#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 -1.62 -2.92 1.61 7.64 -1.26 -5.15 113.62 111.92 1uep n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1uep n SER 2 Cb 0.00 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1uep n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uep s SER 3 N -0.95 0.43 0.00 6.43 0.15 -1.26 -5.16 113.70 113.35 1uep s SER 3 Ca 0.00 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.31 1uep s SER 3 Cb 0.00 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1uep s SER 3 CO 0.00 -1.59 0.00 0.61 1.20 0.00 0.00 173.24 173.46 1uep n GLY 4 N -0.56 0.89 0.14 9.45 0.00 -1.26 -4.98 105.19 108.87 1uep n GLY 4 Ca -0.05 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 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 0.51 -2.68 1.61 0.02 -2.03 -3.51 113.55 107.47 1uep h SER 5 Ca 0.00 -0.72 0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1uep h SER 5 Cb 0.00 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 62.28 1uep h SER 5 CO 0.00 1.15 -0.69 -1.20 -1.14 0.00 0.00 176.83 174.95 1uep n SER 6 N -4.28 -5.87 0.00 3.07 7.64 -1.26 -5.05 113.62 107.87 1uep n SER 6 Ca -0.09 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1uep n SER 6 Cb 0.62 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1uep n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 7 N -3.68 1.43 3.76 0.23 0.00 -1.26 -5.10 105.19 100.57 1uep n GLY 7 Ca -0.04 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.45 0.02 1.61 1.13 -1.26 -4.28 117.35 117.03 1uep s TYR 8 Ca 0.00 1.56 0.09 0.00 -1.41 0.00 0.00 57.07 57.31 1uep s TYR 8 Cb 0.00 -3.30 -0.03 0.00 -1.10 0.00 0.00 41.96 37.54 1uep s TYR 8 CO 0.00 -1.97 -0.26 -1.59 -2.51 0.00 0.00 175.55 169.22 1uep s LYS 9 N -3.86 1.92 0.17 -3.49 0.00 -1.20 -4.97 119.74 108.30 1uep s LYS 9 Ca 0.71 -1.05 -0.22 0.00 0.00 0.00 0.00 55.97 55.41 1uep s LYS 9 Cb -0.24 -2.01 -0.08 0.00 0.00 0.00 0.00 37.83 35.50 1uep s LYS 9 CO 0.40 0.53 0.72 -1.21 0.00 0.00 0.00 175.35 175.78 1uep s GLU 10 N -1.06 4.36 0.41 1.78 2.02 -1.26 -2.29 118.70 122.66 1uep s GLU 10 Ca 0.11 0.96 0.08 0.00 0.02 0.00 0.00 54.97 56.14 1uep s GLU 10 Cb -0.10 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1uep s GLU 10 CO 0.01 0.51 0.53 -0.51 0.02 0.00 0.00 175.26 175.82 1uep s LEU 11 N -1.50 3.67 -0.07 1.80 2.01 0.75 -4.96 118.68 120.38 1uep s LEU 11 Ca 0.38 -0.42 0.02 0.00 0.01 0.00 0.00 54.13 54.11 1uep s LEU 11 Cb -0.20 -2.60 0.02 0.00 0.01 0.00 0.00 46.19 43.41 1uep s LEU 11 CO 0.23 -0.70 -0.11 1.51 1.01 0.00 0.00 176.35 178.28 1uep s ASP 12 N -4.30 1.85 -0.03 2.29 1.47 -1.26 -3.52 116.67 113.17 1uep s ASP 12 Ca 0.53 -0.30 0.04 0.00 1.18 0.00 0.00 52.55 54.00 1uep s ASP 12 Cb -0.09 -0.83 -0.01 0.00 -0.34 0.00 0.00 42.92 41.65 1uep s ASP 12 CO 0.32 0.01 -0.16 -0.69 0.68 0.00 0.00 175.17 175.33 1uep s VAL 13 N 0.86 1.32 -0.08 2.11 1.01 0.00 -4.99 120.40 120.63 1uep s VAL 13 Ca -0.11 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1uep s VAL 13 Cb -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1uep s VAL 13 CO 0.01 0.38 -0.12 -2.28 0.00 0.00 0.00 175.10 173.09 1uep s HIS 14 N -0.10 1.57 0.13 5.22 5.04 -1.26 -0.34 115.29 125.55 1uep s HIS 14 Ca -0.00 -0.64 0.06 0.00 -1.54 0.00 0.00 55.06 52.94 1uep s HIS 14 Cb -0.09 -1.17 -0.04 0.00 