#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doz s GLN 11 N 0.00 3.88 -0.21 -1.46 -0.21 -1.26 -4.51 119.66 115.89 3doz s GLN 11 Ca 0.00 -0.12 -0.07 0.00 0.02 0.00 0.00 55.36 55.19 3doz s GLN 11 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 3doz s GLN 11 CO 0.00 0.51 0.06 -0.06 -2.12 0.00 0.00 175.29 173.67 3doz s PHE 12 N -0.26 3.16 0.61 0.91 0.40 -0.11 -4.99 117.98 117.71 3doz s PHE 12 Ca 0.12 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 3doz s PHE 12 Cb -0.12 -2.13 0.08 0.00 0.51 0.00 0.00 43.02 41.36 3doz s PHE 12 CO 0.02 -0.07 0.85 -0.06 0.70 0.00 0.00 175.22 176.66 3doz s PHE 13 N 0.88 1.97 0.32 0.36 0.40 -1.26 -1.29 117.98 119.36 3doz s PHE 13 Ca 0.03 -0.33 0.11 0.00 -0.60 0.00 0.00 56.93 56.13 3doz s PHE 13 Cb -0.14 -2.69 0.95 0.00 0.51 0.00 0.00 43.02 41.66 3doz s PHE 13 CO 0.02 -1.25 1.68 0.97 0.70 0.00 0.00 175.22 177.35 3doz h ILE 14 N -0.10 0.38 0.00 0.64 6.09 -1.91 0.21 117.51 122.82 3doz h ILE 14 Ca -0.36 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3doz h ILE 14 Cb 1.28 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.53 3doz h ILE 14 CO 0.44 0.07 0.00 1.05 -3.07 0.00 0.00 178.15 176.64 3doz h GLU 15 N 0.38 0.00 0.08 2.19 9.09 -1.94 0.24 114.58 124.62 3doz h GLU 15 Ca 0.67 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.94 3doz h GLU 15 Cb 1.42 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.54 3doz h GLU 15 CO -0.57 0.00 -0.59 0.45 0.05 0.00 0.00 179.01 178.35 3doz h HIS 16 N 0.00 0.43 -0.57 2.06 3.86 -0.98 -3.03 115.15 116.92 3doz h HIS 16 Ca 0.00 -0.29 0.07 0.00 -1.16 0.00 0.00 60.37 58.98 3doz h HIS 16 Cb 0.56 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.94 3doz h HIS 16 CO 0.00 1.20 0.26 0.82 0.86 0.00 0.00 177.93 181.07 3doz h ILE 17 N -0.46 0.88 -0.65 2.45 2.04 -1.00 -0.64 117.51 120.13 3doz h ILE 17 Ca -0.10 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.66 3doz h ILE 17 Cb 1.43 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3doz h ILE 17 CO 0.11 0.09 0.43 -0.07 0.00 0.00 0.00 178.15 178.71 3doz h LEU 18 N 0.49 0.56 -0.06 1.44 -0.00 -1.02 0.88 115.31 117.61 3doz h LEU 18 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 3doz h LEU 18 Cb 0.24 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 3doz h LEU 18 CO -0.22 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 178.59 3doz n GLN 19 N -4.48 0.04 -0.04 1.13 6.02 -0.27 -4.08 117.38 115.70 3doz n GLN 19 Ca 0.09 0.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.17 3doz n GLN 19 Cb 0.24 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 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 -1.63 0.41 -3.08 5.09 2.08 -0.48 -4.32 119.36 117.42 3doz n ILE 20 Ca 0.05 -0.12 -0.39 0.00 0.56 0.00 0.00 62.75 62.84 3doz n ILE 20 Cb 0.27 -1.26 -0.06 0.00 -0.75 0.00 0.00 39.64 37.84 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 -6.01 4.50 0.45 1.39 1.43 0.18 -4.74 118.68 115.89 3doz s LEU 21 Ca -0.10 1.41 0.25 0.00 -1.03 0.00 0.00 54.13 54.66 3doz s LEU 21 Cb 0.03 -3.12 0.49 0.00 0.03 0.00 0.00 46.19 43.62 3doz s LEU 21 CO 0.14 0.14 1.67 1.55 0.23 0.00 0.00 176.35 180.08 3doz h PRO 22 N 5.07 0.00 -6.86 1.29 0.13 -1.85 -3.43 132.00 126.34 3doz h PRO 22 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.10 3doz h PRO 22 Cb 1.21 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.48 3doz h PRO 22 CO 0.68 0.00 0.38 0.72 -0.23 0.00 0.00 178.00 179.55 3doz n HIS 23 N -3.09 1.70 -4.17 1.56 8.25 -1.26 -5.03 115.22 113.19 3doz n HIS 23 Ca 0.04 0.47 -0.14 0.00 -0.26 0.00 0.00 57.72 57.83 3doz n HIS 23 Cb 0.50 -2.29 -0.08 0.00 1.12 0.00 0.00 29.99 29.24 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 -2.52 1.55 0.20 -0.41 1.81 -1.26 -4.67 118.95 113.65 3doz s ARG 24 Ca 0.68 -1.70 -0.33 0.00 -1.72 0.00 0.00 55.73 52.67 3doz s ARG 24 Cb -0.46 0.35 -0.14 0.00 -0.45 0.00 0.00 34.95 34.25 3doz s ARG 24 CO 0.52 -0.58 1.47 0.98 -0.68 0.00 0.00 175.30 177.01 3doz n TYR 25 N -0.44 2.15 -1.34 -0.53 9.36 -1.26 0.98 117.16 126.08 3doz n TYR 25 Ca 0.03 0.39 -0.32 0.00 3.32 0.00 0.00 57.90 61.31 3doz n TYR 25 Cb 0.63 -2.48 0.10 0.00 -0.63 0.00 0.00 39.34 36.96 3doz n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3doz n PRO 26 N 2.61 2.63 -0.00 2.98 -0.04 -1.26 -4.92 135.00 137.00 3doz n PRO 26 Ca 0.14 -3.27 0.00 0.00 -0.04 0.00 0.00 63.50 60.34 3doz n PRO 26 Cb 0.29 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 -0.96 2.61 -3.17 0.54 2.81 0.28 -4.91 117.12 114.32 3doz n MET 27 Ca 0.61 -1.41 -0.44 0.00 -1.81 0.00 0.00 57.70 54.66 3doz n MET 27 Cb 0.86 -1.