#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 -3.50 1.61 7.64 -1.26 -4.53 113.62 113.57 1uep n SER 2 Ca 0.00 0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.70 1uep n SER 2 Cb 0.00 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.58 4.84 0.00 6.43 7.64 -1.26 -4.42 113.62 125.28 1uep n SER 3 Ca 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1uep n SER 3 Cb 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 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 4.03 0.45 3.57 0.23 0.00 -1.26 -5.04 105.19 107.17 1uep n GLY 4 Ca 0.56 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 46.47 1uep n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uep s SER 5 N 0.00 5.55 -0.89 1.61 0.01 -1.26 -4.46 113.70 114.25 1uep s SER 5 Ca 0.00 0.58 -0.08 0.00 1.31 0.00 0.00 55.95 57.76 1uep s SER 5 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1uep s SER 5 CO 0.00 -2.12 0.59 -1.20 0.41 0.00 0.00 173.24 170.93 1uep n SER 6 N 11.69 -4.44 0.00 2.44 7.64 -1.26 -4.97 113.62 124.73 1uep n SER 6 Ca 0.20 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1uep n SER 6 Cb 0.50 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 -1.72 0.98 3.65 0.23 0.00 -1.26 -4.98 105.19 102.09 1uep n GLY 7 Ca -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.30 0.66 -4.97 1.61 0.18 -1.26 -4.03 117.16 109.05 1uep n TYR 8 Ca 0.00 0.37 -0.28 0.00 1.88 0.00 0.00 57.90 59.87 1uep n TYR 8 Cb 0.00 -1.98 -0.15 0.00 -0.38 0.00 0.00 39.34 36.83 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 -4.58 1.73 0.55 -3.48 2.20 -0.77 -4.88 119.74 110.50 1uep s LYS 9 Ca 0.67 -0.90 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1uep s LYS 9 Cb -0.23 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 1uep s LYS 9 CO 0.59 0.47 0.92 -1.21 -0.36 0.00 0.00 175.35 175.75 1uep s GLU 10 N -0.82 3.60 0.02 4.03 2.02 -1.26 -1.65 118.70 124.63 1uep s GLU 10 Ca 0.09 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1uep s GLU 10 Cb -0.09 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1uep s GLU 10 CO 0.00 -0.38 -0.03 -0.51 0.02 0.00 0.00 175.26 174.36 1uep s LEU 11 N -4.89 2.17 -0.12 1.80 1.02 0.31 -4.93 118.68 114.04 1uep s LEU 11 Ca 0.52 -0.35 -0.05 0.00 0.02 0.00 0.00 54.13 54.27 1uep s LEU 11 Cb -0.11 0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.10 1uep s LEU 11 CO 0.48 -0.19 0.09 1.51 0.02 0.00 0.00 176.35 178.26 1uep s ASP 12 N -1.01 5.97 -0.21 2.29 -4.77 -1.26 -0.79 116.67 116.89 1uep s ASP 12 Ca -0.10 0.33 -0.04 0.00 -3.30 0.00 0.00 52.55 49.44 1uep s ASP 12 Cb -0.07 -1.88 0.07 0.00 -1.09 0.00 0.00 42.92 39.96 1uep s ASP 12 CO -0.01 0.38 0.08 -0.69 0.70 0.00 0.00 175.17 175.63 1uep s VAL 13 N -0.85 0.20 -0.12 2.11 1.01 -0.79 -4.99 120.40 116.97 1uep s VAL 13 Ca 0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1uep s VAL 13 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1uep s VAL 13 CO 0.03 -0.37 0.13 -2.28 0.00 0.00 0.00 175.10 172.61 1uep s HIS 14 N 2.00 3.55 0.05 5.22 5.04 -1.26 -0.56 115.29 129.32 1uep s HIS 14 Ca 0.03 0.48 0.03 0.00 -1.54 0.00 0.00 55.06 54.06 1uep s HIS 14 Cb -0.16 -1.94 -0.03 0.00 0.04 0.00 0.00 32.58 30.49 1uep s HIS 14 CO -0.15 0.68 -0.09 -0.51 -2.34 0.00 0.00 174.74 172.33 1uep s LEU 15 N -0.92 2.26 0.12 8.88 1.43 0.11 -4.99 118.68 125.57 1uep s LEU 15 Ca 0.14 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1uep s LEU 15 Cb -0.12 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1uep s LEU 15 CO 0.03 -0.18 0.31 -0.13 0.23 0.00 0.00 176.35 176.62 1uep