#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 0.00 -3.62 1.61 7.64 -1.26 -4.75 113.62 113.24 1uep n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1uep n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1uep n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uep n SER 3 N 3.46 4.23 0.00 6.43 7.64 -1.26 -4.78 113.62 129.35 1uep n SER 3 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1uep n SER 3 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 1uep n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 4 N 4.12 1.88 3.50 0.23 0.00 -1.26 -4.87 105.19 108.78 1uep n GLY 4 Ca 0.54 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1uep n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uep s SER 5 N -0.19 6.41 -1.10 1.61 0.15 -1.26 -4.95 113.70 114.37 1uep s SER 5 Ca 0.00 -1.35 -0.23 0.00 0.70 0.00 0.00 55.95 55.06 1uep s SER 5 Cb 0.00 -2.48 -0.12 0.00 -1.71 0.00 0.00 66.02 61.71 1uep s SER 5 CO 0.00 -1.42 1.94 -1.20 1.20 0.00 0.00 173.24 173.76 1uep n SER 6 N 8.01 2.81 0.00 5.45 7.64 -1.26 -4.54 113.62 131.73 1uep n SER 6 Ca 0.17 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1uep n SER 6 Cb 0.49 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 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 5.63 1.17 3.66 0.23 0.00 -1.26 -5.09 105.19 109.54 1uep n GLY 7 Ca 0.45 -0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.58 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 2.18 -2.99 1.61 0.18 -1.26 -4.63 117.16 112.24 1uep n TYR 8 Ca 0.00 0.25 -0.42 0.00 1.88 0.00 0.00 57.90 59.62 1uep n TYR 8 Cb 0.00 -2.55 -0.05 0.00 -0.38 0.00 0.00 39.34 36.36 1uep n TYR 8 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1uep s LYS 9 N 1.92 3.95 0.19 -3.48 2.36 -0.30 -4.91 119.74 119.48 1uep s LYS 9 Ca 0.85 0.51 -0.25 0.00 -2.55 0.00 0.00 55.97 54.53 1uep s LYS 9 Cb -0.74 -3.73 -0.08 0.00 -1.05 0.00 0.00 37.83 32.23 1uep s LYS 9 CO 0.45 -0.65 0.78 -1.21 1.55 0.00 0.00 175.35 176.27 1uep s GLU 10 N 2.86 4.53 -0.12 4.03 2.02 -1.26 -1.95 118.70 128.80 1uep s GLU 10 Ca 0.30 1.13 -0.02 0.00 0.02 0.00 0.00 54.97 56.41 1uep s GLU 10 Cb -0.14 -3.17 0.04 0.00 0.10 0.00 0.00 34.13 30.96 1uep s GLU 10 CO 0.12 0.52 -0.00 -0.48 0.02 0.00 0.00 175.26 175.44 1uep s LEU 11 N -1.35 0.93 0.31 1.80 2.34 0.50 -4.97 118.68 118.24 1uep s LEU 11 Ca 0.38 -0.38 -0.27 0.00 0.06 0.00 0.00 54.13 53.92 1uep s LEU 11 Cb -0.22 -0.58 -0.09 0.00 -0.56 0.00 0.00 46.19 44.74 1uep s LEU 11 CO 0.25 -0.22 0.98 1.51 -1.06 0.00 0.00 176.35 177.82 1uep s ASP 12 N 1.88 7.31 -0.20 1.48 1.47 -1.26 -0.88 116.67 126.46 1uep s ASP 12 Ca 0.03 1.95 -0.04 0.00 1.18 0.00 0.00 52.55 55.67 1uep s ASP 12 Cb -0.14 -2.59 0.07 0.00 -0.34 0.00 0.00 42.92 39.91 1uep s ASP 12 CO -0.07 -0.09 0.06 -0.69 0.68 0.00 0.00 175.17 175.07 1uep s VAL 13 N -1.46 0.30 -0.01 2.11 1.01 -0.06 -4.95 120.40 117.33 1uep s VAL 13 Ca 0.49 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1uep s VAL 13 Cb -0.23 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1uep s VAL 13 CO 0.28 -0.30 0.88 -2.28 0.00 0.00 0.00 175.10 173.69 1uep s HIS 14 N 1.95 3.65 -0.14 5.22 2.46 -1.26 -0.44 115.29 126.72 1uep s HIS 14 Ca 0.01 1.55 0.02 0.00 0.47 0.00 0.00 55.06 57.12 1uep s HIS 14 Cb -0.17 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.29 