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.31 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 -0.90 5.20 -0.36 4.03 2.96 -0.93 -4.61 118.68 124.05 3doz s LEU 28 Ca 0.00 -1.14 0.06 0.00 -0.22 0.00 0.00 54.13 52.84 3doz s LEU 28 Cb 0.00 -2.37 0.57 0.00 0.50 0.00 0.00 46.19 44.89 3doz s LEU 28 CO 0.00 -0.93 1.65 0.18 -1.32 0.00 0.00 176.35 175.92 3doz n LEU 29 N 6.10 5.24 -3.88 -0.68 4.77 -1.26 -4.87 117.00 122.42 3doz n LEU 29 Ca -0.08 -3.77 -0.26 0.00 -0.03 0.00 0.00 56.01 51.87 3doz n LEU 29 Cb 0.44 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 3doz n LEU 29 CO 0.55 1.22 -0.43 -0.69 -1.33 0.00 0.00 177.39 176.71 3doz s VAL 30 N -3.36 0.89 -0.10 4.08 1.01 -1.26 -4.63 120.40 117.03 3doz s VAL 30 Ca 0.50 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.31 3doz s VAL 30 Cb 0.44 -0.93 -0.24 0.00 0.00 0.00 0.00 36.38 35.64 3doz s VAL 30 CO 0.04 0.34 0.45 0.47 0.00 0.00 0.00 175.10 176.40 3doz n ASP 31 N 4.96 1.48 -3.63 3.32 8.00 -0.43 -4.95 116.55 125.30 3doz n ASP 31 Ca -0.12 0.27 -0.16 0.00 0.71 0.00 0.00 54.79 55.49 3doz n ASP 31 Cb 0.50 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 3doz n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3doz s ARG 32 N -2.57 0.88 -0.27 -1.24 3.52 -0.92 -3.06 118.95 115.30 3doz s ARG 32 Ca -0.15 0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 3doz s ARG 32 Cb 0.07 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3doz s ARG 32 CO 0.79 -0.26 0.02 0.42 -0.81 0.00 0.00 175.30 175.46 3doz s ILE 33 N -1.24 3.63 -0.11 4.11 -1.09 -0.41 -1.55 121.20 124.55 3doz s ILE 33 Ca -0.12 -0.69 0.21 0.00 -2.23 0.00 0.00 60.65 57.82 3doz s ILE 33 Cb -0.02 -2.82 -0.22 0.00 -1.58 0.00 0.00 42.46 37.82 3doz s ILE 33 CO 0.07 0.19 0.62 0.35 -1.23 0.00 0.00 174.94 174.94 3doz n THR 34 N 4.81 0.40 -3.76 2.92 -2.24 -0.88 -0.93 114.28 114.60 3doz n THR 34 Ca -0.16 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 3doz n THR 34 Cb 0.49 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3doz n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3doz s GLU 35 N -3.33 0.41 -0.19 -0.78 2.12 -0.95 -4.62 118.70 111.35 3doz s GLU 35 Ca -0.06 0.44 -0.10 0.00 0.36 0.00 0.00 54.97 55.62 3doz s GLU 35 Cb 0.12 0.20 0.07 0.00 0.26 0.00 0.00 34.13 34.77 3doz s GLU 35 CO 0.86 -0.05 0.46 -1.17 -0.54 0.00 0.00 175.26 174.82 3doz s LEU 36 N 0.11 -0.33 -0.22 2.70 2.96 -1.26 -1.84 118.68 120.81 3doz s LEU 36 Ca -0.01 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 3doz s LEU 36 Cb -0.02 1.51 0.07 0.00 0.50 0.00 0.00 46.19 48.25 3doz s LEU 36 CO 0.01 -0.21 0.08 -1.10 -1.32 0.00 0.00 176.35 173.81 3doz s GLN 37 N 1.67 0.38 0.03 1.98 -0.21 -0.56 -5.03 119.66 117.92 3doz s GLN 37 Ca -0.08 -0.41 -0.36 0.00 0.02 0.00 0.00 55.36 54.53 3doz s GLN 37 Cb -0.09 -1.83 -0.19 0.00 1.00 0.00 0.00 33.01 31.91 3doz s GLN 37 CO -0.14 -0.76 0.93 0.00 -2.12 0.00 0.00 175.29 173.21 3doz n ALA 38 N 5.14 -3.39 -1.19 6.09 0.00 -1.26 -0.77 120.51 125.13 3doz n ALA 38 Ca -0.07 0.55 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 3doz n ALA 38 Cb 0.46 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 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 1.49 -4.89 0.01 0.00 5.03 -1.26 -4.73 115.26 110.91 3doz n ASN 39 Ca 0.19 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.86 3doz n ASN 39 Cb 0.10 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.21 3doz n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3doz n GLN 40 N -0.71 0.00 -3.92 3.52 6.02 0.05 -4.72 117.38 117.63 3doz n GLN 40 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.81 3doz n GLN 40 Cb 0.51 -0.02 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 3doz n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3doz s LYS 41 N -1.07 1.50 -0.14 -1.09 -2.85 -0.85 -0.03 119.74 115.21 3doz s LYS 41 Ca 0.00 -1.12 -0.13 0.00 -1.00 0.00 0.00 55.97 53.72 3doz s LYS 41 Cb 0.00 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 3doz s LYS 41 CO 0.00 -0.63 0.37 -1.50 0.10 0.00 0.00 175.35 173.69 3doz s ILE 42 N -3.97 0.00 -0.11 3.79 2.07 0.82 -1.50 121.20 122.30 3doz s ILE 42 Ca 0.17 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.43 3doz s ILE 42 Cb -0.01 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 42.07 3doz s ILE 42 CO 0.05 -0.00 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.22 3doz s VAL 43 N 0.18 1.59 0.31 4.00 1.01 -0.77 -1.14 120.40 125.58 3doz s VAL 43 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3doz s VAL 43 Cb -0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3doz s VAL 43 CO 0.01 0.46 0.40 0.00 0.00 0.00 0.00 175.10 175.96 3doz s ALA 44 N 0.96 0.84 0.21 5.51 0.00 -0.30 -2.06 121.76 126.92 3doz s ALA 44 Ca -0.06 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 3doz s ALA 44 Cb -0.15 1.23 0.03 0.00 0.00 0.00 0.00 23.12 24.22 3doz s ALA 44 CO -0.02 -0.75 0.56 1.52 0.00 0.00 0.00 175.76 177.07 3doz s TYR 45 N -3.42 -0.11 -0.02 0.00 1.13 -0.60 0.21 117.35 114.55 3doz s TYR 45 Ca 0.32 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.74 3doz s TYR 45 Cb 0.01 0.44 0.02 0.00 -1.10 0.00 0.00 41.96 41.33 3doz s TYR 45 CO 0.18 -0.98 -0.01 0.21 -2.51 0.00 0.00 175.55 172.44 3doz s LYS 46 N -3.89 0.27 0.33 -3.49 2.20 -0.03 -1.31 119.74 113.82 3doz s LYS 46 Ca 0.10 0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.47 3doz s LYS 46 Cb -0.02 -0.38 -0.10 0.00 -1.51 0.00 0.00 37.83 35.83 3doz s LYS 46 CO -0.00 -0.06 0.95 -0.80 -0.36 0.00 0.00 175.35 175.07 3doz s ASN 47 N 0.60 7.30 -0.23 1.43 0.01 -1.26 -0.78 114.94 122.02 3doz s ASN 47 Ca -0.06 1.84 -0.03 0.00 -0.71 0.00 0.00 52.86 53.90 3doz s ASN 47 Cb -0.09 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.00 3doz s ASN 47 CO -0.01 -0.10 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.79 3doz s ILE 48 N -1.64 3.10 0.20 0.60 -1.09 -0.27 -4.91 121.20 117.18 3doz s ILE 48 Ca 0.51 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 58.31 3doz s ILE 48 Cb -0.18 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.20 3doz s ILE 48 CO 0.23 0.36 -0.16 0.28 -1.23 0.00 0.00 174.94 174.42 3doz s THR 49 N 1.41 1.83 0.27 2.92 -1.32 -1.26 0.15 115.64 119.64 3doz s THR 49 Ca 0.04 -2.12 0.23 0.00 -1.21 0.00 0.00 61.69 58.63 3doz s THR 49 Cb -0.15 -1.99 0.23 0.00 -1.51 0.00 0.00 72.50 69.08 3doz s THR 49 CO -0.05 -0.48 1.90 0.15 -2.21 0.00 0.00 174.62 173.94 3doz h PHE 50 N 2.78 0.00 0.00 9.09 3.57 -1.95 -3.29 116.94 127.15 3doz h PHE 50 Ca -0.40 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 3doz h PHE 50 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3doz h PHE 50 CO 0.71 0.22 -0.03 -1.71 -2.23 0.00 0.00 178.31 175.28 3doz n ASN 51 N -3.57 3.84 -4.14 0.41 5.15 -1.26 -4.77 115.26 110.92 3doz n ASN 51 Ca -0.01 -2.05 -0.28 0.00 -0.60 0.00 0.00 54.58 51.64 3doz n ASN 51 Cb 0.37 -0.85 -0.17 0.00 -0.53 0.00 0.00 39.78 38.60 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 0.75 2.33 0.34 1.20 2.02 -1.24 -5.03 118.70 119.06 3doz s GLU 52 Ca 0.09 -0.68 0.11 0.00 0.02 0.00 0.00 54.97 54.51 3doz s GLU 52 Cb 0.04 -1.86 0.90 0.00 0.10 0.00 0.00 34.13 33.32 3doz s GLU 52 CO 0.00 0.16 1.76 0.22 0.02 0.00 0.00 175.26 177.41 3doz h ASP 53 N 6.66 0.65 -0.51 -0.19 1.82 -1.95 -1.63 116.42 121.27 3doz h ASP 53 Ca -0.26 0.11 0.15 0.00 -0.39 0.00 0.00 57.03 56.63 3doz h ASP 53 Cb 1.21 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 3doz h ASP 53 CO 0.47 0.15 0.46 1.62 -1.61 0.00 0.00 179.24 180.33 3doz h VAL 54 N 0.59 0.48 0.00 2.25 3.04 -1.96 -1.41 116.25 119.24 3doz h VAL 54 Ca 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.30 3doz h VAL 54 Cb 1.20 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3doz h VAL 54 CO -0.40 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.65 3doz n PHE 55 N -3.95 0.00 0.12 3.17 0.99 -0.61 -2.79 117.46 114.40 3doz n PHE 55 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.54 3doz n PHE 55 Cb 0.66 -0.48 0.28 0.00 -1.00 0.00 0.00 39.48 38.94 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 0.16 0.00 4.37 2.35 -1.45 -3.25 115.58 117.76 3doz h ASN 56 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3doz h ASN 56 Cb 0.34 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3doz h ASN 56 CO 0.00 0.53 -0.01 0.61 -1.65 0.00 0.00 177.43 176.92 3doz n GLY 57 N -0.32 3.72 2.33 2.83 0.00 -1.16 -4.11 105.19 108.48 3doz n GLY 57 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.90 -1.07 -4.36 1.61 -0.00 -1.12 -4.57 115.22 104.82 3doz n HIS 58 Ca 0.07 -3.15 -0.19 0.00 -0.00 0.00 0.00 57.72 54.46 3doz n HIS 58 Cb 0.43 0.12 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 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 -0.64 1.73 0.24 1.57 0.40 0.03 -1.25 117.98 120.07 3doz s PHE 59 Ca 0.34 -0.64 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 3doz s PHE 59 Cb 0.16 -0.87 -0.14 0.00 0.51 0.00 0.00 43.02 42.67 3doz s PHE 59 CO -0.14 0.29 1.26 -2.30 0.70 0.00 0.00 175.22 175.03 3doz n PRO 60 N -0.42 1.69 -1.04 0.24 -0.02 -1.26 -0.90 135.00 133.28 3doz n PRO 60 Ca -0.07 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 3doz n PRO 60 Cb 0.61 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.80 -5.95 -2.83 2.55 4.13 -1.26 -4.83 115.26 108.87 3doz n ASN 61 Ca 0.11 0.04 -0.06 0.00 1.68 0.00 0.00 54.58 56.35 3doz n ASN 61 Cb 0.30 -3.59 -0.00 0.00 -1.54 0.00 0.00 39.78 34.95 3doz n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3doz s LYS 62 N -2.12 1.06 -0.02 3.52 2.47 -0.08 -5.14 119.74 119.42 3doz s LYS 62 Ca 0.00 -1.17 -0.30 0.00 -1.56 0.00 0.00 55.97 52.94 3doz s LYS 62 Cb 0.00 -0.19 -0.06 0.00 -1.46 0.00 0.00 37.83 36.12 3doz s LYS 62 CO 0.00 -1.34 1.60 -1.25 0.16 0.00 0.00 175.35 174.52 3doz s PRO 63 N 0.79 4.20 -0.09 4.03 0.04 -1.23 -0.79 135.00 141.96 3doz s PRO 63 Ca 0.30 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 3doz s PRO 63 Cb 0.00 -3.84 0.04 0.00 0.04 0.00 0.00 34.50 30.74 3doz s PRO 63 CO -0.07 -0.78 0.04 0.42 0.04 0.00 0.00 177.00 176.66 3doz s ILE 64 N 3.48 0.17 0.14 0.56 -1.09 -0.38 -4.64 121.20 119.44 3doz s ILE 64 Ca 0.71 0.09 -0.31 0.00 -2.23 0.00 0.00 60.65 58.91 3doz s ILE 64 Cb -0.34 -0.