#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 2.12 -0.08 -1.46 0.74 -1.26 -3.06 119.66 116.66 3doz s GLN 11 Ca 0.00 -0.81 0.04 0.00 0.05 0.00 0.00 55.36 54.63 3doz s GLN 11 Cb 0.00 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 3doz s GLN 11 CO 0.00 -0.39 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.10 3doz s PHE 12 N 1.40 2.61 0.57 1.67 0.40 -0.61 -4.98 117.98 119.04 3doz s PHE 12 Ca -0.00 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.77 3doz s PHE 12 Cb -0.16 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.75 3doz s PHE 12 CO -0.09 -0.13 0.79 -0.06 0.70 0.00 0.00 175.22 176.44 3doz s PHE 13 N -0.14 2.50 0.32 0.36 0.40 -1.26 -0.67 117.98 119.50 3doz s PHE 13 Ca -0.03 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 3doz s PHE 13 Cb -0.14 -2.72 0.93 0.00 0.51 0.00 0.00 43.02 41.60 3doz s PHE 13 CO 0.04 -1.00 1.59 0.97 0.70 0.00 0.00 175.22 177.51 3doz h ILE 14 N 0.03 0.07 -0.68 0.64 6.09 -1.88 0.46 117.51 122.23 3doz h ILE 14 Ca -0.40 -0.02 0.01 0.00 -1.37 0.00 0.00 64.86 63.08 3doz h ILE 14 Cb 1.29 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.56 3doz h ILE 14 CO 0.48 0.01 0.45 -0.33 -3.07 0.00 0.00 178.15 175.69 3doz h GLU 15 N 0.05 0.89 -0.61 2.19 3.07 -1.94 0.21 114.58 118.45 3doz h GLU 15 Ca 0.67 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.42 3doz h GLU 15 Cb 1.51 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 3doz h GLU 15 CO -0.82 0.59 0.17 0.45 -1.40 0.00 0.00 179.01 178.00 3doz h HIS 16 N 0.92 0.99 -0.64 4.33 3.86 -1.29 -2.57 115.15 120.76 3doz h HIS 16 Ca 0.25 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 3doz h HIS 16 Cb -0.10 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.05 3doz h HIS 16 CO -0.03 0.83 0.40 0.82 0.86 0.00 0.00 177.93 180.81 3doz h ILE 17 N 0.87 1.09 -0.05 2.45 2.04 -0.69 -1.71 117.51 121.51 3doz h ILE 17 Ca 0.19 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3doz h ILE 17 Cb 0.31 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3doz h ILE 17 CO -0.00 0.14 0.06 -0.07 0.00 0.00 0.00 178.15 178.28 3doz h LEU 18 N 0.78 0.00 0.00 1.44 3.38 -0.58 -0.07 115.31 120.26 3doz h LEU 18 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3doz h LEU 18 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3doz h LEU 18 CO -0.10 0.00 -0.66 1.56 0.09 0.00 0.00 178.44 179.33 3doz h GLN 19 N 0.00 0.00 0.01 1.13 4.20 -1.07 -3.39 115.11 115.99 3doz h GLN 19 Ca 0.02 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.33 3doz h GLN 19 Cb 0.15 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 3doz h GLN 19 CO -0.00 0.00 -2.25 -0.89 -0.67 0.00 0.00 178.83 175.02 3doz n ILE 20 N -2.46 1.54 -3.26 2.54 2.08 -0.46 -4.48 119.36 114.86 3doz n ILE 20 Ca 0.02 -0.34 -0.39 0.00 0.56 0.00 0.00 62.75 62.60 3doz n ILE 20 Cb 0.49 -1.85 -0.06 0.00 -0.75 0.00 0.00 39.64 37.47 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 -7.45 4.52 0.00 1.39 1.43 -0.17 -4.89 118.68 113.52 3doz s LEU 21 Ca -0.36 1.28 0.28 0.00 -1.03 0.00 0.00 54.13 54.31 3doz s LEU 21 Cb 0.12 -2.94 1.09 0.00 0.03 0.00 0.00 46.19 44.48 3doz s LEU 21 CO 0.54 0.26 1.82 -0.81 0.23 0.00 0.00 176.35 178.39 3doz n PRO 22 N 1.66 0.01 -1.97 1.29 -0.04 -1.26 -4.72 135.00 129.98 3doz n PRO 22 Ca -0.10 -0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 3doz n PRO 22 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3doz n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3doz s HIS 23 N -2.99 2.85 0.33 0.54 3.76 -1.26 -5.04 115.29 113.48 3doz s HIS 23 Ca 0.14 1.25 0.04 0.00 -0.15 0.00 0.00 55.06 56.34 3doz s HIS 23 Cb 0.19 -3.85 -0.03 0.00 1.11 0.00 0.00 32.58 30.00 3doz s HIS 23 CO 0.56 -2.46 0.17 1.03 -0.85 0.00 0.00 174.74 173.20 3doz s ARG 24 N -1.71 1.69 0.26 1.40 1.81 -1.26 -4.60 118.95 116.54 3doz s ARG 24 Ca 0.52 -1.98 -0.31 0.00 -1.72 0.00 0.00 55.73 52.24 3doz s ARG 24 Cb -0.43 -0.14 -0.13 0.00 -0.45 0.00 0.00 34.95 33.80 3doz s ARG 24 CO 0.56 -0.49 1.40 0.98 -0.68 0.00 0.00 175.30 177.07 3doz n TYR 25 N -0.66 2.22 -1.96 -0.53 9.36 -1.26 0.70 117.16 125.03 3doz n TYR 25 Ca 0.01 0.44 -0.36 0.00 3.32 0.00 0.00 57.90 61.31 3doz n TYR 25 Cb 0.64 -2.46 0.04 0.00 -0.63 0.00 0.00 39.34 36.93 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 1.80 2.93 0.00 2.98 -0.04 -1.26 -4.93 135.00 136.49 3doz n PRO 26 Ca 0.10 -3.73 0.00 0.00 -0.04 0.00 0.00 63.50 59.83 3doz n PRO 26 Cb 0.32 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 -0.59 0.35 -3.03 0.54 2.81 0.22 -4.94 117.12 112.48 3doz n MET 27 Ca 0.52 -0.64 -0.44 0.00 -1.81 0.00 0.00 57.70 55.33 3doz n MET 27 Cb 0.42 -0.82 -0.04 0.00 -0.71 0.00 0.00 33.22 32.07 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 -0.25 5.01 -0.52 4.03 2.96 -1.04 -4.70 118.68 124.18 3doz s LEU 28 Ca 0.00 -1.23 0.02 0.00 -0.22 0.00 0.00 54.13 52.70 3doz s LEU 28 Cb 0.00 -2.36 0.52 0.00 0.50 0.00 0.00 46.19 44.85 3doz s LEU 28 CO 0.00 -1.20 1.84 0.18 -1.32 0.00 0.00 176.35 175.85 3doz n LEU 29 N 6.78 6.68 -3.78 -0.68 4.77 -1.26 -4.85 117.00 124.66 3doz n LEU 29 Ca -0.07 -4.08 -0.26 0.00 -0.03 0.00 