#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdy s VAL 15 N 0.00 4.40 0.44 2.52 1.01 -1.26 -5.00 120.40 122.51 3bdy s VAL 15 Ca 0.00 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 3bdy s VAL 15 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3bdy s VAL 15 CO 0.00 0.19 0.97 -0.54 0.00 0.00 0.00 175.10 175.73 3bdy s LYS 16 N 0.61 4.13 0.17 2.72 1.02 -1.26 -4.86 119.74 122.27 3bdy s LYS 16 Ca 0.53 1.19 -0.15 0.00 0.02 0.00 0.00 55.97 57.56 3bdy s LYS 16 Cb -0.25 -2.17 0.11 0.00 -0.52 0.00 0.00 37.83 35.00 3bdy s LYS 16 CO 0.30 -0.13 1.76 0.35 -0.92 0.00 0.00 175.35 176.70 3bdy h PHE 17 N 1.84 0.29 -0.71 3.18 3.57 -1.99 -0.25 116.94 122.87 3bdy h PHE 17 Ca -0.49 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.08 3bdy h PHE 17 Cb 1.19 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3bdy h PHE 17 CO 0.61 0.12 0.47 0.52 -2.23 0.00 0.00 178.31 177.79 3bdy h MET 18 N 0.34 0.78 0.08 1.11 2.86 -1.99 -0.98 114.93 117.12 3bdy h MET 18 Ca 0.20 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3bdy h MET 18 Cb 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3bdy h MET 18 CO -0.19 0.51 -0.04 -0.44 1.06 0.00 0.00 176.91 177.81 3bdy h ASP 19 N 0.80 -0.10 -0.47 1.22 5.19 -1.48 -2.60 116.42 118.99 3bdy h ASP 19 Ca 0.29 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3bdy h ASP 19 Cb 0.15 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3bdy h ASP 19 CO -0.09 0.25 0.14 0.58 -3.12 0.00 0.00 179.24 177.00 3bdy h VAL 20 N -0.45 1.23 -0.58 -1.35 2.07 -0.90 -0.75 116.25 115.51 3bdy h VAL 20 Ca -0.01 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3bdy h VAL 20 Cb 0.39 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3bdy h VAL 20 CO 0.02 0.27 0.27 0.22 0.02 0.00 0.00 177.57 178.38 3bdy h TYR 21 N 0.62 0.49 0.03 1.57 3.20 -1.25 -1.28 116.97 120.35 3bdy h TYR 21 Ca 0.15 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3bdy h TYR 21 Cb 0.27 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3bdy h TYR 21 CO 0.01 0.20 -0.02 0.37 -1.64 0.00 0.00 178.16 177.09 3bdy h GLN 22 N 0.51 -0.04 0.00 1.82 4.15 -1.19 -2.98 115.11 117.37 3bdy h GLN 22 Ca 0.27 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 3bdy h GLN 22 Cb 0.24 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3bdy h GLN 22 CO -0.22 0.36 -0.26 0.00 -1.93 0.00 0.00 178.83 176.78 3bdy h ARG 23 N -0.46 0.00 -0.05 1.69 3.08 -1.04 -2.82 114.38 114.78 3bdy h ARG 23 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bdy h ARG 23 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3bdy h ARG 23 CO 0.01 0.26 0.00 -1.13 -1.07 0.00 0.00 179.97 178.04 3bdy n SER 24 N -3.70 1.87 -4.72 7.04 3.41 -0.49 -4.95 113.62 112.07 3bdy n SER 24 Ca -0.01 -1.64 -0.41 0.00 -0.26 0.00 0.00 58.87 56.55 3bdy n SER 24 Cb 0.37 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 3bdy n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3bdy s TYR 25 N -1.96 3.66 0.00 7.33 6.14 -1.07 -2.21 117.35 129.24 3bdy s TYR 25 Ca 