#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 1.12 -4.45 1.69 2.88 -1.26 -4.69 113.62 108.90 3doz n SER 10 Ca 0.00 0.16 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 3doz n SER 10 Cb 0.00 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 63.04 3doz n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3doz s GLN 11 N -2.19 3.12 -0.13 -1.46 -1.52 -1.26 -3.67 119.66 112.56 3doz s GLN 11 Ca -0.07 -0.83 -0.04 0.00 -1.95 0.00 0.00 55.36 52.46 3doz s GLN 11 Cb 0.01 -4.21 -0.04 0.00 -0.22 0.00 0.00 33.01 28.56 3doz s GLN 11 CO 0.10 -1.74 0.03 -0.06 -0.25 0.00 0.00 175.29 173.37 3doz s PHE 12 N 3.88 3.23 0.43 0.91 0.40 -0.86 -5.00 117.98 120.97 3doz s PHE 12 Ca 0.22 0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.76 3doz s PHE 12 Cb -0.17 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 3doz s PHE 12 CO 0.11 0.35 0.47 -0.06 0.70 0.00 0.00 175.22 176.79 3doz s PHE 13 N -0.37 2.69 0.40 0.36 0.40 -1.26 -1.12 117.98 119.08 3doz s PHE 13 Ca 0.08 -0.47 0.20 0.00 -0.60 0.00 0.00 56.93 56.15 3doz s PHE 13 Cb -0.12 -2.26 1.17 0.00 0.51 0.00 0.00 43.02 42.32 3doz s PHE 13 CO 0.02 -0.29 1.73 0.97 0.70 0.00 0.00 175.22 178.35 3doz h ILE 14 N 0.83 0.42 -0.92 0.64 6.09 -1.90 0.57 117.51 123.25 3doz h ILE 14 Ca -0.40 -0.11 0.02 0.00 -1.37 0.00 0.00 64.86 62.99 3doz h ILE 14 Cb 1.27 0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.58 3doz h ILE 14 CO 0.52 0.06 0.61 -0.33 -3.07 0.00 0.00 178.15 175.93 3doz h GLU 15 N 0.33 1.19 0.06 2.19 3.07 -1.95 -0.60 114.58 118.87 3doz h GLU 15 Ca 0.65 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 59.20 3doz h GLU 15 Cb 1.74 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3doz h GLU 15 CO -0.35 0.79 -1.08 0.45 -1.40 0.00 0.00 179.01 177.43 3doz h HIS 16 N 1.23 0.53 -0.57 4.33 3.86 -0.33 -3.12 115.15 121.07 3doz h HIS 16 Ca 0.34 -0.33 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3doz h HIS 16 Cb -0.11 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3doz h HIS 16 CO -0.01 1.19 0.20 0.82 0.86 0.00 0.00 177.93 181.00 3doz h ILE 17 N 0.14 1.21 0.00 2.45 2.04 -0.63 -2.01 117.51 120.72 3doz h ILE 17 Ca -0.10 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3doz h ILE 17 Cb 1.75 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3doz h ILE 17 CO 0.18 0.27 -0.31 -0.07 0.00 0.00 0.00 178.15 178.23 3doz h LEU 18 N 0.83 0.00 0.00 1.44 3.38 -1.12 -1.39 115.31 118.45 3doz h LEU 18 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3doz h LEU 18 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3doz h LEU 18 CO -0.01 0.31 -0.02 1.56 0.09 0.00 0.00 178.44 180.36 3doz h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.31 -3.38 115.11 115.76 3doz h GLN 19 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 3doz h GLN 19 Cb 0.54 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3doz h GLN 19 CO 0.04 0.00 -2.02 -0.89 -0.67 0.00 0.00 178.83 175.29 3doz n ILE 20 N -2.60 1.03 -3.33 2.54 2.08 -1.05 -4.43 119.36 113.59 3doz n ILE 20 Ca 0.05 -0.40 -0.36 0.00 0.56 0.00 0.00 62.75 62.60 3doz n ILE 20 Cb 0.47 -1.13 -0.06 0.00 -0.75 0.00 0.00 39.64 38.18 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 -6.03 4.39 0.28 1.39 1.43 -0.55 -4.86 118.68 114.73 3doz s LEU 21 Ca -0.24 1.14 0.15 0.00 -1.03 0.00 0.00 54.13 54.15 3doz s LEU 21 Cb 0.06 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 43.17 3doz s LEU 21 CO 0.42 0.15 1.43 1.55 0.23 0.00 0.00 176.35 180.13 3doz h PRO 22 N 3.82 0.00 -6.51 1.29 0.13 -1.88 -3.44 132.00 125.41 3doz h PRO 22 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 3doz h PRO 22 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 3doz h PRO 22 CO 0.65 0.50 0.23 0.72 -0.23 0.00 0.00 178.00 179.87 3doz n HIS 23 N -3.22 1.49 -4.32 1.56 8.25 -1.26 -5.01 115.22 112.71 3doz n HIS 23 Ca 0.02 0.66 -0.18 0.00 -0.26 0.00 0.00 57.72 57.96 3doz n HIS 23 Cb 0.74 -2.29 -0.09 0.00 1.12 0.00 0.00 29.99 29.47 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 -1.45 1.57 0.31 -0.41 1.81 -1.26 -4.69 118.95 114.84 3doz s ARG 24 Ca 0.60 -1.89 -0.29 0.00 -1.72 0.00 0.00 55.73 52.42 3doz s ARG 24 Cb -0.69 -0.01 -0.12 0.00 -0.45 0.00 0.00 34.95 33.68 3doz s ARG 24 CO 0.59 -0.47 1.41 0.98 -0.68 0.00 0.00 175.30 177.13 3doz n TYR 25 N -0.56 2.47 -1.99 -0.53 4.19 -1.26 0.40 117.16 119.88 3doz n TYR 25 Ca 0.02 0.45 -0.37 0.00 3.31 0.00 0.00 57.90 61.31 3doz n TYR 25 Cb 0.65 -2.48 0.03 0.00 0.49 0.00 0.00 39.34 38.03 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 1.21 2.90 0.00 2.98 -0.04 -1.26 -4.92 135.00 135.88 3doz n PRO 26 Ca 0.07 -3.72 0.00 0.00 -0.04 0.00 0.00 63.50 59.80 3doz n PRO 26 Cb 0.35 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3doz n PRO 26 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3doz n MET 27 N -0.56 1.62 -3.22 0.54 1.56 0.16 -4.94 117.12 112.28 3doz n MET 27 Ca 0.51 -1.04 -0.44 0.00 -0.27 0.00 0.00 57.70 56.47 3doz n MET 27 Cb 0.37 -0.79 -0.07 0.00 2.15 0.00 0.00 33.22 34.88 3doz n MET 27 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 3doz s LEU 28 N -0.55 5.08 -0.45 -0.89 2.96 -1.09 -4.69 118.68 119.07 3doz s LEU 28 Ca 0.00 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 52.99 3doz s LEU 28 Cb 0.00 -2.39 0.47 0.00 0.50 0.00 0.00 46.19 44.77 3doz s LEU 28 CO 0.00 -0.80 1.59 0.18 -1.32 0.00 0.00 176.35 176.00 3doz n LEU 29 N 5.90 5.98 -3.59 -0.68 4.77 -1.26 -4.87 117.00 123.25 3doz n LEU 29 Ca -0.08 -4.39 -0.25 0.00 -0.03 0.00 0.00 56.01 51.26 3doz n LEU 29 Cb 0.45 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 3doz n LEU 29 CO 0.52 1.70 -0.31 -0.69 -1.33 0.00 0.00 177.39 177.28 3doz s VAL 30 N -4.45 -0.14 -0.00 4.08 1.01 -1.26 -4.58 120.40 115.06 3doz s VAL 30 Ca 0.56 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3doz s VAL 30 Cb 0.45 -0.60 -0.26 0.00 0.00 0.00 0.00 36.38 35.98 3doz s VAL 30 CO 0.02 -0.27 0.82 0.44 0.00 0.00 0.00 175.10 176.11 3doz h ASP 31 N 8.40 0.25 -5.04 3.32 3.32 -1.46 -3.47 116.42 121.74 3doz h ASP 31 Ca -0.15 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 3doz h ASP 31 Cb 1.15 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 3doz h ASP 31 CO 0.29 1.32 0.02 -0.60 -1.72 0.00 0.00 179.24 178.55 3doz s ARG 32 N -2.62 1.07 -0.25 3.56 3.52 -0.81 -3.06 118.95 120.37 3doz s ARG 32 Ca -0.08 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 3doz s ARG 32 Cb 0.07 0.49 0.06 0.00 -1.56 0.00 0.00 34.95 34.01 3doz s ARG 32 CO 0.83 -0.41 -0.09 0.42 -0.81 0.00 0.00 175.30 175.24 3doz s ILE 33 N -3.08 1.91 -0.24 4.11 1.01 -0.28 -0.54 121.20 124.09 3doz s ILE 33 Ca -0.02 -1.45 0.27 0.00 0.00 0.00 0.00 60.65 59.45 3doz s ILE 33 Cb 0.00 -2.07 0.36 0.00 0.01 0.00 0.00 42.46 40.75 3doz s ILE 33 CO -0.07 -0.04 1.74 0.71 0.00 0.00 0.00 174.94 177.28 3doz h THR 34 N 6.71 0.01 0.00 2.92 1.35 -1.53 -2.29 112.91 120.08 3doz h THR 34 Ca -0.19 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3doz h THR 34 Cb 1.06 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3doz h THR 34 CO 0.44 0.01 0.00 -1.84 -0.25 0.00 0.00 175.52 173.88 3doz n GLU 35 N -3.10 0.00 -3.75 4.72 0.28 -1.02 -4.60 120.64 113.18 3doz n GLU 35 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 3doz n GLU 35 Cb 0.45 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.20 3doz n GLU 35 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3doz s LEU 36 N 0.00 0.61 -0.30 -1.84 0.05 -1.25 -0.73 118.68 115.23 3doz s LEU 36 Ca 0.00 0.56 -0.03 0.00 0.05 0.00 0.00 54.13 54.71 3doz s LEU 36 Cb 0.00 0.86 0.04 0.00 -2.05 0.00 0.00 46.19 45.04 3doz s LEU 36 CO 0.00 -0.14 0.02 -1.10 -0.55 0.00 0.00 176.35 174.58 3doz s GLN 37 N 0.80 2.63 0.12 1.48 -0.21 0.50 -4.79 119.66 120.20 3doz s GLN 37 Ca -0.05 -1.14 -0.34 0.00 0.02 0.00 0.00 55.36 53.84 3doz s GLN 37 Cb -0.07 -3.21 -0.17 0.00 1.00 0.00 0.00 33.01 30.56 3doz s GLN 37 CO -0.05 -0.56 1.03 0.00 -2.12 0.00 0.00 175.29 173.59 3doz n ALA 38 N 4.70 -1.99 -0.58 6.09 0.00 -1.26 -0.28 120.51 127.18 3doz n ALA 38 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3doz n ALA 38 Cb 0.45 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 1.90 -0.55 0.00 0.00 3.02 -1.26 -4.71 115.26 113.66 3doz n ASN 39 Ca 0.17 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3doz n ASN 39 Cb 0.20 -2.40 -0.00 0.00 -0.61 0.00 0.00 39.78 36.97 3doz n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3doz n GLN 40 N -1.74 0.01 -3.83 3.52 1.13 0.61 -4.62 117.38 112.46 3doz n GLN 40 Ca 0.00 0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 3doz n GLN 40 Cb 0.04 -0.21 -0.02 0.00 0.11 0.00 0.00 30.24 30.16 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 -1.11 1.64 -0.07 -1.09 -2.85 -0.70 -0.70 119.74 114.87 3doz s LYS 41 Ca -0.01 -0.91 -0.09 0.00 -1.00 0.00 0.00 55.97 53.97 3doz s LYS 41 Cb 0.00 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3doz s LYS 41 CO 0.01 -0.75 0.23 -1.50 0.10 0.00 0.00 175.35 173.43 3doz s ILE 42 N -3.77 0.02 -0.11 3.79 2.07 0.13 -0.37 121.20 122.96 3doz s ILE 42 Ca 0.11 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.20 3doz s ILE 42 Cb -0.05 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.18 3doz s ILE 42 CO 0.06 -0.09 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.19 3doz s VAL 43 N -0.28 1.26 0.36 4.00 1.01 0.09 -1.59 120.40 125.26 3doz s VAL 43 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3doz s VAL 43 Cb -0.03 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3doz s VAL 43 CO 0.01 0.40 0.49 0.00 0.00 0.00 0.00 175.10 176.00 3doz s ALA 44 N 1.25 0.87 0.19 5.51 0.00 -0.77 -1.49 121.76 127.31 3doz s ALA 44 Ca -0.03 -1.58 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 3doz s ALA 44 Cb -0.14 1.15 0.06 0.00 0.00 0.00 0.00 23.12 24.19 3doz s ALA 44 CO -0.04 -0.79 0.61 1.52 0.00 0.00 0.00 175.76 177.05 3doz s TYR 45 N -2.88 -0.43 -0.05 0.00 -0.85 0.30 0.98 117.35 114.42 3doz s TYR 45 Ca 0.31 0.15 0.02 0.00 -0.52 0.00 0.00 57.07 57.03 3doz s TYR 45 Cb -0.01 0.57 0.01 0.00 0.38 0.00 0.00 41.96 42.91 3doz s TYR 45 CO 0.22 -0.93 -0.10 0.21 -1.52 0.00 0.00 175.55 173.43 3doz s LYS 46 N -3.79 1.32 0.43 -3.49 2.20 -0.07 -1.12 119.74 115.22 3doz s LYS 46 Ca 0.04 -0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 