0.00 56.01 51.57 3doz n LEU 29 Cb 0.44 -0.83 -0.17 0.00 -2.33 0.00 0.00 43.42 40.53 3doz n LEU 29 CO 0.60 1.39 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.98 3doz s VAL 30 N -4.16 0.59 -0.05 4.08 1.01 -1.26 -4.58 120.40 116.03 3doz s VAL 30 Ca 0.59 -0.33 0.13 0.00 0.00 0.00 0.00 61.98 62.36 3doz s VAL 30 Cb 0.48 -0.91 -0.21 0.00 0.00 0.00 0.00 36.38 35.74 3doz s VAL 30 CO 0.03 0.02 0.73 0.44 0.00 0.00 0.00 175.10 176.32 3doz h ASP 31 N 8.25 0.00 -3.52 3.32 3.32 -1.36 -3.47 116.42 122.96 3doz h ASP 31 Ca -0.19 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.88 3doz h ASP 31 Cb 1.12 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.43 3doz h ASP 31 CO 0.32 0.92 0.34 -0.60 -1.72 0.00 0.00 179.24 178.51 3doz s ARG 32 N -2.66 0.63 -0.35 3.56 3.52 -0.93 -2.88 118.95 119.83 3doz s ARG 32 Ca -0.04 0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 56.13 3doz s ARG 32 Cb 0.08 0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3doz s ARG 32 CO 0.82 -0.08 0.30 0.42 -0.81 0.00 0.00 175.30 175.95 3doz s ILE 33 N 0.22 5.23 0.02 4.11 -1.09 0.16 -0.98 121.20 128.86 3doz s ILE 33 Ca 0.02 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 3doz s ILE 33 Cb -0.05 -3.79 -0.27 0.00 -1.58 0.00 0.00 42.46 36.78 3doz s ILE 33 CO -0.03 -0.08 0.91 0.71 -1.23 0.00 0.00 174.94 175.21 3doz h THR 34 N 5.53 1.21 -2.76 2.92 1.35 -1.21 -1.63 112.91 118.32 3doz h THR 34 Ca -0.30 -2.87 -0.10 0.00 -0.55 0.00 0.00 66.41 62.58 3doz h THR 34 Cb 1.15 2.75 -0.20 0.00 -1.73 0.00 0.00 68.15 70.12 3doz h THR 34 CO 0.67 0.81 -0.16 -1.83 -0.25 0.00 0.00 175.52 174.76 3doz s GLU 35 N -2.63 0.75 -0.05 4.72 -1.05 -1.03 -4.44 118.70 114.97 3doz s GLU 35 Ca -0.07 -0.03 -0.14 0.00 -0.15 0.00 0.00 54.97 54.58 3doz s GLU 35 Cb 0.07 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3doz s GLU 35 CO 0.85 -0.21 0.33 -1.17 0.95 0.00 0.00 175.26 176.01 3doz s LEU 36 N -1.19 0.75 -0.18 1.83 1.98 -1.17 -1.52 118.68 119.18 3doz s LEU 36 Ca -0.12 0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 51.37 3doz s LEU 36 Cb -0.04 1.28 0.09 0.00 0.66 0.00 0.00 46.19 48.18 3doz s LEU 36 CO 0.05 -0.35 0.30 -1.10 -1.89 0.00 0.00 176.35 173.37 3doz s GLN 37 N -0.85 0.23 0.15 1.98 -1.52 -0.27 -4.87 119.66 114.51 3doz s GLN 37 Ca -0.09 0.62 -0.34 0.00 -1.95 0.00 0.00 55.36 53.60 3doz s GLN 37 Cb -0.04 -0.35 -0.16 0.00 -0.22 0.00 0.00 33.01 32.24 3doz s GLN 37 CO 0.03 -0.44 1.17 0.00 -0.25 0.00 0.00 175.29 175.80 3doz n ALA 38 N 5.35 -1.00 -0.74 6.09 0.00 -1.26 -1.11 120.51 127.84 3doz n ALA 38 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3doz n ALA 38 Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 2.07 -2.53 0.00 0.00 4.13 -1.26 -4.74 115.26 112.92 3doz n ASN 39 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 3doz n ASN 39 Cb 0.23 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 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 -0.81 0.00 -4.06 3.52 1.13 -0.26 -4.63 117.38 112.26 3doz n GLN 40 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 3doz n GLN 40 Cb 0.20 -0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.48 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 -0.13 1.41 -0.01 -1.09 -2.85 -0.93 -0.61 119.74 115.53 3doz s LYS 41 Ca 0.00 -1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 53.49 3doz s LYS 41 Cb 0.00 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 3doz s LYS 41 CO 0.00 -0.55 0.22 -1.50 0.10 0.00 0.00 175.35 173.63 3doz s ILE 42 N -4.06 0.07 -0.06 3.79 2.07 -0.79 -1.11 121.20 121.11 3doz s ILE 42 Ca 0.28 -0.55 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3doz s ILE 42 Cb 0.02 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3doz s ILE 42 CO 0.09 -0.30 0.02 -0.69 -1.91 0.00 0.00 174.94 172.16 3doz s VAL 43 N -1.26 0.18 0.20 4.00 1.01 -0.58 -2.10 120.40 121.84 3doz s VAL 43 Ca -0.13 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3doz s VAL 43 Cb -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3doz s VAL 43 CO 0.03 0.22 0.20 0.00 0.00 0.00 0.00 175.10 175.55 3doz s ALA 44 N 1.96 0.74 0.09 5.51 0.00 -0.57 -0.79 121.76 128.71 3doz s ALA 44 Ca 0.04 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 3doz s ALA 44 Cb -0.12 1.20 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3doz s ALA 44 CO -0.04 -0.63 0.25 1.52 0.00 0.00 0.00 175.76 176.86 3doz s TYR 45 N -4.10 0.04 -0.05 0.00 1.13 -0.15 0.21 117.35 114.43 3doz s TYR 45 Ca 0.32 -0.41 0.04 0.00 -1.41 0.00 0.00 57.07 55.60 3doz s TYR 45 Cb 0.05 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.94 3doz s TYR 45 CO 0.09 -0.58 -0.16 0.21 -2.51 0.00 0.00 175.55 172.60 3doz s LYS 46 N -3.70 1.80 0.22 -3.49 2.20 -0.12 -0.92 119.74 115.73 3doz s LYS 46 Ca 0.03 -0.57 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 3doz s LYS 46 Cb 0.03 -1.53 -0.08 0.00 -1.51 0.00 0.00 37.83 34.74 3doz s LYS 46 CO -0.10 0.19 0.75 -0.80 -0.36 0.00 0.00 175.35 175.03 3doz s ASN 47 N 0.18 7.14 -0.18 1.43 0.01 -1.26 -0.83 114.94 121.43 3doz s ASN 47 Ca -0.07 1.50 -0.02 0.00 -0.71 0.00 0.00 52.86 53.56 3doz s