0.04 0.00 0.00 32.58 31.32 1uep s HIS 14 CO 0.01 -0.35 -0.14 -0.51 -2.34 0.00 0.00 174.74 171.40 1uep s LEU 15 N 0.89 2.42 0.35 8.88 1.43 -0.30 -5.01 118.68 127.32 1uep s LEU 15 Ca -0.10 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1uep s LEU 15 Cb -0.15 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 1uep s LEU 15 CO 0.01 -0.14 0.33 0.00 0.23 0.00 0.00 176.35 176.78 1uep s ARG 16 N -2.75 2.75 -0.42 1.70 1.70 -1.26 -1.01 118.95 119.66 1uep s ARG 16 Ca 0.10 -1.29 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 1uep s ARG 16 Cb -0.05 -2.52 0.12 0.00 -0.57 0.00 0.00 34.95 31.94 1uep s ARG 16 CO 0.03 0.04 0.19 0.50 -1.08 0.00 0.00 175.30 174.98 1uep s ARG 17 N -4.05 1.43 0.23 3.89 3.00 0.30 -3.16 118.95 120.60 1uep s ARG 17 Ca 0.43 -2.02 0.00 0.00 -1.00 0.00 0.00 55.73 53.14 1uep s ARG 17 Cb -0.06 -2.72 0.00 0.00 0.00 0.00 0.00 34.95 32.17 1uep s ARG 17 CO 0.27 -1.08 0.00 -1.33 0.00 0.00 0.00 175.30 173.17 1uep n MET 18 N 3.75 0.00 0.01 5.12 2.81 -1.26 -4.76 117.12 122.79 1uep n MET 18 Ca 0.05 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1uep n MET 18 Cb 0.36 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.87 1uep n MET 18 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1uep h GLU 19 N 0.00 -0.02 0.00 0.03 3.07 -2.00 -3.42 114.58 112.24 1uep h GLU 19 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1uep h GLU 19 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1uep h GLU 19 CO 0.00 -0.01 -1.37 0.43 -1.40 0.00 0.00 179.01 176.66 1uep n SER 20 N -2.07 3.67 -1.62 1.42 7.64 -1.26 -5.08 113.62 116.32 1uep n SER 20 Ca -0.00 -0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.87 1uep n SER 20 Cb 0.01 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 2.73 -2.01 7.00 0.23 0.00 -1.26 -4.99 105.19 106.89 1uep n GLY 21 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.17 -0.11 0.00 1.61 3.72 -1.19 -4.91 117.46 116.41 1uep n PHE 22 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1uep n PHE 22 Cb 0.02 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.00 -0.93 3.33 1.37 0.00 -1.26 -2.66 105.19 105.04 1uep n GLY 23 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.11 -0.01 1.61 -0.12 -1.26 -0.81 117.98 118.49 1uep s PHE 24 Ca 0.00 -1.30 -0.02 0.00 -0.05 0.00 0.00 56.93 55.57 1uep s PHE 24 Cb 0.00 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.01 1uep s PHE 24 CO 0.00 -0.82 0.04 0.50 -0.05 0.00 0.00 175.22 174.89 1uep s ARG 25 N -3.85 0.13 -0.07 1.99 3.52 0.92 -4.92 118.95 116.67 1uep s ARG 25 Ca 0.35 -0.07 0.04 0.00 -0.13 0.00 0.00 55.73 55.92 1uep s ARG 25 Cb 0.04 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1uep s ARG 25 CO 0.15 -0.02 -0.20 0.96 -0.81 0.00 0.00 175.30 175.38 1uep s ILE 26 N -0.31 2.51 0.32 4.11 -4.36 -1.26 -0.31 121.20 121.90 1uep s ILE 26 Ca -0.04 -0.90 -0.02 0.00 -0.26 0.00 0.00 60.65 59.44 1uep s ILE 26 Cb -0.02 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.73 1uep s ILE 26 CO -0.00 0.57 0.45 0.00 0.24 0.00 0.00 174.94 176.20 1uep n LEU 27 N 2.90 0.00 0.00 0.37 -0.00 -1.26 -4.84 117.00 114.17 1uep n LEU 27 Ca -0.17 -2.58 0.00 0.00 -0.00 0.00 0.00 56.01 53.25 1uep n LEU 27 Cb 0.52 2.35 0.00 0.00 -0.00 0.00 0.00 43.42 46.29 1uep n LEU 27 CO 0.26 -0.60 0.00 0.61 -0.00 0.00 0.00 177.39 177.66 