0.35 1.64 0.00 0.00 0.64 0.00 0.00 57.07 59.71 3bdy s TYR 25 Cb 0.20 -3.19 0.00 0.00 0.42 0.00 0.00 41.96 39.40 3bdy s TYR 25 CO 0.32 -0.30 0.00 0.00 0.64 0.00 0.00 175.55 176.21 3bdy s HIS 27 N 0.00 0.06 0.00 0.00 -3.43 -0.25 -4.78 115.29 106.90 3bdy s HIS 27 Ca 0.00 -0.43 -0.30 0.00 -0.80 0.00 0.00 55.06 53.53 3bdy s HIS 27 Cb 0.00 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 3bdy s HIS 27 CO 0.00 -0.96 1.21 -2.14 -2.00 0.00 0.00 174.74 170.86 3bdy s PRO 28 N -3.93 4.39 0.03 -0.38 0.02 -1.26 -1.61 135.00 132.25 3bdy s PRO 28 Ca 0.14 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.92 3bdy s PRO 28 Cb -0.01 -3.46 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 3bdy s PRO 28 CO 0.02 -0.36 -0.06 -1.50 -0.33 0.00 0.00 177.00 174.76 3bdy s ILE 29 N 1.68 0.43 0.08 2.83 2.07 -0.22 -4.90 121.20 123.16 3bdy s ILE 29 Ca 0.58 -0.83 -0.31 0.00 -1.41 0.00 0.00 60.65 58.68 3bdy s ILE 29 Cb -0.27 -0.48 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 3bdy s ILE 29 CO 0.26 -0.28 1.66 -0.70 -1.91 0.00 0.00 174.94 173.97 3bdy s GLU 30 N -1.19 4.19 -0.03 3.50 2.12 -1.26 -1.02 118.70 125.01 3bdy s GLU 30 Ca -0.08 2.35 0.01 0.00 0.36 0.00 0.00 54.97 57.61 3bdy s GLU 30 Cb -0.08 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.77 3bdy s GLU 30 CO 0.00 -0.73 -0.02 0.99 -0.54 0.00 0.00 175.26 174.96 3bdy s THR 31 N 2.54 0.30 -0.50 -1.70 2.01 0.51 -4.94 115.64 113.87 3bdy s THR 31 Ca 0.74 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.53 3bdy s THR 31 Cb -0.40 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 71.78 3bdy s THR 31 CO 0.32 0.17 0.77 -0.76 -0.69 0.00 0.00 174.62 174.43 3bdy s LEU 32 N 0.93 4.46 -0.21 4.42 1.43 -1.26 -0.99 118.68 127.45 3bdy s LEU 32 Ca -0.10 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3bdy s LEU 32 Cb -0.14 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3bdy s LEU 32 CO -0.01 -1.00 0.04 -0.69 0.23 0.00 0.00 176.35 174.92 3bdy s VAL 33 N 3.25 4.28 0.18 -1.59 1.01 -0.37 -4.89 120.40 122.26 3bdy s VAL 33 Ca 0.24 -0.20 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 3bdy s VAL 33 Cb -0.15 -2.95 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 3bdy s VAL 33 CO 0.18 0.40 1.67 -0.62 0.00 0.00 0.00 175.10 176.73 3bdy s ASP 34 N 1.06 6.47 0.33 3.32 2.15 -1.26 -1.26 116.67 127.48 3bdy s ASP 34 Ca 0.03 2.74 0.11 0.00 0.43 0.00 0.00 52.55 55.87 3bdy s ASP 34 Cb -0.14 -2.59 0.58 0.00 -0.30 0.00 0.00 42.92 40.46 3bdy s ASP 34 CO 0.02 -0.91 1.75 0.40 -0.17 0.00 0.00 175.17 176.26 3bdy h ILE 35 N 4.00 1.33 0.00 4.11 2.04 -1.33 -3.07 117.51 124.59 3bdy h ILE 35 Ca -0.43 -1.57 -0.09 0.00 1.00 0.00 0.00 64.86 63.78 3bdy h ILE 35 Cb 1.20 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3bdy h ILE 35 CO 0.94 0.45 -0.40 0.15 0.00 0.00 0.00 178.15 179.28 3bdy h PHE 36 N 0.02 0.00 0.00 1.37 3.57 -1.85 -1.90 116.94 118.15 3bdy h PHE 36 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3bdy h PHE 36 Cb 0.