#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uep n SER 2 N 0.00 -5.32 -0.00 1.61 2.88 -1.26 -4.85 113.62 106.68 1uep n SER 2 Ca 0.00 0.18 -0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1uep n SER 2 Cb 0.00 -4.54 -0.00 0.00 -0.75 0.00 0.00 64.21 58.92 1uep n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uep n SER 3 N -1.69 4.89 0.00 -3.46 3.41 -1.26 -5.10 113.62 110.41 1uep n SER 3 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1uep n SER 3 Cb 0.66 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1uep n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uep n GLY 4 N 2.76 1.88 0.07 5.00 0.00 -1.26 -5.05 105.19 108.59 1uep n GLY 4 Ca -0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1uep n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uep h SER 5 N 0.00 -0.05 -3.45 1.61 0.02 -1.99 -3.46 113.55 106.23 1uep h SER 5 Ca 0.00 -0.40 -0.17 0.00 -0.84 0.00 0.00 61.79 60.38 1uep h SER 5 Cb 0.00 0.01 -0.28 0.00 0.14 0.00 0.00 62.40 62.27 1uep h SER 5 CO 0.00 0.38 -0.43 -0.55 -1.14 0.00 0.00 176.83 175.09 1uep s SER 6 N -5.57 -0.31 0.33 3.07 0.15 -1.26 -5.03 113.70 105.08 1uep s SER 6 Ca -0.15 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1uep s SER 6 Cb 0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1uep s SER 6 CO 0.65 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1uep n GLY 7 N 3.91 -1.78 3.33 9.45 0.00 -1.26 -5.07 105.19 113.77 1uep n GLY 7 Ca -0.22 0.43 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1uep n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uep s TYR 8 N -1.81 1.80 -0.04 1.61 -0.85 -1.26 0.00 117.35 116.80 1uep s TYR 8 Ca 0.00 -0.48 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1uep s TYR 8 Cb 0.00 -0.89 -0.02 0.00 0.38 0.00 0.00 41.96 41.42 1uep s TYR 8 CO 0.00 0.33 -0.18 -1.59 -1.52 0.00 0.00 175.55 172.59 1uep s LYS 9 N -2.88 2.38 0.40 -3.49 -2.85 -1.17 -4.89 119.74 107.25 1uep s LYS 9 Ca 0.16 -0.77 -0.15 0.00 -1.00 0.00 0.00 55.97 54.21 1uep s LYS 9 Cb -0.05 -2.27 -0.08 0.00 -2.06 0.00 0.00 37.83 33.36 1uep s LYS 9 CO 0.07 0.60 0.83 -1.21 0.10 0.00 0.00 175.35 175.73 1uep s GLU 10 N -0.68 3.96 -0.06 1.78 2.02 -1.26 -1.78 118.70 122.68 1uep s GLU 10 Ca 0.11 0.73 0.01 0.00 0.02 0.00 0.00 54.97 55.84 1uep s GLU 10 Cb -0.10 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.82 1uep s GLU 10 CO 0.00 -0.01 -0.05 -0.51 0.02 0.00 0.00 175.26 174.70 1uep s LEU 11 N -3.49 1.28 0.38 1.80 1.02 0.78 -4.94 118.68 115.50 1uep s LEU 11 Ca 0.55 -0.16 -0.19 0.00 0.02 0.00 0.00 54.13 54.35 1uep s LEU 11 Cb -0.10 -0.53 -0.10 0.00 0.02 0.00 0.00 46.19 45.48 1uep s LEU 11 CO 0.24 -0.06 0.87 -1.81 0.02 0.00 0.00 176.35 175.60 1uep s ASP 12 N 1.06 6.91 -0.21 2.29 1.01 -1.26 -0.75 116.67 125.72 1uep s ASP 12 Ca -0.09 1.55 -0.04 0.00 0.71 0.00 0.00 52.55 54.68 1uep s ASP 12 Cb -0.14 -2.48 0.07 0.00 1.01 0.00 0.00 42.92 41.38 1uep s ASP 12 CO -0.01 -0.28 0.09 -0.69 0.21 0.00 0.00 175.17 174.50 1uep s VAL 13 N -2.06 0.00 0.34 -1.27 1.01 -0.50 -4.93 120.40 113.00 1uep s VAL 13 Ca 0.58 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 1uep s VAL 13 Cb -0.10 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 1uep s VAL 13 CO 0.15 -0.39 1.04 -2.28 0.00 0.00 0.00 175.10 173.62 1uep s HIS 14 N 2.09 3.49 -0.03 5.22 2.46 -1.26 -0.33 115.29 126.92 1uep s HIS 14 Ca 0.04 1.71 0.01 0.00 0.47 0.00 0.00 55.06 57.28 1uep s HIS 14 Cb -0.16 -3.13 0.02 