1uep n GLY 28 N -0.52 1.09 2.52 1.47 0.00 -1.26 -4.15 105.19 104.34 1uep n GLY 28 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 0.15 -0.02 0.00 -1.13 -4.36 105.19 99.33 1uep n GLY 29 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1uep n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uep n ASP 30 N -1.88 0.86 -4.24 1.61 2.03 -1.26 -0.67 116.55 113.00 1uep n ASP 30 Ca -0.14 -0.67 -0.17 0.00 0.52 0.00 0.00 54.79 54.32 1uep n ASP 30 Cb 0.61 0.22 -0.11 0.00 -0.72 0.00 0.00 41.12 41.12 1uep n ASP 30 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1uep s GLU 31 N -2.71 1.03 -0.93 -0.67 0.41 -1.26 -5.00 118.70 109.58 1uep s GLU 31 Ca 0.18 -1.28 -0.24 0.00 -0.41 0.00 0.00 54.97 53.23 1uep s GLU 31 Cb 0.18 -0.86 0.02 0.00 -1.78 0.00 0.00 34.13 31.69 1uep s GLU 31 CO 0.60 0.16 1.57 -1.25 -0.49 0.00 0.00 175.26 175.85 1uep s PRO 32 N -2.85 3.23 0.00 0.39 0.04 -1.26 -2.14 135.00 132.40 1uep s PRO 32 Ca 0.10 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1uep s PRO 32 Cb -0.04 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1uep s PRO 32 CO 0.03 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1uep n GLY 33 N 6.58 0.47 3.86 0.56 0.00 -0.81 -4.93 105.19 110.92 1uep n GLY 33 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 3.54 0.46 1.61 -1.52 -0.91 -4.64 119.66 118.19 1uep s GLN 34 Ca 0.00 0.80 -0.23 0.00 -1.95 0.00 0.00 55.36 53.99 1uep s GLN 34 Cb 0.00 -2.07 -0.08 0.00 -0.22 0.00 0.00 33.01 30.64 1uep s GLN 34 CO 0.00 -0.62 1.12 -1.25 -0.25 0.00 0.00 175.29 174.30 1uep s PRO 35 N -5.05 3.81 -0.52 2.91 0.04 -1.26 -4.55 135.00 130.38 1uep s PRO 35 Ca 0.56 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1uep s PRO 35 Cb -0.11 -2.37 0.13 0.00 0.04 0.00 0.00 34.50 32.19 1uep s PRO 35 CO 0.52 -0.48 0.28 0.42 0.04 0.00 0.00 177.00 177.78 1uep s ILE 36 N -1.63 2.99 -0.16 0.56 1.01 -1.26 -2.83 121.20 119.88 1uep s ILE 36 Ca 0.64 -2.94 -0.13 0.00 0.00 0.00 0.00 60.65 58.22 1uep s ILE 36 Cb -0.26 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1uep s ILE 36 CO 0.31 -0.79 0.26 -0.76 0.00 0.00 0.00 174.94 173.97 1uep s LEU 37 N 0.10 4.25 -0.28 2.97 1.43 -1.26 -0.04 118.68 125.84 1uep s LEU 37 Ca 0.15 0.47 -0.32 0.00 -1.03 0.00 0.00 54.13 53.40 1uep s LEU 37 Cb -0.23 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1uep s LEU 37 CO -0.03 0.13 2.19 -0.38 0.23 0.00 0.00 176.35 178.49 1uep n ILE 38 N 3.47 0.27 -0.11 -0.59 2.08 0.68 -4.07 119.36 121.09 1uep n ILE 38 Ca -0.13 -0.34 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 1uep n ILE 38 Cb 0.52 -2.03 -0.03 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 13.39 0.71 -5.06 7.39 0.00 -0.99 0.23 103.07 118.74 1uep h GLY 39 Ca -0.34 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 1uep h GLY 39 CO 0.99 0.56 0.04 0.00 0.00 0.00 0.00 176.54 178.13 1uep s ALA 40 N -4.67 -1.59 0.03 3.60 0.00 -1.15 -4.71 121.76 113.27 1uep s ALA 40 Ca -0.13 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1uep s ALA 40 Cb 0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1uep s ALA 40 CO 0.80 -0.30 0.04 0.14 0.00 0.00 0.00 175.76 176.44 1uep s VAL 41 N 0.35 4.39 -0.45 0.00 -7.23 -1.26 -0.06 120.40 116.14 1uep s VAL 41 Ca -0.00 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 1uep s VAL 41 Cb -0.04 