1uep s HIS 14 CO -0.11 0.05 -0.20 -0.51 -2.47 0.00 0.00 174.74 171.49 1uep s LEU 15 N 0.84 2.04 0.67 8.88 1.43 0.29 -4.99 118.68 127.84 1uep s LEU 15 Ca 0.47 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1uep s LEU 15 Cb -0.20 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1uep s LEU 15 CO 0.25 0.05 1.06 -0.13 0.23 0.00 0.00 176.35 177.81 1uep s ARG 16 N 0.96 2.99 -0.29 1.70 0.52 -1.26 -0.53 118.95 123.03 1uep s ARG 16 Ca -0.04 1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 56.20 1uep s ARG 16 Cb -0.15 -1.99 0.09 0.00 0.52 0.00 0.00 34.95 33.42 1uep s ARG 16 CO -0.04 -1.06 0.07 0.50 0.02 0.00 0.00 175.30 174.79 1uep s ARG 17 N -4.78 0.81 0.00 3.54 3.52 0.08 -4.51 118.95 117.63 1uep s ARG 17 Ca 0.60 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1uep s ARG 17 Cb -0.15 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1uep s ARG 17 CO 0.50 -0.90 0.10 0.00 -0.81 0.00 0.00 175.30 174.19 1uep n MET 18 N 4.83 0.00 0.00 5.12 0.00 -1.26 -4.61 117.12 121.20 1uep n MET 18 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.57 1uep n MET 18 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.54 1uep n MET 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1uep n GLU 19 N 0.00 0.00 0.00 3.17 2.13 -1.26 -4.95 120.64 119.73 1uep n GLU 19 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1uep n GLU 19 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.16 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1uep n SER 20 N -1.52 0.57 -0.43 4.31 7.64 -1.26 -5.14 113.62 117.79 1uep n SER 20 Ca 0.00 -0.79 0.06 0.00 1.01 0.00 0.00 58.87 59.15 1uep n SER 20 Cb 0.00 0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.96 -2.16 3.75 0.23 0.00 -1.26 -4.89 105.19 101.83 1uep n GLY 21 Ca 0.02 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 1uep n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uep s PHE 22 N -1.36 2.37 -0.39 1.61 0.08 -1.26 -4.09 117.98 114.94 1uep s PHE 22 Ca 0.00 1.42 0.12 0.00 0.12 0.00 0.00 56.93 58.59 1uep s PHE 22 Cb 0.00 -3.69 0.43 0.00 -0.57 0.00 0.00 43.02 39.19 1uep s PHE 22 CO 0.00 -2.62 1.00 0.41 -0.10 0.00 0.00 175.22 173.91 1uep n GLY 23 N 0.68 3.73 3.12 4.36 0.00 -1.26 -4.79 105.19 111.03 1uep n GLY 23 Ca 0.11 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.27 0.87 0.32 1.61 -0.71 -1.26 -0.90 117.98 114.63 1uep s PHE 24 Ca 0.38 -0.62 0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1uep s PHE 24 Cb 0.42 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1uep s PHE 24 CO -0.07 -0.06 0.14 0.50 -1.34 0.00 0.00 175.22 174.38 1uep s ARG 25 N -2.39 2.43 0.04 1.99 3.52 0.52 -4.96 118.95 120.10 1uep s ARG 25 Ca -0.01 -1.47 0.02 0.00 -0.13 0.00 0.00 55.73 54.14 1uep s ARG 25 Cb -0.05 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1uep s ARG 25 CO -0.01 0.17 -0.07 0.96 -0.81 0.00 0.00 175.30 175.54 1uep s ILE 26 N -2.38 0.49 0.29 4.11 -4.36 -1.26 -0.24 121.20 117.85 1uep s ILE 26 Ca 0.37 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.72 1uep s ILE 26 Cb -0.04 -0.59 -0.02 0.00 1.25 0.00 0.00 42.46 43.06 1uep s ILE 26 CO 0.23 -0.41 0.15 0.18 0.24 0.00 0.00 174.94 175.33 1uep n LEU 27 N 1.44 0.00 0.00 0.37 4.77 -1.22 -4.69 117.00 117.66 1uep n LEU 27 Ca -0.23 