s ARG 16 N -1.61 3.52 -0.60 1.70 3.00 -1.26 -0.77 118.95 122.92 1uep s ARG 16 Ca -0.08 -0.31 0.05 0.00 0.00 0.00 0.00 55.73 55.39 1uep s ARG 16 Cb -0.10 -2.93 0.19 0.00 0.00 0.00 0.00 34.95 32.12 1uep s ARG 16 CO 0.01 0.51 0.52 -2.13 0.00 0.00 0.00 175.30 174.22 1uep n ARG 17 N -0.03 1.56 -0.17 3.54 0.63 0.19 -4.32 116.66 118.05 1uep n ARG 17 Ca -0.04 -4.15 0.00 0.00 -0.92 0.00 0.00 57.85 52.74 1uep n ARG 17 Cb 0.52 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.37 1uep n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uep n MET 18 N 1.83 0.00 0.00 -0.14 0.00 -1.26 -4.66 117.12 112.89 1uep n MET 18 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 57.70 57.39 1uep n MET 18 Cb 0.41 -0.41 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1uep n MET 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1uep n GLU 19 N 0.00 0.00 0.15 3.17 1.02 -1.26 -5.00 120.64 118.72 1uep n GLU 19 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1uep n GLU 19 Cb 0.56 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.35 1uep n GLU 19 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1uep h SER 20 N 0.00 0.12 -3.48 1.62 4.64 -1.98 -3.49 113.55 110.99 1uep h SER 20 Ca 0.00 -0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1uep h SER 20 Cb 0.00 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1uep h SER 20 CO 0.00 0.39 -0.15 0.61 -0.87 0.00 0.00 176.83 176.81 1uep n GLY 21 N -0.66 -2.00 3.77 -0.77 0.00 -1.26 -4.95 105.19 99.32 1uep n GLY 21 Ca -0.01 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.08 2.63 -0.40 1.61 0.08 -1.26 -4.35 117.98 115.21 1uep s PHE 22 Ca 0.00 1.55 0.10 0.00 0.12 0.00 0.00 56.93 58.70 1uep s PHE 22 Cb 0.00 -3.16 0.31 0.00 -0.57 0.00 0.00 43.02 39.60 1uep s PHE 22 CO 0.00 -1.68 0.75 0.41 -0.10 0.00 0.00 175.22 174.60 1uep n GLY 23 N -0.57 2.67 3.44 4.36 0.00 -1.26 -4.86 105.19 108.96 1uep n GLY 23 Ca 0.10 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.45 1.92 0.30 1.61 -0.71 -1.26 -2.62 117.98 115.76 1uep s PHE 24 Ca 0.35 -0.99 0.09 0.00 -1.04 0.00 0.00 56.93 55.34 1uep s PHE 24 Cb 0.29 -1.24 -0.06 0.00 -1.21 0.00 0.00 43.02 40.80 1uep s PHE 24 CO -0.10 -0.04 -0.11 0.50 -1.34 0.00 0.00 175.22 174.13 1uep s ARG 25 N -3.90 1.67 -0.05 1.99 3.52 -0.37 -4.98 118.95 116.83 1uep s ARG 25 Ca 0.36 -1.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.17 1uep s ARG 25 Cb 0.08 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 1uep s ARG 25 CO 0.15 0.16 -0.16 0.96 -0.81 0.00 0.00 175.30 175.60 1uep s ILE 26 N -2.73 1.40 -0.07 4.11 -4.36 -1.26 -0.37 121.20 117.92 1uep s ILE 26 Ca 0.30 -0.68 -0.03 0.00 -0.26 0.00 0.00 60.65 59.98 1uep s ILE 26 Cb 0.01 -1.22 0.04 0.00 1.25 0.00 0.00 42.46 42.54 1uep s ILE 26 CO 0.14 0.41 0.14 -0.76 0.24 0.00 0.00 174.94 175.11 1uep s LEU 27 N 0.21 0.10 0.00 0.37 1.43 -0.76 -4.56 118.68 115.47 1uep s LEU 27 Ca -0.08 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1uep s LEU 27 Cb -0.13 0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.31 1uep s LEU 27 CO 0.03 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1uep n GLY 28 N 5.13 1.01 2.30 -3.19 0.00 -1.26 -2.80 105.19 106.38 1uep n GLY 28 Ca -0.08 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.28 -0.26 0.30 -0.02 0.00 -1.22 -4.02 105.19 98.69 1uep n GLY 29 Ca 0.00 -0.23 0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.02 1.61 3.58 -1.91 0.58 116.42 116.26 1uep h ASP 30 Ca -0.37 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 56.67 1uep h ASP 30 Cb 1.27 