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 33.89 1uep s VAL 41 CO 0.01 0.26 0.96 -0.63 -0.31 0.00 0.00 175.10 175.39 1uep s ILE 42 N -1.23 4.44 0.41 -0.62 -1.09 0.01 -4.91 121.20 118.21 1uep s ILE 42 Ca 0.24 0.88 0.15 0.00 -2.23 0.00 0.00 60.65 59.69 1uep s ILE 42 Cb -0.12 -4.45 0.35 0.00 -1.58 0.00 0.00 42.46 36.66 1uep s ILE 42 CO 0.16 -0.83 1.91 0.00 -1.23 0.00 0.00 174.94 174.95 1uep h ALA 43 N 9.02 2.07 -0.49 9.38 0.00 -1.98 -1.37 119.26 135.90 1uep h ALA 43 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1uep h ALA 43 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1uep h ALA 43 CO 1.04 -0.28 0.04 -1.33 0.00 0.00 0.00 179.25 178.72 1uep n MET 44 N -4.49 3.97 -4.25 0.00 2.81 -1.26 -4.50 117.12 109.40 1uep n MET 44 Ca 0.15 -2.52 -0.17 0.00 -1.81 0.00 0.00 57.70 53.35 1uep n MET 44 Cb 0.52 -2.11 -0.09 0.00 -0.71 0.00 0.00 33.22 30.84 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 -0.64 2.01 0.55 3.03 0.00 -0.52 -5.04 107.32 106.72 1uep s GLY 45 Ca 0.44 -1.93 0.34 0.00 0.00 0.00 0.00 44.72 43.56 1uep s GLY 45 CO 0.12 -1.43 2.03 1.76 0.00 0.00 0.00 173.10 175.58 1uep h SER 46 N 2.30 0.00 0.33 1.64 0.02 -1.73 -2.20 113.55 113.91 1uep h SER 46 Ca -0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1uep h SER 46 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uep h SER 46 CO 0.42 0.03 -0.16 0.00 -1.14 0.00 0.00 176.83 175.98 1uep h ALA 47 N 1.97 -0.65 -0.71 3.77 0.00 -1.75 -2.69 119.26 119.21 1uep h ALA 47 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1uep h ALA 47 Cb 0.46 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1uep h ALA 47 CO 0.00 -0.61 0.40 0.22 0.00 0.00 0.00 179.25 179.26 1uep h ASP 48 N -0.75 0.60 1.01 0.00 1.82 -1.58 0.14 116.42 117.66 1uep h ASP 48 Ca -0.05 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1uep h ASP 48 Cb 0.34 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1uep h ASP 48 CO 0.08 0.38 0.00 0.03 -1.61 0.00 0.00 179.24 178.12 1uep h ARG 49 N 0.73 0.00 0.00 0.28 3.08 -1.54 -1.24 114.38 115.70 1uep h ARG 49 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 1uep h ARG 49 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1uep h ARG 49 CO -0.19 0.00 -0.56 0.22 -1.07 0.00 0.00 179.97 178.37 1uep h ASP 50 N 0.00 0.00 0.00 7.04 3.58 -0.66 -3.49 116.42 122.89 1uep h ASP 50 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1uep h ASP 50 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1uep h ASP 50 CO 0.00 0.26 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 1uep n GLY 51 N 1.20 0.64 0.23 -0.78 0.00 -0.47 -4.95 105.19 101.07 1uep n GLY 51 Ca 0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.65 0.39 -2.29 1.61 1.74 -1.26 -5.03 116.66 109.18 1uep n ARG 52 Ca 0.00 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 1uep n ARG 52 Cb 0.00 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 -6.33 3.54 0.06 0.55 1.43 -1.26 -5.09 118.68 111.57 1uep s LEU 53 Ca -0.23 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1uep s LEU 53 Cb 0.07 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 1uep s LEU 53 CO 0.35 -0.65 -0.08 -1.00 0.23 0.00 0.00 176.35 175.21 1uep s HIS 54 N -2.75 0.78 -0.28 0.29 3.76 -1.26 -4.89 115.29 110.94 1uep s HIS 54 Ca 0.58 -0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 