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3bdy h PHE 36 CO 0.00 0.40 -0.42 1.96 -2.23 0.00 0.00 178.31 178.03 3bdy h GLN 37 N 0.00 0.00 0.00 1.11 4.20 -1.93 -2.69 115.11 115.80 3bdy h GLN 37 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bdy h GLN 37 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3bdy h GLN 37 CO 0.05 0.42 -0.02 0.39 -0.67 0.00 0.00 178.83 179.00 3bdy n GLU 38 N -3.50 0.27 -3.28 1.46 -0.58 -0.77 -4.21 120.64 110.03 3bdy n GLU 38 Ca -0.00 0.22 -0.25 0.00 -0.42 0.00 0.00 57.16 56.70 3bdy n GLU 38 Cb 0.55 -1.81 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 3bdy n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3bdy n TYR 39 N -2.28 -0.52 0.26 -0.32 4.02 -0.87 -4.98 117.16 112.47 3bdy n TYR 39 Ca 0.05 -3.47 0.12 0.00 -0.01 0.00 0.00 57.90 54.59 3bdy n TYR 39 Cb 0.43 -0.11 0.72 0.00 -0.02 0.00 0.00 39.34 40.37 3bdy n TYR 39 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3bdy h PRO 40 N 4.67 0.00 0.01 -0.72 0.11 -1.65 -3.20 132.00 131.23 3bdy h PRO 40 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 3bdy h PRO 40 Cb 0.89 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.01 3bdy h PRO 40 CO 0.43 0.11 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.54 3bdy h ASP 41 N 0.00 0.28 -0.19 -2.05 5.19 -1.94 -3.43 116.42 114.29 3bdy h ASP 41 Ca -0.00 -0.81 -0.07 0.00 -0.62 0.00 0.00 57.03 55.53 3bdy h ASP 41 Cb 0.28 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3bdy h ASP 41 CO 0.01 1.06 0.22 -1.61 -3.12 0.00 0.00 179.24 175.81 3bdy s GLU 42 N -2.98 1.41 0.00 3.56 2.02 -1.21 -4.69 118.70 116.82 3bdy s GLU 42 Ca -0.15 -0.47 0.19 0.00 0.02 0.00 0.00 54.97 54.55 3bdy s GLU 42 Cb 0.01 -5.01 0.52 0.00 0.10 0.00 0.00 34.13 29.76 3bdy s GLU 42 CO 0.76 -5.19 1.43 0.44 0.02 0.00 0.00 175.26 172.73 3bdy n ILE 43 N 8.83 0.59 0.05 -1.63 -6.64 -1.26 -4.26 119.36 115.04 3bdy n ILE 43 Ca 0.42 -0.67 -0.15 0.00 -1.77 0.00 0.00 62.75 60.58 3bdy n ILE 43 Cb 0.47 0.51 -0.06 0.00 -1.44 0.00 0.00 39.64 39.12 3bdy n ILE 43 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 3bdy h GLU 44 N 3.34 0.52 -6.44 6.28 4.81 -1.97 -3.47 114.58 117.64 3bdy h GLU 44 Ca 0.00 -0.53 -0.63 0.00 -0.13 0.00 0.00 59.36 58.07 3bdy h GLU 44 Cb 0.75 0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.12 3bdy h GLU 44 CO 0.00 1.17 -0.76 0.71 -0.73 0.00 0.00 179.01 179.39 3bdy s TYR 45 N -3.35 2.44 0.02 0.92 1.51 -1.26 -4.67 117.35 112.97 3bdy s TYR 45 Ca -0.07 -0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3bdy s TYR 45 Cb 0.08 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 3bdy s TYR 45 CO 0.88 0.56 0.25 0.42 -1.11 0.00 0.00 175.55 176.55 3bdy s ILE 46 N -1.90 5.33 -0.06 2.71 1.01 0.46 -4.89 121.20 123.86 3bdy s ILE 46 Ca 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 3bdy s ILE 46 Cb -0.07 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3bdy s ILE 46 CO 0.13 0.30 0.11 -0.36 0.00 0.00 0.00 174.94 175.12 3bdy s PHE 47 N -1.36 3.43 -0.07 3.97 0.40 -1.26 -0.60 117.98 122.49 3bdy