55.10 3doz s LYS 46 Cb -0.02 -1.16 -0.11 0.00 -1.51 0.00 0.00 37.83 35.04 3doz s LYS 46 CO -0.08 0.05 0.96 -0.80 -0.36 0.00 0.00 175.35 175.11 3doz s ASN 47 N 0.54 6.88 -0.29 1.43 0.01 -1.26 -1.66 114.94 120.59 3doz s ASN 47 Ca -0.10 1.72 0.01 0.00 -0.71 0.00 0.00 52.86 53.77 3doz s ASN 47 Cb -0.13 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.05 3doz s ASN 47 CO 0.02 -0.40 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.55 3doz s ILE 48 N -2.15 2.61 0.26 0.60 -1.09 -0.48 -4.91 121.20 116.03 3doz s ILE 48 Ca 0.62 -1.61 0.10 0.00 -2.23 0.00 0.00 60.65 57.53 3doz s ILE 48 Cb -0.10 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 3doz s ILE 48 CO 0.14 -0.15 -0.04 0.28 -1.23 0.00 0.00 174.94 173.94 3doz s THR 49 N 1.15 3.31 0.07 2.92 -1.32 -1.26 0.15 115.64 120.67 3doz s THR 49 Ca -0.05 -1.94 0.22 0.00 -1.21 0.00 0.00 61.69 58.72 3doz s THR 49 Cb -0.20 -2.75 0.20 0.00 -1.51 0.00 0.00 72.50 68.24 3doz s THR 49 CO -0.03 -0.35 1.75 0.15 -2.21 0.00 0.00 174.62 173.93 3doz h PHE 50 N 2.05 0.00 0.00 9.09 3.57 -1.95 -3.28 116.94 126.42 3doz h PHE 50 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3doz h PHE 50 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3doz h PHE 50 CO 0.69 0.27 0.00 -1.71 -2.23 0.00 0.00 178.31 175.34 3doz n ASN 51 N -3.37 2.56 -4.65 0.41 5.15 -1.26 -4.76 115.26 109.34 3doz n ASN 51 Ca 0.01 -1.57 -0.32 0.00 -0.60 0.00 0.00 54.58 52.09 3doz n ASN 51 Cb 0.49 -0.47 -0.09 0.00 -0.53 0.00 0.00 39.78 39.18 3doz n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3doz s GLU 52 N 0.35 2.67 0.25 1.20 2.02 -1.24 -5.03 118.70 118.92 3doz s GLU 52 Ca 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.26 3doz s GLU 52 Cb 0.00 -2.59 0.28 0.00 0.10 0.00 0.00 34.13 31.92 3doz s GLU 52 CO 0.00 0.61 1.91 0.22 0.02 0.00 0.00 175.26 178.02 3doz h ASP 53 N 4.36 1.10 -0.93 -0.19 3.58 -1.94 -2.93 116.42 119.47 3doz h ASP 53 Ca -0.49 -0.06 0.26 0.00 0.42 0.00 0.00 57.03 57.17 3doz h ASP 53 Cb 1.17 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 3doz h ASP 53 CO 0.56 0.83 0.66 -0.37 -2.88 0.00 0.00 179.24 178.04 3doz h VAL 54 N 1.27 0.55 0.00 2.25 -1.51 -1.96 0.21 116.25 117.06 3doz h VAL 54 Ca 0.33 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3doz h VAL 54 Cb -0.08 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 29.59 3doz h VAL 54 CO -0.07 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 176.77 3doz n PHE 55 N -4.29 0.00 0.02 5.19 0.99 -1.11 -1.88 117.46 116.39 3doz n PHE 55 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.60 3doz n PHE 55 Cb 0.97 -0.41 0.18 0.00 -1.00 0.00 0.00 39.48 39.22 3doz n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3doz h ASN 56 N 0.00 0.48 0.00 4.37 2.35 -0.76 -3.32 115.58 118.70 3doz h ASN 56 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3doz h ASN 56 Cb 0.24 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3doz h ASN 56 CO 0.00 0.76 -0.01 0.61 -1.65 0.00 0.00 177.43 177.14 3doz n GLY 57 N -0.28 2.02 2.25 2.83 0.00 -0.98 -4.19 105.19 106.84 3doz n GLY 57 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.47 -0.61 -4.34 1.61 -0.00 -0.79 -4.51 115.22 106.11 3doz n HIS 58 Ca 0.01 -3.42 -0.17 0.00 -0.00 0.00 0.00 57.72 54.13 3doz n HIS 58 Cb 0.33 -0.16 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 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 -0.90 1.59 0.12 1.57 0.40 -0.52 -1.88 117.98 118.35 3doz s PHE 59 Ca 0.35 -0.89 -0.35 0.00 -0.60 0.00 0.00 56.93 55.44 3doz s PHE 59 Cb 0.15 -0.91 -0.15 0.00 0.51 0.00 0.00 43.02 42.62 3doz s PHE 59 CO -0.13 0.00 1.53 -2.30 0.70 0.00 0.00 175.22 175.02 3doz n PRO 60 N -0.42 1.85 -0.81 0.24 -0.02 -1.26 -1.22 135.00 133.35 3doz n PRO 60 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3doz n PRO 60 Cb 0.64 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.39 -1.61 -3.00 2.55 3.02 -1.26 -4.86 115.26 113.48 3doz n ASN 61 Ca 0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.59 3doz n ASN 61 Cb 0.26 -1.69 -0.03 0.00 -0.61 0.00 0.00 39.78 37.71 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 -1.56 0.49 -1.94 3.52 4.81 -0.36 -5.12 118.16 118.00 3doz n LYS 62 Ca 0.00 -2.48 -0.42 0.00 -0.87 0.00 0.00 58.31 54.54 3doz n LYS 62 Cb 0.10 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.62 3doz n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3doz s PRO 63 N 0.36 4.21 -0.17 1.64 0.04 -1.23 -1.44 135.00 138.40 3doz s PRO 63 Ca 0.32 2.33 -0.04 0.00 0.04 0.00 0.00 61.00 63.65 3doz s PRO 63 Cb 0.07 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.26 3doz s PRO 63 CO -0.13 -0.68 0.21 0.42 0.04 0.00 0.00 177.00 176.86 3doz s ILE 64 N 2.06 -0.32 0.11 0.56 1.01 -0.79 -4.60 121.20 119.24 3doz s ILE 64 Ca 0.72 0.04 -0.33 0.00 0.00 0.00 0.00 60.65 61.09 3doz s ILE 64 Cb -0.41 -0.56 -0.12 0.00 0.01 0.00 0.00 42.46 41.38 3doz s ILE 64 CO 0.32 -0.08 1.75 0.33 0.00 0.00 0.00 174.94 177.26 3doz n PHE 65 N 5.32 2.49 -1.67 3.97 7.35 -0.07 -4.60 117.46 130.25 3doz n PHE 65 Ca -0.05 0.02 -0.49 0.00 -0.76 0.00 0.00 57.45 56.17 3doz n PHE 65 Cb 0.50 -2.66 -0.05 0.00 0.35 0.00 0.00 39.48 37.62 3doz n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3doz n PRO 66 N 4.90 2.00 -0.23 -7.13 -0.02 -1.26 -4.59 135.00 128.67 3doz n PRO 66 Ca 0.18 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.42 3doz n PRO 66 Cb 0.33 -2.52 0.12 0.00 -0.02 0.00 0.00 33.50 31.41 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 7.71 0.69 2.00 -1.23 0.00 -1.99 0.12 103.07 110.37 3doz h GLY 67 Ca -0.47 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3doz h GLY 67 CO 0.92 -0.26 -0.02 -0.39 0.00 0.00 0.00 176.54 176.80 3doz h VAL 68 N 0.08 0.74 0.00 4.60 -1.51 -2.00 -0.57 116.25 117.59 3doz h VAL 68 Ca 0.36 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 3doz h VAL 68 Cb 0.61 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3doz h VAL 68 CO -0.63 0.02 0.00 -0.07 -1.23 0.00 0.00 177.57 175.65 3doz h LEU 69 N 0.00 0.00 -0.11 4.19 3.38 -1.13 -1.73 115.31 119.91 3doz h LEU 69 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3doz h LEU 69 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3doz h LEU 69 CO 0.00 0.00 -0.41 0.40 0.09 0.00 0.00 178.44 178.52 3doz h ILE 70 N 0.00 1.38 -0.67 1.22 2.04 -0.84 -1.35 117.51 119.28 3doz h ILE 70 Ca 0.00 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 3doz h ILE 70 Cb 0.81 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 3doz h ILE 70 CO 0.00 0.52 0.32 0.58 0.00 0.00 0.00 178.15 179.56 3doz h VAL 71 N 0.04 1.22 -0.48 1.67 2.07 -1.38 -0.28 116.25 119.11 3doz h VAL 71 Ca -0.02 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3doz h VAL 71 Cb 1.04 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3doz h VAL 71 CO 0.09 0.26 0.03 -0.08 0.02 0.00 0.00 177.57 177.89 3doz h GLU 72 N 0.96 0.83 -0.73 1.57 4.57 -1.21 0.19 114.58 120.75 3doz h GLU 72 Ca 0.23 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3doz h GLU 72 Cb 0.11 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3doz h GLU 72 CO -0.03 0.86 0.21 0.78 -1.18 0.00 0.00 179.01 179.65 3doz h GLY 73 N 0.69 1.24 0.95 1.92 0.00 -0.81 0.26 103.07 107.32 3doz h GLY 73 Ca 0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3doz h GLY 73 CO 0.02 0.70 0.18 -0.33 0.00 0.00 0.00 176.54 177.11 3doz h MET 74 N 1.10 0.59 -0.68 4.80 2.86 -0.75 0.88 114.93 123.73 3doz h MET 74 Ca 0.23 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3doz h MET 74 Cb 0.33 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3doz h MET 74 CO -0.00 0.52 0.38 0.00 1.06 0.00 0.00 176.91 178.87 3doz h ALA 75 N 1.03 0.87 -0.62 6.32 0.00 -0.13 -1.05 119.26 125.68 3doz h ALA 75 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3doz h ALA 75 Cb 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3doz h ALA 75 CO -0.02 0.38 0.36 1.96 0.00 0.00 0.00 179.25 181.93 3doz h GLN 76 N 0.93 0.67 -0.42 0.00 4.20 0.10 0.32 115.11 120.91 3doz h GLN 76 Ca 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3doz h GLN 76 Cb 0.03 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3doz h GLN 76 CO -0.04 0.44 0.20 0.77 -0.67 0.00 0.00 178.83 179.53 3doz h SER 77 N 0.69 0.55 -0.83 1.46 0.02 -0.16 -1.30 113.55 113.99 3doz h SER 77 Ca 0.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3doz h SER 77 Cb 0.10 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3doz h SER 77 CO -0.14 0.53 0.46 1.23 -1.14 0.00 0.00 176.83 177.77 3doz h GLY 78 N 0.53 1.23 1.10 -3.77 0.00 -0.74 -1.38 103.07 100.05 3doz h GLY 78 Ca 0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3doz h GLY 78 CO -0.02 0.53 0.48 -1.33 0.00 0.00 0.00 176.54 176.21 3doz h GLY 79 N 1.15 1.26 1.73 4.60 0.00 -0.52 0.30 103.07 111.59 3doz h GLY 79 Ca 0.29 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3doz h GLY 79 CO -0.05 0.53 -0.44 -2.75 0.00 0.00 0.00 176.54 173.83 3doz h PHE 80 N 1.19 0.35 0.21 5.60 3.04 -0.85 -2.02 116.94 124.46 3doz h PHE 80 Ca 0.30 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 3doz h PHE 80 Cb 0.00 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3doz h PHE 80 CO 0.01 0.69 -0.10 1.25 -2.02 0.00 0.00 178.31 178.14 3doz h LEU 81 N 0.24 -0.23 -0.21 0.59 5.85 -0.08 -1.45 115.31 120.02 3doz h LEU 81 Ca 0.02 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3doz h LEU 81 Cb 0.88 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3doz h LEU 81 CO 0.07 0.12 -0.04 0.00 -0.34 0.00 0.00 178.44 178.25 3doz h ALA 82 N 0.08 0.15 0.39 1.25 0.00 -0.43 -0.68 119.26 120.02 3doz h ALA 82 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3doz h ALA 82 Cb 0.45 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3doz h ALA 82 CO 0.05 -0.46 -0.31 0.35 0.00 0.00 0.00 179.25 178.87 3doz h PHE 83 N 0.02 -0.83 -0.17 0.00 3.57 -1.39 -2.33 116.94 115.80 3doz h PHE 83 Ca 0.10 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 3doz h PHE 83 Cb 0.14 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3doz h PHE 83 CO -0.21 -0.46 0.14 1.79 -2.23 0.00 0.00 178.31 177.34 3doz h THR 84 N -0.70 0.74 -0.15 4.41 1.35 -1.11 -1.43 112.91 116.02 3doz h THR 84 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 3doz h THR 84 Cb 0.61 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3doz h THR 84 CO -0.01 0.00 -0.03 0.28 -0.25 0.00 0.00 175.52 175.50 3doz h SER 85 N 0.00 0.29 -0.19 5.36 0.02 -0.61 0.29 113.55 118.71 3doz h SER 85 Ca 0.08 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3doz h SER 85 Cb 0.