1uep s HIS 54 Cb -0.10 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1uep s HIS 54 CO 0.37 -0.10 1.60 -1.25 -0.85 0.00 0.00 174.74 174.51 1uep s PRO 55 N -2.37 3.66 0.00 8.40 0.04 -1.26 -2.05 135.00 141.42 1uep s PRO 55 Ca -0.02 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1uep s PRO 55 Cb -0.05 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1uep s PRO 55 CO -0.01 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1uep n GLY 56 N 4.88 1.18 3.73 0.56 0.00 0.82 -4.94 105.19 111.42 1uep n GLY 56 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.99 6.54 -0.19 1.61 1.01 -0.87 -4.58 116.67 119.20 1uep s ASP 57 Ca 0.00 2.70 -0.26 0.00 0.71 0.00 0.00 52.55 55.71 1uep s ASP 57 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1uep s ASP 57 CO 0.00 -0.84 0.87 -0.70 0.21 0.00 0.00 175.17 174.71 1uep s GLU 58 N 0.72 4.27 0.63 8.23 2.12 -1.18 -0.23 118.70 133.26 1uep s GLU 58 Ca 0.68 1.07 -0.16 0.00 0.36 0.00 0.00 54.97 56.92 1uep s GLU 58 Cb -0.45 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 1uep s GLU 58 CO 0.35 -0.42 1.12 -0.51 -0.54 0.00 0.00 175.26 175.26 1uep s LEU 59 N 2.47 3.49 0.00 2.70 1.43 0.94 -0.22 118.68 129.48 1uep s LEU 59 Ca 0.39 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1uep s LEU 59 Cb -0.16 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1uep s LEU 59 CO 0.10 -1.56 0.00 0.52 0.23 0.00 0.00 176.35 175.65 1uep n VAL 60 N -2.12 0.00 -4.13 -1.59 0.31 0.25 -4.61 118.33 106.45 1uep n VAL 60 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.28 1uep n VAL 60 Cb 0.52 -0.67 -0.12 0.00 -0.91 0.00 0.00 33.84 32.66 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 -1.78 0.93 -0.05 3.52 2.02 -1.09 -0.99 117.35 119.92 1uep s TYR 61 Ca 0.00 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1uep s TYR 61 Cb 0.00 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 41.05 1uep s TYR 61 CO 0.00 -0.01 0.02 0.08 -1.57 0.00 0.00 175.55 174.06 1uep s VAL 62 N -1.24 0.19 -0.65 0.71 1.01 -0.39 -2.07 120.40 117.96 1uep s VAL 62 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1uep s VAL 62 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1uep s VAL 62 CO 0.01 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.65 1uep n ASP 63 N 4.91 -3.94 0.00 3.32 2.03 0.58 -1.20 116.55 122.25 1uep n ASP 63 Ca -0.11 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1uep n ASP 63 Cb 0.50 -2.94 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 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 0.27 0.78 3.73 0.27 0.00 -1.26 -4.81 105.19 104.17 1uep n GLY 64 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 5.26 -0.35 -0.61 1.09 -0.34 -4.99 121.20 119.25 1uep s ILE 65 Ca 0.00 0.71 -0.29 0.00 -1.10 0.00 0.00 60.65 59.97 1uep s ILE 65 Cb 0.00 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1uep s ILE 65 CO 0.00 0.37 1.56 -2.16 -0.10 0.00 0.00 174.94 174.62 1uep s PRO 66 N 0.48 3.55 0.00 2.79 0.04 -1.26 -1.26 135.00 139.34 1uep s PRO 66 Ca 0.20 1.23 0.19 0.00 0.04 0.00 0.00 61.00 62.66 1uep s PRO 66 Cb -0.14 -4.08 0.87 0.00 0.04 0.00 0.00 34.50 31.20 1uep s PRO 66 CO 0.06 -1.60 1.60 1.33 0.04 0.00 0.00 177.00 178.44 1uep n VAL 67 N 7.05 0.59 -1.66 -0.36 0.24 -0.16 -4.84 118.33 119.19 1uep n VAL 67 Ca 0.19 