#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uep s SER 2 N 0.00 -0.72 -0.89 1.61 1.04 -1.26 -5.10 113.70 108.38 1uep s SER 2 Ca 0.00 0.35 -0.23 0.00 0.48 0.00 0.00 55.95 56.55 1uep s SER 2 Cb 0.00 1.69 0.07 0.00 0.10 0.00 0.00 66.02 67.88 1uep s SER 2 CO 0.00 -0.29 1.27 -0.44 0.98 0.00 0.00 173.24 174.76 1uep s SER 3 N 2.72 6.41 -0.32 7.02 0.01 -1.26 -4.78 113.70 123.49 1uep s SER 3 Ca 0.15 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 1uep s SER 3 Cb -0.14 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1uep s SER 3 CO -0.22 -1.47 0.38 0.61 0.41 0.00 0.00 173.24 172.95 1uep n GLY 4 N 6.03 -1.13 7.00 3.44 0.00 -1.26 -3.90 105.19 115.36 1uep n GLY 4 Ca 0.19 0.82 0.00 0.00 0.00 0.00 0.00 46.02 47.03 1uep n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uep n SER 5 N 0.27 0.00 -3.34 1.61 2.88 -1.26 -4.17 113.62 109.61 1uep n SER 5 Ca 0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1uep n SER 5 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1uep n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uep s SER 6 N -4.00 1.45 0.00 -3.46 1.04 -1.26 -4.94 113.70 102.53 1uep s SER 6 Ca 0.00 -2.28 0.00 0.00 0.48 0.00 0.00 55.95 54.15 1uep s SER 6 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1uep s SER 6 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1uep n GLY 7 N 3.57 1.50 3.64 7.32 0.00 -1.25 -5.08 105.19 114.89 1uep n GLY 7 Ca 0.19 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 1uep n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1uep n TYR 8 N 0.00 0.71 -4.93 1.61 0.18 -1.26 -3.88 117.16 109.59 1uep n TYR 8 Ca 0.00 0.38 -0.27 0.00 1.88 0.00 0.00 57.90 59.89 1uep n TYR 8 Cb 0.00 -2.03 -0.16 0.00 -0.38 0.00 0.00 39.34 36.77 1uep n TYR 8 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1uep s LYS 9 N -4.12 1.79 0.26 -3.48 -2.85 -0.39 -4.65 119.74 106.30 1uep s LYS 9 Ca 0.69 -0.68 -0.04 0.00 -1.00 0.00 0.00 55.97 54.95 1uep s LYS 9 Cb -0.27 -1.61 -0.05 0.00 -2.06 0.00 0.00 37.83 33.84 1uep s LYS 9 CO 0.55 0.33 0.50 -1.21 0.10 0.00 0.00 175.35 175.62 1uep s GLU 10 N -0.18 3.60 -0.02 1.78 2.02 -1.26 -1.77 118.70 122.87 1uep s GLU 10 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1uep s GLU 10 Cb -0.10 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.44 1uep s GLU 10 CO 0.01 0.28 0.02 -0.51 0.02 0.00 0.00 175.26 175.08 1uep s LEU 11 N -3.45 1.25 -0.02 1.80 1.02 0.63 -4.96 118.68 114.95 1uep s LEU 11 Ca 0.42 0.02 -0.22 0.00 0.02 0.00 0.00 54.13 54.37 1uep s LEU 11 Cb -0.11 -0.08 -0.05 0.00 0.02 0.00 0.00 46.19 45.97 1uep s LEU 11 CO 0.29 -0.10 0.65 1.51 0.02 0.00 0.00 176.35 178.72 1uep s ASP 12 N 0.87 7.01 -0.25 2.29 -4.77 -1.26 -0.95 116.67 119.61 1uep s ASP 12 Ca -0.08 1.20 -0.01 0.00 -3.30 0.00 0.00 52.55 50.37 1uep s ASP 12 Cb -0.11 -2.39 0.07 0.00 -1.09 0.00 0.00 42.92 39.40 1uep s ASP 12 CO -0.02 0.01 0.02 -0.69 0.70 0.00 0.00 175.17 175.19 1uep s VAL 13 N 0.19 1.07 -0.26 2.11 1.01 -0.02 -4.99 120.40 119.51 1uep s VAL 13 Ca 0.34 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1uep s VAL 13 Cb -0.18 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1uep s VAL 13 CO 0.18 -0.33 0.05 -2.28 0.00 0.00 0.00 175.10 172.73 1uep s HIS 14 N 1.58 3.08 0.07 5.22 5.04 -1.26 -0.43 115.29 128.59 1uep s HIS 14 Ca 