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.96 3doz s ILE 64 CO 0.29 0.09 1.66 0.12 -1.23 0.00 0.00 174.94 175.87 3doz s PHE 65 N 2.04 2.71 0.04 3.97 5.36 -0.50 -4.58 117.98 127.02 3doz s PHE 65 Ca 0.04 0.39 -0.36 0.00 -0.96 0.00 0.00 56.93 56.04 3doz s PHE 65 Cb -0.13 -4.01 -0.15 0.00 -0.34 0.00 0.00 43.02 38.39 3doz s PHE 65 CO -0.05 -3.93 1.56 -2.30 -1.46 0.00 0.00 175.22 169.05 3doz n PRO 66 N 4.69 1.69 -0.25 10.12 -0.02 -1.26 -4.68 135.00 145.29 3doz n PRO 66 Ca 0.15 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 3doz n PRO 66 Cb 0.38 -2.34 0.35 0.00 -0.02 0.00 0.00 33.50 31.88 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 6.13 1.14 2.00 -1.23 0.00 -1.99 0.23 103.07 109.36 3doz h GLY 67 Ca -0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 3doz h GLY 67 CO 0.87 0.16 -0.16 -0.39 0.00 0.00 0.00 176.54 177.02 3doz h VAL 68 N 0.75 0.64 0.00 4.60 -1.51 -2.00 -1.47 116.25 117.26 3doz h VAL 68 Ca 0.40 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3doz h VAL 68 Cb 0.52 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3doz h VAL 68 CO -0.17 0.16 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.04 3doz h LEU 69 N 0.00 0.00 -0.05 4.19 3.38 -1.32 -1.92 115.31 119.60 3doz h LEU 69 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3doz h LEU 69 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3doz h LEU 69 CO 0.02 0.01 -0.10 0.40 0.09 0.00 0.00 178.44 178.86 3doz h ILE 70 N 0.00 1.43 -0.98 1.22 2.04 -0.89 -0.66 117.51 119.67 3doz h ILE 70 Ca 0.00 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.47 3doz h ILE 70 Cb 0.91 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 3doz h ILE 70 CO 0.00 0.39 0.64 0.58 0.00 0.00 0.00 178.15 179.76 3doz h VAL 71 N -0.36 1.18 -0.54 1.67 2.07 -1.43 0.01 116.25 118.85 3doz h VAL 71 Ca 0.00 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3doz h VAL 71 Cb 0.68 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3doz h VAL 71 CO 0.02 0.23 0.15 -0.08 0.02 0.00 0.00 177.57 177.91 3doz h GLU 72 N 1.25 0.81 -0.36 1.57 4.57 -1.20 0.11 114.58 121.34 3doz h GLU 72 Ca 0.39 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 3doz h GLU 72 Cb -0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3doz h GLU 72 CO -0.12 0.72 -0.27 0.78 -1.18 0.00 0.00 179.01 178.94 3doz h GLY 73 N 0.95 0.81 1.34 1.92 0.00 0.08 -0.79 103.07 107.39 3doz h GLY 73 Ca 0.18 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 3doz h GLY 73 CO -0.01 0.66 -0.31 -0.33 0.00 0.00 0.00 176.54 176.55 3doz h MET 74 N 0.64 0.74 -0.50 4.80 2.86 -0.45 -1.83 114.93 121.19 3doz h MET 74 Ca 0.08 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 3doz h MET 74 Cb 0.79 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3doz h MET 74 CO 0.06 0.96 0.03 0.00 1.06 0.00 0.00 176.91 179.02 3doz h ALA 75 N 1.02 0.68 -0.58 6.32 0.00 -0.50 -1.53 119.26 124.65 3doz h ALA 75 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3doz h ALA 75 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3doz h ALA 75 CO 0.07 0.46 0.13 1.96 0.00 0.00 0.00 179.25 181.87 3doz h GLN 76 N 0.74 0.95 -0.43 0.00 4.20 -1.06 0.11 115.11 119.61 3doz h GLN 76 Ca 0.15 -0.23 0.07 0.00 0.06 0.00 0.00 58.65 58.69 3doz h GLN 76 Cb 0.48 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 3doz h GLN 76 CO 0.02 0.88 0.09 0.77 -0.67 0.00 0.00 178.83 179.92 3doz h SER 77 N 0.85 0.01 0.41 1.46 0.02 -0.99 0.42 113.55 115.74 3doz h SER 77 Ca 0.18 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3doz h SER 77 Cb 0.37 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3doz h SER 77 CO 0.00 0.04 -0.28 1.23 -1.14 0.00 0.00 176.83 176.69 3doz h GLY 78 N 0.22 0.00 0.92 -3.77 0.00 -0.95 -2.06 103.07 97.42 3doz h GLY 78 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3doz h GLY 78 CO -0.27 0.00 0.10 -1.33 0.00 0.00 0.00 176.54 175.03 3doz h GLY 79 N 1.10 0.31 1.37 4.60 0.00 0.24 0.25 103.07 110.94 3doz h GLY 79 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3doz h GLY 79 CO 0.04 0.15 0.26 -2.75 0.00 0.00 0.00 176.54 174.24 3doz h PHE 80 N 0.19 0.82 -0.12 5.60 3.57 -0.45 0.11 116.94 126.66 3doz h PHE 80 Ca 0.07 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 3doz h PHE 80 Cb 0.12 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3doz h PHE 80 CO -0.02 0.61 -0.48 1.25 -2.23 0.00 0.00 178.31 177.44 3doz h LEU 81 N 0.82 0.34 0.21 0.59 5.85 -0.95 -2.19 115.31 119.99 3doz h LEU 81 Ca 0.20 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3doz h LEU 81 Cb 0.11 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3doz h LEU 81 CO -0.02 0.77 -0.10 0.00 -0.34 0.00 0.00 178.44 178.74 3doz h ALA 82 N 1.24 -0.29 -0.01 1.25 0.00 0.95 -1.30 119.26 121.11 3doz h ALA 82 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3doz h ALA 82 Cb 0.94 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3doz h ALA 82 CO 0.08 -0.45 -0.21 0.74 0.00 0.00 0.00 179.25 179.41 3doz h PHE 83 N -0.71 -0.56 -0.52 0.00 -1.00 -0.82 -2.17 116.94 111.16 3doz h PHE 83 Ca -0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3doz h PHE 83 Cb 0.49 0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 3doz h PHE 83 CO 0.05 -0.30 0.27 1.79 -1.61 0.00 0.00 178.31 178.51 3doz h THR 84 N -0.33 1.18 0.00 -1.55 1.35 -1.47 -0.84 112.91 111.25 3doz h THR 84 Ca 0.06 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 3doz h THR 84 Cb 0.42 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3doz h THR 84 CO -0.20 0.20 -0.06 0.28 -0.25 