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1uep n LEU 27 Cb 0.55 0.99 0.00 0.00 -2.33 0.00 0.00 43.42 42.63 1uep n LEU 27 CO 0.21 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1uep n GLY 28 N -0.24 1.98 2.11 -0.72 0.00 -1.26 -4.37 105.19 102.68 1uep n GLY 28 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 0.48 0.24 -0.02 0.00 -1.26 -4.55 105.19 100.07 1uep n GLY 29 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 -3.11 1.61 3.58 -1.95 0.16 116.42 116.71 1uep h ASP 30 Ca -0.25 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.60 1uep h ASP 30 Cb 0.93 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.81 1uep h ASP 30 CO 0.34 0.20 -0.79 -1.61 -2.88 0.00 0.00 179.24 174.49 1uep s GLU 31 N -4.02 1.47 0.20 0.28 0.41 -1.26 -4.95 118.70 110.82 1uep s GLU 31 Ca -0.02 -1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 52.70 1uep s GLU 31 Cb 0.12 -1.64 -0.09 0.00 -1.78 0.00 0.00 34.13 30.74 1uep s GLU 31 CO 0.62 0.34 1.41 -1.25 -0.49 0.00 0.00 175.26 175.89 1uep s PRO 32 N -2.91 4.30 -1.10 0.39 0.05 -1.26 -3.13 135.00 131.33 1uep s PRO 32 Ca 0.21 2.20 0.00 0.00 0.05 0.00 0.00 61.00 63.46 1uep s PRO 32 Cb -0.06 -3.17 0.00 0.00 0.05 0.00 0.00 34.50 31.32 1uep s PRO 32 CO 0.10 -0.41 0.00 0.41 0.05 0.00 0.00 177.00 177.15 1uep n GLY 33 N 2.74 1.17 3.78 0.56 0.00 -0.74 -4.89 105.19 107.81 1uep n GLY 33 Ca 0.09 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.81 2.18 -0.13 1.61 -1.52 -1.18 -4.67 119.66 113.13 1uep s GLN 34 Ca 0.00 0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 54.01 1uep s GLN 34 Cb 0.00 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 1uep s GLN 34 CO 0.00 -1.62 1.47 -1.25 -0.25 0.00 0.00 175.29 173.64 1uep s PRO 35 N -5.02 4.15 -0.70 2.91 0.04 -1.26 -4.84 135.00 130.29 1uep s PRO 35 Ca 0.61 1.87 -0.21 0.00 0.04 0.00 0.00 61.00 63.31 1uep s PRO 35 Cb -0.16 -3.89 0.10 0.00 0.04 0.00 0.00 34.50 30.58 1uep s PRO 35 CO 0.55 -0.85 0.92 0.42 0.04 0.00 0.00 177.00 178.09 1uep s ILE 36 N 3.95 4.57 0.39 0.56 1.01 -1.26 -4.51 121.20 125.91 1uep s ILE 36 Ca 0.65 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 1uep s ILE 36 Cb -0.27 -4.65 -0.09 0.00 0.01 0.00 0.00 42.46 37.47 1uep s ILE 36 CO 0.23 -1.37 0.83 -0.76 0.00 0.00 0.00 174.94 173.87 1uep s LEU 37 N 3.32 3.91 -0.02 2.97 1.43 -1.26 -0.24 118.68 128.79 1uep s LEU 37 Ca 0.21 1.38 -0.34 0.00 -1.03 0.00 0.00 54.13 54.36 1uep s LEU 37 Cb -0.16 -4.23 -0.12 0.00 0.03 0.00 0.00 46.19 41.71 1uep s LEU 37 CO 0.05 -0.34 1.83 -0.38 0.23 0.00 0.00 176.35 177.74 1uep n ILE 38 N -0.83 0.48 0.24 -0.59 2.08 0.44 -3.45 119.36 117.73 1uep n ILE 38 Ca 0.04 -0.09 -0.10 0.00 0.56 0.00 0.00 62.75 63.17 1uep n ILE 38 Cb 0.54 -1.87 -0.05 0.00 -0.75 0.00 0.00 39.64 37.51 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 8.69 -0.67 -5.10 7.39 0.00 -0.89 -3.11 103.07 109.38 1uep h GLY 39 Ca -0.48 0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1uep h GLY 39 CO 0.94 -0.24 0.04 0.00 0.00 0.00 0.00 176.54 177.28 1uep s ALA 40 N -4.28 -1.94 -0.06 3.60 0.00 -1.00 -4.76 121.76 113.31 1uep s ALA 40 Ca -0.09 2.40 -0.28 0.00 0.00 0.00 0.00 51.96 53.98 1uep s ALA 40 Cb 0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1uep s ALA 40 CO 0.28 -0.43 0.92 0.14 0.00 0.00 0.00 175.76 176.66 1uep s VAL 41 N 1.74 4.88 