0.01 -0.70 0.05 0.00 -1.54 0.00 0.00 55.06 52.89 1uep s HIS 14 Cb -0.18 -2.22 -0.04 0.00 0.04 0.00 0.00 32.58 30.18 1uep s HIS 14 CO -0.12 -0.47 -0.05 -0.51 -2.34 0.00 0.00 174.74 171.25 1uep s LEU 15 N 1.55 3.26 0.57 8.88 1.43 -0.29 -4.98 118.68 129.10 1uep s LEU 15 Ca 0.05 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1uep s LEU 15 Cb -0.16 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1uep s LEU 15 CO 0.02 0.21 0.88 0.00 0.23 0.00 0.00 176.35 177.68 1uep s ARG 16 N -2.02 2.98 -0.45 1.70 1.70 -1.26 -1.16 118.95 120.43 1uep s ARG 16 Ca 0.22 -0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.47 1uep s ARG 16 Cb -0.11 -2.30 0.12 0.00 -0.57 0.00 0.00 34.95 32.09 1uep s ARG 16 CO 0.14 -0.63 0.20 0.50 -1.08 0.00 0.00 175.30 174.43 1uep s ARG 17 N -4.94 1.90 0.00 3.89 3.52 0.10 -4.34 118.95 119.08 1uep s ARG 17 Ca 0.53 -2.20 0.00 0.00 -0.13 0.00 0.00 55.73 53.93 1uep s ARG 17 Cb -0.10 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 1uep s ARG 17 CO 0.45 -1.05 0.00 -0.12 -0.81 0.00 0.00 175.30 173.76 1uep n MET 18 N 3.84 1.46 0.00 5.12 1.56 -1.26 -4.78 117.12 123.06 1uep n MET 18 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1uep n MET 18 Cb 0.38 -0.12 0.00 0.00 2.15 0.00 0.00 33.22 35.63 1uep n MET 18 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1uep n GLU 19 N 0.00 0.00 0.16 2.12 1.02 -1.26 -4.99 120.64 117.68 1uep n GLU 19 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1uep n GLU 19 Cb 0.00 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 31.81 1uep n GLU 19 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1uep h SER 20 N 0.00 0.12 -2.58 1.62 0.02 -1.97 -3.48 113.55 107.28 1uep h SER 20 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1uep h SER 20 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1uep h SER 20 CO 0.00 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 1uep n GLY 21 N -0.76 -2.47 3.64 -3.77 0.00 -1.26 -4.87 105.19 95.70 1uep n GLY 21 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 0.05 -2.27 -1.10 1.61 3.72 -1.26 -4.82 117.46 113.39 1uep n PHE 22 Ca 0.00 0.92 -0.22 0.00 -0.05 0.00 0.00 57.45 58.10 1uep n PHE 22 Cb 0.00 -2.87 -0.11 0.00 -0.94 0.00 0.00 39.48 35.56 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 -1.48 3.45 3.69 1.37 0.00 -1.26 -4.83 105.19 106.14 1uep n GLY 23 Ca -0.24 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 1.55 2.02 0.16 1.61 -0.71 -1.26 -0.94 117.98 120.41 1uep s PHE 24 Ca 0.66 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 1uep s PHE 24 Cb 0.26 -1.60 -0.04 0.00 -1.21 0.00 0.00 43.02 40.43 1uep s PHE 24 CO -0.02 0.22 0.03 0.50 -1.34 0.00 0.00 175.22 174.61 1uep s ARG 25 N -3.82 1.05 -0.05 1.99 3.52 0.09 -4.81 118.95 116.92 1uep s ARG 25 Ca 0.16 -1.51 0.02 0.00 -0.13 0.00 0.00 55.73 54.27 1uep s ARG 25 Cb 0.04 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.41 1uep s ARG 25 CO 0.08 -0.20 -0.09 0.42 -0.81 0.00 0.00 175.30 174.71 1uep s ILE 26 N -3.84 0.83 -0.05 4.11 1.01 -1.26 -0.28 121.20 121.72 1uep s ILE 26 Ca 0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 1uep s ILE 26 Cb 0.07 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.77 1uep s ILE 26 CO 0.04 0.28 0.31 -1.48 0.00 0.00 0.00 174.94 174.09 1uep s LEU 27 N 0.71 0.85 0.00 2.97 