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3doz h SER 85 CO -0.00 0.58 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.20 3doz h LEU 86 N -0.01 0.32 -0.49 5.07 -0.00 -0.84 -3.39 115.31 115.97 3doz h LEU 86 Ca 0.04 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 3doz h LEU 86 Cb 0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3doz h LEU 86 CO 0.01 0.56 0.00 0.79 -0.00 0.00 0.00 178.44 179.80 3doz n TRP 87 N -4.71 0.00 -4.41 1.13 8.01 -0.63 -5.13 117.44 111.70 3doz n TRP 87 Ca -0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 3doz n TRP 87 Cb 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 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 0.15 -1.06 3.55 6.99 0.00 0.10 -4.37 105.19 110.56 3doz n GLY 88 Ca 0.00 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 3doz n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3doz s PHE 89 N 0.00 2.16 -0.33 1.61 5.36 -1.26 -4.43 117.98 121.10 3doz s PHE 89 Ca 0.00 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.93 3doz s PHE 89 Cb 0.00 -4.46 0.12 0.00 -0.34 0.00 0.00 43.02 38.34 3doz s PHE 89 CO 0.00 -2.03 0.16 0.34 -1.46 0.00 0.00 175.22 172.23 3doz s ASP 90 N 5.60 3.49 0.28 6.13 -1.08 -1.26 -5.02 116.67 124.81 3doz s ASP 90 Ca 0.50 -1.78 -0.03 0.00 -0.52 0.00 0.00 52.55 50.72 3doz s ASP 90 Cb -0.06 -0.55 0.39 0.00 -1.46 0.00 0.00 42.92 41.24 3doz s ASP 90 CO 0.06 -0.38 1.91 -0.65 0.52 0.00 0.00 175.17 176.63 3doz h PRO 91 N 7.74 1.04 -0.50 4.34 0.11 -1.90 -1.43 132.00 141.40 3doz h PRO 91 Ca -0.09 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3doz h PRO 91 Cb 0.99 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 3doz h PRO 91 CO 0.40 0.76 0.30 0.93 -0.21 0.00 0.00 178.00 180.18 3doz h GLU 92 N 1.05 0.68 -0.10 1.05 4.39 -1.95 -1.67 114.58 118.01 3doz h GLU 92 Ca 0.26 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 3doz h GLU 92 Cb 0.03 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3doz h GLU 92 CO -0.04 0.49 -0.66 0.82 -1.16 0.00 0.00 179.01 178.46 3doz h ILE 93 N 0.67 1.37 -0.93 3.13 2.04 -1.94 -3.15 117.51 118.70 3doz h ILE 93 Ca 0.18 -2.03 0.06 0.00 1.00 0.00 0.00 64.86 64.08 3doz h ILE 93 Cb -0.01 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3doz h ILE 93 CO -0.03 0.61 0.59 0.00 0.00 0.00 0.00 178.15 179.32 3doz h ALA 94 N 1.00 1.28 0.00 1.87 0.00 -0.84 0.42 119.26 123.00 3doz h ALA 94 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3doz h ALA 94 Cb 1.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3doz h ALA 94 CO 0.11 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.36 3doz n LYS 95 N -4.56 0.06 -0.10 0.00 4.01 -0.67 -2.27 118.16 114.63 3doz n LYS 95 Ca 0.14 0.55 0.05 0.00 -0.51 0.00 0.00 58.31 58.54 3doz n LYS 95 Cb 0.17 -1.70 0.11 0.00 -0.51 0.00 0.00 35.03 33.09 3doz n LYS 95 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3doz n THR 96 N -1.84 0.62 -4.34 -0.18 -2.24 0.13 -4.90 114.28 101.53 3doz n THR 96 Ca -0.01 -0.81 -0.20 0.00 -2.27 0.00 0.00 64.05 60.76 3doz n THR 96 Cb 0.02 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.95 1.30 0.04 -0.78 -0.14 -0.96 -0.21 119.74 118.03 3doz s LYS 97 Ca 0.18 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.32 3doz s LYS 97 Cb 0.10 -1.24 -0.02 0.00 -1.68 0.00 0.00 37.83 34.99 3doz s LYS 97 CO 0.14 0.23 -0.07 0.96 -0.76 0.00 0.00 175.35 175.85 3doz s ILE 98 N -2.47 0.44 -0.58 2.17 -4.36 -0.30 -4.61 121.20 111.49 3doz s ILE 98 Ca 0.19 -1.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.57 3doz s ILE 98 Cb -0.04 -0.54 0.14 0.00 1.25 0.00 0.00 42.46 43.28 3doz s ILE 98 CO 0.07 -0.41 0.34 -0.69 0.24 0.00 0.00 174.94 174.48 3doz s VAL 99 N -1.41 2.68 0.20 8.37 1.01 -1.26 -0.90 120.40 129.09 3doz s VAL 99 Ca -0.11 -3.64 -0.30 0.00 0.00 0.00 0.00 61.98 57.93 3doz s VAL 99 Cb -0.10 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 3doz s VAL 99 CO 0.00 -0.87 1.42 -0.31 0.00 0.00 0.00 175.10 175.34 3doz s TYR 100 N -0.68 3.12 -0.39 5.22 4.12 -0.80 -4.75 117.35 123.18 3doz s TYR 100 Ca 0.20 1.00 -0.14 0.00 0.02 0.00 0.00 57.07 58.14 3doz s TYR 100 Cb -0.19 -3.76 0.01 0.00 -1.52 0.00 0.00 41.96 36.50 3doz s TYR 100 CO -0.06 -2.56 0.29 -0.06 0.02 0.00 0.00 175.55 173.19 3doz s PHE 101 N 0.37 3.24 -0.08 2.71 0.08 -1.26 -0.28 117.98 122.75 3doz s PHE 101 Ca 0.61 -0.47 -0.25 0.00 0.12 0.00 0.00 56.93 56.94 3doz s PHE 101 Cb -0.40 -2.57 -0.27 0.00 -0.57 0.00 0.00 43.02 39.22 3doz s PHE 101 CO 0.38 -0.53 0.90 0.52 -0.10 0.00 0.00 175.22 176.39 3doz h MET 102 N 8.59 0.15 -4.21 0.44 2.86 -1.10 -3.48 114.93 118.18 3doz h MET 102 Ca -0.28 -0.22 -0.14 0.00 -2.06 0.00 0.00 59.70 57.00 3doz h MET 102 Cb 1.13 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.72 3doz h MET 102 CO 0.70 1.05 -0.58 0.95 1.06 0.00 0.00 176.91 180.10 3doz s THR 103 