0.18 0.00 -7.23 -1.26 -0.35 120.40 118.35 1uep s VAL 41 Ca -0.09 1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 61.66 1uep s VAL 41 Cb -0.06 -4.24 -0.09 0.00 0.56 0.00 0.00 36.38 32.55 1uep s VAL 41 CO -0.19 0.12 1.38 -0.63 -0.31 0.00 0.00 175.10 175.46 1uep s ILE 42 N 1.38 3.08 0.50 -0.62 -1.09 -0.08 -4.91 121.20 119.46 1uep s ILE 42 Ca 0.47 0.85 0.18 0.00 -2.23 0.00 0.00 60.65 59.92 1uep s ILE 42 Cb -0.19 -3.54 0.32 0.00 -1.58 0.00 0.00 42.46 37.47 1uep s ILE 42 CO 0.22 0.11 2.07 0.00 -1.23 0.00 0.00 174.94 176.10 1uep h ALA 43 N 5.82 2.15 -1.77 9.38 0.00 -1.96 -1.33 119.26 131.56 1uep h ALA 43 Ca -0.44 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 1uep h ALA 43 Cb 1.21 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 1uep h ALA 43 CO 0.81 -0.22 -0.86 -1.33 0.00 0.00 0.00 179.25 177.65 1uep n MET 44 N -4.47 2.56 -4.07 0.00 2.81 -1.26 -4.79 117.12 107.89 1uep n MET 44 Ca 0.04 -4.22 -0.24 0.00 -1.81 0.00 0.00 57.70 51.46 1uep n MET 44 Cb 0.30 -1.98 -0.07 0.00 -0.71 0.00 0.00 33.22 30.76 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 -3.26 2.28 0.00 3.03 0.00 -0.50 -5.03 107.32 103.84 1uep s GLY 45 Ca 0.43 -2.06 0.11 0.00 0.00 0.00 0.00 44.72 43.20 1uep s GLY 45 CO -0.12 -1.88 1.27 -1.26 0.00 0.00 0.00 173.10 171.12 1uep n SER 46 N -1.25 0.00 -0.08 1.64 2.88 -1.26 -2.83 113.62 112.73 1uep n SER 46 Ca -0.01 0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 57.68 1uep n SER 46 Cb 0.64 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 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 2.47 0.07 -0.39 -1.46 0.00 -1.87 -3.29 119.26 114.79 1uep h ALA 47 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1uep h ALA 47 Cb 0.13 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1uep h ALA 47 CO 0.00 0.44 0.24 0.22 0.00 0.00 0.00 179.25 180.15 1uep h ASP 48 N -1.00 0.46 0.00 0.00 3.58 -1.75 -1.20 116.42 116.51 1uep h ASP 48 Ca -0.10 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1uep h ASP 48 Cb 0.68 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1uep h ASP 48 CO -0.06 0.37 0.01 0.08 -2.88 0.00 0.00 179.24 176.75 1uep h ARG 49 N 0.52 0.00 0.00 0.28 -0.00 -1.74 -1.57 114.38 111.87 1uep h ARG 49 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 1uep h ARG 49 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1uep h ARG 49 CO -0.03 0.00 -1.41 -3.47 -0.00 0.00 0.00 179.97 175.06 1uep n ASP 50 N -2.91 0.45 -2.04 0.08 2.03 -0.52 -5.03 116.55 108.61 1uep n ASP 50 Ca -0.03 -0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.13 1uep n ASP 50 Cb 0.07 1.21 0.04 0.00 -0.72 0.00 0.00 41.12 41.72 1uep n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uep n GLY 51 N 1.29 0.16 1.42 0.27 0.00 -0.59 -4.93 105.19 102.80 1uep n GLY 51 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.52 0.00 -2.49 1.61 1.74 -1.26 -5.10 116.66 108.64 1uep n ARG 52 Ca -0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.66 1uep n ARG 52 Cb 0.56 -0.24 -0.03 0.00 -1.02 0.00 0.00 32.46 31.72 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 -5.08 3.96 0.02 0.55 1.43 -1.26 -5.07 118.68 113.23 1uep s LEU 53 Ca 0.00 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1uep s LEU 53 Cb 0.00 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 1uep s LEU 