ASN 47 Cb -0.13 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 3doz s ASN 47 CO 0.03 0.06 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.95 3doz s ILE 48 N -1.46 3.13 0.14 0.60 -1.09 -0.55 -4.92 121.20 117.05 3doz s ILE 48 Ca 0.42 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 3doz s ILE 48 Cb -0.18 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 3doz s ILE 48 CO 0.22 0.47 -0.08 0.28 -1.23 0.00 0.00 174.94 174.60 3doz s THR 49 N 1.05 1.02 0.10 2.92 -1.32 -1.26 0.61 115.64 118.77 3doz s THR 49 Ca -0.00 -2.02 0.32 0.00 -1.21 0.00 0.00 61.69 58.77 3doz s THR 49 Cb -0.15 -1.83 0.36 0.00 -1.51 0.00 0.00 72.50 69.38 3doz s THR 49 CO -0.01 -0.76 1.95 0.15 -2.21 0.00 0.00 174.62 173.74 3doz h PHE 50 N 2.82 0.00 0.00 9.09 3.57 -1.96 -3.29 116.94 127.17 3doz h PHE 50 Ca -0.36 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 3doz h PHE 50 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3doz h PHE 50 CO 0.63 0.04 -0.01 -1.71 -2.23 0.00 0.00 178.31 175.03 3doz n ASN 51 N -3.15 4.39 -4.16 0.41 4.05 -1.26 -4.77 115.26 110.76 3doz n ASN 51 Ca 0.01 -2.16 -0.31 0.00 0.45 0.00 0.00 54.58 52.57 3doz n ASN 51 Cb 0.33 -0.94 -0.17 0.00 1.23 0.00 0.00 39.78 40.23 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 0.40 2.76 0.29 1.20 2.02 -1.24 -5.02 118.70 119.11 3doz s GLU 52 Ca 0.02 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.27 3doz s GLU 52 Cb 0.01 -2.15 0.73 0.00 0.10 0.00 0.00 34.13 32.82 3doz s GLU 52 CO 0.00 0.09 1.66 0.22 0.02 0.00 0.00 175.26 177.25 3doz h ASP 53 N 6.96 0.09 -1.15 -0.19 -0.00 -1.95 -0.92 116.42 119.27 3doz h ASP 53 Ca -0.25 0.19 0.33 0.00 -0.00 0.00 0.00 57.03 57.30 3doz h ASP 53 Cb 1.21 0.23 -0.06 0.00 -0.00 0.00 0.00 39.33 40.72 3doz h ASP 53 CO 0.49 -0.13 0.81 1.62 -0.00 0.00 0.00 179.24 182.04 3doz h VAL 54 N 0.25 0.43 0.00 2.25 3.04 -1.95 0.22 116.25 120.49 3doz h VAL 54 Ca 0.56 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.23 3doz h VAL 54 Cb 1.13 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3doz h VAL 54 CO -0.63 0.01 0.00 -0.26 -1.01 0.00 0.00 177.57 175.69 3doz h PHE 55 N 0.07 0.00 -0.19 3.17 0.05 -1.45 -2.84 116.94 115.75 3doz h PHE 55 Ca 0.57 0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.41 3doz h PHE 55 Cb 2.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 40.06 3doz h PHE 55 CO -0.00 0.00 0.15 -0.91 -0.18 0.00 0.00 178.31 177.37 3doz h ASN 56 N 0.00 0.00 0.00 2.17 2.35 -1.11 -2.96 115.58 116.03 3doz h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3doz h ASN 56 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3doz h ASN 56 CO 0.00 0.00 -0.09 0.61 -1.65 0.00 0.00 177.43 176.30 3doz n GLY 57 N -1.52 2.10 2.35 2.83 0.00 -1.11 -4.15 105.19 105.69 3doz n GLY 57 Ca 0.01 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.63 -1.07 -4.20 1.61 -0.00 -1.09 -4.59 115.22 105.25 3doz n HIS 58 Ca 0.05 -3.13 -0.12 0.00 0.46 0.00 0.00 57.72 54.98 3doz n HIS 58 Cb 0.51 0.20 -0.10 0.00 -0.12 0.00 0.00 29.99 30.48 3doz n HIS 58 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 3doz s PHE 59 N -0.95 1.05 0.11 1.57 0.08 0.37 -1.01 117.98 119.20 3doz s PHE 59 Ca 0.34 -0.85 -0.35 0.00 0.12 0.00 0.00 56.93 56.20 3doz s PHE 59 Cb 0.23 -0.57 -0.15 0.00 -0.57 0.00 0.00 43.02 41.96 3doz s PHE 59 CO -0.13 -0.05 1.52 -2.30 -0.10 0.00 0.00 175.22 174.16 3doz n PRO 60 N -0.11 1.77 -0.78 0.24 -0.02 -1.26 -0.44 135.00 134.40 3doz n PRO 60 Ca -0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3doz n PRO 60 Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.34 0.00 -3.22 2.55 5.03 -1.26 -4.89 115.26 116.81 3doz n ASN 61 Ca 0.18 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.56 3doz n ASN 61 Cb 0.25 -0.81 -0.03 0.00 -1.02 0.00 0.00 39.78 38.16 3doz n ASN 61 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3doz s LYS 62 N -0.31 0.79 -0.15 3.52 2.20 0.42 -5.13 119.74 121.08 3doz s LYS 62 Ca 0.00 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 3doz s LYS 62 Cb 0.00 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 3doz s LYS 62 CO 0.00 -1.22 1.58 -2.14 -0.36 0.00 0.00 175.35 173.22 3doz s PRO 63 N 1.53 4.01 -0.16 4.03 0.02 -1.23 -0.48 135.00 142.71 3doz s PRO 63 Ca 0.18 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.05 3doz s PRO 63 Cb -0.07 -3.98 0.05 0.00 0.02 0.00 0.00 34.50 30.52 3doz s PRO 63 CO -0.06 -1.04 0.06 0.42 -0.33 0.00 0.00 177.00 176.06 3doz s ILE 64 N 4.51 0.20 0.16 2.83 1.01 -0.18 -4.63 121.20 125.10 3doz s ILE 64 Ca 0.70 -0.26 -0.33 0.00 0.00 0.00 0.00 60.65 60.76 3doz s ILE 64 Cb -0.28 -0.73 -0.13 0.00 0.01 0.00 0.00 42.46 41.34 3doz s ILE 64 CO 0.27 -0.17 1.66 0.33 0.00 0.00 0.00 174.94 177.03 3doz n PHE 65 N 5.18 2.46 -1.71 3.97 7.35 -0.25 -4.59 117.46 129.86 3doz n PHE 65 Ca -0.08 0.15 -0.43 0.00 -0.76 0.00 0.00 57.45 56.34 3doz n PHE 65 Cb 0.48 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 37.69 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 3.90 2.43 0.04 -7.13 -0.02 -1.26 -4.62 135.00 128.35 3doz n PRO 66 Ca 0.17 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3doz