0.00 -0.13 0.00 0.00 32.58 29.18 1uep s HIS 14 CO -0.16 -0.39 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.20 1uep s LEU 15 N -2.07 1.31 0.46 8.88 1.43 -0.16 -4.97 118.68 123.56 1uep s LEU 15 Ca 0.51 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 1uep s LEU 15 Cb -0.25 -0.25 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 1uep s LEU 15 CO 0.31 -0.07 0.90 0.00 0.23 0.00 0.00 176.35 177.72 1uep s ARG 16 N 0.84 3.94 -0.77 1.70 1.70 -1.26 -0.76 118.95 124.34 1uep s ARG 16 Ca -0.09 0.82 -0.06 0.00 -0.47 0.00 0.00 55.73 55.93 1uep s ARG 16 Cb -0.12 -2.24 0.20 0.00 -0.57 0.00 0.00 34.95 32.22 1uep s ARG 16 CO -0.01 -0.14 0.64 0.50 -1.08 0.00 0.00 175.30 175.21 1uep s ARG 17 N -3.81 3.09 0.00 3.89 3.52 -0.28 -4.37 118.95 120.98 1uep s ARG 17 Ca 0.57 -2.74 0.00 0.00 -0.13 0.00 0.00 55.73 53.43 1uep s ARG 17 Cb -0.10 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1uep s ARG 17 CO 0.28 -1.23 0.00 -1.33 -0.81 0.00 0.00 175.30 172.21 1uep n MET 18 N 3.28 0.00 0.07 5.12 2.81 -1.26 -4.79 117.12 122.34 1uep n MET 18 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1uep n MET 18 Cb 0.40 -0.26 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1uep n MET 18 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1uep n GLU 19 N 0.00 0.00 0.00 0.03 0.00 -1.26 -4.98 120.64 114.43 1uep n GLU 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1uep n GLU 19 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.49 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1uep n SER 20 N -3.09 1.47 -2.15 4.31 7.64 -1.26 -5.08 113.62 115.46 1uep n SER 20 Ca 0.00 -0.20 -0.05 0.00 1.01 0.00 0.00 58.87 59.63 1uep n SER 20 Cb 0.00 0.69 0.02 0.00 -1.01 0.00 0.00 64.21 63.91 1uep n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 21 N 1.13 0.08 1.09 0.23 0.00 -1.26 -4.86 105.19 101.59 1uep n GLY 21 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1uep n GLY 21 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uep n PHE 22 N -2.09 0.00 -1.16 1.61 3.72 -1.26 -4.93 117.46 113.35 1uep n PHE 22 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1uep n PHE 22 Cb 0.54 -1.09 -0.11 0.00 -0.94 0.00 0.00 39.48 37.88 1uep n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uep n GLY 23 N 0.11 3.55 3.45 1.37 0.00 -1.26 -4.83 105.19 107.57 1uep n GLY 23 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 1uep n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uep s PHE 24 N 1.24 1.80 0.14 1.61 -0.71 -1.26 -1.00 117.98 119.79 1uep s PHE 24 Ca 0.67 -1.15 -0.01 0.00 -1.04 0.00 0.00 56.93 55.40 1uep s PHE 24 Cb 0.27 -1.14 -0.04 0.00 -1.21 0.00 0.00 43.02 40.90 1uep s PHE 24 CO -0.03 -0.21 0.07 0.50 -1.34 0.00 0.00 175.22 174.21 1uep s ARG 25 N -3.84 0.95 -0.03 1.99 3.52 0.28 -4.82 118.95 117.01 1uep s ARG 25 Ca 0.32 -1.44 -0.01 0.00 -0.13 0.00 0.00 55.73 54.47 1uep s ARG 25 Cb 0.06 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1uep s ARG 25 CO 0.15 -0.28 0.05 0.96 -0.81 0.00 0.00 175.30 175.37 1uep s ILE 26 N -4.05 -0.07 0.25 4.11 -4.36 -1.26 -0.20 121.20 115.62 1uep s ILE 26 Ca 0.25 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.93 1uep s ILE 26 Cb 0.07 -0.11 -0.02 0.00 1.25 0.00 0.00 42.46 43.65 1uep s ILE 26 CO 0.02 0.10 0.20 0.18 0.24 0.00 0.00 174.94 175.69 1uep n LEU 27 N 4.34 0.00 0.00 0.37 4.77 -1.24 -4.69 117.00 120.55 1uep n LEU 27 Ca -0.24 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1uep n LEU 27 Cb 0.50 1.