s PHE 47 Ca 0.30 0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.95 3bdy s PHE 47 Cb -0.13 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.60 3bdy s PHE 47 CO 0.19 0.62 0.06 0.21 0.70 0.00 0.00 175.22 177.00 3bdy s LYS 48 N -1.38 0.00 0.74 0.44 2.20 0.20 -3.21 119.74 118.73 3bdy s LYS 48 Ca 0.19 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 3bdy s LYS 48 Cb -0.12 -0.79 0.04 0.00 -1.51 0.00 0.00 37.83 35.45 3bdy s LYS 48 CO 0.09 -0.39 1.10 -1.25 -0.36 0.00 0.00 175.35 174.54 3bdy s PRO 49 N 2.15 2.40 0.47 4.03 0.04 -1.26 -0.20 135.00 142.63 3bdy s PRO 49 Ca 0.04 1.23 0.26 0.00 0.04 0.00 0.00 61.00 62.58 3bdy s PRO 49 Cb -0.13 -1.91 0.67 0.00 0.04 0.00 0.00 34.50 33.17 3bdy s PRO 49 CO -0.04 -1.54 1.73 0.66 0.04 0.00 0.00 177.00 177.85 3bdy h SER 50 N -0.81 0.00 -4.23 6.66 4.64 -1.95 -3.45 113.55 114.40 3bdy h SER 50 Ca -0.44 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.50 3bdy h SER 50 Cb 1.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.14 3bdy h SER 50 CO 0.52 0.01 -0.75 0.00 -0.87 0.00 0.00 176.83 175.74 3bdy s VAL 52 N -2.15 1.38 -0.36 0.00 -7.23 -0.39 -4.92 120.40 106.73 3bdy s VAL 52 Ca 0.06 -1.37 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 3bdy s VAL 52 Cb -0.05 -1.28 0.01 0.00 0.56 0.00 0.00 36.38 35.62 3bdy s VAL 52 CO 0.02 -0.12 0.85 -2.16 -0.31 0.00 0.00 175.10 173.38 3bdy s PRO 53 N -1.73 3.81 0.03 4.82 0.04 -1.26 -1.24 135.00 139.47 3bdy s PRO 53 Ca 0.02 0.46 0.07 0.00 0.04 0.00 0.00 61.00 61.59 3bdy s PRO 53 Cb -0.10 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.62 3bdy s PRO 53 CO 0.03 -0.88 -0.21 -0.51 0.04 0.00 0.00 177.00 175.47 3bdy s LEU 54 N 3.26 2.15 -0.32 -3.56 1.43 -0.16 -4.92 118.68 116.57 3bdy s LEU 54 Ca 0.35 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 3bdy s LEU 54 Cb -0.13 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3bdy s LEU 54 CO 0.17 0.18 1.24 -0.04 0.23 0.00 0.00 176.35 178.13 3bdy s MET 55 N -1.07 3.93 0.05 1.70 -1.94 -1.26 -0.36 119.30 120.34 3bdy s MET 55 Ca 0.08 1.16 0.01 0.00 -1.71 0.00 0.00 55.69 55.23 3bdy s MET 55 Cb -0.09 -3.85 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 3bdy s MET 55 CO 0.01 -1.10 -0.06 1.03 -0.01 0.00 0.00 175.02 174.90 3bdy s ARG 56 N 4.08 0.52 0.14 2.03 1.81 -0.19 -0.19 118.95 127.16 3bdy s ARG 56 Ca 0.53 -0.87 -0.31 0.00 -1.72 0.00 0.00 55.73 53.36 3bdy s ARG 56 Cb -0.15 -0.09 -0.09 0.00 -0.45 0.00 0.00 34.95 34.16 3bdy s ARG 56 CO 0.22 -0.01 1.56 0.00 -0.68 0.00 0.00 175.30 176.38 3bdy s GLY 58 N 1.32 1.74 0.00 0.00 0.00 -0.63 -4.90 107.32 104.85 3bdy s GLY 58 Ca 0.70 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3bdy s GLY 58 CO 0.31 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.78 3bdy n GLY 59 N -0.51 -0.74 3.03 0.20 0.00 -1.26 -1.09 105.19 104.81 3bdy n GLY 59 Ca 0.04 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3bdy n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdy n ASN 62 N -1.98 -2.00 -3.67 0.00 3.02 -1.26 -4.98 115.26 104.38 3bdy n ASN 62 Ca -0.02 -0.75 -0.09 0.00 -0.03 0.00 0.00 54.58 53.70 3bdy n ASN 62 Cb 0.46 -4.38 -0.10 0.00 -0.61 0.00 0.00 39.78 35.15 3bdy n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bdy s ASP 63 N -4.21 -0.30 0.34 6.41 -1.08 -1.26 -5.06 116.67 111.51 3bdy s ASP 63 Ca 0.09 0.96 0.12 0.00 -0.52 0.00 0.00 52.55 53.20 3bdy s ASP 63 Cb -0.05 1.18 0.93 0.00 -1.46 0.00 0.00 42.92 43.53 3bdy s ASP 63 CO 0.79 -0.22 1.75 -0.33 0.52 0.00 0.00 175.17 177.68 3bdy h GLU 64 N 7.91 0.54 -0.73 4.34 5.08 -2.05 -2.26 114.58 127.42 3bdy h GLU 64 Ca -0.21 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 57.66 3bdy h GLU 64 Cb 1.13 -0.12 -0.26 0.00 0.50 0.00 0.00 28.75 29.99 3bdy h GLU 64 CO 0.16 0.36 0.14 0.41 -1.00 0.00 0.00 179.01 179.08 3bdy n GLY 65 N -1.37 5.45 3.44 -3.84 0.00 -1.26 -4.97 105.19 102.64 3bdy n GLY 65 Ca 0.26 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 3bdy n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdy s LEU 66 N -3.50 2.47 0.00 0.99 1.43 -0.85 -3.01 118.68 116.21 3bdy s LEU 66 Ca 0.54 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3bdy s LEU 66 Cb 0.45 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 3bdy s LEU 66 CO 0.02 -0.37 0.07 -1.83 0.23 0.00 0.00 176.35 174.46 3bdy s GLU 67 N -3.74 0.34 -0.49 1.70 -1.05 -0.55 -4.81 118.70 110.10 3bdy s GLU 67 Ca 0.31 -0.37 -0.27 0.00 -0.15 0.00 0.00 54.97 54.48 3bdy s GLU 67 Cb 0.04 0.14 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 3bdy s GLU 67 CO 0.13 -0.07 1.06 0.00 0.95 0.00 0.00 175.26 177.33 3bdy s VAL 69 N 4.26 1.13 0.21 0.00 -7.23 -0.77 -4.90 120.40 113.10 3bdy s VAL 69 Ca 0.43 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 3bdy s VAL 69 Cb -0.08 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 3bdy s VAL 69 CO 0.29 -0.50 1.03 -2.16 -0.31 0.00 0.00 175.10 173.45 3bdy s PRO 70 N -2.76 4.70 -0.00 4.82 0.04 -1.26 -1.97 135.00 138.56 3bdy s PRO 70 Ca 0.07 1.63 0.13 0.00 0.04 0.00 0.00 61.00 62.87 3bdy s PRO 70 Cb -0.04 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 3bdy s PRO 70 CO 0.01 0.26 0.48 0.25 0.04 0.00 0.00 177.00 178.04 3bdy n THR 71 N 1.87 0.00 -3.70 1.26 -2.24 -0.66 -4.91 114.28 105.90 3bdy n THR 71 Ca 0.00 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 3bdy n THR 71 Cb 0.46 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 3bdy n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bdy s GLU 72 N -2.34 0.37 0.07 -0.78 2.12 -1.19 -4.95 118.70 111.98 3bdy s GLU 72 Ca 0.03 0.73 0.07 0.00 0.36 0.00 0.00 54.97 56.16 3bdy s GLU 72 Cb 0.09 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 3bdy s GLU 72 CO 0.52 -0.15 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.69 3bdy s GLU 73 N 1.30 1.14 0.05 4.30 2.02 -1.26 -0.30 118.70 125.94 3bdy s GLU 73 Ca -0.09 -0.98 -0.09 0.00 0.02 0.00 0.00 54.97 53.82 3bdy s GLU 73 Cb -0.08 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.88 3bdy s GLU 73 CO -0.11 0.31 0.19 -1.54 0.02 0.00 