53 CO 0.00 -0.73 -0.03 -1.00 0.23 0.00 0.00 176.35 174.82 1uep s HIS 54 N -1.80 0.25 -0.91 0.29 3.76 -1.26 -4.63 115.29 110.98 1uep s HIS 54 Ca 0.64 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.86 1uep s HIS 54 Cb -0.20 -0.17 0.02 0.00 1.11 0.00 0.00 32.58 33.33 1uep s HIS 54 CO 0.25 -0.16 1.56 -1.25 -0.85 0.00 0.00 174.74 174.29 1uep s PRO 55 N -1.25 3.21 0.00 8.40 0.04 -1.26 -2.76 135.00 141.39 1uep s PRO 55 Ca -0.13 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.26 1uep s PRO 55 Cb -0.09 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1uep s PRO 55 CO -0.01 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 174.94 1uep n GLY 56 N 6.52 0.45 3.72 0.56 0.00 -1.18 -4.99 105.19 110.27 1uep n GLY 56 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 4.18 -0.14 1.61 1.11 -1.11 -4.59 116.67 117.72 1uep s ASP 57 Ca 0.00 2.36 -0.13 0.00 0.18 0.00 0.00 52.55 54.96 1uep s ASP 57 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 1uep s ASP 57 CO 0.00 -2.27 0.29 -0.70 1.18 0.00 0.00 175.17 173.66 1uep s GLU 58 N -3.91 4.16 0.54 8.23 -6.30 -1.06 -0.42 118.70 119.94 1uep s GLU 58 Ca 0.74 0.10 -0.15 0.00 -2.50 0.00 0.00 54.97 53.16 1uep s GLU 58 Cb -0.29 -3.39 -0.07 0.00 0.00 0.00 0.00 34.13 30.38 1uep s GLU 58 CO 0.45 0.32 1.00 -0.51 0.02 0.00 0.00 175.26 176.55 1uep s LEU 59 N 0.21 3.52 0.04 2.70 1.43 0.66 -0.05 118.68 127.19 1uep s LEU 59 Ca 0.17 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1uep s LEU 59 Cb -0.13 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1uep s LEU 59 CO 0.05 -0.68 0.00 0.52 0.23 0.00 0.00 176.35 176.47 1uep n VAL 60 N -1.88 0.06 -4.22 -1.59 0.31 0.57 -4.65 118.33 106.93 1uep n VAL 60 Ca 0.06 0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.24 1uep n VAL 60 Cb 0.54 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.96 -0.13 3.52 2.02 -0.83 -1.40 117.35 119.50 1uep s TYR 61 Ca 0.00 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1uep s TYR 61 Cb 0.00 -0.57 0.06 0.00 -0.40 0.00 0.00 41.96 41.05 1uep s TYR 61 CO 0.00 -0.00 0.18 0.08 -1.57 0.00 0.00 175.55 174.24 1uep s VAL 62 N -0.96 -0.27 -1.81 0.71 1.01 -0.09 -1.16 120.40 117.83 1uep s VAL 62 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1uep s VAL 62 Cb -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1uep s VAL 62 CO 0.01 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.45 1uep n ASP 63 N 5.32 -5.22 0.00 3.32 2.03 0.78 -1.17 116.55 121.61 1uep n ASP 63 Ca -0.05 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1uep n ASP 63 Cb 0.50 -4.50 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 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 -0.66 0.69 3.70 0.27 0.00 -1.24 -4.85 105.19 103.10 1uep n GLY 64 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.06 5.00 0.07 -0.61 -1.09 -0.32 -4.98 121.20 116.22 1uep s ILE 65 Ca 0.00 1.47 -0.31 0.00 -2.23 0.00 0.00 60.65 59.58 1uep s ILE 65 Cb 0.00 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1uep s ILE 65 CO 0.00 0.18 1.39 -2.16 -1.23 0.00 0.00 174.94 173.12 1uep s PRO 66 N 1.27 4.31 0.00 2.79 0.04 -1.26 -0.91 135.00 141.24 1uep s PRO 66 Ca 0.37 2.03 0.26 0.00 0.04 0.00 0.00 61.00 63.70 1uep s PRO 66 Cb -0.17 -3.37 0.68 0.00 0.04 0.00 0.00 34.50 31.67 1uep s PRO 66 CO 0.16 -0.47 