0.00 0.00 175.52 175.49 3doz h SER 85 N 0.69 0.00 0.03 5.36 0.02 -1.08 0.47 113.55 119.04 3doz h SER 85 Ca 0.18 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 3doz h SER 85 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3doz h SER 85 CO -0.03 0.06 -0.82 0.25 -1.14 0.00 0.00 176.83 175.15 3doz h LEU 86 N 0.00 0.11 -1.21 5.07 5.85 -0.83 -3.43 115.31 120.87 3doz h LEU 86 Ca -0.00 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3doz h LEU 86 Cb 0.12 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3doz h LEU 86 CO 0.01 1.34 0.00 0.79 -0.34 0.00 0.00 178.44 180.24 3doz n TRP 87 N -4.37 0.00 -4.19 1.25 8.01 -0.37 -5.12 117.44 112.65 3doz n TRP 87 Ca -0.22 -0.12 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 3doz n TRP 87 Cb 0.66 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.95 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 -0.12 -1.55 3.57 6.99 0.00 0.16 -4.26 105.19 109.98 3doz n GLY 88 Ca 0.00 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 2.75 -0.61 1.61 5.36 -1.26 -4.21 117.98 121.62 3doz s PHE 89 Ca 0.00 -1.42 0.04 0.00 -0.96 0.00 0.00 56.93 54.59 3doz s PHE 89 Cb 0.00 -4.71 0.15 0.00 -0.34 0.00 0.00 43.02 38.12 3doz s PHE 89 CO 0.00 -1.82 0.37 0.34 -1.46 0.00 0.00 175.22 172.65 3doz s ASP 90 N 4.38 4.62 0.40 6.13 -1.08 -1.26 -4.96 116.67 124.90 3doz s ASP 90 Ca 0.51 -3.34 0.13 0.00 -0.52 0.00 0.00 52.55 49.33 3doz s ASP 90 Cb 0.02 -1.66 0.97 0.00 -1.46 0.00 0.00 42.92 40.79 3doz s ASP 90 CO 0.02 -0.18 1.92 -0.65 0.52 0.00 0.00 175.17 176.79 3doz h PRO 91 N 6.11 0.50 -0.49 4.34 0.11 -1.89 -1.65 132.00 139.02 3doz h PRO 91 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3doz h PRO 91 Cb 0.84 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3doz h PRO 91 CO 0.71 0.33 0.27 1.49 -0.21 0.00 0.00 178.00 180.58 3doz h GLU 92 N 0.51 0.69 -0.11 1.05 4.81 -1.93 -1.38 114.58 118.23 3doz h GLU 92 Ca 0.37 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3doz h GLU 92 Cb 0.73 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3doz h GLU 92 CO -0.13 0.55 -0.30 0.82 -0.73 0.00 0.00 179.01 179.22 3doz h ILE 93 N 0.66 1.39 -0.39 2.32 2.04 -1.83 -3.32 117.51 118.38 3doz h ILE 93 Ca 0.17 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.48 3doz h ILE 93 Cb 0.06 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 3doz h ILE 93 CO -0.03 0.47 -0.48 0.00 0.00 0.00 0.00 178.15 178.11 3doz h ALA 94 N 0.50 -0.58 0.00 1.87 0.00 -1.10 -1.44 119.26 118.50 3doz h ALA 94 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3doz h ALA 94 Cb 0.91 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3doz h ALA 94 CO 0.06 -0.95 0.57 1.57 0.00 0.00 0.00 179.25 180.51 3doz h LYS 95 N -0.37 0.00 0.00 0.00 2.10 -1.35 0.28 116.57 117.23 3doz h LYS 95 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 3doz h LYS 95 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3doz h LYS 95 CO -0.58 0.00 -1.10 -2.37 -2.00 0.00 0.00 179.45 173.40 3doz n THR 96 N -2.00 0.10 -3.42 0.07 5.66 -0.54 -4.99 114.28 109.16 3doz n THR 96 Ca -0.00 -0.21 -0.21 0.00 -3.05 0.00 0.00 64.05 60.58 3doz n THR 96 Cb 0.59 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 3doz n THR 96 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3doz s LYS 97 N -3.18 2.45 0.22 1.09 3.01 0.97 -0.93 119.74 123.37 3doz s LYS 97 Ca 0.04 -1.64 -0.04 0.00 -1.01 0.00 0.00 55.97 53.32 3doz s LYS 97 Cb 0.15 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.50 3doz s LYS 97 CO 0.82 -0.48 0.23 0.96 0.51 0.00 0.00 175.35 177.40 3doz s ILE 98 N -2.58 0.00 -0.09 2.17 -4.36 -0.05 -4.74 121.20 111.55 3doz s ILE 98 Ca 0.49 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 3doz s ILE 98 Cb -0.05 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.24 3doz s ILE 98 CO 0.30 0.00 -0.16 -0.69 0.24 0.00 0.00 174.94 174.62 3doz s VAL 99 N -4.07 1.52 -0.09 8.37 1.01 -1.26 -0.76 120.40 125.12 3doz s VAL 99 Ca 0.35 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3doz s VAL 99 Cb 0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3doz s VAL 99 CO 0.12 0.44 -0.04 -0.31 0.00 0.00 0.00 175.10 175.31 3doz s TYR 100 N 0.70 3.03 0.08 5.22 1.51 0.91 -4.94 117.35 123.86 3doz s TYR 100 Ca -0.13 0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 3doz s TYR 100 Cb -0.16 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 3doz s TYR 100 CO 0.03 0.32 0.98 -0.06 -1.11 0.00 0.00 175.55 175.71 3doz s PHE 101 N -0.65 3.75 -0.13 2.71 0.08 -1.26 -0.11 117.98 122.37 3doz s PHE 101 Ca 0.10 1.75 -0.07 0.00 0.12 0.00 0.00 56.93 58.84 3doz s PHE 101 Cb -0.12 -3.09 -0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3doz s PHE 101 CO 0.02 0.08 -0.17 -1.33 -0.10 0.00 0.00 175.22 173.72 3doz n MET 102 N 3.11 0.28 -3.81 0.44 2.81 -0.19 -4.90 117.12 114.86 3doz n MET 102 Ca 0.03 0.12 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 3doz n MET 102 Cb 0.49 -0.97 -0.08 0.00 -0.71 0.00 0.00 33.22 31.95 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 -2.25 0.09 -0.00 2.03 -4.23 -0.87 -4.99 115.64 105.42 