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.80 1uep n LEU 27 CO 0.19 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1uep n GLY 28 N -0.45 0.35 2.71 -0.72 0.00 -1.26 -4.17 105.19 101.65 1uep n GLY 28 Ca 0.05 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1uep n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uep n GLY 29 N 0.00 -0.50 0.10 -0.02 0.00 -0.03 -4.30 105.19 100.43 1uep n GLY 29 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1uep n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uep h ASP 30 N -0.44 0.08 -2.36 1.61 3.58 -1.85 -0.12 116.42 116.93 1uep h ASP 30 Ca -0.41 -0.07 -0.58 0.00 0.42 0.00 0.00 57.03 56.39 1uep h ASP 30 Cb 1.29 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 42.20 1uep h ASP 30 CO 0.47 0.92 -0.69 -1.61 -2.88 0.00 0.00 179.24 175.45 1uep s GLU 31 N -3.07 2.11 -0.89 0.28 2.02 -1.26 -4.90 118.70 112.98 1uep s GLU 31 Ca -0.01 -1.47 -0.24 0.00 0.02 0.00 0.00 54.97 53.27 1uep s GLU 31 Cb 0.11 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 1uep s GLU 31 CO 0.81 0.37 1.84 -1.25 0.02 0.00 0.00 175.26 177.05 1uep s PRO 32 N -3.47 2.75 0.00 0.39 0.04 -1.26 -1.19 135.00 132.26 1uep s PRO 32 Ca 0.30 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1uep s PRO 32 Cb -0.07 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1uep s PRO 32 CO 0.18 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.53 1uep n GLY 33 N 6.73 0.85 3.72 0.56 0.00 -1.02 -4.67 105.19 111.36 1uep n GLY 33 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1uep n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uep s GLN 34 N 0.00 1.57 0.43 1.61 -1.52 -0.33 -4.72 119.66 116.70 1uep s GLN 34 Ca 0.00 1.39 -0.24 0.00 -1.95 0.00 0.00 55.36 54.56 1uep s GLN 34 Cb 0.00 -1.80 -0.08 0.00 -0.22 0.00 0.00 33.01 30.91 1uep s GLN 34 CO 0.00 -2.19 1.17 -1.25 -0.25 0.00 0.00 175.29 172.77 1uep s PRO 35 N -4.74 3.88 -0.46 2.91 0.04 -1.26 -4.27 135.00 131.09 1uep s PRO 35 Ca 0.64 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1uep s PRO 35 Cb -0.20 -2.52 0.12 0.00 0.04 0.00 0.00 34.50 31.93 1uep s PRO 35 CO 0.57 -0.46 0.20 0.42 0.04 0.00 0.00 177.00 177.76 1uep s ILE 36 N -1.48 2.44 -0.10 0.56 1.01 -1.26 -0.85 121.20 121.51 1uep s ILE 36 Ca 0.61 -3.00 -0.06 0.00 0.00 0.00 0.00 60.65 58.19 1uep s ILE 36 Cb -0.30 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1uep s ILE 36 CO 0.37 -0.75 0.13 -0.76 0.00 0.00 0.00 174.94 173.93 1uep s LEU 37 N 0.08 4.31 -0.28 2.97 1.43 -1.26 -0.48 118.68 125.45 1uep s LEU 37 Ca 0.15 0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1uep s LEU 37 Cb -0.24 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 1uep s LEU 37 CO -0.03 0.39 2.23 -0.38 0.23 0.00 0.00 176.35 178.79 1uep n ILE 38 N 1.87 0.27 -0.24 -0.59 2.08 0.96 -3.72 119.36 119.99 1uep n ILE 38 Ca -0.19 -0.41 0.05 0.00 0.56 0.00 0.00 62.75 62.76 1uep n ILE 38 Cb 0.55 -2.26 0.16 0.00 -0.75 0.00 0.00 39.64 37.34 1uep n ILE 38 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1uep h GLY 39 N 14.36 0.92 -2.85 7.39 0.00 -0.86 0.57 103.07 122.61 1uep h GLY 39 Ca -0.35 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.05 1uep h GLY 39 CO 0.99 -0.22 0.33 0.00 0.00 0.00 0.00 176.54 177.64 1uep s ALA 40 N -6.08 -1.61 -0.14 3.60 0.00 -1.15 -4.83 121.76 111.56 1uep s ALA 40 Ca -0.13 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1uep s ALA 