1.52 1.33 0.04 0.00 0.00 177.00 179.57 1uep n VAL 67 N 4.19 0.00 -2.25 -0.36 0.24 -0.49 -4.86 118.33 114.80 1uep n VAL 67 Ca 0.12 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.34 61.87 1uep n VAL 67 Cb 0.43 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 -2.37 2.76 0.00 2.33 0.00 -1.26 -2.41 121.76 120.82 1uep s ALA 68 Ca 0.27 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1uep s ALA 68 Cb 0.19 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1uep s ALA 68 CO 0.48 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1uep n GLY 69 N 0.24 1.20 3.77 0.00 0.00 -1.26 -4.88 105.19 104.26 1uep n GLY 69 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.43 0.43 1.61 -0.14 -1.01 -1.79 119.74 119.26 1uep s LYS 70 Ca 0.00 0.05 0.06 0.00 -1.36 0.00 0.00 55.97 54.72 1uep s LYS 70 Cb 0.00 -1.78 0.06 0.00 -1.68 0.00 0.00 37.83 34.43 1uep s LYS 70 CO 0.00 -2.63 0.49 0.25 -0.76 0.00 0.00 175.35 172.70 1uep n THR 71 N -4.02 0.00 0.25 2.17 -2.24 -1.26 -2.13 114.28 107.05 1uep n THR 71 Ca 0.10 -1.54 -0.16 0.00 -2.27 0.00 0.00 64.05 60.18 1uep n THR 71 Cb 0.59 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.29 -0.67 -0.71 4.78 -0.00 -0.92 -3.18 115.15 114.73 1uep h HIS 72 Ca -0.23 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.23 1uep h HIS 72 Cb 0.96 0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 28.56 1uep h HIS 72 CO 0.00 -0.40 0.47 -0.09 -0.00 0.00 0.00 177.93 177.92 1uep h ARG 73 N -0.65 0.57 -0.64 5.26 2.43 -1.93 0.15 114.38 119.58 1uep h ARG 73 Ca -0.05 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1uep h ARG 73 Cb 0.53 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 1uep h ARG 73 CO 0.05 0.37 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.79 1uep h TYR 74 N 0.58 -0.39 -0.12 2.20 3.20 -1.94 -1.03 116.97 119.47 1uep h TYR 74 Ca 0.33 0.06 -0.18 0.00 3.14 0.00 0.00 58.73 62.08 1uep h TYR 74 Cb 0.51 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1uep h TYR 74 CO -0.00 -0.29 -0.66 0.28 -1.64 0.00 0.00 178.16 175.85 1uep h VAL 75 N -0.02 1.35 0.00 1.81 2.07 -0.80 -2.81 116.25 117.85 1uep h VAL 75 Ca 0.30 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1uep h VAL 75 Cb 0.48 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1uep h VAL 75 CO -0.66 0.61 -0.21 0.40 0.02 0.00 0.00 177.57 177.72 1uep h ILE 76 N 0.35 0.94 -0.32 4.57 1.08 -0.35 0.33 117.51 124.11 1uep h ILE 76 Ca -0.02 -0.78 -0.15 0.00 -0.39 0.00 0.00 64.86 63.53 1uep h ILE 76 Cb 1.23 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1uep h ILE 76 CO 0.12 0.21 -0.37 -0.78 -0.69 0.00 0.00 178.15 176.64 1uep h ASP 77 N 0.00 0.88 0.18 1.72 1.82 -1.15 -2.84 116.42 117.03 1uep h ASP 77 Ca -0.00 -0.48 -0.07 0.00 -0.39 0.00 0.00 57.03 56.09 1uep h ASP 77 Cb 0.43 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1uep h ASP 77 CO 0.03 1.19 -0.26 -0.07 -1.61 0.00 0.00 179.24 178.52 1uep h LEU 78 N 0.59 0.14 -0.87 2.28 3.38 -0.91 -1.61 115.31 118.31 1uep h LEU 78 Ca 0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1uep h LEU 78 Cb 0.96 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1uep h LEU 78 CO 0.09 0.40 -0.28 0.24 0.09 0.00 0.00 178.44 178.98 1uep h MET 79 N 0.13 0.52 0.87 1.13 2.86 -0.40 -0.13 114.93 119.91 1uep h MET 79 Ca 0.02 