N -2.59 0.14 -0.05 2.22 -4.23 -1.03 -5.01 115.64 105.09 3doz s THR 103 Ca -0.16 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 3doz s THR 103 Cb -0.01 -1.76 0.03 0.00 1.34 0.00 0.00 72.50 72.11 3doz s THR 103 CO 0.75 -0.63 0.12 -0.63 -0.54 0.00 0.00 174.62 173.68 3doz s ILE 104 N -3.97 -0.05 0.12 2.99 1.01 -1.26 -2.03 121.20 118.01 3doz s ILE 104 Ca 0.15 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 3doz s ILE 104 Cb 0.07 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 3doz s ILE 104 CO -0.04 0.07 0.08 -1.81 0.00 0.00 0.00 174.94 173.25 3doz s ASP 105 N 1.03 0.29 -1.02 3.58 1.11 -0.63 -4.91 116.67 116.12 3doz s ASP 105 Ca -0.08 -1.09 -0.03 0.00 0.18 0.00 0.00 52.55 51.53 3doz s ASP 105 Cb -0.11 0.30 0.02 0.00 1.07 0.00 0.00 42.92 44.21 3doz s ASP 105 CO -0.05 -0.73 0.15 0.29 1.18 0.00 0.00 175.17 176.01 3doz n LYS 106 N -0.08 -2.69 -2.74 8.23 5.02 -1.26 -1.37 118.16 123.28 3doz n LYS 106 Ca -0.08 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.30 3doz n LYS 106 Cb 0.63 -5.13 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 3doz n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3doz s VAL 107 N -2.65 4.65 -0.01 -0.18 0.11 -1.26 -4.19 120.40 116.87 3doz s VAL 107 Ca 0.12 2.04 0.02 0.00 -2.93 0.00 0.00 61.98 61.23 3doz s VAL 107 Cb -0.06 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.48 3doz s VAL 107 CO 0.15 0.26 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.38 3doz s LYS 108 N 0.37 0.56 -0.23 1.54 2.20 -0.73 -4.96 119.74 118.51 3doz s LYS 108 Ca 0.48 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 3doz s LYS 108 Cb -0.22 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.52 3doz s LYS 108 CO 0.29 0.07 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.28 3doz s PHE 109 N 0.16 3.00 -0.24 4.03 0.40 -1.26 -1.15 117.98 122.92 3doz s PHE 109 Ca -0.02 -0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 3doz s PHE 109 Cb -0.06 -2.14 -0.12 0.00 0.51 0.00 0.00 43.02 41.21 3doz s PHE 109 CO -0.00 -0.47 -0.27 0.54 0.70 0.00 0.00 175.22 175.72 3doz n ARG 110 N 4.78 0.54 -4.49 0.44 1.74 -0.60 -5.00 116.66 114.06 3doz n ARG 110 Ca -0.18 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 56.85 3doz n ARG 110 Cb 0.51 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.45 1.10 0.51 0.55 1.01 -1.12 -5.06 121.20 115.74 3doz s ILE 111 Ca -0.33 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3doz s ILE 111 Cb 0.11 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.50 3doz s ILE 111 CO 0.47 0.35 1.36 -2.16 0.00 0.00 0.00 174.94 174.96 3doz s PRO 112 N 0.79 3.38 -0.17 2.79 0.04 -1.26 -4.79 135.00 135.77 3doz s PRO 112 Ca -0.12 2.24 -0.07 0.00 0.04 0.00 0.00 61.00 63.09 3doz s PRO 112 Cb -0.15 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3doz s PRO 112 CO 0.02 -1.01 0.07 0.08 0.04 0.00 0.00 177.00 176.21 3doz s VAL 113 N -1.29 4.91 0.19 -0.36 1.01 -1.26 -5.04 120.40 118.56 3doz s VAL 113 Ca 0.67 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3doz s VAL 113 Cb -0.40 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3doz s VAL 113 CO 0.49 0.49 -0.02 0.42 0.00 0.00 0.00 175.10 176.49 3doz s THR 114 N 0.07 0.90 -0.07 3.92 -4.23 -1.26 -0.89 115.64 114.08 3doz s THR 114 Ca 0.06 -2.02 -0.38 0.00 -1.18 0.00 0.00 61.69 58.17 3doz s THR 114 Cb -0.12 -2.17 -0.16 0.00 1.34 0.00 0.00 72.50 71.39 3doz s THR 114 CO 0.00 -0.45 1.53 -2.65 -0.54 0.00 0.00 174.62 172.51 3doz n PRO 115 N -0.31 1.17 0.00 3.99 -0.02 -1.26 -0.91 135.00 137.66 3doz n PRO 115 Ca -0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3doz n PRO 115 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.28 0.71 3.84 -1.23 0.00 0.40 -4.91 105.19 107.28 3doz n GLY 116 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.88 6.84 -0.62 1.61 -0.00 -0.09 -4.92 116.67 117.62 3doz s ASP 117 Ca 0.00 1.08 -0.13 0.00 -0.00 0.00 0.00 52.55 53.49 3doz s ASP 117 Cb 0.00 -2.29 0.16 0.00 -0.00 0.00 0.00 42.92 40.79 3doz s ASP 117 CO 0.00 0.14 0.55 -0.60 -0.00 0.00 0.00 175.17 175.26 3doz s ARG 118 N -1.79 3.06 -0.45 8.23 3.52 -1.26 -1.39 118.95 128.88 3doz s ARG 118 Ca 0.35 -1.99 -0.29 0.00 -0.13 0.00 0.00 55.73 53.67 3doz s ARG 118 Cb -0.16 -4.24 0.02 0.00 -1.56 0.00 0.00 34.95 29.01 3doz s ARG 118 CO 0.19 -1.29 1.25 -1.17 -0.81 0.00 0.00 175.30 173.47 3doz s LEU 119 N 1.04 3.62 -0.21 -0.88 2.96 -0.66 -4.40 118.68 120.14 3doz s LEU 119 Ca 0.09 0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 54.52 3doz s LEU 119 Cb -0.23 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3doz s LEU 119 CO -0.02 -1.32 0.14 -0.70 -1.32 0.00 0.00 176.35 173.13 3doz s GLU 120 N 4.63 4.15 -0.16 1.98 2.12 0.45 -0.89 118.70 130.99 3doz s GLU 120 Ca 0.53 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.49 3doz s GLU 120 Cb -0.10 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3doz s GLU 120 CO 0.32 0.23 0.27 0.71 -0.54 0.00 0.00 175.26 176.25 3doz s TYR 121 N 0.57 3.46 -0.33 5.30 4.12 0.27 -0.02 117.35 130.71 3doz s TYR 121 Ca 0.08 0.56 0.02 0.00 0.02 0.00 0.00 57.07 57.75 3doz s TYR 121 Cb -0.12 -2.32 0.10 0.00 -1.52 0.00 0.00 41.96 38.11 3doz s TYR 121 CO -0.00 0.25 0.07 -1.01 0.02 0.00 0.00 175.55 174.88 3doz s HIS 122 N 0.43 3.01 -0.03 2.71 3.76 0.42 -1.84 115.29 123.76 3doz s HIS 122 Ca 0.15 -2.55 0.07 0.00 -0.15 0.00 0.00 55.06 52.59 3doz s HIS 122 Cb -0.13 -2.