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.14 1uep h ASP 30 CO 0.44 0.01 -0.75 -1.61 -2.88 0.00 0.00 179.24 174.45 1uep s GLU 31 N -3.87 1.03 -1.17 0.28 0.41 -1.26 -4.85 118.70 109.28 1uep s GLU 31 Ca -0.01 -1.27 -0.22 0.00 -0.41 0.00 0.00 54.97 53.06 1uep s GLU 31 Cb 0.11 -0.88 -0.04 0.00 -1.78 0.00 0.00 34.13 31.54 1uep s GLU 31 CO 0.50 0.16 1.87 -1.25 -0.49 0.00 0.00 175.26 176.06 1uep s PRO 32 N -2.80 2.87 0.00 0.39 0.04 -1.26 -1.95 135.00 132.29 1uep s PRO 32 Ca 0.10 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.91 1uep s PRO 32 Cb -0.04 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1uep s PRO 32 CO 0.03 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 174.02 1uep n GLY 33 N 5.90 0.48 3.74 0.56 0.00 -1.22 -4.66 105.19 110.00 1uep n GLY 33 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 2.22 -0.31 1.61 -1.52 -0.82 -4.72 119.66 116.12 1uep s GLN 34 Ca 0.00 1.42 -0.29 0.00 -1.95 0.00 0.00 55.36 54.54 1uep s GLN 34 Cb 0.00 -1.88 -0.01 0.00 -0.22 0.00 0.00 33.01 30.91 1uep s GLN 34 CO 0.00 -1.71 1.49 -1.25 -0.25 0.00 0.00 175.29 173.57 1uep s PRO 35 N -4.39 3.72 -0.57 2.91 0.04 -1.26 -3.70 135.00 131.74 1uep s PRO 35 Ca 0.67 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1uep s PRO 35 Cb -0.22 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1uep s PRO 35 CO 0.49 -1.38 1.34 0.42 0.04 0.00 0.00 177.00 177.91 1uep s ILE 36 N 5.22 3.85 0.34 0.56 1.01 -1.26 -3.36 121.20 127.55 1uep s ILE 36 Ca 0.65 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 62.02 1uep s ILE 36 Cb -0.19 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 1uep s ILE 36 CO 0.29 -1.25 0.56 -0.76 0.00 0.00 0.00 174.94 173.78 1uep s LEU 37 N 5.72 4.00 0.10 2.97 1.43 -1.12 -0.55 118.68 131.23 1uep s LEU 37 Ca 0.49 0.55 -0.33 0.00 -1.03 0.00 0.00 54.13 53.81 1uep s LEU 37 Cb -0.10 -3.40 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 1uep s LEU 37 CO 0.25 -0.28 1.76 -0.38 0.23 0.00 0.00 176.35 177.92 1uep n ILE 38 N -1.57 0.27 0.00 -0.59 2.08 0.42 -1.83 119.36 118.14 1uep n ILE 38 Ca -0.04 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1uep n ILE 38 Cb 0.55 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 1uep n ILE 38 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uep n GLY 39 N 3.99 -2.46 3.16 7.39 0.00 0.50 -1.91 105.19 115.88 1uep n GLY 39 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1uep n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uep s ALA 40 N -2.36 -0.62 -0.10 4.61 0.00 -1.18 -4.23 121.76 117.89 1uep s ALA 40 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1uep s ALA 40 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1uep s ALA 40 CO 0.00 -0.18 0.19 0.14 0.00 0.00 0.00 175.76 175.91 1uep s VAL 41 N -0.60 5.42 -0.44 0.00 -7.23 -1.26 -1.23 120.40 115.07 1uep s VAL 41 Ca -0.07 0.32 -0.26 0.00 -1.81 0.00 0.00 61.98 60.16 1uep s VAL 41 Cb -0.04 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.47 1uep s VAL 41 CO 0.02 0.61 0.97 -0.63 -0.31 0.00 0.00 175.10 175.75 1uep s ILE 42 N -1.04 4.46 0.29 -0.62 -1.09 -1.08 -4.93 121.20 117.19 1uep s ILE 42 Ca 0.17 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.57 1uep s ILE 42 Cb -0.13 -4.44 0.29 0.00 -1.58 0.00 0.00 42.46 36.60 1uep s ILE 42 CO 0.06 -0.78 1.84 0.00 -1.23 0.00 0.00 174.94 174.83 1uep h ALA 43 N 8.92 1.54 -1.03 9.38 0.00 -1.97 -2.03 119.26 134.06 1uep h ALA 43 Ca -0.24 0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1uep h ALA 43 Cb 1.07 -0.21 -0.33 0.00 0.00 0.00 0.00 17.79 