0.05 -1.15 -4.69 118.68 117.41 1uep s LEU 27 Ca -0.12 0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.34 1uep s LEU 27 Cb -0.14 1.19 0.00 0.00 -2.05 0.00 0.00 46.19 45.18 1uep s LEU 27 CO 0.02 -0.32 0.00 0.61 -0.55 0.00 0.00 176.35 176.11 1uep n GLY 28 N 1.87 1.00 2.56 -3.48 0.00 -1.26 -3.47 105.19 102.41 1uep n GLY 28 Ca -0.19 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.47 0.03 0.36 -0.02 0.00 -0.82 -4.11 105.19 100.18 1uep n GLY 29 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1uep n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uep h ASP 30 N -1.10 0.63 -4.91 1.61 3.32 -1.90 0.31 116.42 114.38 1uep h ASP 30 Ca -0.31 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 1uep h ASP 30 Cb 1.21 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1uep h ASP 30 CO 0.32 0.36 -0.69 -1.61 -1.72 0.00 0.00 179.24 175.91 1uep s GLU 31 N -5.65 0.76 -1.30 3.56 2.02 -1.26 -4.87 118.70 111.95 1uep s GLU 31 Ca -0.10 -1.30 -0.16 0.00 0.02 0.00 0.00 54.97 53.43 1uep s GLU 31 Cb 0.21 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.43 1uep s GLU 31 CO 0.78 -0.07 2.07 -0.35 0.02 0.00 0.00 175.26 177.71 1uep n PRO 32 N 0.01 2.64 0.00 0.39 -0.04 -1.26 -2.02 135.00 134.72 1uep n PRO 32 Ca -0.12 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1uep n PRO 32 Cb 0.61 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1uep n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uep n GLY 33 N 4.49 0.00 3.80 0.55 0.00 -1.26 -4.73 105.19 108.05 1uep n GLY 33 Ca 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 2.85 0.25 1.61 -1.52 -0.85 -4.87 119.66 117.12 1uep s GLN 34 Ca 0.00 1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 54.23 1uep s GLN 34 Cb 0.00 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.73 1uep s GLN 34 CO 0.00 -1.18 1.21 -1.25 -0.25 0.00 0.00 175.29 173.82 1uep s PRO 35 N -4.68 4.49 -0.59 2.91 0.04 -1.26 -4.38 135.00 131.53 1uep s PRO 35 Ca 0.61 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 1uep s PRO 35 Cb -0.16 -3.18 0.15 0.00 0.04 0.00 0.00 34.50 31.36 1uep s PRO 35 CO 0.49 -0.03 0.43 0.42 0.04 0.00 0.00 177.00 178.35 1uep s ILE 36 N -0.65 3.96 0.36 0.56 1.01 -1.26 -1.94 121.20 123.25 1uep s ILE 36 Ca 0.50 -2.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.52 1uep s ILE 36 Cb -0.35 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1uep s ILE 36 CO 0.42 -0.85 0.66 -0.76 0.00 0.00 0.00 174.94 174.41 1uep s LEU 37 N 0.39 3.91 -0.32 2.97 1.43 -1.23 -0.17 118.68 125.66 1uep s LEU 37 Ca 0.14 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1uep s LEU 37 Cb -0.20 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.21 1uep s LEU 37 CO -0.04 -0.33 2.28 -0.38 0.23 0.00 0.00 176.35 178.11 1uep n ILE 38 N -1.33 0.21 -0.10 -0.59 2.08 0.58 -2.95 119.36 117.26 1uep n ILE 38 Ca -0.00 -0.49 -0.14 0.00 0.56 0.00 0.00 62.75 62.68 1uep n ILE 38 Cb 0.54 -2.41 -0.03 0.00 -0.75 0.00 0.00 39.64 36.99 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 15.58 0.91 -1.44 7.39 0.00 -0.85 0.23 103.07 124.88 1uep h GLY 39 Ca -0.34 -0.96 0.01 0.00 0.00 0.00 0.00 47.33 46.04 1uep h GLY 39 CO 1.03 0.86 0.25 0.00 0.00 0.00 0.00 176.54 178.68 1uep s ALA 40 N -4.32 -0.89 0.09 3.60 0.00 -1.20 -4.69 121.76 114.36 1uep s ALA 40 Ca -0.12 