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.06 3doz s HIS 122 CO 0.03 -0.92 -0.25 -0.51 -0.85 0.00 0.00 174.74 172.24 3doz s LEU 123 N 1.15 2.05 0.08 0.89 2.01 -0.62 -1.22 118.68 123.02 3doz s LEU 123 Ca 0.11 -0.47 0.06 0.00 0.01 0.00 0.00 54.13 53.85 3doz s LEU 123 Cb -0.18 -1.30 -0.03 0.00 0.01 0.00 0.00 46.19 44.69 3doz s LEU 123 CO -0.14 0.28 -0.17 -1.83 1.01 0.00 0.00 176.35 175.49 3doz s GLU 124 N -0.41 0.99 -0.16 1.70 -1.05 -0.00 0.17 118.70 119.94 3doz s GLU 124 Ca 0.04 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.55 3doz s GLU 124 Cb -0.11 -1.11 -0.02 0.00 -0.44 0.00 0.00 34.13 32.45 3doz s GLU 124 CO 0.01 0.26 1.28 0.08 0.95 0.00 0.00 175.26 177.83 3doz s VAL 125 N -1.16 4.25 -0.13 1.83 1.01 0.12 -1.65 120.40 124.68 3doz s VAL 125 Ca 0.02 1.52 0.14 0.00 0.00 0.00 0.00 61.98 63.65 3doz s VAL 125 Cb -0.10 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 3doz s VAL 125 CO 0.03 -0.13 0.32 0.18 0.00 0.00 0.00 175.10 175.50 3doz n LEU 126 N 6.63 0.68 -3.58 3.92 4.77 0.34 -4.96 117.00 124.80 3doz n LEU 126 Ca 0.14 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 3doz n LEU 126 Cb 0.45 0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 3doz n LEU 126 CO 0.56 0.50 0.44 -0.75 -1.33 0.00 0.00 177.39 176.80 3doz s LYS 127 N -2.54 0.49 -0.41 3.23 2.47 -0.89 -4.98 119.74 117.12 3doz s LYS 127 Ca -0.10 1.09 0.04 0.00 -1.56 0.00 0.00 55.97 55.44 3doz s LYS 127 Cb 0.07 0.50 0.11 0.00 -1.46 0.00 0.00 37.83 37.05 3doz s LYS 127 CO 0.81 -0.14 0.14 -1.58 0.16 0.00 0.00 175.35 174.73 3doz s HIS 128 N 2.31 3.35 -0.46 4.03 5.65 -1.26 -0.49 115.29 128.42 3doz s HIS 128 Ca -0.06 -2.97 0.03 0.00 0.25 0.00 0.00 55.06 52.31 3doz s HIS 128 Cb -0.08 -2.77 0.12 0.00 -1.18 0.00 0.00 32.58 28.67 3doz s HIS 128 CO -0.18 -0.86 0.20 0.15 -0.65 0.00 0.00 174.74 173.39 3doz s LYS 129 N 0.49 1.86 7.79 2.88 3.01 -0.50 -5.01 119.74 130.26 3doz s LYS 129 Ca 0.13 -2.28 0.00 0.00 -1.01 0.00 0.00 55.97 52.81 3doz s LYS 129 Cb -0.22 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.26 3doz s LYS 129 CO -0.06 -1.05 0.00 0.41 0.51 0.00 0.00 175.35 175.16 3doz n GLY 130 N 3.68 2.17 0.52 -3.33 0.00 -1.26 -2.65 105.19 104.33 3doz n GLY 130 Ca 0.04 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 12.14 1.55 -3.58 1.61 2.81 -1.26 -4.84 117.12 125.56 3doz n MET 131 Ca 0.00 -1.05 -0.39 0.00 -1.81 0.00 0.00 57.70 54.45 3doz n MET 131 Cb 0.00 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 30.92 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 -2.17 5.13 -0.04 2.02 -1.09 -1.08 0.11 121.20 124.07 3doz s ILE 132 Ca 0.31 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 3doz s ILE 132 Cb 0.20 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3doz s ILE 132 CO 0.40 0.10 -0.05 0.26 -1.23 0.00 0.00 174.94 174.42 3doz s TRP 133 N 1.71 2.97 -0.14 3.97 0.52 -0.83 -1.41 118.94 125.73 3doz s TRP 133 Ca 0.06 0.04 -0.00 0.00 0.02 0.00 0.00 56.10 56.21 3doz s TRP 133 Cb -0.17 -1.69 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3doz s TRP 133 CO 0.10 0.38 -0.06 -1.14 0.02 0.00 0.00 176.95 176.24 3doz s GLN 134 N -1.09 1.47 0.32 4.98 0.74 0.35 -1.12 119.66 125.33 3doz s GLN 134 Ca 0.15 -0.39 0.10 0.00 0.05 0.00 0.00 55.36 55.27 3doz s GLN 134 Cb -0.11 -1.81 -0.06 0.00 1.10 0.00 0.00 33.01 32.14 3doz s GLN 134 CO 0.04 -0.35 -0.07 0.14 -0.55 0.00 0.00 175.29 174.50 3doz s VAL 135 N 1.67 2.52 0.18 1.34 -7.23 0.13 0.13 120.40 119.14 3doz s VAL 135 Ca 0.03 -2.15 -0.23 0.00 -1.81 0.00 0.00 61.98 57.82 3doz s VAL 135 Cb -0.14 -2.64 0.06 0.00 0.56 0.00 0.00 36.38 34.22 3doz s VAL 135 CO -0.08 -0.26 0.62 -0.83 -0.31 0.00 0.00 175.10 174.24 3doz s GLY 136 N -3.63 -0.53 0.00 2.32 0.00 -0.66 0.66 107.32 105.49 3doz s GLY 136 Ca 0.33 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3doz s GLY 136 CO 0.17 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.00 3doz n GLY 137 N -0.39 -0.55 3.17 0.20 0.00 -0.52 -0.82 105.19 106.28 3doz n GLY 137 Ca -0.15 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.62 0.36 -0.11 2.61 -4.23 -0.36 -1.91 115.64 108.39 3doz s THR 138 Ca 0.00 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3doz s THR 138 Cb 0.00 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 3doz s THR 138 CO 0.00 -0.59 -0.11 0.00 -0.54 0.00 0.00 174.62 173.38 3doz s ALA 139 N -3.86 2.74 0.14 3.99 0.00 -0.11 -0.43 121.76 124.22 3doz s ALA 139 Ca 0.20 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.35 3doz s ALA 139 Cb 0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3doz s ALA 139 CO 0.00 0.35 -0.18 -0.65 0.00 0.00 0.00 175.76 175.28 3doz s GLN 140 N -0.01 1.18 -0.09 0.00 -0.21 0.97 -0.65 119.66 120.84 3doz s GLN 140 Ca -0.02 -1.