18.33 1uep h ALA 43 CO 1.03 0.22 0.43 -1.33 0.00 0.00 0.00 179.25 179.60 1uep n MET 44 N -4.61 2.97 -4.02 0.00 2.81 -1.26 -4.61 117.12 108.39 1uep n MET 44 Ca 0.19 -3.68 -0.10 0.00 -1.81 0.00 0.00 57.70 52.31 1uep n MET 44 Cb 0.36 -2.28 -0.08 0.00 -0.71 0.00 0.00 33.22 30.51 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 -2.13 0.65 0.02 3.03 0.00 -0.76 -5.07 107.32 103.04 1uep s GLY 45 Ca 0.56 -1.09 0.14 0.00 0.00 0.00 0.00 44.72 44.34 1uep s GLY 45 CO -0.15 -1.02 1.44 1.44 0.00 0.00 0.00 173.10 174.81 1uep n SER 46 N -0.17 0.05 0.14 1.64 7.64 -1.26 -2.02 113.62 119.64 1uep n SER 46 Ca -0.07 0.51 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 1uep n SER 46 Cb 0.63 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 1uep n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uep h ALA 47 N 2.44 -0.34 -0.46 -0.43 0.00 -1.82 -2.16 119.26 116.50 1uep h ALA 47 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1uep h ALA 47 Cb 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1uep h ALA 47 CO 0.00 -0.59 0.09 0.22 0.00 0.00 0.00 179.25 178.97 1uep h ASP 48 N -0.53 0.71 -0.77 0.00 3.58 -1.52 -2.88 116.42 115.01 1uep h ASP 48 Ca -0.03 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.25 1uep h ASP 48 Cb 0.39 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.19 1uep h ASP 48 CO 0.06 0.77 0.43 0.03 -2.88 0.00 0.00 179.24 177.65 1uep h ARG 49 N 0.61 0.73 0.00 0.28 3.08 -1.55 -1.99 114.38 115.54 1uep h ARG 49 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1uep h ARG 49 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1uep h ARG 49 CO 0.01 0.48 0.00 0.22 -1.07 0.00 0.00 179.97 179.61 1uep h ASP 50 N 0.75 0.00 -0.28 7.04 3.58 -1.16 -3.46 116.42 122.89 1uep h ASP 50 Ca 0.36 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 1uep h ASP 50 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1uep h ASP 50 CO -0.22 0.00 -0.05 0.61 -2.88 0.00 0.00 179.24 176.70 1uep n GLY 51 N -0.76 0.30 0.00 -0.78 0.00 -0.75 -4.93 105.19 98.27 1uep n GLY 51 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.33 0.17 -1.48 1.61 1.74 -1.26 -5.11 116.66 111.00 1uep n ARG 52 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1uep n ARG 52 Cb 0.49 -0.64 0.14 0.00 -1.02 0.00 0.00 32.46 31.43 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 -3.29 1.93 0.02 0.55 1.43 -1.26 -5.06 118.68 112.99 1uep s LEU 53 Ca 0.00 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 53.98 1uep s LEU 53 Cb 0.00 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1uep s LEU 53 CO 0.00 -2.67 0.22 -1.00 0.23 0.00 0.00 176.35 173.12 1uep s HIS 54 N -3.23 -0.02 -0.11 0.29 3.76 -1.26 -4.98 115.29 109.74 1uep s HIS 54 Ca 0.64 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 55.17 1uep s HIS 54 Cb -0.15 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 1uep s HIS 54 CO 0.54 -0.38 1.46 -1.25 -0.85 0.00 0.00 174.74 174.26 1uep s PRO 55 N -1.92 4.21 0.00 8.40 0.04 -1.26 -2.30 135.00 142.17 1uep s PRO 55 Ca -0.10 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1uep s PRO 55 Cb -0.04 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1uep s PRO 55 CO -0.00 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1uep n GLY 56 N 3.88 0.81 3.77 0.56 0.00 -0.80 -5.00 105.19 108.40 1uep n GLY 56 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 6.18 -0.14 1.61 1.11 -0.97 -4.80 116.67 117.28 1uep s ASP 57 Ca 0.00 2.77 -0.23 0.00 0.18 0.00 0.00 52.55 55.27 1uep s ASP 57 Cb 0.00 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1uep