40 Cb 0.21 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 1uep s ALA 40 CO 0.75 -0.83 -0.03 0.08 0.00 0.00 0.00 175.76 175.73 1uep s VAL 41 N -3.53 3.98 -0.46 0.00 1.01 -1.26 -0.55 120.40 119.59 1uep s VAL 41 Ca 0.05 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1uep s VAL 41 Cb -0.02 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1uep s VAL 41 CO -0.06 0.51 1.49 -0.63 0.00 0.00 0.00 175.10 176.41 1uep s ILE 42 N 0.12 3.77 0.20 2.22 -1.09 -0.17 -4.95 121.20 121.30 1uep s ILE 42 Ca -0.00 0.74 -0.33 0.00 -2.23 0.00 0.00 60.65 58.83 1uep s ILE 42 Cb -0.13 -4.18 -0.14 0.00 -1.58 0.00 0.00 42.46 36.43 1uep s ILE 42 CO 0.03 -0.85 1.52 0.00 -1.23 0.00 0.00 174.94 174.40 1uep n ALA 43 N 9.52 1.33 -0.29 9.38 0.00 -1.26 -0.97 120.51 138.22 1uep n ALA 43 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1uep n ALA 43 Cb 0.48 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1uep n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1uep n MET 44 N 2.84 0.00 -2.07 0.00 2.81 -1.26 -4.98 117.12 114.45 1uep n MET 44 Ca 0.15 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.75 1uep n MET 44 Cb 0.30 -3.23 0.16 0.00 -0.71 0.00 0.00 33.22 29.74 1uep n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1uep s GLY 45 N -2.00 1.76 0.00 3.03 0.00 -0.14 -4.51 107.32 105.45 1uep s GLY 45 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1uep s GLY 45 CO 0.00 -0.56 0.97 -1.26 0.00 0.00 0.00 173.10 172.25 1uep n SER 46 N -3.50 0.00 -0.11 1.64 2.88 -1.26 -0.94 113.62 112.33 1uep n SER 46 Ca 0.14 0.44 -0.25 0.00 -1.33 0.00 0.00 58.87 57.87 1uep n SER 46 Cb 0.60 -0.44 -0.11 0.00 -0.75 0.00 0.00 64.21 63.50 1uep n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uep n ALA 47 N -1.44 1.13 -0.37 -1.46 0.00 -1.26 -4.12 120.51 113.00 1uep n ALA 47 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 53.44 52.56 1uep n ALA 47 Cb 0.01 -0.15 0.19 0.00 0.00 0.00 0.00 19.45 19.50 1uep n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1uep h ASP 48 N -0.65 1.00 0.89 0.00 3.58 -1.24 -0.31 116.42 119.68 1uep h ASP 48 Ca -0.57 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 56.88 1uep h ASP 48 Cb 1.66 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.52 1uep h ASP 48 CO -0.25 0.60 -0.10 0.08 -2.88 0.00 0.00 179.24 176.69 1uep h ARG 49 N 1.11 0.00 0.00 0.28 0.11 -1.27 -1.72 114.38 112.90 1uep h ARG 49 Ca 0.45 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.49 1uep h ARG 49 Cb 0.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1uep h ARG 49 CO -0.20 0.10 -0.21 0.22 0.10 0.00 0.00 179.97 179.98 1uep h ASP 50 N 0.00 0.00 -5.46 0.08 3.58 -1.22 -3.49 116.42 109.91 1uep h ASP 50 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1uep h ASP 50 Cb 0.57 0.00 0.19 0.00 1.72 0.00 0.00 39.33 41.81 1uep h ASP 50 CO 0.01 0.21 -0.84 0.61 -2.88 0.00 0.00 179.24 176.35 1uep n GLY 51 N 0.69 -1.17 0.00 -0.78 0.00 -0.65 -4.97 105.19 98.32 1uep n GLY 51 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1uep n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep n ARG 52 N -3.20 0.00 -4.08 1.61 1.74 -1.26 -5.11 116.66 106.36 1uep n ARG 52 Ca -0.07 -0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1uep n ARG 52 Cb 0.62 -0.33 -0.11 0.00 -1.02 0.00 0.00 32.46 31.61 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uep s LEU 53 N 0.00 2.28 0.08 0.55 1.43 -1.26 -4.88 118.68 116.88 1uep s LEU 53 Ca 0.00 