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1uep s ALA 40 Cb 0.10 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1uep s ALA 40 CO 0.86 -1.00 -0.20 0.08 0.00 0.00 0.00 175.76 175.50 1uep s VAL 41 N -2.89 1.66 -0.39 0.00 1.01 -1.26 -0.73 120.40 117.79 1uep s VAL 41 Ca 0.14 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1uep s VAL 41 Cb -0.05 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1uep s VAL 41 CO 0.10 -0.02 0.73 -0.63 0.00 0.00 0.00 175.10 175.28 1uep s ILE 42 N -1.10 4.76 0.17 2.22 -1.09 -0.12 -4.93 121.20 121.13 1uep s ILE 42 Ca 0.06 0.60 -0.23 0.00 -2.23 0.00 0.00 60.65 58.84 1uep s ILE 42 Cb -0.10 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.65 1uep s ILE 42 CO 0.04 -0.49 1.58 0.00 -1.23 0.00 0.00 174.94 174.84 1uep h ALA 43 N 8.65 -0.19 -0.01 9.38 0.00 -2.00 -0.19 119.26 134.89 1uep h ALA 43 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uep h ALA 43 Cb 1.10 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1uep h ALA 43 CO 0.90 -0.75 -0.04 -1.33 0.00 0.00 0.00 179.25 178.03 1uep n MET 44 N -5.42 1.54 -2.22 0.00 2.81 -1.26 -4.58 117.12 107.99 1uep n MET 44 Ca 0.02 -0.89 -0.33 0.00 -1.81 0.00 0.00 57.70 54.69 1uep n MET 44 Cb 0.35 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.08 2.27 0.00 3.03 0.00 -0.08 -4.92 107.32 105.53 1uep s GLY 45 Ca 0.36 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.59 1uep s GLY 45 CO 0.36 0.80 0.99 -1.26 0.00 0.00 0.00 173.10 173.99 1uep n SER 46 N -1.66 0.00 0.09 1.64 2.88 -1.26 -1.64 113.62 113.67 1uep n SER 46 Ca 0.09 0.31 -0.22 0.00 -1.33 0.00 0.00 58.87 57.72 1uep n SER 46 Cb 0.53 -0.35 -0.14 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 h ALA 47 N 2.16 -0.07 0.16 -1.46 0.00 -1.86 -3.07 119.26 115.12 1uep h ALA 47 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1uep h ALA 47 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uep h ALA 47 CO 0.00 0.57 -0.08 0.22 0.00 0.00 0.00 179.25 179.96 1uep h ASP 48 N 0.02 -0.18 0.07 0.00 1.82 -1.50 -1.44 116.42 115.21 1uep h ASP 48 Ca -0.19 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1uep h ASP 48 Cb 1.86 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.92 1uep h ASP 48 CO 0.22 0.14 0.00 -2.11 -1.61 0.00 0.00 179.24 175.88 1uep n ARG 49 N -5.05 0.10 0.21 0.28 1.85 -1.24 -1.21 116.66 111.60 1uep n ARG 49 Ca -0.09 0.57 0.15 0.00 -1.00 0.00 0.00 57.85 57.48 1uep n ARG 49 Cb 0.21 -1.81 0.56 0.00 -1.05 0.00 0.00 32.46 30.37 1uep n ARG 49 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1uep h ASP 50 N 0.00 0.00 -0.57 2.89 3.58 -1.15 -3.48 116.42 117.69 1uep h ASP 50 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1uep h ASP 50 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1uep h ASP 50 CO 0.00 0.00 -0.05 0.61 -2.88 0.00 0.00 179.24 176.92 1uep n GLY 51 N 0.20 0.45 1.69 -0.78 0.00 -0.35 -4.93 105.19 101.46 1uep n GLY 51 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.09 0.00 -1.84 1.61 1.74 -1.26 -5.12 116.66 110.70 1uep n ARG 52 Ca -0.01 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 1uep n ARG 52 Cb 0.51 -0.06 0.02 0.00 -1.02 0.00 0.00 32.46 31.92 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 -5.73 3.99 0.08 0.55 1.43 -1.26 -5.06 118.68 112.68 1uep s LEU 53 Ca 0.00 2.79 