n PRO 66 Cb 0.31 -2.60 0.31 0.00 -0.02 0.00 0.00 33.50 31.50 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 4.68 0.46 2.00 -1.23 0.00 -1.99 -1.85 103.07 105.13 3doz h GLY 67 Ca -0.46 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 3doz h GLY 67 CO 0.79 0.27 -0.22 -0.39 0.00 0.00 0.00 176.54 176.99 3doz h VAL 68 N 0.40 0.70 0.00 4.60 -1.51 -1.99 -1.93 116.25 116.52 3doz h VAL 68 Ca 0.08 -0.94 -0.11 0.00 -1.23 0.00 0.00 66.70 64.50 3doz h VAL 68 Cb 0.40 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 3doz h VAL 68 CO 0.02 0.22 -0.63 -0.07 -1.23 0.00 0.00 177.57 175.88 3doz h LEU 69 N 0.00 0.00 -0.52 4.19 3.38 -1.73 -1.60 115.31 119.04 3doz h LEU 69 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3doz h LEU 69 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3doz h LEU 69 CO 0.03 0.51 0.03 0.40 0.09 0.00 0.00 178.44 179.50 3doz h ILE 70 N 0.00 1.26 -0.32 1.22 2.04 -0.85 -1.75 117.51 119.10 3doz h ILE 70 Ca -0.02 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 3doz h ILE 70 Cb 1.41 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3doz h ILE 70 CO 0.06 0.37 -0.11 0.58 0.00 0.00 0.00 178.15 179.05 3doz h VAL 71 N 0.76 1.23 -0.33 1.67 2.07 -1.32 -2.31 116.25 118.03 3doz h VAL 71 Ca 0.15 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3doz h VAL 71 Cb 0.48 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3doz h VAL 71 CO 0.02 0.34 -0.15 -0.08 0.02 0.00 0.00 177.57 177.72 3doz h GLU 72 N 0.51 0.58 -0.01 1.57 4.57 -0.83 -1.08 114.58 119.89 3doz h GLU 72 Ca 0.09 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 3doz h GLU 72 Cb 0.50 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3doz h GLU 72 CO 0.03 0.70 -0.65 0.78 -1.18 0.00 0.00 179.01 178.70 3doz h GLY 73 N 0.96 0.03 1.64 1.92 0.00 -0.94 -0.58 103.07 106.09 3doz h GLY 73 Ca 0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 3doz h GLY 73 CO 0.04 0.03 -0.73 -0.33 0.00 0.00 0.00 176.54 175.55 3doz h MET 74 N 0.02 0.35 0.03 4.80 2.86 -1.07 -1.57 114.93 120.35 3doz h MET 74 Ca -0.01 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3doz h MET 74 Cb 1.15 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3doz h MET 74 CO 0.09 0.94 -0.01 0.00 1.06 0.00 0.00 176.91 178.98 3doz h ALA 75 N 0.97 -0.04 -0.72 6.32 0.00 -0.88 0.11 119.26 125.03 3doz h ALA 75 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3doz h ALA 75 Cb 1.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3doz h ALA 75 CO 0.12 -0.38 0.42 1.96 0.00 0.00 0.00 179.25 181.37 3doz h GLN 76 N -0.32 0.97 -0.13 0.00 4.20 -1.10 0.69 115.11 119.43 3doz h GLN 76 Ca -0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3doz h GLN 76 Cb 0.30 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3doz h GLN 76 CO 0.01 0.69 0.02 0.77 -0.67 0.00 0.00 178.83 179.65 3doz h SER 77 N 0.99 0.20 -0.19 1.46 0.02 -1.08 0.19 113.55 115.13 3doz h SER 77 Ca 0.26 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3doz h SER 77 Cb -0.02 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3doz h SER 77 CO -0.05 0.41 0.10 1.23 -1.14 0.00 0.00 176.83 177.38 3doz h GLY 78 N -0.01 0.29 0.49 -3.77 0.00 -0.22 -0.29 103.07 99.56 3doz h GLY 78 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.34 3doz h GLY 78 CO 0.00 0.13 0.49 -1.33 0.00 0.00 0.00 176.54 175.84 3doz h GLY 79 N 0.20 1.35 0.98 4.60 0.00 0.52 0.75 103.07 111.48 3doz h GLY 79 Ca 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3doz h GLY 79 CO -0.01 0.12 0.23 -2.75 0.00 0.00 0.00 176.54 174.13 3doz h PHE 80 N 0.81 0.84 0.09 5.60 3.57 -0.50 -1.32 116.94 126.04 3doz h PHE 80 Ca 0.42 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.87 3doz h PHE 80 Cb 0.41 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3doz h PHE 80 CO -0.05 0.68 -0.12 1.25 -2.23 0.00 0.00 178.31 177.84 3doz h LEU 81 N 0.76 -0.33 -0.77 0.59 5.85 0.61 -1.76 115.31 120.27 3doz h LEU 81 Ca 0.19 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3doz h LEU 81 Cb 0.19 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3doz h LEU 81 CO -0.02 -0.18 0.44 0.00 -0.34 0.00 0.00 178.44 178.34 3doz h ALA 82 N 0.63 0.99 0.25 1.25 0.00 -0.79 -1.65 119.26 119.95 3doz h ALA 82 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3doz h ALA 82 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3doz h ALA 82 CO -0.06 0.48 -0.12 0.35 0.00 0.00 0.00 179.25 179.90 3doz h PHE 83 N 1.06 -0.31 0.00 0.00 3.57 -1.05 -3.05 116.94 117.15 3doz h PHE 83 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3doz h PHE 83 Cb 0.00 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 3doz h PHE 83 CO -0.00 -0.01 -0.10 1.79 -2.23 0.00 0.00 178.31 177.76 3doz h THR 84 N -0.62 0.46 -0.49 4.41 1.35 -1.32 -1.10 112.91 115.58 3doz h THR 84 Ca -0.03 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.26 3doz h THR 84 Cb 0.45 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3doz h THR 84 CO 0.06 0.10 0.02 0.28 -0.25 0.00 0.00 175.52 175.73 3doz h SER 85 N 0.00 0.77 0.10 5.36 0.02 -1.19 0.66 113.55 119.27 3doz h SER 85 Ca -0.00 -0.18 -0.31 0.00 -0.84 0.00 0.00 61.79 60.46 3doz h SER 85 Cb 0.33 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3doz h SER 85 CO 0.01 0.82 -1.65 -0.07 -1.14 0.00 0.00 176.83 174.81 3doz h LEU 86 N 0.76 0.34 -0.75 5.07 3.38 -1.39 -3.42 115.31 119.30 3doz h LEU 86 Ca 0.15 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3doz h LEU 86 Cb 0.43 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3doz h LEU 86 CO 0.02 1.71 -0.10 0.79 0.09 0.00 0.00 178.44 180.95 3doz n TRP 87 N -3.82 0.00 -4.70 1.13 8.01 -0.46 -5.12 117.44 112.48 3doz n TRP 87 Ca -0.29 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.90 3doz n TRP 87 Cb 0.93 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.23 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 0.64 -0.19 3.57 6.99 0.00 0.23 -4.18 105.19 112.24 3doz n GLY 88 Ca 0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 2.55 -0.41 1.61 5.36 -1.26 -4.38 117.98 121.44 3doz s PHE 89 Ca 0.00 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 55.05 3doz s PHE 89 Cb 0.00 -4.67 0.14 0.00 -0.34 0.00 0.00 43.02 38.15 3doz s PHE 89 CO 0.00 -1.88 0.23 0.34 -1.46 0.00 0.00 175.22 172.44 3doz s ASP 90 N 4.97 3.47 0.30 6.13 2.15 -1.26 -4.99 116.67 127.44 3doz s ASP 90 Ca 0.50 -2.50 0.04 0.00 0.43 0.00 0.00 52.55 51.01 3doz s ASP 90 Cb 0.01 -0.86 0.64 0.00 -0.30 0.00 0.00 42.92 42.40 3doz s ASP 90 CO -0.05 -0.28 1.83 -0.65 -0.17 0.00 0.00 175.17 175.85 3doz h PRO 91 N 6.82 0.87 0.55 4.34 0.11 -1.90 -1.52 132.00 141.27 3doz h PRO 91 Ca 0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3doz h PRO 91 Cb 0.94 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3doz h PRO 91 CO 0.42 0.58 -0.28 0.93 -0.21 0.00 0.00 178.00 179.44 3doz h GLU 92 N 0.90 -0.73 0.00 1.05 4.39 -1.94 -2.01 114.58 116.24 3doz h GLU 92 Ca 0.51 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.26 3doz h GLU 92 Cb 0.63 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3doz h GLU 92 CO -0.29 -0.49 0.00 0.82 -1.16 0.00 0.00 179.01 177.90 3doz h ILE 93 N -0.76 0.00 0.00 3.13 2.04 -1.92 -2.45 117.51 117.55 3doz h ILE 93 Ca -0.07 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3doz h ILE 93 Cb 0.59 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3doz h ILE 93 CO 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 178.06 3doz h ALA 94 N 2.12 1.44 0.00 1.87 0.00 -0.52 -2.28 119.26 121.89 3doz h ALA 94 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3doz h ALA 94 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3doz h ALA 94 CO 0.00 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3doz n LYS 95 N -3.98 0.22 0.00 0.00 5.02 -0.92 -3.29 118.16 115.21 3doz n LYS 95 Ca -0.02 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 3doz n LYS 95 Cb 0.29 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 3doz n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3doz n THR 96 N -2.16 0.00 -4.51 -0.18 -2.24 -0.87 -4.51 114.28 99.81 3doz n THR 96 Ca 0.06 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 3doz n THR 96 Cb 0.40 1.15 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 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 -2.50 1.34 -0.04 -0.78 -0.14 -1.17 0.51 119.74 116.95 3doz s LYS 97 Ca 0.19 -1.09 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 3doz s LYS 97 Cb 0.18 -1.56 0.01 0.00 -1.68 0.00 0.00 37.83 34.78 3doz s LYS 97 CO 0.58 0.38 -0.11 -1.50 -0.76 0.00 0.00 175.35 173.94 3doz s ILE 98 N -0.96 0.99 -0.37 2.17 1.10 0.98 -4.61 121.20 120.50 3doz s ILE 98 Ca 0.08 -0.44 -0.05 0.00 -0.51 0.00 0.00 60.65 59.74 3doz s ILE 98 Cb -0.09 -0.90 0.08 0.00 0.15 0.00 0.00 42.46 41.69 3doz s ILE 98 CO 0.03 0.31 0.15 -0.69 -2.11 0.00 0.00 174.94 172.63 3doz s VAL 99 N 0.42 3.51 0.27 4.00 1.01 -1.26 -0.48 120.40 127.86 3doz s VAL 99 Ca -0.08 -1.58 0.09 0.00 0.00 0.00 0.00 61.98 60.41 3doz s VAL 99 Cb -0.12 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3doz s VAL 99 CO 0.02 -0.41 0.03 -0.72 0.00 0.00 0.00 175.10 174.02 3doz s TYR 100 N 1.28 2.76 -0.19 5.22 1.13 -1.11 -4.97 117.35 121.47 3doz s TYR 100 Ca 0.02 -0.21 -0.08 0.00 -1.41 0.00 0.00 57.07 55.39 3doz s TYR 100 Cb -0.22 -1.24 -0.04 0.00 -1.10 0.00 0.00 41.96 39.36 3doz s TYR 100 CO -0.01 0.60 0.09 -0.06 -2.51 0.00 0.00 175.55 173.65 3doz s PHE 101 N -2.30 3.31 -0.13 -3.49 0.40 -1.26 -1.85 117.98 112.65 3doz s PHE 101 Ca 0.32 0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.59 3doz s PHE 101 Cb -0.06 -2.11 -0.19 0.00 0.51 0.00 0.00 43.02 41.17 3doz s PHE 101 CO 0.21 0.20 0.55 0.52 0.70 0.00 0.00 175.22 177.40 3doz h MET 102 N 6.68 0.00 -4.53 0.44 2.86 -1.12 -3.49 114.93 115.78 3doz h MET 102 Ca -0.38 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.06 3doz h MET 102 Cb 1.16 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.67 3doz h MET 102 CO 0.72 0.76 -0.69 0.95 1.06 0.00 0.00 176.91 179.71 3doz s THR 103 N -2.08 0.55 -0.03 2.22 -4.23 -1.11 -5.00 115.64 105.96 3doz s THR 103 Ca -0.15 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3doz s THR 103 Cb -0.02 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.24 