0.00 175.26 174.13 3bdy s SER 74 N -1.50 0.06 -0.03 -0.19 1.04 -0.56 -4.89 113.70 107.63 3bdy s SER 74 Ca 0.05 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 3bdy s SER 74 Cb -0.09 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3bdy s SER 74 CO 0.03 -0.59 0.11 0.20 0.98 0.00 0.00 173.24 173.96 3bdy s ASN 75 N -2.25 5.90 -0.03 7.02 -0.87 -1.26 0.03 114.94 123.47 3bdy s ASN 75 Ca -0.03 0.24 0.04 0.00 -1.57 0.00 0.00 52.86 51.54 3bdy s ASN 75 Cb 0.00 -1.77 -0.00 0.00 -0.02 0.00 0.00 41.25 39.46 3bdy s ASN 75 CO -0.05 0.30 -0.15 -0.51 -2.57 0.00 0.00 177.10 174.11 3bdy s ILE 76 N -1.17 1.27 -0.15 0.60 2.07 0.37 -4.94 121.20 119.25 3bdy s ILE 76 Ca 0.22 -0.64 -0.05 0.00 -1.41 0.00 0.00 60.65 58.77 3bdy s ILE 76 Cb -0.12 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.34 3bdy s ILE 76 CO 0.12 0.37 0.02 -0.89 -1.91 0.00 0.00 174.94 172.66 3bdy s THR 77 N 0.01 4.46 -0.00 4.00 2.01 -1.26 0.54 115.64 125.40 3bdy s THR 77 Ca -0.02 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.85 3bdy s THR 77 Cb -0.10 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3bdy s THR 77 CO 0.01 0.51 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.30 3bdy s MET 78 N 0.01 0.90 -0.28 4.92 -1.94 0.23 -4.92 119.30 118.21 3bdy s MET 78 Ca 0.04 -0.44 -0.29 0.00 -1.71 0.00 0.00 55.69 53.28 3bdy s MET 78 Cb -0.13 -0.87 -0.00 0.00 2.01 0.00 0.00 34.83 35.84 3bdy s MET 78 CO 0.02 0.23 1.34 -0.65 -0.01 0.00 0.00 175.02 175.95 3bdy s GLN 79 N -0.38 3.92 -0.05 2.03 -0.21 -1.26 -0.70 119.66 123.01 3bdy s GLN 79 Ca 0.04 1.33 0.06 0.00 0.02 0.00 0.00 55.36 56.80 3bdy s GLN 79 Cb -0.05 -3.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.05 3bdy s GLN 79 CO -0.00 -1.12 -0.23 0.42 -2.12 0.00 0.00 175.29 172.24 3bdy s ILE 80 N 4.44 2.27 0.14 1.08 -1.09 0.14 -4.91 121.20 123.26 3bdy s ILE 80 Ca 0.58 -1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 3bdy s ILE 80 Cb -0.18 -1.83 -0.07 0.00 -1.58 0.00 0.00 42.46 38.81 3bdy s ILE 80 CO 0.23 0.58 1.06 -0.32 -1.23 0.00 0.00 174.94 175.26 3bdy s MET 81 N -0.40 4.62 -0.18 2.79 -2.45 0.72 -0.94 119.30 123.45 3bdy s MET 81 Ca 0.04 1.63 0.00 0.00 -1.25 0.00 0.00 55.69 56.10 3bdy s MET 81 Cb -0.12 -3.32 0.04 0.00 1.25 0.00 0.00 34.83 32.68 3bdy s MET 81 CO 0.02 0.10 -0.08 1.03 1.05 0.00 0.00 175.02 177.13 3bdy s ARG 82 N -0.12 1.79 -0.19 4.11 0.52 0.45 -0.63 118.95 124.87 3bdy s ARG 82 Ca 0.49 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3bdy s ARG 82 Cb -0.27 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3bdy s ARG 82 CO 0.33 -0.42 -0.02 0.42 0.02 0.00 0.00 175.30 175.62 3bdy s ILE 83 N 1.50 3.76 -0.57 1.52 1.01 0.23 -1.82 121.20 126.83 3bdy s ILE 83 Ca -0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 3bdy s ILE 83 Cb -0.16 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.68 3bdy s ILE 83 CO -0.08 0.44 0.87 -0.54 0.00 0.00 0.00 174.94 175.64 3bdy s LYS 84 N 0.97 3.22 0.16 2.79 1.02 0.61 -0.41 119.74 128.10 3bdy s LYS 84 Ca 0.01 -0.59 -0.34 0.00 0.02 0.00 0.00 55.97 55.07 3bdy s LYS 84 Cb -0.14 -4.12 -0.15 0.00 -0.52 0.00 0.00 37.83 32.90 3bdy s LYS 84 CO 0.01 -1.53 1.46 -2.30 -0.92 0.00 0.00 175.35 172.07 3bdy n PRO 85 N 7.23 1.81 -0.95 -1.68 -0.02 -1.26 -0.71 135.00 139.42 3bdy n PRO 85 Ca -0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3bdy n PRO 85 Cb 0.46 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3bdy n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3bdy n HIS 86 N 2.76 0.00 0.06 6.00 8.25 -1.26 -4.79 115.22 126.24 3bdy n HIS 86 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3bdy n HIS 86 Cb 0.27 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.52 3bdy n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3bdy n GLN 87 N -1.38 0.00 -3.30 -0.41 6.02 0.11 -5.17 117.38 113.26 3bdy n GLN 87 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3bdy n GLN 87 Cb 0.17 -0.31 0.01 0.00 1.02 0.00 0.00 30.24 31.13 3bdy n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bdy n GLY 88 N 2.67 0.24 3.27 1.08 0.00 -0.72 -5.01 105.19 106.72 3bdy n GLY 88 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3bdy n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bdy s GLN 89 N -2.00 0.77 0.32 1.61 -2.07 -1.26 -0.28 119.66 116.74 3bdy s GLN 89 Ca 0.21 -0.29 -0.06 0.00 -1.82 0.00 0.00 55.36 53.40 3bdy s GLN 89 Cb -0.00 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 3bdy s GLN 89 CO -0.01 -0.23 0.49 -3.38 -1.32 0.00 0.00 175.29 170.83 3bdy s HIS 90 N -1.85 0.84 -0.11 9.60 -3.43 -0.75 -5.00 115.29 114.58 3bdy s HIS 90 Ca -0.10 -1.14 -0.00 0.00 -0.80 0.00 0.00 55.06 53.02 3bdy s HIS 90 Cb -0.03 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 3bdy s HIS 90 CO 0.01 -1.13 -0.10 0.42 -2.00 0.00 0.00 174.74 171.95 3bdy s ILE 91 N -3.23 3.39 -0.00 -5.38 1.01 -1.26 -0.41 121.20 115.31 3bdy s ILE 91 Ca 0.28 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3bdy s ILE 91 Cb -0.01 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3bdy s ILE 91 CO 0.17 0.54 -0.06 -0.83 0.00 0.00 0.00 174.94 174.75 3bdy s GLY 92 N -0.03 0.32 -0.07 6.18 0.00 -0.11 -4.94 107.32 108.66 3bdy s GLY 92 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 3bdy s GLY 92 CO 0.03 -0.24 1.33 -0.54 0.00 0.00 0.00 173.10 173.69 3bdy s GLU 93 N -0.17 4.28 -0.06 2.90 2.02 -1.26 -0.69 118.70 125.71 3bdy s GLU 93 Ca 0.02 1.82 0.05 0.00 0.02 0.00 0.00 54.97 56.88 3bdy s GLU 93 Cb -0.03 -3.67 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 3bdy s GLU 93 CO -0.00 -0.61 -0.24 -1.64 0.02 0.00 0.00 175.26 172.79 3bdy s MET 94 N 2.86 2.52 0.00 1.61 -1.94 0.13 -4.93 119.30 119.55 3bdy s MET 94 Ca 0.60 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 53.56 3bdy s MET 94 Cb -0.27 -2.09 -0.06 0.00 2.01 0.00 0.00 34.83 34.43 3bdy s MET 94 CO 0.22 0.32 0.48 0.45 -0.01 0.00 0.00 175.02 176.48 3bdy s SER 95 N -0.03 6.88 0.06 3.03 0.15 -1.26 -0.60 113.70 121.93 3bdy s SER 95 Ca -0.07 1.04 0.05 0.00 0.70 0.00 0.00 55.95 57.67 3bdy