0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 62.21 1uep n VAL 67 Cb 0.47 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 31.98 1uep n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uep n ALA 68 N -1.41 1.60 -0.06 2.33 0.00 -1.20 -1.30 120.51 120.48 1uep n ALA 68 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1uep n ALA 68 Cb 0.19 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.97 1uep n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uep n GLY 69 N 4.53 1.98 3.93 0.00 0.00 -1.26 -5.02 105.19 109.35 1uep n GLY 69 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1uep n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep s LYS 70 N -0.31 1.56 0.54 1.61 -0.14 -0.42 -1.92 119.74 120.66 1uep s LYS 70 Ca 0.00 -0.32 0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1uep s LYS 70 Cb 0.00 -2.03 0.03 0.00 -1.68 0.00 0.00 37.83 34.15 1uep s LYS 70 CO 0.00 -1.75 0.76 0.95 -0.76 0.00 0.00 175.35 174.55 1uep s THR 71 N -3.53 2.73 0.22 2.17 -4.23 -1.26 -4.24 115.64 107.49 1uep s THR 71 Ca 0.66 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 1uep s THR 71 Cb -0.08 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1uep s THR 71 CO 0.48 -0.01 1.70 -0.74 -0.54 0.00 0.00 174.62 175.52 1uep h HIS 72 N 0.12 0.21 -0.37 3.99 -0.00 -1.09 -2.17 115.15 115.84 1uep h HIS 72 Ca -0.42 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.01 1uep h HIS 72 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.69 1uep h HIS 72 CO 0.37 -0.04 0.25 -0.09 -0.00 0.00 0.00 177.93 178.42 1uep h ARG 73 N 0.26 0.41 -0.68 5.26 2.43 -1.93 -0.66 114.38 119.47 1uep h ARG 73 Ca 0.33 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.62 1uep h ARG 73 Cb 0.51 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 29.85 1uep h ARG 73 CO -0.42 0.27 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.38 1uep h TYR 74 N 0.42 -0.05 -0.11 2.20 5.03 -1.78 -0.25 116.97 122.42 1uep h TYR 74 Ca 0.15 0.05 -0.18 0.00 2.58 0.00 0.00 58.73 61.33 1uep h TYR 74 Cb 0.08 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.49 1uep h TYR 74 CO -0.00 -0.20 -0.66 0.28 -1.32 0.00 0.00 178.16 176.26 1uep h VAL 75 N 0.11 1.35 -0.44 1.81 2.07 -1.21 -1.91 116.25 118.03 1uep h VAL 75 Ca 0.36 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 1uep h VAL 75 Cb 0.60 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1uep h VAL 75 CO -0.59 0.61 0.14 0.40 0.02 0.00 0.00 177.57 178.16 1uep h ILE 76 N 0.33 1.18 -0.46 4.57 1.08 -0.95 0.15 117.51 123.42 1uep h ILE 76 Ca -0.02 -0.60 -0.08 0.00 -0.39 0.00 0.00 64.86 63.77 1uep h ILE 76 Cb 1.23 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1uep h ILE 76 CO 0.12 0.23 -0.02 -0.78 -0.69 0.00 0.00 178.15 177.01 1uep h ASP 77 N 0.63 0.81 -0.25 1.72 3.58 -0.83 -2.83 116.42 119.25 1uep h ASP 77 Ca 0.15 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1uep h ASP 77 Cb 0.18 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1uep h ASP 77 CO -0.01 0.93 0.12 -0.07 -2.88 0.00 0.00 179.24 177.33 1uep h LEU 78 N 0.67 0.32 -2.05 2.28 -0.00 -0.64 -2.27 115.31 113.62 1uep h LEU 78 Ca 0.13 -0.13 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 1uep h LEU 78 Cb 0.53 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 1uep h LEU 78 CO 0.03 0.36 0.34 