3doz s THR 103 CO 0.52 -0.90 0.06 -0.63 -0.54 0.00 0.00 174.62 173.13 3doz s ILE 104 N -3.66 -0.04 0.14 2.99 1.01 -1.26 -1.04 121.20 119.34 3doz s ILE 104 Ca 0.10 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.78 3doz s ILE 104 Cb 0.06 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.42 3doz s ILE 104 CO -0.06 0.06 0.30 -0.62 0.00 0.00 0.00 174.94 174.62 3doz s ASP 105 N 0.78 -0.01 -1.46 3.58 3.68 0.17 -4.92 116.67 118.49 3doz s ASP 105 Ca -0.06 -0.69 -0.08 0.00 2.13 0.00 0.00 52.55 53.84 3doz s ASP 105 Cb -0.09 0.43 0.03 0.00 -1.45 0.00 0.00 42.92 41.84 3doz s ASP 105 CO -0.03 -0.86 0.88 0.29 0.13 0.00 0.00 175.17 175.58 3doz n LYS 106 N -0.19 -6.00 -2.63 4.34 4.76 -1.26 -0.47 118.16 116.70 3doz n LYS 106 Ca -0.11 0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 55.73 3doz n LYS 106 Cb 0.63 -5.71 -0.05 0.00 -1.84 0.00 0.00 35.03 28.06 3doz n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3doz s VAL 107 N -3.23 3.86 -0.17 -0.18 1.01 -1.26 -4.02 120.40 116.41 3doz s VAL 107 Ca 0.49 1.64 -0.08 0.00 0.00 0.00 0.00 61.98 64.03 3doz s VAL 107 Cb -0.22 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.27 3doz s VAL 107 CO 0.60 0.22 0.40 -0.75 0.00 0.00 0.00 175.10 175.56 3doz s LYS 108 N -1.88 0.34 -0.20 2.72 2.20 0.28 -4.97 119.74 118.23 3doz s LYS 108 Ca 0.49 0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 56.91 3doz s LYS 108 Cb -0.24 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 3doz s LYS 108 CO 0.31 -0.20 0.04 -0.06 -0.36 0.00 0.00 175.35 175.07 3doz s PHE 109 N 1.92 3.14 -0.14 4.03 0.40 -1.26 -1.62 117.98 124.45 3doz s PHE 109 Ca -0.06 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 3doz s PHE 109 Cb -0.10 -2.10 -0.07 0.00 0.51 0.00 0.00 43.02 41.26 3doz s PHE 109 CO -0.12 -0.07 -0.16 0.54 0.70 0.00 0.00 175.22 176.11 3doz n ARG 110 N 4.01 0.31 -4.45 0.44 1.74 -0.27 -4.99 116.66 113.44 3doz n ARG 110 Ca -0.17 0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 56.81 3doz n ARG 110 Cb 0.52 -1.08 -0.14 0.00 -1.02 0.00 0.00 32.46 30.74 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 -2.26 1.24 0.24 0.55 1.01 -1.03 -5.04 121.20 115.91 3doz s ILE 111 Ca -0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 3doz s ILE 111 Cb 0.07 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 3doz s ILE 111 CO 0.26 0.09 0.94 -2.16 0.00 0.00 0.00 174.94 174.07 3doz s PRO 112 N -1.05 4.86 -0.15 2.79 0.04 -1.26 -4.73 135.00 135.49 3doz s PRO 112 Ca 0.03 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 3doz s PRO 112 Cb -0.08 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3doz s PRO 112 CO 0.01 0.51 0.35 0.08 0.04 0.00 0.00 177.00 177.99 3doz s VAL 113 N -1.16 5.27 0.31 -0.36 1.01 -1.26 -5.03 120.40 119.18 3doz s VAL 113 Ca 0.41 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.09 3doz s VAL 113 Cb -0.26 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 3doz s VAL 113 CO 0.32 0.36 0.06 0.42 0.00 0.00 0.00 175.10 176.26 3doz s THR 114 N 0.56 1.15 0.19 3.92 -4.23 -1.26 -1.09 115.64 114.87 3doz s THR 114 Ca 0.19 -2.01 -0.33 0.00 -1.18 0.00 0.00 61.69 58.37 3doz s THR 114 Cb -0.14 -2.75 -0.14 0.00 1.34 0.00 0.00 72.50 70.81 3doz s THR 114 CO 0.06 -0.02 1.51 -2.65 -0.54 0.00 0.00 174.62 172.97 3doz n PRO 115 N -0.65 2.09 0.00 3.99 -0.02 -1.26 -1.93 135.00 137.21 3doz n PRO 115 Ca -0.02 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3doz n PRO 115 Cb 0.66 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.92 1.59 3.87 -1.23 0.00 0.20 -4.92 105.19 107.62 3doz n GLY 116 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.74 6.48 -0.48 1.61 -0.00 -0.81 -4.91 116.67 116.82 3doz s ASP 117 Ca 0.00 1.19 -0.02 0.00 -0.00 0.00 0.00 52.55 53.71 3doz s ASP 117 Cb 0.00 -2.35 0.13 0.00 -0.00 0.00 0.00 42.92 40.70 3doz s ASP 117 CO 0.00 -0.48 0.27 -0.60 -0.00 0.00 0.00 175.17 174.36 3doz s ARG 118 N -4.09 2.15 -0.70 8.23 3.52 -1.26 -1.48 118.95 125.32 3doz s ARG 118 Ca 0.52 -2.07 -0.27 0.00 -0.13 0.00 0.00 55.73 53.78 3doz s ARG 118 Cb -0.10 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3doz s ARG 118 CO 0.35 -1.10 1.59 -1.17 -0.81 0.00 0.00 175.30 174.15 3doz s LEU 119 N 0.71 3.23 -0.07 -0.88 2.96 -0.01 -4.41 118.68 120.21 3doz s LEU 119 Ca 0.11 -0.12 -0.21 0.00 -0.22 0.00 0.00 54.13 53.69 3doz s LEU 119 Cb -0.22 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 3doz s LEU 119 CO -0.04 -2.12 0.60 -0.70 -1.32 0.00 0.00 176.35 172.77 3doz s GLU 120 N 6.38 4.38 -0.22 1.98 2.12 0.13 -0.95 118.70 132.53 3doz s GLU 120 Ca 0.52 0.70 -0.07 0.00 0.36 0.00 0.00 54.97 56.48 3doz s GLU 120 Cb -0.10 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3doz s GLU 120 CO 0.16 0.15 0.07 0.71 -0.54 0.00 0.00 175.26 175.82 3doz s TYR 121 N 0.55 3.16 -0.33 5.30 4.12 0.57 0.29 117.35 131.00 3doz s TYR 121 Ca 0.32 -0.15 0.03 0.00 0.02 0.00 0.00 57.07 57.29 3doz s TYR 121 Cb -0.17 -2.16 0.09 0.00 -1.52 0.00 0.00 41.96 38.20 3doz s TYR 121 CO 0.15 -0.10 0.03 -1.01 0.02 0.00 0.00 175.55 174.65 3doz s HIS 122 N 1.00 3.67 0.05 2.71 