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1uep s LEU 53 Cb 0.00 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1uep s LEU 53 CO 0.00 -1.31 -0.13 -1.00 0.23 0.00 0.00 176.35 174.13 1uep s HIS 54 N -1.28 1.21 0.38 0.29 3.76 -1.26 -4.91 115.29 113.49 1uep s HIS 54 Ca 0.66 -0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 54.80 1uep s HIS 54 Cb -0.41 -0.67 -0.12 0.00 1.11 0.00 0.00 32.58 32.50 1uep s HIS 54 CO 0.50 0.06 1.00 -2.30 -0.85 0.00 0.00 174.74 173.16 1uep n PRO 55 N 1.03 1.36 -0.66 8.40 -0.02 -1.26 -2.35 135.00 141.51 1uep n PRO 55 Ca -0.19 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1uep n PRO 55 Cb 0.55 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.20 1.52 3.74 -1.23 0.00 0.07 -4.98 105.19 105.50 1uep n GLY 56 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.22 6.61 -0.20 1.61 1.01 -0.99 -4.78 116.67 116.71 1uep s ASP 57 Ca 0.00 2.69 -0.21 0.00 0.71 0.00 0.00 52.55 55.74 1uep s ASP 57 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1uep s ASP 57 CO 0.00 -0.75 0.64 -0.70 0.21 0.00 0.00 175.17 174.58 1uep s GLU 58 N -0.15 4.21 0.31 8.23 2.12 -1.00 -0.31 118.70 132.12 1uep s GLU 58 Ca 0.61 0.64 -0.28 0.00 0.36 0.00 0.00 54.97 56.30 1uep s GLU 58 Cb -0.43 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.28 1uep s GLU 58 CO 0.42 -0.26 1.13 -0.51 -0.54 0.00 0.00 175.26 175.50 1uep s LEU 59 N 1.98 4.47 0.03 2.70 1.43 0.76 -0.11 118.68 129.94 1uep s LEU 59 Ca 0.29 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 1uep s LEU 59 Cb -0.16 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1uep s LEU 59 CO 0.10 -0.28 0.00 0.52 0.23 0.00 0.00 176.35 176.93 1uep n VAL 60 N 0.92 0.35 -4.32 -1.59 0.31 0.27 -4.65 118.33 109.63 1uep n VAL 60 Ca 0.00 0.12 -0.20 0.00 -0.01 0.00 0.00 64.34 64.25 1uep n VAL 60 Cb 0.45 -1.49 -0.13 0.00 -0.91 0.00 0.00 33.84 31.76 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 1.24 -0.08 3.52 2.02 -1.04 -1.31 117.35 119.71 1uep s TYR 61 Ca 0.00 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1uep s TYR 61 Cb 0.00 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 1uep s TYR 61 CO 0.00 0.04 -0.06 0.08 -1.57 0.00 0.00 175.55 174.05 1uep s VAL 62 N -0.95 0.75 -0.88 0.71 1.01 -0.09 -1.19 120.40 119.76 1uep s VAL 62 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1uep s VAL 62 Cb -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1uep s VAL 62 CO 0.02 0.30 0.00 -0.67 0.00 0.00 0.00 175.10 174.75 1uep n ASP 63 N 4.55 -5.49 0.00 3.32 2.03 0.46 -0.75 116.55 120.67 1uep n ASP 63 Ca -0.16 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1uep n ASP 63 Cb 0.51 -3.72 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 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 0.02 0.73 3.64 0.27 0.00 -1.26 -4.90 105.19 103.69 1uep n GLY 64 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.54 5.10 -0.15 -0.61 -1.09 0.08 -5.02 121.20 116.96 1uep s ILE 65 Ca 0.00 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 1uep s ILE 65 Cb 0.00 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1uep s ILE 65 CO 0.00 0.38 1.50 -2.16 -1.23 0.00 0.00 174.94 173.43 1uep s PRO 66 N 0.89 4.07 0.00 2.79 0.04 -1.26 -0.91 135.00 140.61 1uep s PRO 66 Ca 0.06 1.81 0.26 0.00 0.04 0.00 0.00 61.00 63.18 1uep s PRO 66 