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1uep s LEU 53 Cb 0.00 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1uep s LEU 53 CO 0.00 -0.22 -0.16 -1.00 0.23 0.00 0.00 176.35 175.20 1uep s HIS 54 N -1.59 1.36 0.13 0.29 3.76 -1.26 -4.93 115.29 113.05 1uep s HIS 54 Ca -0.07 -0.45 -0.35 0.00 -0.15 0.00 0.00 55.06 54.04 1uep s HIS 54 Cb -0.08 -0.76 -0.15 0.00 1.11 0.00 0.00 32.58 32.69 1uep s HIS 54 CO 0.00 0.09 1.44 -2.30 -0.85 0.00 0.00 174.74 173.12 1uep n PRO 55 N 1.25 1.65 -0.82 8.40 -0.02 -1.26 -2.14 135.00 142.06 1uep n PRO 55 Ca -0.21 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1uep n PRO 55 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1uep n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uep n GLY 56 N 2.86 0.73 3.71 -1.23 0.00 0.19 -4.92 105.19 106.53 1uep n GLY 56 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1uep n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uep s ASP 57 N -2.44 6.40 -0.17 1.61 1.01 -0.91 -4.32 116.67 117.85 1uep s ASP 57 Ca 0.00 2.82 -0.29 0.00 0.71 0.00 0.00 52.55 55.79 1uep s ASP 57 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1uep s ASP 57 CO 0.00 -0.99 1.33 -0.70 0.21 0.00 0.00 175.17 175.02 1uep s GLU 58 N 1.90 4.18 0.98 8.23 2.12 -1.25 -0.03 118.70 134.82 1uep s GLU 58 Ca 0.78 1.68 -0.11 0.00 0.36 0.00 0.00 54.97 57.68 1uep s GLU 58 Cb -0.48 -3.82 0.18 0.00 0.26 0.00 0.00 34.13 30.27 1uep s GLU 58 CO 0.34 -0.79 1.09 -0.51 -0.54 0.00 0.00 175.26 174.85 1uep s LEU 59 N 3.73 2.04 0.07 2.70 1.43 0.37 0.03 118.68 129.05 1uep s LEU 59 Ca 0.58 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1uep s LEU 59 Cb -0.23 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1uep s LEU 59 CO 0.18 -3.27 0.00 0.52 0.23 0.00 0.00 176.35 174.01 1uep n VAL 60 N -4.32 0.05 -4.22 -1.59 0.31 0.15 -4.63 118.33 104.08 1uep n VAL 60 Ca 0.07 0.02 -0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1uep n VAL 60 Cb 0.54 -0.64 -0.12 0.00 -0.91 0.00 0.00 33.84 32.70 1uep n VAL 60 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1uep s TYR 61 N -2.00 1.12 -0.14 3.52 2.02 -1.03 -1.07 117.35 119.77 1uep s TYR 61 Ca 0.00 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1uep s TYR 61 Cb 0.00 -0.65 0.05 0.00 -0.40 0.00 0.00 41.96 40.96 1uep s TYR 61 CO 0.00 0.03 0.05 0.08 -1.57 0.00 0.00 175.55 174.13 1uep s VAL 62 N -1.10 0.24 0.00 0.71 1.01 -0.53 -1.34 120.40 119.38 1uep s VAL 62 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1uep s VAL 62 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1uep s VAL 62 CO 0.02 -0.07 0.00 -0.67 0.00 0.00 0.00 175.10 174.38 1uep n ASP 63 N 5.17 -2.91 0.00 3.32 2.03 0.17 -1.54 116.55 122.79 1uep n ASP 63 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1uep n ASP 63 Cb 0.49 -2.83 0.00 0.00 -0.72 0.00 0.00 41.12 38.06 1uep n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uep n GLY 64 N -0.37 0.70 3.46 0.27 0.00 -1.26 -4.89 105.19 103.10 1uep n GLY 64 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1uep n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uep s ILE 65 N -1.15 4.04 -0.25 -0.61 1.09 -0.59 -5.06 121.20 118.67 1uep s ILE 65 Ca 0.00 -0.28 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 1uep s ILE 65 Cb 0.00 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1uep s ILE 65 CO 0.00 0.42 1.52 -2.16 -0.10 0.00 0.00 174.94 174.62 1uep s PRO 66 N 1.01 3.82 0.00 2.79 0.04 -1.26 -1.46 135.00 139.94 1uep s PRO 66 Ca 0.02 1.51 0.23 0.00 0.04 0.00 0.00 61.00 62.81 1uep s PRO 66 Cb -0.14 -3.99 1.11 0.00 0.04 0.00 0.00 34.50 31.51 1uep s PRO 66 CO 0.02 -1.26 1.76 1.33 0.04 0.00 0.00 177.00 178.89 1uep n VAL 67 N 6.38 0.32 -2.23 -0.36 0.24 -0.24 -4.86 118.33 117.59 1uep n VAL 67 Ca 0.18 0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 62.14 1uep n VAL 67 Cb 0.46 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 1uep n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uep s ALA 68 N -2.75 3.55 0.00 2.33 0.00 -1.26 -2.10 121.76 121.53 1uep s ALA 68 Ca 0.18 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1uep s ALA 68 Cb 0.16 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1uep s ALA 68 CO 0.38 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1uep n GLY 69 N 3.44 1.36 0.00 0.00 0.00 -1.26 -4.95 105.19 103.78 1uep n GLY 69 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1uep n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uep n LYS 70 N -2.00 1.67 -4.71 1.61 4.76 -0.89 -3.31 118.16 115.28 1uep n LYS 70 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1uep n LYS 70 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1uep n LYS 70 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1uep s THR 71 N 1.20 1.13 0.12 -0.18 -4.23 -1.26 -2.43 115.64 109.99 1uep s THR 71 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1uep s THR 71 Cb 0.00 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.53 1uep s THR 71 CO 0.00 0.00 1.60 -0.74 -0.54 0.00 0.00 174.62 174.94 1uep h HIS 72 N 1.45 -1.03 -0.63 3.99 -0.00 -1.19 -2.93 115.15 114.81 1uep h HIS 72 Ca -0.43 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.09 1uep h HIS 72 Cb 1.30 0.45 -0.04 0.00 -0.00 0.00 0.00 27.41 29.13 1uep h HIS 72 CO 1.47 -0.46 0.42 -0.09 -0.00 0.00 0.00 177.93 179.28 1uep h ARG 73 N -0.52 0.36 -0.30 5.26 2.43 -1.94 -0.52 114.38 119.15 1uep h ARG 73 Ca 0.06 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1uep h ARG 73 Cb 0.61 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1uep h ARG 73 CO -0.29 0.24 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.35 1uep h TYR 74 N 0.37 -0.31 -0.38 2.20 5.03 -1.91 -1.40 116.97 120.56 1uep h TYR 74 Ca 0.30 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.51 1uep h TYR 74 Cb 0.67 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 1uep h TYR 74 CO -0.00 -0.20 -0.29 0.28 -1.32 0.00 0.00 178.16 176.63 1uep h VAL 75 N -0.08 1.28 -0.97 1.81 2.07 -1.13 -2.54 116.25 116.68 1uep h VAL 75 Ca 0.15 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.32 1uep h VAL 75 Cb 0.31 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1uep h VAL 75 CO -0.35 0.48 0.63 0.40 0.02 0.00 0.00 177.57 178.74 1uep h ILE 76 N 0.69 1.03 -0.45 4.57 1.08 -0.99 0.55 117.51 124.00 1uep h ILE 76 Ca 0.08 -0.37 -0.10 0.00 -0.39 0.00 0.00 64.86 64.08 1uep h ILE 76 Cb 0.83 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1uep h ILE 76 CO 0.07 0.20 -0.13 0.44 -0.69 0.00 0.00 178.15 178.04 1uep h ASP 77 N 1.07 0.82 -0.03 1.72 5.19 -1.00 -2.64 116.42 121.55 1uep h ASP 77 Ca 0.44 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1uep h ASP 77 Cb 0.28 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1uep h ASP 77 CO -0.19 0.96 0.01 -0.07 -3.12 0.00 0.00 179.24 176.84 1uep h LEU 78 N 0.74 0.04 -1.33 1.55 -0.00 -0.74 -3.05 115.31 112.51 1uep h LEU 78 Ca 