doz n PHE 89 Cb 0.00 -2.30 -0.10 0.00 0.35 0.00 0.00 39.48 37.43 3doz n PHE 89 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3doz s ASP 90 N 2.72 5.23 0.29 -2.13 -1.08 -1.26 -4.95 116.67 115.49 3doz s ASP 90 Ca 0.45 -3.18 0.04 0.00 -0.52 0.00 0.00 52.55 49.34 3doz s ASP 90 Cb 0.05 -1.82 0.68 0.00 -1.46 0.00 0.00 42.92 40.37 3doz s ASP 90 CO 0.01 -0.28 1.76 -0.65 0.52 0.00 0.00 175.17 176.53 3doz h PRO 91 N 6.55 0.65 -0.81 4.34 0.11 -1.90 -1.23 132.00 139.71 3doz h PRO 91 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3doz h PRO 91 Cb 0.89 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 3doz h PRO 91 CO 0.74 0.43 0.51 1.49 -0.21 0.00 0.00 178.00 180.96 3doz h GLU 92 N 0.67 1.09 -0.01 1.05 4.57 -1.92 0.37 114.58 120.38 3doz h GLU 92 Ca 0.54 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.48 3doz h GLU 92 Cb 0.86 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 3doz h GLU 92 CO -0.40 0.74 -0.63 0.82 -1.18 0.00 0.00 179.01 178.36 3doz h ILE 93 N 1.11 1.41 -0.00 2.32 2.04 -1.73 -3.23 117.51 119.43 3doz h ILE 93 Ca 0.30 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3doz h ILE 93 Cb -0.09 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3doz h ILE 93 CO -0.06 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.70 3doz h ALA 94 N 0.35 1.98 -0.92 1.87 0.00 -0.75 -2.99 119.26 118.80 3doz h ALA 94 Ca -0.07 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.07 3doz h ALA 94 Cb 1.33 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 3doz h ALA 94 CO 0.12 -0.00 0.40 -0.22 0.00 0.00 0.00 179.25 179.55 3doz h LYS 95 N 0.00 0.36 -0.56 0.00 3.64 -0.30 -2.18 116.57 117.54 3doz h LYS 95 Ca 0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3doz h LYS 95 Cb 0.01 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 3doz h LYS 95 CO -0.00 0.24 0.09 0.25 -2.27 0.00 0.00 179.45 177.76 3doz n THR 96 N -5.07 2.73 -4.17 1.00 -2.24 -1.13 -4.99 114.28 100.41 3doz n THR 96 Ca 0.24 -1.65 -0.25 0.00 -2.27 0.00 0.00 64.05 60.12 3doz n THR 96 Cb 0.71 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3doz n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doz s LYS 97 N -2.89 2.63 0.23 -0.78 -0.14 -0.82 0.47 119.74 118.43 3doz s LYS 97 Ca 0.52 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 3doz s LYS 97 Cb 0.41 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 34.07 3doz s LYS 97 CO 0.13 0.43 0.11 0.96 -0.76 0.00 0.00 175.35 176.22 3doz s ILE 98 N -1.94 0.29 -0.10 2.17 -4.36 0.07 -4.58 121.20 112.76 3doz s ILE 98 Ca 0.30 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3doz s ILE 98 Cb -0.09 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.10 3doz s ILE 98 CO 0.21 -0.02 -0.06 -0.69 0.24 0.00 0.00 174.94 174.62 3doz s VAL 99 N -3.95 0.86 -0.00 8.37 1.01 -1.26 -1.54 120.40 123.90 3doz s VAL 99 Ca 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3doz s VAL 99 Cb 0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3doz s VAL 99 CO 0.12 0.33 0.14 -0.31 0.00 0.00 0.00 175.10 175.39 3doz s TYR 100 N 1.61 3.44 0.12 5.22 2.02 -0.41 -4.92 117.35 124.43 3doz s TYR 100 Ca 0.02 0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.75 3doz s TYR 100 Cb -0.13 -1.79 -0.07 0.00 -0.40 0.00 0.00 41.96 39.58 3doz s TYR 100 CO -0.06 0.61 0.80 0.12 -1.57 0.00 0.00 175.55 175.44 3doz s PHE 101 N -1.28 3.84 -0.17 2.71 5.36 -1.26 -0.22 117.98 126.95 3doz s PHE 101 Ca 0.26 1.60 -0.06 0.00 -0.96 0.00 0.00 56.93 57.77 3doz s PHE 101 Cb -0.12 -2.82 -0.08 0.00 -0.34 0.00 0.00 43.02 39.65 3doz s PHE 101 CO 0.17 0.39 -0.20 -1.33 -1.46 0.00 0.00 175.22 172.80 3doz n MET 102 N 2.17 0.37 -3.70 10.12 2.81 0.91 -4.88 117.12 124.92 3doz n MET 102 Ca -0.04 0.14 -0.14 0.00 -1.81 0.00 0.00 57.70 55.85 3doz n MET 102 Cb 0.49 -1.16 -0.08 0.00 -0.71 0.00 0.00 33.22 31.76 3doz n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3doz s THR 103 N -2.31 0.02 -0.04 2.03 -4.23 -0.86 -4.98 115.64 105.27 3doz s THR 103 Ca -0.23 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.13 3doz s THR 103 Cb 0.08 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 3doz s THR 103 CO 0.32 -0.11 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.46 3doz s ILE 104 N -0.71 1.62 0.01 2.99 1.01 -1.26 -0.82 121.20 124.04 3doz s ILE 104 Ca -0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 3doz s ILE 104 Cb -0.03 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3doz s ILE 104 CO 0.04 0.46 0.17 -1.81 0.00 0.00 0.00 174.94 173.80 3doz s ASP 105 N -0.07 0.02 -1.35 3.58 1.11 -0.14 -4.99 116.67 114.84 3doz s ASP 105 Ca -0.03 -0.24 -0.00 0.00 0.18 0.00 0.00 52.55 52.46 3doz s ASP 105 Cb -0.12 0.23 -0.00 0.00 1.07 0.00 0.00 42.92 44.11 3doz s ASP 105 CO 0.02 -0.43 0.58 0.29 1.18 0.00 0.00 175.17 176.81 3doz n LYS 106 N 1.21 -4.17 -3.64 8.23 5.02 -1.26 -1.76 118.16 121.79 3doz n LYS 106 Ca -0.22 0.53 -0.37 0.00 -2.02 0.00 0.00 58.31 56.23 3doz n LYS 106 Cb 0.56 -4.89 -0.10 0.00 -0.02 0.00 0.00 35.03 30.59 3doz n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3doz s VAL 107 N -3.79 5.35 -0.05 -0.18 -7.23 -1.25 -3.93 120.40 109.32 3doz s VAL 107 Ca 0.01 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.39 3doz s VAL 107 Cb -0.00 -3.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 3doz s VAL 107 CO 0.84 0.32 -0.13 -0.54 -0.31 0.00 0.00 175.10 175.29 3doz s LYS 108 N 1.26 2.54 -0.20 4.82 3.01 -0.61 -4.97 119.74 125.59 3doz s LYS 108 Ca 0.07 -0.67 -0.06 0.00 -1.01 0.00 0.00 55.97 54.30 3doz s LYS 108 Cb -0.14 -2.42 -0.03 0.00 -1.01 0.00 0.00 37.83 34.23 3doz s LYS 108 CO 0.06 0.63 0.02 -0.06 0.51 0.00 0.00 175.35 176.51 3doz s PHE 109 N -0.77 3.08 -0.11 3.18 0.40 -1.26 -1.65 117.98 120.86 3doz s PHE 109 Ca 0.12 -0.32 0.11 0.00 -0.60 0.00 0.00 56.93 56.23 3doz s PHE 109 Cb -0.11 -2.09 -0.15 0.00 0.51 0.00 0.00 43.02 41.18 3doz s PHE 109 CO 0.01 -0.16 0.06 0.54 0.70 0.00 0.00 175.22 176.38 3doz n ARG 110 N 4.13 1.94 -3.81 0.44 1.74 -0.59 -4.99 116.66 115.51 3doz n ARG 110 Ca -0.17 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 3doz n ARG 110 Cb 0.52 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 3doz n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3doz s ILE 111 N -2.33 -0.03 0.40 0.55 1.01 -1.16 -5.03 121.20 114.60 3doz s ILE 111 Ca -0.06 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 3doz s ILE 111 Cb 0.04 -0.08 -0.08 0.00 0.01 0.00 0.00 42.46 42.34 3doz s ILE 111 CO 0.49 0.05 1.20 -2.16 0.00 0.00 0.00 174.94 174.51 3doz s PRO 112 N 0.59 4.02 -0.19 2.79 0.04 -1.26 -4.83 135.00 136.15 3doz s PRO 112 Ca -0.05 