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.03 3doz s GLN 140 Cb -0.14 -1.26 0.04 0.00 1.00 0.00 0.00 33.01 32.65 3doz s GLN 140 CO 0.04 0.27 0.07 0.08 -2.12 0.00 0.00 175.29 173.62 3doz s VAL 141 N -1.78 -0.05 -1.26 1.09 1.01 -0.30 -0.41 120.40 118.70 3doz s VAL 141 Ca 0.11 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 3doz s VAL 141 Cb -0.07 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.97 3doz s VAL 141 CO 0.05 0.01 1.08 -0.67 0.00 0.00 0.00 175.10 175.57 3doz n ASP 142 N 5.28 -4.34 0.00 3.32 4.64 -1.26 -2.44 116.55 121.74 3doz n ASP 142 Ca -0.05 -0.56 0.00 0.00 -1.38 0.00 0.00 54.79 52.80 3doz n ASP 142 Cb 0.50 -4.97 0.00 0.00 -1.04 0.00 0.00 41.12 35.60 3doz n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3doz n GLY 143 N -1.59 2.85 3.88 0.27 0.00 -1.26 -5.00 105.19 104.34 3doz n GLY 143 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 3.73 -0.30 1.61 1.02 -1.02 -5.05 119.74 119.68 3doz s LYS 144 Ca 0.00 0.33 -0.23 0.00 0.02 0.00 0.00 55.97 56.08 3doz s LYS 144 Cb 0.00 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3doz s LYS 144 CO 0.00 0.03 0.78 0.08 -0.92 0.00 0.00 175.35 175.32 3doz s VAL 145 N -2.30 4.80 -0.38 3.17 1.01 -1.26 -1.15 120.40 124.29 3doz s VAL 145 Ca 0.49 1.19 0.21 0.00 0.00 0.00 0.00 61.98 63.87 3doz s VAL 145 Cb -0.10 -4.14 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 3doz s VAL 145 CO 0.31 -0.23 0.62 1.33 0.00 0.00 0.00 175.10 177.13 3doz n VAL 146 N 5.51 0.00 -3.48 2.92 0.24 0.18 -4.54 118.33 119.15 3doz n VAL 146 Ca 0.04 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 3doz n VAL 146 Cb 0.48 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 3doz n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3doz s ALA 147 N -3.27 -1.75 0.10 2.33 0.00 -1.07 -1.55 121.76 116.54 3doz s ALA 147 Ca -0.02 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.92 3doz s ALA 147 Cb 0.14 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 3doz s ALA 147 CO 0.87 -0.62 -0.10 -1.21 0.00 0.00 0.00 175.76 174.70 3doz s GLU 148 N -2.80 0.84 -0.14 0.00 2.02 -0.30 -0.94 118.70 117.38 3doz s GLU 148 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 3doz s GLU 148 Cb -0.01 -0.52 0.13 0.00 0.10 0.00 0.00 34.13 33.83 3doz s GLU 148 CO -0.06 0.08 1.03 0.00 0.02 0.00 0.00 175.26 176.32 3doz s ALA 149 N -2.44 -1.94 -0.00 5.21 0.00 -0.80 -1.77 121.76 120.02 3doz s ALA 149 Ca 0.05 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.60 3doz s ALA 149 Cb -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3doz s ALA 149 CO -0.00 -0.40 -0.23 -2.00 0.00 0.00 0.00 175.76 173.13 3doz s GLU 150 N -1.58 1.81 -0.01 0.00 2.12 -0.47 -1.44 118.70 119.12 3doz s GLU 150 Ca 0.01 -0.88 -0.08 0.00 0.36 0.00 0.00 54.97 54.39 3doz s GLU 150 Cb -0.01 -1.80 0.01 0.00 0.26 0.00 0.00 34.13 32.59 3doz s GLU 150 CO -0.02 0.49 0.17 -0.51 -0.54 0.00 0.00 175.26 174.85 3doz s LEU 151 N -0.71 1.41 -0.06 2.70 1.43 0.21 -1.60 118.68 122.06 3doz s LEU 151 Ca 0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3doz s LEU 151 Cb -0.09 0.74 0.02 0.00 0.03 0.00 0.00 46.19 46.90 3doz s LEU 151 CO -0.00 -0.32 -0.04 -0.75 0.23 0.00 0.00 176.35 175.46 3doz s LYS 152 N -1.08 0.93 0.45 1.70 2.20 -0.86 0.22 119.74 123.30 3doz s LYS 152 Ca -0.12 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 3doz s LYS 152 Cb -0.06 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.22 3doz s LYS 152 CO 0.02 -0.15 0.04 0.00 -0.36 0.00 0.00 175.35 174.90 3doz s ALA 153 N 1.24 3.45 -0.02 3.13 0.00 -0.27 -0.47 121.76 128.81 3doz s ALA 153 Ca -0.06 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3doz s ALA 153 Cb -0.14 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3doz s ALA 153 CO -0.02 -0.15 -0.01 1.41 0.00 0.00 0.00 175.76 176.99 3doz s MET 154 N -3.81 0.33 -0.05 0.00 1.75 0.62 -1.96 119.30 116.17 3doz s MET 154 Ca 0.19 0.00 -0.24 0.00 -1.25 0.00 0.00 55.69 54.40 3doz s MET 154 Cb 0.04 -0.44 -0.04 0.00 2.84 0.00 0.00 34.83 37.23 3doz s MET 154 CO 0.10 -0.07 0.71 0.42 -0.65 0.00 0.00 175.02 175.53 3doz s ILE 155 N 0.67 5.01 0.16 10.11 -1.09 0.12 -1.91 121.20 134.27 3doz s ILE 155 Ca -0.07 1.46 -0.02 0.00 -2.23 0.00 0.00 60.65 59.80 3doz s ILE 155 Cb -0.10 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3doz s ILE 155 CO -0.01 0.27 0.11 0.00 -1.23 0.00 0.00 174.94 174.08 3doz s ALA 156 N 0.69 0.92 0.09 9.38 0.00 -0.08 -4.85 121.76 127.90 3doz s ALA 156 Ca 0.38 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 3doz s ALA 156 Cb -0.18 1.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 3doz s ALA 156 CO 0.19 -0.55 0.79 -2.00 0.00 0.00 0.00 175.76 174.18 3doz s GLU 157 N -4.09 4.54 0.98 0.00 2.56 -1.26 -1.15 118.70 120.27 3doz s GLU 157 Ca 0.30 1.13 -0.11 0.00 0.00 0.00 0.00 54.97 56.28 3doz s GLU 157 Cb 0.07 -3.33 0.18 0.00 2.00 0.00 0.00 34.13 33.04 3doz s GLU 157 CO 0.06 0.36 1.09 0.50 -0.56 0.00 0.00 175.26 176.71 3doz s ARG 158 N -0.38 0.57 0.00 4.30 3.52 0.70 -4.69 118.95 122.97 3doz s ARG 158 Ca 0.38 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 3doz s ARG 158 Cb -0.22 -1.71 0.00 0.00 -1.56 0.00 0.00 34.95 31.47 3doz s ARG 158 CO 0.25 -2.79 0.00 -0.85 -0.81 0.00 0.00 175.30 171.09