0.12 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1uep h LEU 78 Cb 0.63 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 1uep h LEU 78 CO 0.04 0.14 0.48 0.24 -0.00 0.00 0.00 178.44 179.35 1uep h MET 79 N -0.08 0.83 0.00 1.13 2.86 -0.89 0.15 114.93 118.93 1uep h MET 79 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1uep h MET 79 Cb 0.12 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1uep h MET 79 CO -0.00 0.55 0.00 0.72 1.06 0.00 0.00 176.91 179.24 1uep n HIS 80 N -4.46 0.73 -0.12 -0.22 8.25 -1.00 -1.23 115.22 117.16 1uep n HIS 80 Ca 0.10 0.34 -0.26 0.00 -0.26 0.00 0.00 57.72 57.63 1uep n HIS 80 Cb 0.15 -1.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.11 1uep n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1uep n HIS 81 N -2.21 0.38 -0.32 4.41 -0.00 0.27 -4.51 115.22 113.24 1uep n HIS 81 Ca 0.00 0.16 0.03 0.00 -0.00 0.00 0.00 57.72 57.91 1uep n HIS 81 Cb 0.12 -1.04 0.18 0.00 -0.00 0.00 0.00 29.99 29.25 1uep n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1uep h ALA 82 N -0.75 1.29 0.00 -1.41 0.00 -0.64 0.71 119.26 118.46 1uep h ALA 82 Ca -0.57 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1uep h ALA 82 Cb 1.54 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1uep h ALA 82 CO -0.33 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.12 1uep h ALA 83 N 1.46 1.17 0.16 0.00 0.00 -1.37 -0.37 119.26 120.32 1uep h ALA 83 Ca 0.42 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1uep h ALA 83 Cb 0.32 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1uep h ALA 83 CO -0.23 0.03 -1.01 0.00 0.00 0.00 0.00 179.25 178.04 1uep h ARG 84 N 0.00 0.35 -0.19 0.00 3.08 -1.11 -3.17 114.38 113.34 1uep h ARG 84 Ca -0.00 -0.59 0.05 0.00 0.07 0.00 0.00 59.98 59.51 1uep h ARG 84 Cb 0.12 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1uep h ARG 84 CO 0.00 1.28 0.30 -0.91 -1.07 0.00 0.00 179.97 179.57 1uep h ASN 85 N -0.26 0.00 0.00 7.04 2.35 -0.65 -3.45 115.58 120.61 1uep h ASN 85 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1uep h ASN 85 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1uep h ASN 85 CO 0.17 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 1uep n GLY 86 N -1.35 0.50 3.83 2.83 0.00 -0.23 -4.98 105.19 105.78 1uep n GLY 86 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1uep n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uep s GLN 87 N -0.74 1.81 0.14 1.61 0.00 -1.21 -1.13 119.66 120.14 1uep s GLN 87 Ca 0.00 -1.10 -0.05 0.00 -0.00 0.00 0.00 55.36 54.22 1uep s GLN 87 Cb 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 33.01 33.54 1uep s GLN 87 CO 0.00 -0.84 0.15 0.54 0.00 0.00 0.00 175.29 175.14 1uep s VAL 88 N -2.95 0.10 -0.05 3.63 0.11 0.06 -4.39 120.40 116.90 1uep s VAL 88 Ca 0.14 -1.65 0.03 0.00 -2.93 0.00 0.00 61.98 57.57 1uep s VAL 88 Cb -0.04 -1.89 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 1uep s VAL 88 CO 0.08 -0.44 -0.12 0.20 -3.33 0.00 0.00 175.10 171.48 1uep s ASN 89 N -3.00 1.68 -0.34 3.54 0.01 -1.26 -0.99 114.94 114.58 1uep s ASN 89 Ca 0.19 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1uep s ASN 89 Cb 0.06 -0.61 0.11 0.00 0.41 0.00 0.00 41.25 41.22 1uep s ASN 89 CO -0.00 0.07 0.13 -0.76 -1.51 0.00 0.00 177.10 175.02 1uep s LEU 90 N 0.38 2.53 -0.31 0.60 1.43 0.55 -0.66 118.68 123.20 1uep s LEU 90 Ca -0.08 -1.92 -0.24 0.00 -1.03 0.00 0.00 54.13 50.85 1uep s LEU 90 Cb -0.13 