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 3doz s PRO 112 Cb -0.07 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 3doz s PRO 112 CO -0.02 -0.37 0.08 0.08 0.04 0.00 0.00 177.00 176.82 3doz s VAL 113 N -1.39 4.97 0.27 -0.36 1.01 -1.26 -5.03 120.40 118.62 3doz s VAL 113 Ca 0.57 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.61 3doz s VAL 113 Cb -0.32 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3doz s VAL 113 CO 0.40 0.45 0.07 0.42 0.00 0.00 0.00 175.10 176.44 3doz s THR 114 N 0.42 0.82 0.28 3.92 -4.23 -1.26 -0.05 115.64 115.53 3doz s THR 114 Ca 0.05 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 3doz s THR 114 Cb -0.12 -2.64 -0.14 0.00 1.34 0.00 0.00 72.50 70.94 3doz s THR 114 CO -0.00 -0.05 1.14 -2.65 -0.54 0.00 0.00 174.62 172.51 3doz n PRO 115 N -0.52 1.58 0.00 3.99 -0.02 -1.26 -1.84 135.00 136.92 3doz n PRO 115 Ca -0.01 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3doz n PRO 115 Cb 0.66 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3doz n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3doz n GLY 116 N 1.34 2.65 3.82 -1.23 0.00 0.12 -4.92 105.19 106.97 3doz n GLY 116 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3doz n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doz s ASP 117 N -1.31 6.74 -0.60 1.61 -0.00 -0.77 -4.88 116.67 117.47 3doz s ASP 117 Ca 0.00 1.70 -0.03 0.00 -0.00 0.00 0.00 52.55 54.23 3doz s ASP 117 Cb 0.00 -2.54 0.15 0.00 -0.00 0.00 0.00 42.92 40.54 3doz s ASP 117 CO 0.00 -0.50 0.41 -0.60 -0.00 0.00 0.00 175.17 174.48 3doz s ARG 118 N -3.41 2.49 -0.64 8.23 3.52 -1.26 -0.79 118.95 127.09 3doz s ARG 118 Ca 0.62 -2.45 -0.27 0.00 -0.13 0.00 0.00 55.73 53.50 3doz s ARG 118 Cb -0.11 -3.71 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 3doz s ARG 118 CO 0.19 -1.16 1.68 -1.17 -0.81 0.00 0.00 175.30 174.02 3doz s LEU 119 N 0.07 3.27 -0.19 -0.88 2.96 -0.87 -4.44 118.68 118.60 3doz s LEU 119 Ca 0.16 0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 54.00 3doz s LEU 119 Cb -0.21 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 3doz s LEU 119 CO -0.03 -2.18 0.65 -0.70 -1.32 0.00 0.00 176.35 172.77 3doz s GLU 120 N 6.56 4.23 -0.18 1.98 2.12 0.99 -1.94 118.70 132.45 3doz s GLU 120 Ca 0.58 0.67 -0.15 0.00 0.36 0.00 0.00 54.97 56.43 3doz s GLU 120 Cb -0.11 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 3doz s GLU 120 CO 0.20 -0.23 0.33 0.71 -0.54 0.00 0.00 175.26 175.73 3doz s TYR 121 N 1.86 3.41 -0.26 5.30 4.12 0.39 0.47 117.35 132.64 3doz s TYR 121 Ca 0.30 0.58 0.02 0.00 0.02 0.00 0.00 57.07 57.99 3doz s TYR 121 Cb -0.16 -2.42 0.06 0.00 -1.52 0.00 0.00 41.96 37.92 3doz s TYR 121 CO 0.11 0.11 -0.07 -1.01 0.02 0.00 0.00 175.55 174.71 3doz s HIS 122 N 0.88 2.95 0.01 2.71 3.76 0.96 -1.14 115.29 125.42 3doz s HIS 122 Ca 0.17 -2.16 0.06 0.00 -0.15 0.00 0.00 55.06 52.98 3doz s HIS 122 Cb -0.14 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 3doz s HIS 122 CO 0.06 -0.85 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.41 3doz s LEU 123 N 1.21 2.10 0.11 0.89 1.43 -0.37 -0.67 118.68 123.38 3doz s LEU 123 Ca -0.06 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 3doz s LEU 123 Cb -0.19 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 3doz s LEU 123 CO -0.06 0.18 -0.16 -1.61 0.23 0.00 0.00 176.35 