s SER 95 Cb -0.14 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 3bdy s SER 95 CO 0.04 0.25 -0.13 -0.36 1.20 0.00 0.00 173.24 174.24 3bdy s PHE 96 N -0.79 1.14 -0.01 3.44 0.08 0.19 -4.96 117.98 117.07 3bdy s PHE 96 Ca 0.26 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.61 3bdy s PHE 96 Cb -0.17 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 3bdy s PHE 96 CO 0.15 0.04 0.77 -1.17 -0.10 0.00 0.00 175.22 174.91 3bdy s LEU 97 N -1.62 4.38 0.05 -0.37 2.96 -1.26 -0.48 118.68 122.34 3bdy s LEU 97 Ca -0.02 1.37 0.09 0.00 -0.22 0.00 0.00 54.13 55.34 3bdy s LEU 97 Cb -0.10 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 3bdy s LEU 97 CO 0.02 -0.09 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.63 3bdy s GLN 98 N 0.50 1.87 -0.22 1.98 -0.21 0.10 -4.84 119.66 118.83 3bdy s GLN 98 Ca 0.40 -1.09 -0.15 0.00 0.02 0.00 0.00 55.36 54.54 3bdy s GLN 98 Cb -0.19 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3bdy s GLN 98 CO 0.22 0.52 0.38 -1.01 -2.12 0.00 0.00 175.29 173.27 3bdy s HIS 99 N -0.89 3.33 -0.12 0.91 3.76 0.74 -1.50 115.29 121.52 3bdy s HIS 99 Ca 0.13 0.54 0.19 0.00 -0.15 0.00 0.00 55.06 55.78 3bdy s HIS 99 Cb -0.10 -2.53 -0.22 0.00 1.11 0.00 0.00 32.58 30.84 3bdy s HIS 99 CO 0.04 -0.07 0.54 0.09 -0.85 0.00 0.00 174.74 174.48 3bdy n ASN 100 N 4.72 0.34 -3.73 1.40 3.02 0.58 -4.51 115.26 117.09 3bdy n ASN 100 Ca -0.09 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 3bdy n ASN 100 Cb 0.51 1.04 -0.09 0.00 -0.61 0.00 0.00 39.78 40.63 3bdy n ASN 100 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3bdy s LYS 101 N -3.07 0.62 0.04 3.52 2.47 -1.16 -4.96 119.74 117.20 3bdy s LYS 101 Ca -0.06 0.17 0.03 0.00 -1.56 0.00 0.00 55.97 54.55 3bdy s LYS 101 Cb 0.10 0.29 -0.02 0.00 -1.46 0.00 0.00 37.83 36.73 3bdy s LYS 101 CO 0.85 -0.14 -0.09 0.00 0.16 0.00 0.00 175.35 176.13 3bdy s GLU 103 N -1.28 0.78 -0.38 0.00 2.02 -0.83 -4.85 118.70 114.15 3bdy s GLU 103 Ca -0.06 -0.95 -0.25 0.00 0.02 0.00 0.00 54.97 53.73 3bdy s GLU 103 Cb -0.08 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.47 3bdy s GLU 103 CO 0.01 -0.23 0.91 0.00 0.02 0.00 0.00 175.26 175.96 3bdy s ARG 105 N 3.45 2.05 0.47 0.00 1.81 -0.85 -4.92 118.95 120.96 3bdy s ARG 105 Ca 0.37 -1.39 -0.24 0.00 -1.72 0.00 0.00 55.73 52.75 3bdy s ARG 105 Cb -0.12 -2.09 -0.07 0.00 -0.45 0.00 0.00 34.95 32.22 3bdy s ARG 105 CO 0.19 0.40 1.29 -2.14 -0.68 0.00 0.00 175.30 174.36 3bdy s PRO 106 N -3.15 3.61 0.35 3.54 0.02 -1.26 -1.47 135.00 136.63 3bdy s PRO 106 Ca 0.27 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 3bdy s PRO 106 Cb -0.08 -2.48 -0.08 0.00 0.02 0.00 0.00 34.50 31.88 3bdy s PRO 106 CO 0.16 -0.76 0.74 0.21 -0.33 0.00 0.00 177.00 177.02 3bdy s LYS 107 N -2.61 3.92 0.00 5.54 2.20 -1.16 -4.80 119.74 122.83 3bdy s LYS 107 Ca 0.64 0.59 0.23 0.00 -0.36 0.00 0.00 55.97 57.07 3bdy s LYS 107 Cb -0.36 -2.42 1.35 0.00 -1.51 0.00 0.00 37.83 34.89 3bdy s LYS 107 CO 0.45 0.09 1.73 0.36 -0.36 0.00 0.00 175.35 177.62