Cb -0.13 -3.92 1.15 0.00 0.04 0.00 0.00 34.50 31.64 1uep s PRO 66 CO 0.03 -0.94 1.84 1.33 0.04 0.00 0.00 177.00 179.30 1uep n VAL 67 N 5.75 0.21 -1.90 -0.36 0.24 -0.43 -4.87 118.33 116.97 1uep n VAL 67 Ca 0.16 0.05 -0.43 0.00 -2.04 0.00 0.00 64.34 62.09 1uep n VAL 67 Cb 0.44 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.91 3.28 0.00 2.33 0.00 -1.25 -1.90 121.76 121.31 1uep s ALA 68 Ca 0.15 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1uep s ALA 68 Cb 0.17 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1uep s ALA 68 CO 0.46 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1uep n GLY 69 N 4.77 0.72 3.94 0.00 0.00 -1.26 -5.03 105.19 108.33 1uep n GLY 69 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.77 2.27 0.69 1.61 -0.14 -0.80 -4.05 119.74 118.54 1uep s LYS 70 Ca 0.00 -1.92 0.04 0.00 -1.36 0.00 0.00 55.97 52.72 1uep s LYS 70 Cb 0.00 -2.25 0.13 0.00 -1.68 0.00 0.00 37.83 34.03 1uep s LYS 70 CO 0.00 -0.69 0.95 0.25 -0.76 0.00 0.00 175.35 175.10 1uep n THR 71 N -1.90 0.00 -0.06 2.17 -2.24 -1.26 -4.33 114.28 106.66 1uep n THR 71 Ca 0.03 -1.75 -0.09 0.00 -2.27 0.00 0.00 64.05 59.97 1uep n THR 71 Cb 0.64 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1uep n THR 71 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1uep h HIS 72 N -0.35 -0.91 0.00 4.78 -0.00 -1.08 -2.66 115.15 114.93 1uep h HIS 72 Ca -0.32 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 1uep h HIS 72 Cb 1.26 0.44 -0.00 0.00 -0.00 0.00 0.00 27.41 29.11 1uep h HIS 72 CO 0.00 -0.39 -0.06 -0.09 -0.00 0.00 0.00 177.93 177.39 1uep h ARG 73 N -0.33 0.00 -0.54 5.26 9.65 -1.93 -0.41 114.38 126.09 1uep h ARG 73 Ca 0.13 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.11 1uep h ARG 73 Cb 0.54 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.01 1uep h ARG 73 CO -0.44 0.06 -0.33 -0.92 2.80 0.00 0.00 179.97 181.14 1uep h TYR 74 N 0.00 -0.90 -0.12 2.20 3.20 -1.85 -1.24 116.97 118.26 1uep h TYR 74 Ca -0.00 0.07 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 1uep h TYR 74 Cb 0.13 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1uep h TYR 74 CO 0.00 -0.38 -0.71 0.28 -1.64 0.00 0.00 178.16 175.71 1uep h VAL 75 N -0.18 1.34 -0.92 1.81 2.07 -1.15 -2.66 116.25 116.56 1uep h VAL 75 Ca 0.22 -2.03 0.06 0.00 0.82 0.00 0.00 66.70 65.76 1uep h VAL 75 Cb 0.54 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1uep h VAL 75 CO -0.64 0.62 0.58 0.40 0.02 0.00 0.00 177.57 178.56 1uep h ILE 76 N 0.38 1.08 -0.08 4.57 1.08 -1.02 0.20 117.51 123.72 1uep h ILE 76 Ca -0.03 -0.37 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 1uep h ILE 76 Cb 1.29 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1uep h ILE 76 CO 0.13 0.20 -0.33 -0.78 -0.69 0.00 0.00 178.15 176.68 1uep h ASP 77 N 1.08 0.15 0.04 1.72 3.58 -1.01 -0.83 116.42 121.16 1uep h ASP 77 Ca 0.39 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1uep h ASP 77 Cb 0.13 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1uep h ASP 77 CO -0.16 0.48 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.59 1uep h LEU 78 N 0.13 -0.05 -1.20 2.28 3.38 -0.96 -2.83 115.31 116.08 1uep h LEU 78 Ca 0.02 -0.62 0.12 0.00 0.09 0.00 0.00 57.88 57.48 1uep h LEU 78 Cb 0.65 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 1uep h LEU 