174.93 3doz s GLU 124 N -0.77 1.02 -0.18 1.70 2.02 -0.19 -0.13 118.70 122.18 3doz s GLU 124 Ca 0.06 -1.18 -0.23 0.00 0.02 0.00 0.00 54.97 53.65 3doz s GLU 124 Cb -0.08 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 3doz s GLU 124 CO 0.00 0.22 0.72 0.08 0.02 0.00 0.00 175.26 176.30 3doz s VAL 125 N -1.74 4.96 -0.08 2.63 1.01 0.84 -1.56 120.40 126.46 3doz s VAL 125 Ca 0.07 1.39 0.15 0.00 0.00 0.00 0.00 61.98 63.58 3doz s VAL 125 Cb -0.07 -4.03 -0.21 0.00 0.00 0.00 0.00 36.38 32.07 3doz s VAL 125 CO 0.03 0.08 0.63 0.18 0.00 0.00 0.00 175.10 176.02 3doz n LEU 126 N 5.05 0.74 -3.64 3.92 4.77 0.19 -4.96 117.00 123.08 3doz n LEU 126 Ca 0.01 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 3doz n LEU 126 Cb 0.49 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 3doz n LEU 126 CO 0.46 0.33 1.12 -0.75 -1.33 0.00 0.00 177.39 177.22 3doz s LYS 127 N -2.68 0.11 -0.28 3.23 2.20 -1.04 -5.00 119.74 116.27 3doz s LYS 127 Ca -0.05 0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.43 3doz s LYS 127 Cb 0.08 0.05 0.10 0.00 -1.51 0.00 0.00 37.83 36.55 3doz s LYS 127 CO 0.82 -0.03 0.79 -3.38 -0.36 0.00 0.00 175.35 173.19 3doz s HIS 128 N -0.98 -0.90 -0.08 4.03 -3.43 -1.26 0.40 115.29 113.07 3doz s HIS 128 Ca 0.08 1.80 -0.00 0.00 -0.80 0.00 0.00 55.06 56.14 3doz s HIS 128 Cb -0.01 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.70 3doz s HIS 128 CO -0.07 -0.44 -0.06 0.15 -2.00 0.00 0.00 174.74 172.32 3doz s LYS 129 N 1.51 1.18 3.99 -0.38 -0.14 -0.73 -5.02 119.74 120.16 3doz s LYS 129 Ca -0.09 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 3doz s LYS 129 Cb -0.05 -1.27 0.00 0.00 -1.68 0.00 0.00 37.83 34.83 3doz s LYS 129 CO -0.18 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 174.62 3doz n GLY 130 N 4.69 2.22 0.09 -3.33 0.00 -1.26 -0.83 105.19 106.78 3doz n GLY 130 Ca -0.14 0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3doz n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3doz n MET 131 N 4.98 0.27 -3.35 1.61 2.81 -1.26 -4.88 117.12 117.31 3doz n MET 131 Ca 0.00 -0.19 -0.38 0.00 -1.81 0.00 0.00 57.70 55.32 3doz n MET 131 Cb 0.00 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 3doz n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3doz s ILE 132 N -2.86 5.17 -0.12 2.02 1.01 -0.01 -1.59 121.20 124.82 3doz s ILE 132 Ca 0.13 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.58 3doz s ILE 132 Cb 0.17 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.90 3doz s ILE 132 CO 0.70 0.23 -0.19 0.26 0.00 0.00 0.00 174.94 175.94 3doz s TRP 133 N 1.40 2.34 -0.41 3.97 0.52 -0.13 -1.77 118.94 124.87 3doz s TRP 133 Ca 0.20 -1.14 -0.13 0.00 0.02 0.00 0.00 56.10 55.06 3doz s TRP 133 Cb -0.15 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.58 3doz s TRP 133 CO 0.09 -0.54 0.27 -0.65 0.02 0.00 0.00 176.95 176.13 3doz s GLN 134 N 0.88 2.86 0.24 4.98 -1.52 0.16 -0.73 119.66 126.53 3doz s GLN 134 Ca -0.07 -1.15 0.09 0.00 -1.95 0.00 0.00 55.36 52.28 3doz s GLN 134 Cb -0.15 -3.87 -0.04 0.00 -0.22 0.00 0.00 33.01 28.72 3doz s GLN 134 CO -0.02 -0.80 -0.04 0.08 -0.25 0.00 0.00 175.29 174.27 3doz s VAL 135 N 1.59 3.35 -0.02 1.09 1.01 0.18 0.52 120.40 128.12 3doz s VAL 135 Ca 0.03 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 59.91 3doz s VAL 135 Cb -0.20 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.49 3doz s VAL 135 CO 0.07 -0.29 0.59 -0.83 0.00 0.00 0.00 175.10 174.64 3doz s GLY 136 N -3.39 -0.48 0.00 4.51 0.00 -0.60 0.25 107.32 107.60 3doz s GLY 136 Ca 0.29 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3doz s GLY 136 CO 0.18 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.56 3doz n GLY 137 N 0.82 -0.64 3.28 0.20 0.00 -0.51 -1.02 105.19 107.32 3doz n GLY 137 Ca -0.19 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3doz n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3doz s THR 138 N -4.00 0.01 -0.07 2.61 -4.23 0.15 -1.87 115.64 108.24 3doz s THR 138 Ca 0.00 -1.87 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3doz s THR 138 Cb 0.00 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 3doz s THR 138 CO 0.00 -0.02 -0.23 0.00 -0.54 0.00 0.00 174.62 173.83 3doz s ALA 139 N -4.12 2.26 0.01 3.99 0.00 0.10 -0.03 121.76 123.97 3doz s ALA 139 Ca 0.35 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3doz s ALA 139 Cb 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3doz s ALA 139 CO 0.11 0.40 -0.06 -0.65 0.00 0.00 0.00 175.76 175.56 3doz s GLN 140 N -0.13 0.44 -0.11 0.00 -0.21 0.18 -1.12 119.66 118.71 3doz s GLN 140 Ca -0.04 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.04 3doz s GLN 140 Cb -0.14 -0.38 0.02 0.00 1.00 0.00 0.00 33.01 33.51 3doz s GLN 140 CO 0.04 0.10 -0.14 0.08 -2.12 0.00 0.00 175.29 173.24 3doz s VAL 141 N -0.40 1.47 -1.29 1.09 1.01 -0.82 -0.01 120.40 121.45 3doz s VAL 141 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3doz s VAL 141 Cb -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3doz s VAL 141 CO -0.00 0.44 0.77 -0.67 0.00 0.00 0.00 175.10 175.63 3doz n ASP 142 N 4.32 -1.47 0.00 3.32 2.03 -1.26 -1.91 116.55 121.58 3doz n ASP 142 Ca -0.18 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.35 3doz n ASP 142 Cb 0.51 -4.27 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 3doz n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3doz n GLY 143 N -1.49 0.02 3.51 0.27 0.00 -1.26 -4.97 105.19 101.26 3doz n GLY 143 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3doz n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3doz s LYS 144 N -1.90 2.66 -0.35 1.61 1.02 -0.80 -5.06 119.74 116.92 3doz s LYS 144 Ca 0.00 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 3doz s LYS 144 Cb 0.00 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3doz s LYS 144 CO 0.00 0.61 1.76 0.08 -0.92 0.00 0.00 175.35 176.88 3doz s VAL 145 N -0.69 3.52 -0.29 3.17 1.01 -1.26 -1.94 120.40 123.91 3doz s VAL 145 Ca 0.10 0.52 0.22 0.00 0.00 0.00 0.00 61.98 62.82 3doz s VAL 145 Cb -0.11 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 3doz s VAL 145 CO 0.01 -0.48 0.80 0.55 0.00 0.00 0.00 175.10 175.99 3doz n VAL 146 N 7.37 0.22 -3.60 2.92 3.14 -0.27 -4.61 118.33 123.49 3doz n VAL 146 Ca 0.22 -0.42 -0.10 0.00 -2.96 0.00 0.00 64.34 61.08 3doz n VAL 146 Cb 0.47 0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.20 3doz n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3doz s ALA 147 N -3.36 -1.95 0.01 1.55 0.00 -0.96 -1.54 121.76 115.50 3doz s ALA 147 Ca -0.02 1.69 0.03 0.00 0.00 0.00 0.00 51.96 53.66 3doz s ALA 147 Cb 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3doz