3doz s THR 103 Ca -0.18 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3doz s THR 103 Cb 0.07 -0.86 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 3doz s THR 103 CO 0.23 -0.42 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.24 3doz s ILE 104 N -2.36 0.18 0.11 2.99 1.01 -1.26 -1.43 121.20 120.44 3doz s ILE 104 Ca -0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 3doz s ILE 104 Cb -0.02 -0.16 0.07 0.00 0.01 0.00 0.00 42.46 42.37 3doz s ILE 104 CO -0.02 0.05 0.65 -0.62 0.00 0.00 0.00 174.94 174.99 3doz s ASP 105 N -0.04 -0.56 -1.43 3.58 3.68 0.10 -4.97 116.67 117.03 3doz s ASP 105 Ca 0.01 0.10 -0.10 0.00 2.13 0.00 0.00 52.55 54.69 3doz s ASP 105 Cb -0.01 0.57 0.03 0.00 -1.45 0.00 0.00 42.92 42.06 3doz s ASP 105 CO -0.00 -0.88 1.05 0.29 0.13 0.00 0.00 175.17 175.76 3doz n LYS 106 N -0.17 -6.80 -3.53 4.34 4.76 -1.26 -0.61 118.16 114.89 3doz n LYS 106 Ca -0.16 0.76 -0.38 0.00 -2.87 0.00 0.00 58.31 55.66 3doz n LYS 106 Cb 0.63 -5.74 -0.06 0.00 -1.84 0.00 0.00 35.03 28.03 3doz n LYS 106 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3doz s VAL 107 N -3.29 5.07 -0.06 -0.18 -7.23 -1.26 -3.91 120.40 109.55 3doz s VAL 107 Ca 0.58 0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 61.50 3doz s VAL 107 Cb -0.27 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.01 3doz s VAL 107 CO 0.71 0.58 0.13 -0.54 -0.31 0.00 0.00 175.10 175.67 3doz s LYS 108 N -1.03 0.11 -0.21 4.82 1.02 -0.28 -4.98 119.74 119.19 3doz s LYS 108 Ca 0.23 0.28 -0.05 0.00 0.02 0.00 0.00 55.97 56.45 3doz s LYS 108 Cb -0.16 -0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 3doz s LYS 108 CO 0.13 -0.10 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.39 3doz s PHE 109 N 0.66 3.01 -0.18 3.18 0.40 -1.26 -1.45 117.98 122.34 3doz s PHE 109 Ca -0.05 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 3doz s PHE 109 Cb -0.07 -2.11 -0.13 0.00 0.51 0.00 0.00 43.02 41.22 3doz s PHE 109 CO -0.03 -0.37 -0.12 0.54 0.70 0.00 0.00 175.22 175.94 3doz n ARG 110 N 4.52 0.70 -4.58 0.44 1.74 -0.66 -5.00 116.66 113.83 3doz n ARG 110 Ca -0.17 0.08 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 3doz n ARG 110 Cb 0.51 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.37 1.04 0.23 0.55 1.01 -1.07 -5.06 121.20 115.53 3doz s ILE 111 Ca -0.21 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 3doz s ILE 111 Cb 0.06 -0.89 -0.09 0.00 0.01 0.00 0.00 42.46 41.55 3doz s ILE 111 CO 0.46 0.31 1.23 -2.84 0.00 0.00 0.00 174.94 174.10 3doz s PRO 112 N -0.02 4.47 -0.08 2.79 0.02 -1.26 -4.80 135.00 136.11 3doz s PRO 112 Ca -0.00 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 3doz s PRO 112 Cb -0.08 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 3doz s PRO 112 CO 0.01 -0.10 0.28 0.08 -0.33 0.00 0.00 177.00 176.94 3doz s VAL 113 N -0.35 5.26 0.23 3.83 1.01 -1.26 -5.03 120.40 124.10 3doz s VAL 113 Ca 0.52 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3doz s VAL 113 Cb -0.35 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3doz s VAL 113 CO 0.40 0.55 0.11 0.42 0.00 0.00 0.00 175.10 176.58 3doz s THR 114 N -0.67 0.32 0.31 3.92 -4.23 -1.26 -1.42 115.64 112.60 3doz s THR 114 Ca 0.19 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.41 3doz s THR 114 Cb -0.14 -2.56 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 3doz s THR 114 CO 0.08 -0.01 1.31 -2.65 -0.54 0.00 0.00 174.62 172.80 3doz n PRO 115 N -0.37 2.06 0.00 3.99 -0.02 -1.26 -1.99 135.00 137.41 3doz n PRO 115 Ca 0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3doz n PRO 115 Cb 0.66 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.23 2.81 3.81 -1.23 0.00 0.38 -4.91 105.19 107.28 3doz n GLY 116 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.33 7.08 -0.51 1.61 1.01 -0.84 -4.87 116.67 118.81 3doz s ASP 117 Ca 0.00 1.58 -0.16 0.00 0.71 0.00 0.00 52.55 54.69 3doz s ASP 117 Cb 0.00 -2.49 0.11 0.00 1.01 0.00 0.00 42.92 41.55 3doz s ASP 117 CO 0.00 -0.12 0.45 -0.60 0.21 0.00 0.00 175.17 175.11 3doz s ARG 118 N -2.42 2.98 -0.68 8.23 3.52 -1.26 -1.12 118.95 128.19 3doz s ARG 118 Ca 0.51 -1.56 -0.27 0.00 -0.13 0.00 0.00 55.73 54.29 3doz s ARG 118 Cb -0.15 -4.22 0.04 0.00 -1.56 0.00 0.00 34.95 29.06 3doz s ARG 118 CO 0.20 -1.20 1.20 -1.17 -0.81 0.00 0.00 175.30 173.52 3doz s LEU 119 N 1.61 3.44 -0.16 -0.88 2.96 0.04 -4.47 118.68 121.23 3doz s LEU 119 Ca 0.03 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 3doz s LEU 119 Cb -0.28 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3doz s LEU 119 CO 0.04 -1.67 0.44 -0.70 -1.32 0.00 0.00 176.35 173.14 3doz s GLU 120 N 5.24 4.26 -0.16 1.98 2.12 0.02 -0.85 118.70 131.32 3doz s GLU 120 Ca 0.35 0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.89 3doz s GLU 120 Cb -0.09 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3doz s GLU 120 CO 0.17 0.06 0.22 0.71 -0.54 0.00 0.00 175.26 175.88 3doz s TYR 121 N 0.97 3.49 -0.25 5.30 1.51 0.57 0.24 117.35 129.17 3doz s TYR 121 Ca 0.23 0.52 -0.00 0.00 -1.01 0.00 0.00 57.07 56.81 3doz s TYR 121 Cb -0.15 -2.21 0.07 0.00 -0.11 0.00 0.00 41.96 39.56 3doz s TYR 121 CO 0.09 0.36 0.01 -1.01 -1.11 0.00 0.00 175.55 173.89 3doz s HIS 122 N 0.08 2.07 0.03 2.71 3.76 0.35 -1.15 115.29 123.15 3doz s HIS 122 Ca 0.14 -1.68 0.05 0.00 -0.15 0.00 0.00 55.06 53.42 3doz s HIS 122 Cb -0.12 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.92 3doz s HIS 122 CO 0.03 -0.78 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.47 3doz s LEU 123 N 1.50 2.14 0.14 0.89 1.02 -0.30 -0.89 118.68 123.18 3doz s LEU 123 Ca 0.00 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 53.80 3doz s LEU 123 Cb -0.18 -0.68 -0.04 0.00 0.02 0.00 0.00 46.19 45.31 3doz s LEU 123 CO -0.11 0.08 -0.16 -1.83 0.02 0.00 0.00 176.35 174.35 3doz s GLU 124 N -0.99 1.12 0.12 1.70 -1.05 0.06 -0.13 118.70 119.54 3doz s GLU 124 Ca 0.03 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.24 3doz s GLU 124 Cb -0.08 -1.07 -0.07 0.00 -0.44 0.00 0.00 34.13 32.48 3doz s GLU 124 CO 0.01 0.21 1.14 0.08 0.95 0.00 0.00 175.26 177.65 3doz s VAL 125 N -2.12 3.96 -0.19 1.83 1.01 0.95 -1.80 120.40 124.06 3doz s VAL 125 Ca 0.12 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 3doz s VAL 125 Cb -0.05 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 3doz s VAL 125 CO 0.04 0.20 -0.19 0.18 0.00 0.00 0.00 175.10 175.34 3doz n LEU 126 N 3.05 2.63 -3.59 3.92 4.77 0.46 -4.92 117.00 123.32 3doz n LEU 126 Ca 0.05 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 3doz n LEU 126 Cb 0.46 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3doz n LEU 126 CO 0.54 0.72 0.68 -0.75 -1.33 0.00 0.00 177.39 177.26 3doz s LYS 127 N -2.37 0.66 -0.08 3.23 2.36 -0.94 -5.02 119.74 117.59 3doz s LYS 127 Ca -0.26 0.38 -0.22 0.00 -2.55 0.00 0.00 55.97 53.32 3doz s LYS 127 Cb 0.07 0.32 0.05 0.00 -1.05 0.00 0.00 37.83 37.22 3doz s LYS 127 CO 0.41 -0.16 0.51 -3.38 1.55 0.00 0.00 175.35 174.28 3doz s HIS 128 N -0.58 -0.47 -0.24 4.03 -3.43 -1.26 0.09 115.29 113.43 3doz s HIS 128 Ca -0.02 0.92 -0.10 0.00 -0.80 0.00 0.00 55.06 55.06 3doz s HIS 128 Cb -0.02 0.24 0.09 0.00 -1.43 0.00 0.00 32.58 31.46 3doz s HIS 128 CO 0.00 -0.44 0.55 0.21 -2.00 0.00 0.00 174.74 173.06 3doz s LYS 129 N -0.83 0.50 6.29 -0.38 2.20 -0.21 -5.02 119.74 122.29 3doz s LYS 129 Ca -0.09 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 3doz s LYS 129 Cb -0.03 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 3doz s LYS 129 CO 0.05 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3doz n GLY 130 N 4.93 3.65 0.28 5.54 0.00 -1.26 -0.84 105.19 117.49 3doz n GLY 130 Ca -0.15 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 14.00 0.93 -3.19 1.61 2.81 -1.26 -4.86 117.12 127.16 3doz n MET 131 Ca 0.00 -0.56 -0.40 0.00 -1.81 0.00 0.00 57.70 54.93 3doz n MET 131 Cb 0.00 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.46 5.07 -0.06 2.02 -1.09 -0.02 -1.98 121.20 122.69 3doz s ILE 132 Ca 0.25 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 3doz s ILE 132 Cb 0.19 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 3doz s ILE 132 CO 0.51 0.15 -0.09 0.26 -1.23 0.00 0.00 174.94 174.54 3doz s TRP 133 N 1.77 1.13 -0.29 3.97 0.52 -0.29 -1.04 118.94 124.71 3doz s TRP 133 Ca 0.26 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 3doz s TRP 133 Cb -0.16 -0.89 0.03 0.00 -1.15 0.00 0.00 33.47 31.31 3doz s TRP 133 CO 0.10 -0.24 0.01 -1.14 0.02 0.00 0.00 176.95 175.70 3doz s GLN 134 N 0.80 2.76 0.26 4.98 0.74 0.11 -0.57 119.66 128.74 3doz s GLN 134 Ca -0.13 -1.05 0.11 0.00 0.05 0.00 0.00 55.36 54.34 3doz s GLN 134 Cb -0.15 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 3doz s GLN 134 CO 0.02 -0.51 -0.18 0.14 -0.55 0.00 0.00 175.29 174.21 3doz s VAL 135 N 1.36 2.26 0.14 1.34 -7.23 0.92 -0.40 120.40 118.78 3doz s VAL 135 Ca -0.01 -2.34 -0.10 0.00 -1.81 0.00 0.00 61.98 57.71 3doz s VAL 135 Cb -0.18 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3doz s VAL 135 CO -0.01 -0.45 0.29 -0.83 -0.31 0.00 0.00 175.10 173.78 3doz s GLY 136 N -3.44 0.25 0.00 2.32 0.00 -0.74 -0.62 107.32 105.09 3doz s GLY 136 Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3doz s GLY 136 CO 0.12 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.10 3doz n GLY 137 N -0.18 -0.48 3.26 0.20 0.00 -0.79 -0.76 105.19 106.44 3doz n GLY 137 Ca -0.11 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.89 0.28 -0.09 2.61 -4.23 -0.07 -1.72 115.64 108.52 3doz s THR 138 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3doz s THR 138 Cb 0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3doz s THR 138 CO 0.00 -0.01 -0.21 0.00 -0.54 0.00 0.00 174.62 173.86 3doz s ALA 139 N -3.96 1.97 0.08 3.99 0.00 0.23 -0.49 121.76 123.58 3doz s ALA 139 Ca 0.38 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.56 3doz s ALA 139 Cb 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3doz s ALA 139 CO 0.13 0.25 -0.19 -0.65 0.00 0.00 0.00 175.76 175.31 3doz s GLN 140 N 0.40 1.05 -0.16 0.00 -0.21 0.14 -0.23 119.66 120.65 3doz s GLN 140 Ca -0.18 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.14 3doz s GLN 140 Cb -0.17 -1.22 0.04 