0.24 -0.00 0.00 0.00 178.44 179.41 1uep h MET 79 N 0.27 0.00 -0.14 1.13 2.86 -0.68 0.12 114.93 118.49 1uep h MET 79 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1uep h MET 79 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1uep h MET 79 CO -0.01 0.00 -0.28 1.25 1.06 0.00 0.00 176.91 178.93 1uep h HIS 80 N 0.00 0.55 -0.25 -0.22 6.17 -1.16 -2.04 115.15 118.21 1uep h HIS 80 Ca 0.19 -0.20 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 1uep h HIS 80 Cb 0.88 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.69 1uep h HIS 80 CO 0.00 0.90 0.10 0.45 0.71 0.00 0.00 177.93 180.09 1uep h HIS 81 N 0.04 0.38 -0.71 5.26 -0.00 -0.93 -2.67 115.15 116.52 1uep h HIS 81 Ca 0.00 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1uep h HIS 81 Cb 0.87 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.11 1uep h HIS 81 CO 0.10 0.40 0.42 0.00 -0.00 0.00 0.00 177.93 178.86 1uep h ALA 82 N 0.94 0.95 0.00 2.45 0.00 -0.91 0.62 119.26 123.31 1uep h ALA 82 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1uep h ALA 82 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uep h ALA 82 CO -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 1uep h ALA 83 N 1.34 1.32 0.38 0.00 0.00 -1.25 -0.66 119.26 120.40 1uep h ALA 83 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1uep h ALA 83 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1uep h ALA 83 CO -0.16 0.07 -0.18 0.00 0.00 0.00 0.00 179.25 178.98 1uep h ARG 84 N 0.00 -0.49 -0.96 0.00 3.08 -0.61 -3.37 114.38 112.03 1uep h ARG 84 Ca -0.00 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1uep h ARG 84 Cb 0.18 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1uep h ARG 84 CO 0.01 -0.29 0.62 -0.91 -1.07 0.00 0.00 179.97 178.32 1uep h ASN 85 N -1.12 0.96 0.00 7.04 2.35 -0.53 -3.46 115.58 120.83 1uep h ASN 85 Ca -0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1uep h ASN 85 Cb 0.42 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1uep h ASN 85 CO 0.09 0.60 0.00 0.61 -1.65 0.00 0.00 177.43 177.07 1uep n GLY 86 N -1.38 1.31 3.52 2.83 0.00 -0.31 -5.08 105.19 106.09 1uep n GLY 86 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.31 1.80 -0.07 1.61 -2.07 -1.18 -0.53 119.66 118.91 1uep s GLN 87 Ca 0.00 -1.60 -0.03 0.00 -1.82 0.00 0.00 55.36 51.91 1uep s GLN 87 Cb 0.00 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1uep s GLN 87 CO 0.00 -0.75 0.15 0.54 -1.32 0.00 0.00 175.29 173.91 1uep s VAL 88 N -3.30 -0.08 0.13 3.63 0.11 -0.18 -4.36 120.40 116.35 1uep s VAL 88 Ca 0.28 0.21 -0.24 0.00 -2.93 0.00 0.00 61.98 59.30 1uep s VAL 88 Cb -0.00 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.52 1uep s VAL 88 CO 0.16 0.09 0.73 0.21 -3.33 0.00 0.00 175.10 172.96 1uep s ASN 89 N 1.35 7.30 -0.17 3.54 2.47 -1.26 -1.15 114.94 127.02 1uep s ASN 89 Ca -0.07 1.54 -0.03 0.00 0.42 0.00 0.00 52.86 54.72 1uep s ASN 89 Cb -0.12 -2.47 0.05 0.00 -1.45 0.00 0.00 41.25 37.27 1uep s ASN 89 CO -0.06 0.20 0.04 -0.76 -3.72 0.00 0.00 177.10 172.80 1uep s LEU 90 N -1.01 0.96 -0.34 3.21 1.43 0.54 -0.31 118.68 123.16 1uep s LEU 90 Ca 0.35 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1uep s LEU 90 Cb -0.22 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 1uep s LEU 90 CO 0.24 -0.29 0.43 -0.89 0.23 0.00 0.00 176.35 176.07 1uep