s ALA 147 CO 0.85 -0.28 -0.10 -1.83 0.00 0.00 0.00 175.76 174.39 3doz s GLU 148 N -0.59 0.80 -0.09 0.00 -1.05 -0.66 0.02 118.70 117.13 3doz s GLU 148 Ca 0.00 -0.46 -0.30 0.00 -0.15 0.00 0.00 54.97 54.06 3doz s GLU 148 Cb -0.02 -0.76 0.12 0.00 -0.44 0.00 0.00 34.13 33.02 3doz s GLU 148 CO -0.01 0.20 0.98 0.00 0.95 0.00 0.00 175.26 177.37 3doz s ALA 149 N -0.44 -1.90 0.01 -0.84 0.00 -0.78 -1.57 121.76 116.23 3doz s ALA 149 Ca 0.02 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.35 3doz s ALA 149 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3doz s ALA 149 CO 0.00 -0.52 -0.13 -1.83 0.00 0.00 0.00 175.76 173.28 3doz s GLU 150 N -2.20 1.02 0.07 0.00 -1.05 -0.72 -1.43 118.70 114.38 3doz s GLU 150 Ca 0.03 -0.56 -0.13 0.00 -0.15 0.00 0.00 54.97 54.16 3doz s GLU 150 Cb -0.01 -0.99 0.02 0.00 -0.44 0.00 0.00 34.13 32.70 3doz s GLU 150 CO -0.04 0.26 0.29 -0.48 0.95 0.00 0.00 175.26 176.24 3doz s LEU 151 N -0.58 0.95 -0.15 1.83 0.05 0.14 -0.96 118.68 119.95 3doz s LEU 151 Ca 0.04 -0.32 0.02 0.00 0.05 0.00 0.00 54.13 53.91 3doz s LEU 151 Cb -0.06 1.34 0.01 0.00 -2.05 0.00 0.00 46.19 45.43 3doz s LEU 151 CO 0.00 -0.68 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.17 3doz s LYS 152 N -3.06 3.05 0.31 1.48 2.20 -0.00 0.49 119.74 124.21 3doz s LYS 152 Ca -0.01 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 54.83 3doz s LYS 152 Cb 0.01 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.77 3doz s LYS 152 CO -0.07 -0.05 -0.03 0.00 -0.36 0.00 0.00 175.35 174.85 3doz s ALA 153 N 0.90 2.52 -0.06 3.13 0.00 0.09 -0.07 121.76 128.28 3doz s ALA 153 Ca -0.05 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 49.92 3doz s ALA 153 Cb -0.15 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3doz s ALA 153 CO -0.04 -0.11 -0.07 1.41 0.00 0.00 0.00 175.76 176.96 3doz s MET 154 N -3.74 1.20 -0.10 0.00 1.75 0.69 -0.95 119.30 118.15 3doz s MET 154 Ca 0.32 -0.22 -0.25 0.00 -1.25 0.00 0.00 55.69 54.30 3doz s MET 154 Cb 0.05 -1.13 -0.03 0.00 2.84 0.00 0.00 34.83 36.57 3doz s MET 154 CO 0.14 -0.07 0.77 0.42 -0.65 0.00 0.00 175.02 175.62 3doz s ILE 155 N 0.97 4.97 0.00 10.11 -1.09 -0.62 -1.29 121.20 134.25 3doz s ILE 155 Ca -0.10 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 3doz s ILE 155 Cb -0.15 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3doz s ILE 155 CO 0.00 0.16 -0.02 0.00 -1.23 0.00 0.00 174.94 173.86 3doz s ALA 156 N 1.34 0.10 0.07 9.38 0.00 -0.59 -4.81 121.76 127.25 3doz s ALA 156 Ca 0.39 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 3doz s ALA 156 Cb -0.18 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3doz s ALA 156 CO 0.17 -0.01 1.35 -1.21 0.00 0.00 0.00 175.76 176.05 3doz s GLU 157 N -0.33 4.34 0.25 0.00 0.41 -1.26 -0.75 118.70 121.36 3doz s GLU 157 Ca -0.03 1.97 -0.30 0.00 -0.41 0.00 0.00 54.97 56.20 3doz s GLU 157 Cb -0.02 -3.36 -0.10 0.00 -1.78 0.00 0.00 34.13 28.87 3doz s GLU 157 CO -0.00 -0.43 1.46 0.50 -0.49 0.00 0.00 175.26 176.30 3doz s ARG 158 N 1.43 4.25 0.00 1.61 3.52 0.18 -4.88 118.95 125.06 3doz s ARG 158 Ca 0.63 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 3doz s ARG 158 Cb -0.34 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3doz s ARG 158 CO 0.29 -0.45 0.00 -0.85 -0.81 0.00 0.00 175.30 173.48