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1uep h MET 79 Cb 0.53 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1uep h MET 79 CO 0.04 0.75 -0.42 0.45 1.06 0.00 0.00 176.91 178.78 1uep h HIS 80 N 0.45 -1.09 -0.21 -0.22 3.86 -1.18 -2.93 115.15 113.84 1uep h HIS 80 Ca 0.06 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1uep h HIS 80 Cb 0.72 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1uep h HIS 80 CO 0.03 -0.68 0.00 0.45 0.86 0.00 0.00 177.93 178.59 1uep h HIS 81 N -1.28 -0.00 -0.36 2.45 -0.00 -1.23 -2.80 115.15 111.92 1uep h HIS 81 Ca -0.12 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 1uep h HIS 81 Cb 0.90 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 1uep h HIS 81 CO 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 177.93 177.88 1uep h ALA 82 N 1.17 1.29 0.00 2.45 0.00 -1.13 0.26 119.26 123.31 1uep h ALA 82 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uep h ALA 82 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uep h ALA 82 CO -0.16 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1uep h ALA 83 N 1.44 1.00 0.18 0.00 0.00 -1.30 -0.00 119.26 120.58 1uep h ALA 83 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1uep h ALA 83 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1uep h ALA 83 CO 0.02 0.00 -1.20 0.00 0.00 0.00 0.00 179.25 178.06 1uep h ARG 84 N 0.00 0.38 0.00 0.00 3.08 -0.86 -3.33 114.38 113.65 1uep h ARG 84 Ca 0.00 -0.65 -0.00 0.00 0.07 0.00 0.00 59.98 59.40 1uep h ARG 84 Cb 0.29 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1uep h ARG 84 CO 0.00 1.31 -0.00 -0.91 -1.07 0.00 0.00 179.97 179.30 1uep h ASN 85 N -0.16 0.00 0.00 7.04 2.35 -0.28 -3.45 115.58 121.08 1uep h ASN 85 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1uep h ASN 85 Cb 1.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1uep h ASN 85 CO 0.18 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.57 1uep n GLY 86 N -0.97 0.61 3.69 2.83 0.00 -0.10 -4.98 105.19 106.26 1uep n GLY 86 Ca -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.45 0.99 -0.01 1.61 -2.07 -1.18 -0.74 119.66 117.82 1uep s GLN 87 Ca 0.00 -0.52 -0.16 0.00 -1.82 0.00 0.00 55.36 52.87 1uep s GLN 87 Cb 0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1uep s GLN 87 CO 0.00 -0.45 0.33 0.54 -1.32 0.00 0.00 175.29 174.39 1uep s VAL 88 N -3.11 0.06 -0.20 3.63 0.11 0.31 -4.56 120.40 116.63 1uep s VAL 88 Ca 0.11 -0.48 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 1uep s VAL 88 Cb -0.00 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1uep s VAL 88 CO -0.01 -0.26 0.05 0.20 -3.33 0.00 0.00 175.10 171.75 1uep s ASN 89 N -1.44 5.33 -0.34 3.54 0.01 -1.26 -0.55 114.94 120.24 1uep s ASN 89 Ca -0.12 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1uep s ASN 89 Cb -0.04 -1.93 0.10 0.00 0.41 0.00 0.00 41.25 39.79 1uep s ASN 89 CO 0.03 0.09 0.08 -0.76 -1.51 0.00 0.00 177.10 175.04 1uep s LEU 90 N 0.86 3.77 -0.32 0.60 1.43 0.41 -0.16 118.68 125.27 1uep s LEU 90 Ca 0.03 -2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 50.88 1uep s LEU 90 Cb -0.14 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1uep s LEU 90 CO 0.02 -0.38 0.76 -0.89 0.23 0.00 0.00 176.35 176.09 1uep s THR 91 N 1.09 4.81 0.42 5.49 2.01 -0.31 -0.88 115.64 128.27 1uep s THR 91 Ca 0.11 