s THR 91 N 1.92 5.10 0.49 5.49 2.01 -0.88 -0.82 115.64 128.95 1uep s THR 91 Ca 0.00 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.32 1uep s THR 91 Cb -0.16 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1uep s THR 91 CO -0.08 -0.12 0.67 0.68 -0.69 0.00 0.00 174.62 175.08 1uep s VAL 92 N 2.18 2.61 0.12 3.82 -7.23 -1.23 -0.58 120.40 120.09 1uep s VAL 92 Ca 0.15 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.19 1uep s VAL 92 Cb -0.16 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1uep s VAL 92 CO 0.12 0.00 0.32 0.00 -0.31 0.00 0.00 175.10 175.23 1uep s ARG 93 N -4.49 1.01 -0.13 4.82 1.70 0.69 -0.18 118.95 122.38 1uep s ARG 93 Ca 0.58 -0.85 -0.21 0.00 -0.47 0.00 0.00 55.73 54.78 1uep s ARG 93 Cb -0.08 0.42 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1uep s ARG 93 CO 0.36 -0.37 0.54 1.03 -1.08 0.00 0.00 175.30 175.77 1uep s ARG 94 N -3.84 0.75 0.56 3.89 0.52 -0.97 -3.13 118.95 116.73 1uep s ARG 94 Ca 0.05 0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 55.51 1uep s ARG 94 Cb 0.03 0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.81 1uep s ARG 94 CO -0.10 -0.16 1.23 0.21 0.02 0.00 0.00 175.30 176.50 1uep s LYS 95 N -0.40 3.16 -0.46 3.54 2.36 -1.26 -3.25 119.74 123.43 1uep s LYS 95 Ca -0.05 1.90 0.08 0.00 -2.55 0.00 0.00 55.97 55.34 1uep s LYS 95 Cb -0.03 -2.08 0.38 0.00 -1.05 0.00 0.00 37.83 35.04 1uep s LYS 95 CO 0.04 -1.07 0.95 0.28 1.55 0.00 0.00 175.35 177.09 1uep n VAL 96 N -1.26 1.95 -1.18 4.02 0.31 -1.26 -4.93 118.33 115.98 1uep n VAL 96 Ca 0.12 -4.87 0.15 0.00 -0.01 0.00 0.00 64.34 59.73 1uep n VAL 96 Cb 0.48 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 1uep n VAL 96 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1uep n LEU 97 N -0.18 -0.77 0.00 7.52 7.94 -1.26 -4.90 117.00 125.35 1uep n LEU 97 Ca 0.29 1.77 -0.13 0.00 -1.11 0.00 0.00 56.01 56.84 1uep n LEU 97 Cb 0.58 -3.30 0.07 0.00 0.53 0.00 0.00 43.42 41.30 1uep n LEU 97 CO 0.30 -2.18 0.33 -1.54 -1.11 0.00 0.00 177.39 173.19 1uep n SER 98 N -3.95 0.48 -4.02 1.96 3.41 -1.26 -4.89 113.62 105.35 1uep n SER 98 Ca -0.05 -1.47 -0.25 0.00 -0.26 0.00 0.00 58.87 56.84 1uep n SER 98 Cb 0.55 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 1uep n SER 98 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uep s GLY 99 N -3.97 2.59 -1.20 5.00 0.00 -1.26 -5.04 107.32 103.44 1uep s GLY 99 Ca 0.35 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 1uep s GLY 99 CO 0.23 -1.79 2.45 -1.55 0.00 0.00 0.00 173.10 172.45 1uep n PRO 100 N -0.88 2.73 -3.70 2.90 -0.04 -1.26 -4.77 135.00 129.98 1uep n PRO 100 Ca -0.04 -1.75 -0.14 0.00 -0.04 0.00 0.00 63.50 61.52 1uep n PRO 100 Cb 0.65 -2.59 -0.08 0.00 -0.04 0.00 0.00 33.50 31.43 1uep n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uep s SER 101 N 2.91 -0.37 0.00 3.54 0.15 -1.26 -5.08 113.70 113.60 1uep s SER 101 Ca 0.52 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1uep s SER 101 Cb 0.13 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1uep s SER 101 CO -0.04 -0.39 0.00 -1.20 1.20 0.00 0.00 173.24 172.81 1uep n SER 102 N 1.69 0.00 0.00 5.45 7.64 -1.26 -5.11 113.62 122.03 1uep n SER 102 Ca -0.19 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1uep n SER 102 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64