3.76 -0.35 -1.51 115.29 124.62 3doz s HIS 122 Ca 0.04 -2.85 0.07 0.00 -0.15 0.00 0.00 55.06 52.17 3doz s HIS 122 Cb -0.14 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.75 3doz s HIS 122 CO 0.03 -0.94 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.30 3doz s LEU 123 N 0.95 2.64 0.21 0.89 2.01 -0.89 -0.69 118.68 123.80 3doz s LEU 123 Ca 0.07 -0.44 0.11 0.00 0.01 0.00 0.00 54.13 53.89 3doz s LEU 123 Cb -0.19 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.43 3doz s LEU 123 CO -0.07 0.24 -0.23 -1.61 1.01 0.00 0.00 176.35 175.70 3doz s GLU 124 N -1.55 1.52 -0.42 1.70 2.02 0.30 -1.89 118.70 120.38 3doz s GLU 124 Ca 0.15 -1.56 -0.20 0.00 0.02 0.00 0.00 54.97 53.38 3doz s GLU 124 Cb -0.11 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.37 3doz s GLU 124 CO 0.06 0.37 0.61 0.08 0.02 0.00 0.00 175.26 176.40 3doz s VAL 125 N -1.88 4.88 -0.14 2.63 1.01 0.22 -1.48 120.40 125.65 3doz s VAL 125 Ca 0.22 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 3doz s VAL 125 Cb -0.07 -4.15 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 3doz s VAL 125 CO 0.10 -0.51 0.52 -0.07 0.00 0.00 0.00 175.10 175.14 3doz h LEU 126 N 9.54 0.00 -7.53 3.92 3.38 -0.81 -3.47 115.31 120.33 3doz h LEU 126 Ca -0.26 -0.70 -0.09 0.00 0.09 0.00 0.00 57.88 56.92 3doz h LEU 126 Cb 1.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 3doz h LEU 126 CO 0.86 0.91 -0.23 -0.54 0.09 0.00 0.00 178.44 179.54 3doz s LYS 127 N -2.07 0.82 -0.28 1.13 1.02 -0.90 -5.02 119.74 114.44 3doz s LYS 127 Ca -0.15 -0.48 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 3doz s LYS 127 Cb -0.02 0.36 0.08 0.00 -0.52 0.00 0.00 37.83 37.73 3doz s LYS 127 CO 0.51 -0.26 0.71 -3.38 -0.92 0.00 0.00 175.35 172.00 3doz s HIS 128 N -2.50 -0.92 -0.16 3.18 -3.43 -1.26 0.07 115.29 110.27 3doz s HIS 128 Ca -0.05 2.02 -0.04 0.00 -0.80 0.00 0.00 55.06 56.19 3doz s HIS 128 Cb -0.01 0.45 0.07 0.00 -1.43 0.00 0.00 32.58 31.67 3doz s HIS 128 CO -0.03 -0.45 0.20 0.21 -2.00 0.00 0.00 174.74 172.67 3doz s LYS 129 N 1.00 0.13 7.24 -0.38 2.20 -0.48 -5.02 119.74 124.44 3doz s LYS 129 Ca -0.05 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 3doz s LYS 129 Cb -0.05 -0.83 0.00 0.00 -1.51 0.00 0.00 37.83 35.44 3doz s LYS 129 CO -0.09 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3doz n GLY 130 N 5.32 2.63 0.74 5.54 0.00 -1.26 -2.03 105.19 116.13 3doz n GLY 130 Ca -0.05 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 13.43 1.96 -3.49 1.61 2.81 -1.26 -4.78 117.12 127.40 3doz n MET 131 Ca 0.00 -1.46 -0.42 0.00 -1.81 0.00 0.00 57.70 54.02 3doz n MET 131 Cb 0.00 -1.40 -0.10 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.64 5.24 -0.07 2.02 -1.09 -0.86 -0.44 121.20 124.36 3doz s ILE 132 Ca 0.33 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3doz s ILE 132 Cb 0.18 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 3doz s ILE 132 CO 0.26 -0.19 -0.20 0.26 -1.23 0.00 0.00 174.94 173.83 3doz s TRP 133 N 1.69 2.58 -0.23 3.97 0.52 -0.00 -1.38 118.94 126.10 3doz s TRP 133 Ca 0.05 -0.61 0.01 0.00 0.02 0.00 0.00 56.10 55.57 3doz s TRP 133 Cb -0.18 -1.67 0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3doz s TRP 133 CO 0.10 -0.15 -0.13 -0.65 0.02 0.00 0.00 176.95 176.14 3doz s GLN 134 N -0.13 2.69 0.22 4.98 -0.21 0.11 0.34 119.66 127.66 3doz s GLN 134 Ca -0.03 -1.05 0.11 0.00 0.02 0.00 0.00 55.36 54.41 3doz s GLN 134 Cb -0.14 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 3doz s GLN 134 CO 0.04 -0.39 -0.22 0.14 -2.12 0.00 0.00 175.29 172.74 3doz s VAL 135 N 1.24 2.42 0.17 1.09 -7.23 0.53 -0.06 120.40 118.55 3doz s VAL 135 Ca -0.01 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 57.90 3doz s VAL 135 Cb -0.16 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.60 3doz s VAL 135 CO -0.08 -0.19 0.41 -0.83 -0.31 0.00 0.00 175.10 174.10 3doz s GLY 136 N -2.90 0.06 0.00 2.32 0.00 -0.55 0.06 107.32 106.31 3doz s GLY 136 Ca 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3doz s GLY 136 CO 0.11 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.34 3doz n GLY 137 N -0.26 -0.60 3.25 0.20 0.00 -0.87 0.11 105.19 107.03 3doz n GLY 137 Ca -0.11 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.12 2.61 -4.23 0.14 -2.28 115.64 107.76 3doz s THR 138 Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3doz s THR 138 Cb 0.00 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3doz s THR 138 CO 0.00 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 173.96 3doz s ALA 139 N -4.03 2.70 0.08 3.99 0.00 0.13 -1.21 121.76 123.42 3doz s ALA 139 Ca 0.38 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.49 3doz s ALA 139 Cb 0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 3doz s ALA 139 CO 0.14 0.32 -0.13 -0.65 0.00 0.00 0.00 175.76 175.44 3doz s GLN 140 N 0.09 0.82 -0.04 0.00 -0.21 0.14 -0.57 119.66 119.89 3doz s GLN 140 Ca -0.05 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.30 3doz s GLN 140 Cb -0.14 -0.71 0.03 0.00 1.00 0.00 0.00 33.01 33.19 3doz s GLN 140 CO 0.04 0.14 0.08 0.08 -2.12 0.00 0.00 175.29 173.51 3doz