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1uep s LEU 90 CO 0.02 -0.38 0.84 -0.89 0.23 0.00 0.00 176.35 176.17 1uep s THR 91 N 1.26 4.75 0.42 5.49 2.01 -0.45 -1.40 115.64 127.71 1uep s THR 91 Ca 0.12 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.48 1uep s THR 91 Cb -0.19 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1uep s THR 91 CO -0.17 -0.29 0.45 0.68 -0.69 0.00 0.00 174.62 174.61 1uep s VAL 92 N 3.07 2.78 -0.09 3.82 -7.23 0.07 0.31 120.40 123.13 1uep s VAL 92 Ca 0.35 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 59.12 1uep s VAL 92 Cb -0.14 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.85 1uep s VAL 92 CO 0.13 0.00 0.44 0.00 -0.31 0.00 0.00 175.10 175.36 1uep s ARG 93 N -4.22 0.69 -0.10 4.82 1.70 0.10 -0.16 118.95 121.78 1uep s ARG 93 Ca 0.51 0.24 -0.05 0.00 -0.47 0.00 0.00 55.73 55.95 1uep s ARG 93 Cb -0.06 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1uep s ARG 93 CO 0.30 -0.16 0.25 1.03 -1.08 0.00 0.00 175.30 175.63 1uep s ARG 94 N -0.66 0.21 0.09 3.89 0.52 -0.73 -3.94 118.95 118.33 1uep s ARG 94 Ca -0.08 0.52 -0.33 0.00 -0.52 0.00 0.00 55.73 55.32 1uep s ARG 94 Cb -0.03 -0.11 -0.13 0.00 0.52 0.00 0.00 34.95 35.20 1uep s ARG 94 CO 0.04 -0.16 1.70 1.17 0.02 0.00 0.00 175.30 178.07 1uep n LYS 95 N 4.16 2.29 -2.49 3.54 0.00 -1.26 -3.05 118.16 121.34 1uep n LYS 95 Ca -0.25 0.83 -0.43 0.00 0.00 0.00 0.00 58.31 58.47 1uep n LYS 95 Cb 0.53 -2.64 -0.02 0.00 0.00 0.00 0.00 35.03 32.90 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1uep s VAL 96 N 2.00 4.36 0.07 3.15 1.01 0.10 -4.94 120.40 126.14 1uep s VAL 96 Ca 0.83 1.61 0.02 0.00 0.00 0.00 0.00 61.98 64.44 1uep s VAL 96 Cb -0.64 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1uep s VAL 96 CO 0.41 -0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.42 1uep s LEU 97 N 3.64 2.35 0.12 3.92 2.01 -1.26 -4.84 118.68 124.62 1uep s LEU 97 Ca 0.52 -0.73 -0.22 0.00 0.01 0.00 0.00 54.13 53.72 1uep s LEU 97 Cb -0.18 -0.18 0.06 0.00 0.01 0.00 0.00 46.19 45.89 1uep s LEU 97 CO 0.15 -0.28 0.55 -0.44 1.01 0.00 0.00 176.35 177.33 1uep s SER 98 N -2.15 -0.48 0.00 2.29 0.01 -1.26 -5.16 113.70 106.96 1uep s SER 98 Ca -0.01 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1uep s SER 98 Cb -0.05 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1uep s SER 98 CO -0.01 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1uep n GLY 99 N -0.14 1.58 3.74 3.44 0.00 -1.26 -5.17 105.19 107.38 1uep n GLY 99 Ca -0.17 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1uep n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uep s PRO 100 N 0.00 1.22 0.30 1.61 0.04 -1.26 -4.97 135.00 131.93 1uep s PRO 100 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1uep s PRO 100 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1uep s PRO 100 CO 0.00 -2.21 0.00 0.43 0.04 0.00 0.00 177.00 175.26 1uep n SER 101 N -3.83 -2.52 -4.00 6.66 7.64 -1.26 -5.14 113.62 111.17 1uep n SER 101 Ca 0.06 0.57 -0.08 0.00 1.01 0.00 0.00 58.87 60.43 1uep n SER 101 Cb 0.57 2.51 -0.09 0.00 -1.01 0.00 0.00 64.21 66.18 1uep n SER 101 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uep s SER 102 N -2.30 0.33 0.00 6.43 0.15 -1.26 -5.39 113.70 111.66 1uep s SER 102 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1uep s SER 102 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1uep s SER 102 CO 0.00 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46