78 CO 0.05 0.65 0.58 0.24 0.09 0.00 0.00 178.44 180.05 1uep h MET 79 N -0.81 0.81 0.53 1.13 2.86 -0.61 0.14 114.93 118.99 1uep h MET 79 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1uep h MET 79 Cb 0.67 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1uep h MET 79 CO 0.01 0.54 -0.47 1.25 1.06 0.00 0.00 176.91 179.30 1uep h HIS 80 N 0.84 -1.30 -0.18 -0.22 -0.00 -1.21 0.95 115.15 114.03 1uep h HIS 80 Ca 0.44 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.86 1uep h HIS 80 Cb 0.53 0.50 -0.05 0.00 -0.00 0.00 0.00 27.41 28.39 1uep h HIS 80 CO -0.00 -0.64 -0.11 0.45 -0.00 0.00 0.00 177.93 177.62 1uep h HIS 81 N -0.98 -0.28 -0.55 5.26 -0.00 -1.10 -2.44 115.15 115.05 1uep h HIS 81 Ca -0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1uep h HIS 81 Cb 0.84 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 1uep h HIS 81 CO -0.21 -0.17 0.30 0.00 -0.00 0.00 0.00 177.93 177.84 1uep h ALA 82 N 1.03 1.48 0.00 2.45 0.00 -0.96 -1.05 119.26 122.21 1uep h ALA 82 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uep h ALA 82 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1uep h ALA 82 CO -0.25 0.43 -0.11 0.00 0.00 0.00 0.00 179.25 179.32 1uep h ALA 83 N 1.56 1.16 -0.00 0.00 0.00 -0.35 -0.70 119.26 120.93 1uep h ALA 83 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uep h ALA 83 Cb 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uep h ALA 83 CO -0.03 0.14 -0.00 0.00 0.00 0.00 0.00 179.25 179.35 1uep h ARG 84 N 0.00 0.01 -0.92 0.00 3.08 -0.82 -3.27 114.38 112.45 1uep h ARG 84 Ca -0.00 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.17 1uep h ARG 84 Cb 0.40 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1uep h ARG 84 CO 0.01 0.50 0.59 -0.91 -1.07 0.00 0.00 179.97 179.10 1uep h ASN 85 N -0.49 0.76 0.00 7.04 2.35 -1.10 -3.46 115.58 120.68 1uep h ASN 85 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1uep h ASN 85 Cb 0.50 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1uep h ASN 85 CO 0.00 0.40 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 1uep n GLY 86 N -1.40 0.91 3.48 2.83 0.00 -0.33 -5.04 105.19 105.64 1uep n GLY 86 Ca 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.60 1.36 0.16 1.61 -2.07 -1.19 0.02 119.66 118.95 1uep s GLN 87 Ca 0.00 -1.11 -0.08 0.00 -1.82 0.00 0.00 55.36 52.34 1uep s GLN 87 Cb 0.00 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 1uep s GLN 87 CO 0.00 -0.55 0.27 0.54 -1.32 0.00 0.00 175.29 174.23 1uep s VAL 88 N -3.96 0.07 0.03 3.63 0.11 -0.31 -4.46 120.40 115.52 1uep s VAL 88 Ca 0.17 -1.43 0.06 0.00 -2.93 0.00 0.00 61.98 57.85 1uep s VAL 88 Cb 0.01 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 1uep s VAL 88 CO 0.02 -0.31 -0.18 0.21 -3.33 0.00 0.00 175.10 171.52 1uep s ASN 89 N -2.97 2.13 -0.31 3.54 3.84 -1.26 -1.14 114.94 118.76 1uep s ASN 89 Ca 0.18 -0.47 -0.02 0.00 0.21 0.00 0.00 52.86 52.75 1uep s ASN 89 Cb 0.04 -0.17 0.11 0.00 -0.55 0.00 0.00 41.25 40.67 1uep s ASN 89 CO 0.00 0.12 0.15 -0.76 -2.79 0.00 0.00 177.10 173.82 1uep s LEU 90 N -1.06 1.03 -0.39 3.21 1.43 0.43 -0.40 118.68 122.92 1uep s LEU 90 Ca 0.05 -1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 51.31 1uep s LEU 90 Cb -0.08 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1uep s LEU 90 CO 0.01 -0.40 0.84 -0.89 0.23 0.00 0.00 176.35 176.14 1uep s THR 91 N 1.72 4.64 0.35 5.49 2.01 -0.33 -0.84 115.64 128.68 1uep s THR 91 Ca 0.11 0.86 0.07 0.00 0.31 0.00 0.00 61.69 63.05 1uep s THR 91 Cb -0.18 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1uep s THR 91 CO -0.25 -0.57 0.33 0.68 -0.69 0.00 0.00 174.62 174.12 1uep s VAL 92 N 3.33 3.46 0.16 3.82 -7.23 -0.12 -0.57 120.40 123.24 1uep s VAL 92 Ca 0.34 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 1uep s VAL 92 Cb -0.12 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1uep s VAL 92 CO 0.20 -0.14 0.42 0.00 -0.31 0.00 0.00 175.10 175.26 1uep s ARG 93 N -4.05 1.19 -0.05 4.82 1.70 0.84 -0.27 118.95 123.14 1uep s ARG 93 Ca 0.43 -0.86 -0.15 0.00 -0.47 0.00 0.00 55.73 54.68 1uep s ARG 93 Cb -0.06 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1uep s ARG 93 CO 0.27 -0.47 0.35 1.03 -1.08 0.00 0.00 175.30 175.40 1uep s ARG 94 N -3.86 0.63 0.47 3.89 0.52 -0.73 -2.36 118.95 117.51 1uep s ARG 94 Ca 0.08 0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 55.09 1uep s ARG 94 Cb 0.01 0.28 -0.10 0.00 0.52 0.00 0.00 34.95 35.67 1uep s ARG 94 CO -0.07 -0.16 0.82 1.63 0.02 0.00 0.00 175.30 177.55 1uep n LYS 95 N 1.68 0.96 -4.27 3.54 5.02 -1.26 -1.26 118.16 122.56 1uep n LYS 95 Ca -0.19 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 1uep n LYS 95 Cb 0.56 -1.88 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uep s VAL 96 N -1.43 3.68 0.01 -0.18 1.01 -1.25 -4.84 120.40 117.40 1uep s VAL 96 Ca 0.66 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1uep s VAL 96 Cb -0.53 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1uep s VAL 96 CO 0.55 0.21 0.01 -0.11 0.00 0.00 0.00 175.10 175.76 1uep n LEU 97 N 0.96 0.00 -4.24 3.92 7.94 -1.26 -4.76 117.00 119.56 1uep n LEU 97 Ca -0.13 -0.05 -0.13 0.00 -1.11 0.00 0.00 56.01 54.59 1uep n LEU 97 Cb 0.52 0.04 -0.10 0.00 0.53 0.00 0.00 43.42 44.41 1uep n LEU 97 CO 0.34 -0.01 -0.28 -0.44 -1.11 0.00 0.00 177.39 175.90 1uep s SER 98 N -1.03 0.77 -0.47 1.96 0.01 -1.26 -5.14 113.70 108.55 1uep s SER 98 Ca 0.00 -1.30 0.03 0.00 1.31 0.00 0.00 55.95 56.00 1uep s SER 98 Cb -0.00 0.23 0.20 0.00 0.21 0.00 0.00 66.02 66.66 1uep s SER 98 CO 0.00 -0.72 0.82 -0.83 0.41 0.00 0.00 173.24 172.93 1uep s GLY 99 N -3.19 -1.43 0.18 3.44 0.00 -1.26 -5.04 107.32 100.02 1uep s GLY 99 Ca 0.32 -0.10 0.18 0.00 0.00 0.00 0.00 44.72 45.12 1uep s GLY 99 CO 0.09 3.83 1.54 -1.55 0.00 0.00 0.00 173.10 177.01 1uep n PRO 100 N 2.96 0.11 -2.21 2.90 -0.04 -1.26 -4.11 135.00 133.34 1uep n PRO 100 Ca 0.16 0.45 -0.40 0.00 -0.04 0.00 0.00 63.50 63.66 1uep n PRO 100 Cb 0.58 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1uep n PRO 100 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uep s SER 101 N -3.74 5.72 -0.29 3.54 0.01 -1.26 -4.96 113.70 112.72 1uep s SER 101 Ca 0.03 0.31 -0.41 0.00 1.31 0.00 0.00 55.95 57.18 1uep s SER 101 Cb 0.07 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.60 1uep s SER 101 CO 0.26 -2.03 1.66 -1.54 0.41 0.00 0.00 173.24 172.00 1uep n SER 102 N 11.07 2.00 -0.10 2.44 3.41 -1.26 -5.24 113.62 125.94 1uep n SER 102 Ca 0.16 1.11 0.16 0.00 -0.26 0.00 0.00 58.87 60.03 1uep n SER 102 Cb 0.50 -1.08 0.86 0.00 -0.26 0.00 0.00 64.21 64.24 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49