s VAL 141 N -1.65 -0.10 -1.57 1.09 1.01 -0.73 0.19 120.40 118.64 3doz s VAL 141 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 3doz s VAL 141 Cb -0.08 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.24 3doz s VAL 141 CO 0.02 0.12 0.87 0.47 0.00 0.00 0.00 175.10 176.57 3doz n ASP 142 N 4.64 -3.82 -0.01 3.32 8.00 -1.26 -1.33 116.55 126.09 3doz n ASP 142 Ca -0.18 -0.87 -0.00 0.00 0.71 0.00 0.00 54.79 54.45 3doz n ASP 142 Cb 0.50 -3.47 -0.00 0.00 -0.02 0.00 0.00 41.12 38.14 3doz n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3doz n GLY 143 N -1.61 0.28 3.63 0.44 0.00 -1.26 -5.01 105.19 101.66 3doz n GLY 143 Ca 0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.92 2.26 -0.30 1.61 1.02 -0.45 -5.09 119.74 117.88 3doz s LYS 144 Ca 0.00 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.56 3doz s LYS 144 Cb 0.00 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3doz s LYS 144 CO 0.00 0.44 0.76 0.08 -0.92 0.00 0.00 175.35 175.71 3doz s VAL 145 N -1.77 4.82 -0.08 3.17 1.01 -1.26 -1.77 120.40 124.52 3doz s VAL 145 Ca 0.27 1.15 0.21 0.00 0.00 0.00 0.00 61.98 63.61 3doz s VAL 145 Cb -0.09 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 31.90 3doz s VAL 145 CO 0.17 -0.21 0.52 1.33 0.00 0.00 0.00 175.10 176.91 3doz n VAL 146 N 5.49 0.26 -3.59 2.92 0.24 0.26 -4.38 118.33 119.53 3doz n VAL 146 Ca 0.03 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.69 3doz n VAL 146 Cb 0.48 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.72 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 -3.38 -1.54 -0.03 2.33 0.00 -1.09 -1.11 121.76 116.94 3doz s ALA 147 Ca -0.07 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 3doz s ALA 147 Cb 0.12 0.77 0.04 0.00 0.00 0.00 0.00 23.12 24.06 3doz s ALA 147 CO 0.88 -0.86 0.44 -1.83 0.00 0.00 0.00 175.76 174.39 3doz s GLU 148 N -3.64 0.80 0.08 0.00 -1.05 -0.64 0.17 118.70 114.42 3doz s GLU 148 Ca 0.06 -0.02 -0.27 0.00 -0.15 0.00 0.00 54.97 54.59 3doz s GLU 148 Cb -0.02 0.36 0.08 0.00 -0.44 0.00 0.00 34.13 34.11 3doz s GLU 148 CO -0.05 -0.23 0.97 0.00 0.95 0.00 0.00 175.26 176.89 3doz s ALA 149 N -1.25 -1.76 -0.01 -0.84 0.00 -0.97 -0.55 121.76 116.38 3doz s ALA 149 Ca -0.12 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.36 3doz s ALA 149 Cb -0.03 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3doz s ALA 149 CO 0.06 -0.92 -0.14 -1.21 0.00 0.00 0.00 175.76 173.55 3doz s GLU 150 N -3.15 1.14 0.01 0.00 2.02 0.37 -2.04 118.70 117.06 3doz s GLU 150 Ca 0.10 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3doz s GLU 150 Cb -0.01 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.11 3doz s GLU 150 CO -0.02 0.30 -0.03 -0.51 0.02 0.00 0.00 175.26 175.03 3doz s LEU 151 N -0.33 2.13 -0.16 1.80 1.02 0.11 0.41 118.68 123.66 3doz s LEU 151 Ca 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.93 3doz s LEU 151 Cb -0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 46.19 46.14 3doz s LEU 151 CO -0.01 -0.14 -0.15 -0.75 0.02 0.00 0.00 176.35 175.33 3doz s LYS 152 N -0.79 3.22 0.21 1.70 2.20 -0.20 -0.35 119.74 125.73 3doz s LYS 152 Ca -0.07 -0.75 0.10 0.00 -0.36 0.00 0.00 55.97 54.89 3doz s LYS 152 Cb -0.05 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 3doz s LYS 152 CO -0.00 0.00 -0.20 0.00 -0.36 0.00 0.00 175.35 174.79 3doz s ALA 153 N 0.85 2.36 -0.06 3.13 0.00 0.15 -0.48 121.76 127.73 3doz s ALA 153 Ca -0.04 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.28 3doz s ALA 153 Cb -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3doz s ALA 153 CO -0.01 0.27 -0.17 1.41 0.00 0.00 0.00 175.76 177.27 3doz s MET 154 N -3.11 1.92 -0.24 0.00 1.75 -0.77 -0.82 119.30 118.03 3doz s MET 154 Ca 0.22 -0.60 -0.12 0.00 -1.25 0.00 0.00 55.69 53.95 3doz s MET 154 Cb -0.05 -1.61 -0.05 0.00 2.84 0.00 0.00 34.83 35.96 3doz s MET 154 CO 0.10 0.19 0.22 0.42 -0.65 0.00 0.00 175.02 175.30 3doz s ILE 155 N 0.21 5.31 0.39 10.11 1.01 0.41 -2.76 121.20 135.90 3doz s ILE 155 Ca -0.08 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.90 3doz s ILE 155 Cb -0.13 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3doz s ILE 155 CO 0.03 0.30 0.12 0.00 0.00 0.00 0.00 174.94 175.39 3doz s ALA 156 N 1.27 2.81 -0.08 9.38 0.00 0.37 -4.79 121.76 130.71 3doz s ALA 156 Ca 0.10 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 3doz s ALA 156 Cb -0.14 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3doz s ALA 156 CO 0.06 -0.33 0.96 -1.21 0.00 0.00 0.00 175.76 175.24 3doz s GLU 157 N -3.75 4.45 0.00 0.00 0.41 -1.26 -0.02 118.70 118.53 3doz s GLU 157 Ca 0.26 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 3doz s GLU 157 Cb 0.04 -3.52 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 3doz s GLU 157 CO 0.14 -0.22 0.20 -2.13 -0.49 0.00 0.00 175.26 172.77 3doz n ARG 158 N 4.64 0.00 0.00 1.61 0.63 0.18 -4.70 116.66 119.02 3doz n ARG 158 Ca 0.07 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3doz n ARG 158 Cb 0.50 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.68 3doz n ARG 158 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51