0.00 1.00 0.00 0.00 33.01 32.66 3doz s GLN 140 CO 0.08 0.29 -0.03 0.08 -2.12 0.00 0.00 175.29 173.58 3doz s VAL 141 N -1.13 0.95 -1.32 1.09 1.01 -0.35 -0.80 120.40 119.85 3doz s VAL 141 Ca 0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3doz s VAL 141 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3doz s VAL 141 CO 0.03 0.10 0.84 -0.67 0.00 0.00 0.00 175.10 175.41 3doz n ASP 142 N 4.93 -2.29 0.00 3.32 4.64 -1.26 -2.00 116.55 123.88 3doz n ASP 142 Ca -0.11 -0.75 0.00 0.00 -1.38 0.00 0.00 54.79 52.55 3doz n ASP 142 Cb 0.48 -4.34 0.00 0.00 -1.04 0.00 0.00 41.12 36.22 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 -1.53 0.60 3.70 0.27 0.00 -1.26 -5.01 105.19 101.96 3doz n GLY 143 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.40 2.87 -0.54 1.61 1.02 -0.85 -5.06 119.74 118.40 3doz s LYS 144 Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 3doz s LYS 144 Cb 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 3doz s LYS 144 CO 0.00 0.64 1.35 0.08 -0.92 0.00 0.00 175.35 176.50 3doz s VAL 145 N -1.08 3.88 -0.21 3.17 1.01 -1.26 -1.21 120.40 124.69 3doz s VAL 145 Ca 0.19 0.79 0.18 0.00 0.00 0.00 0.00 61.98 63.14 3doz s VAL 145 Cb -0.12 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 31.84 3doz s VAL 145 CO 0.10 -1.14 1.26 0.58 0.00 0.00 0.00 175.10 175.91 3doz h VAL 146 N 6.34 0.50 -1.48 2.92 2.07 -0.93 -3.41 116.25 122.26 3doz h VAL 146 Ca -0.26 -1.78 0.17 0.00 0.82 0.00 0.00 66.70 65.65 3doz h VAL 146 Cb 1.08 2.12 -0.22 0.00 -1.52 0.00 0.00 31.29 32.76 3doz h VAL 146 CO 1.16 0.29 0.72 0.00 0.02 0.00 0.00 177.57 179.76 3doz s ALA 147 N -3.05 -2.01 0.08 1.67 0.00 -0.85 -1.65 121.76 115.96 3doz s ALA 147 Ca 0.02 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3doz s ALA 147 Cb 0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3doz s ALA 147 CO 0.76 -0.41 -0.10 -1.83 0.00 0.00 0.00 175.76 174.18 3doz s GLU 148 N -1.66 0.77 0.16 0.00 -1.05 -0.53 0.76 118.70 117.15 3doz s GLU 148 Ca 0.05 -1.06 -0.24 0.00 -0.15 0.00 0.00 54.97 53.57 3doz s GLU 148 Cb -0.01 -0.48 0.07 0.00 -0.44 0.00 0.00 34.13 33.28 3doz s GLU 148 CO -0.04 0.08 1.03 0.00 0.95 0.00 0.00 175.26 177.28 3doz s ALA 149 N -2.19 -1.66 -0.03 -0.84 0.00 -0.70 -1.13 121.76 115.20 3doz s ALA 149 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3doz s ALA 149 Cb -0.04 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.77 3doz s ALA 149 CO -0.00 -1.06 0.09 -1.21 0.00 0.00 0.00 175.76 173.59 3doz s GLU 150 N -2.61 0.13 -0.01 0.00 2.02 0.22 -1.88 118.70 116.57 3doz s GLU 150 Ca 0.18 0.09 -0.22 0.00 0.02 0.00 0.00 54.97 55.03 3doz s GLU 150 Cb -0.02 0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.32 3doz s GLU 150 CO 0.03 -0.02 0.49 -0.48 0.02 0.00 0.00 175.26 175.31 3doz s LEU 151 N -0.05 0.09 -0.10 1.80 0.05 0.21 0.02 118.68 120.68 3doz s LEU 151 Ca -0.01 0.31 0.03 0.00 0.05 0.00 0.00 54.13 54.51 3doz s LEU 151 Cb -0.01 1.94 0.01 0.00 -2.05 0.00 0.00 46.19 46.07 3doz s LEU 151 CO 0.00 -0.59 -0.19 -0.75 -0.55 0.00 0.00 176.35 174.28 3doz s LYS 152 N -1.65 2.57 0.33 1.48 2.20 -0.51 -0.06 119.74 124.10 3doz s LYS 152 Ca -0.10 -0.70 0.05 0.00 -0.36 0.00 0.00 55.97 54.86 3doz s LYS 152 Cb -0.02 -2.05 -0.07 0.00 -1.51 0.00 0.00 37.83 34.19 3doz s LYS 152 CO 0.04 0.05 0.02 0.00 -0.36 0.00 0.00 175.35 175.11 3doz s ALA 153 N 0.65 2.51 -0.05 3.13 0.00 0.27 -1.02 121.76 127.26 3doz s ALA 153 Ca -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.76 3doz s ALA 153 Cb -0.16 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3doz s ALA 153 CO 0.03 -0.22 -0.03 1.41 0.00 0.00 0.00 175.76 176.95 3doz s MET 154 N -3.82 0.72 -0.02 0.00 1.75 0.84 -1.14 119.30 117.64 3doz s MET 154 Ca 0.35 -0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.53 3doz s MET 154 Cb 0.08 -0.83 -0.05 0.00 2.84 0.00 0.00 34.83 36.87 3doz s MET 154 CO 0.15 -0.14 0.64 0.42 -0.65 0.00 0.00 175.02 175.45 3doz s ILE 155 N 1.15 4.94 0.05 10.11 1.01 -0.84 -0.07 121.20 137.56 3doz s ILE 155 Ca -0.07 1.34 0.01 0.00 0.00 0.00 0.00 60.65 61.92 3doz s ILE 155 Cb -0.14 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3doz s ILE 155 CO -0.01 0.36 -0.05 0.00 0.00 0.00 0.00 174.94 175.24 3doz s ALA 156 N 0.16 0.52 0.36 9.38 0.00 0.06 -4.77 121.76 127.46 3doz s ALA 156 Ca 0.34 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 3doz s ALA 156 Cb -0.18 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 3doz s ALA 156 CO 0.18 -0.21 1.27 -1.21 0.00 0.00 0.00 175.76 175.78 3doz s GLU 157 N -2.75 4.23 0.00 0.00 0.41 -1.26 -0.88 118.70 118.46 3doz s GLU 157 Ca -0.02 2.11 0.14 0.00 -0.41 0.00 0.00 54.97 56.79 3doz s GLU 157 Cb -0.01 -2.94 0.83 0.00 -1.78 0.00 0.00 34.13 30.23 3doz s GLU 157 CO -0.04 -0.25 1.52 -2.13 -0.49 0.00 0.00 175.26 173.86 3doz n ARG 158 N 0.55 0.97 0.00 1.61 0.63 -0.11 -4.80 116.66 115.51 3doz n ARG 158 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3doz n ARG 158 Cb 0.43 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.12 3doz n ARG 158 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51