1.06 0.08 0.00 0.31 0.00 0.00 61.69 63.25 1uep s THR 91 Cb -0.19 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1uep s THR 91 CO -0.14 -0.26 0.51 0.68 -0.69 0.00 0.00 174.62 174.73 1uep s VAL 92 N 2.91 2.94 0.23 3.82 -7.23 -0.06 -0.32 120.40 122.69 1uep s VAL 92 Ca 0.31 -1.09 -0.15 0.00 -1.81 0.00 0.00 61.98 59.24 1uep s VAL 92 Cb -0.14 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 33.79 1uep s VAL 92 CO 0.13 -0.01 0.49 0.00 -0.31 0.00 0.00 175.10 175.41 1uep s ARG 93 N -4.29 1.48 -0.03 4.82 1.70 0.93 -0.37 118.95 123.20 1uep s ARG 93 Ca 0.53 -1.11 -0.15 0.00 -0.47 0.00 0.00 55.73 54.53 1uep s ARG 93 Cb -0.08 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1uep s ARG 93 CO 0.32 -0.62 0.33 1.03 -1.08 0.00 0.00 175.30 175.28 1uep s ARG 94 N -3.96 0.67 0.81 3.89 3.00 -0.82 -2.56 118.95 119.97 1uep s ARG 94 Ca 0.17 -0.11 -0.15 0.00 0.00 0.00 0.00 55.73 55.64 1uep s ARG 94 Cb -0.01 0.30 0.01 0.00 0.00 0.00 0.00 34.95 35.25 1uep s ARG 94 CO 0.05 -0.18 0.61 1.17 0.00 0.00 0.00 175.30 176.95 1uep n LYS 95 N 1.40 0.11 -3.80 3.54 4.81 -1.26 -1.15 118.16 121.81 1uep n LYS 95 Ca -0.21 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.19 1uep n LYS 95 Cb 0.56 -1.95 -0.10 0.00 0.02 0.00 0.00 35.03 33.56 1uep n LYS 95 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1uep s VAL 96 N -2.09 0.05 0.00 3.15 0.11 -1.26 -4.77 120.40 115.58 1uep s VAL 96 Ca 0.64 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1uep s VAL 96 Cb -0.30 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1uep s VAL 96 CO 0.60 -0.21 0.00 -0.11 -3.33 0.00 0.00 175.10 172.05 1uep n LEU 97 N 1.87 0.00 0.00 2.54 0.00 -1.26 -4.58 117.00 115.57 1uep n LEU 97 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1uep n LEU 97 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 43.42 44.00 1uep n LEU 97 CO 0.20 -0.01 0.00 -1.20 0.00 0.00 0.00 177.39 176.38 1uep n SER 98 N -1.51 -0.90 -3.66 1.96 7.64 -1.26 -4.90 113.62 110.99 1uep n SER 98 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1uep n SER 98 Cb 0.00 -1.62 -0.18 0.00 -1.01 0.00 0.00 64.21 61.40 1uep n SER 98 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uep s GLY 99 N -2.00 0.21 0.88 0.23 0.00 -1.26 -5.15 107.32 100.23 1uep s GLY 99 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 1uep s GLY 99 CO 0.00 1.45 1.09 2.56 0.00 0.00 0.00 173.10 178.21 1uep s PRO 100 N 2.18 1.37 0.15 2.90 0.04 -1.26 -5.09 135.00 135.29 1uep s PRO 100 Ca 0.05 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 1uep s PRO 100 Cb -0.12 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1uep s PRO 100 CO -0.04 -2.22 0.12 0.45 0.04 0.00 0.00 177.00 175.36 1uep s SER 101 N -3.26 0.22 -0.24 6.66 0.15 -1.26 -5.16 113.70 110.82 1uep s SER 101 Ca 0.63 -1.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.10 1uep s SER 101 Cb -0.19 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.59 1uep s SER 101 CO 0.57 -0.79 0.33 -0.94 1.20 0.00 0.00 173.24 173.61 1uep s SER 102 N -3.05 0.64 0.00 5.45 1.04 -1.26 -5.29 113.70 111.24 1uep s SER 102 Ca 0.25 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1uep s SER 102 Cb 0.06 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1uep s SER 102 CO 0.03 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.55