s ASP 57 CO 0.00 -0.95 0.72 -0.70 1.18 0.00 0.00 175.17 175.42 1uep s GLU 58 N -2.28 4.32 0.56 8.23 2.12 -1.23 -0.44 118.70 129.97 1uep s GLU 58 Ca 0.58 0.84 -0.15 0.00 0.36 0.00 0.00 54.97 56.60 1uep s GLU 58 Cb -0.41 -3.53 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 1uep s GLU 58 CO 0.53 -0.16 1.00 -0.51 -0.54 0.00 0.00 175.26 175.58 1uep s LEU 59 N 1.60 3.48 0.11 2.70 1.43 0.29 -0.25 118.68 128.03 1uep s LEU 59 Ca 0.35 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1uep s LEU 59 Cb -0.17 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1uep s LEU 59 CO 0.14 -0.71 0.00 0.52 0.23 0.00 0.00 176.35 176.52 1uep n VAL 60 N -2.01 0.18 -4.30 -1.59 0.31 0.23 -4.76 118.33 106.39 1uep n VAL 60 Ca 0.06 0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.28 1uep n VAL 60 Cb 0.54 -0.84 -0.14 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.92 -0.18 3.52 2.02 -1.15 -1.36 117.35 119.13 1uep s TYR 61 Ca 0.00 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1uep s TYR 61 Cb 0.00 -0.56 0.05 0.00 -0.40 0.00 0.00 41.96 41.05 1uep s TYR 61 CO 0.00 -0.01 0.01 0.08 -1.57 0.00 0.00 175.55 174.07 1uep s VAL 62 N -0.65 0.64 0.00 0.71 1.01 0.14 -0.79 120.40 121.46 1uep s VAL 62 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1uep s VAL 62 Cb -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1uep s VAL 62 CO 0.00 -0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.33 1uep n ASP 63 N 5.02 0.00 0.00 3.32 -0.08 -0.11 -0.75 116.55 123.94 1uep n ASP 63 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1uep n ASP 63 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1uep n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uep n GLY 64 N 0.00 0.00 3.67 0.27 0.00 -1.26 -4.58 105.19 103.29 1uep n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 5.35 0.37 -0.61 -1.09 0.07 -4.98 121.20 120.30 1uep s ILE 65 Ca 0.00 0.18 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 1uep s ILE 65 Cb 0.00 -3.49 -0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1uep s ILE 65 CO 0.00 0.36 1.34 -2.16 -1.23 0.00 0.00 174.94 173.25 1uep s PRO 66 N 0.94 4.15 0.00 2.79 0.04 -1.26 -0.68 135.00 140.98 1uep s PRO 66 Ca 0.07 2.26 0.25 0.00 0.04 0.00 0.00 61.00 63.63 1uep s PRO 66 Cb -0.13 -2.93 0.52 0.00 0.04 0.00 0.00 34.50 32.00 1uep s PRO 66 CO 0.03 -0.38 1.42 1.33 0.04 0.00 0.00 177.00 179.45 1uep n VAL 67 N 0.47 0.00 -1.65 -0.36 0.24 -0.46 -4.84 118.33 111.73 1uep n VAL 67 Ca 0.02 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.88 1uep n VAL 67 Cb 0.42 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.42 1.61 -0.88 2.33 0.00 -1.26 -1.00 120.51 119.88 1uep n ALA 68 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1uep n ALA 68 Cb 0.34 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 4.82 1.19 0.73 0.00 0.00 -1.26 -4.97 105.19 105.69 1uep n GLY 69 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.17 -4.41 1.61 4.76 -0.17 -4.20 118.16 113.91 1uep n LYS 70 Ca 0.00 -0.46 -0.25 0.00 -2.87 0.00 0.00 58.31 54.73 1uep n LYS 70 Cb 0.00 -0.18 -0.07 0.00 -1.84 0.00 0.00 35.03 32.94 1uep n LYS 70 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1uep n THR 71 N -1.96 0.00 0.16 -0.18 -2.24 -1.26 -3.43 114.28 105.37 1uep n THR 71 Ca 0.03 -2.39 -0.15 0.00 -2.27 0.00 0.00 64.05 59.27 1uep n THR 71 Cb 0.11 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.68 -1.13 0.00 4.78 -0.00 -1.01 -3.07 115.15 116.40 1uep h HIS 72 Ca -0.32 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.04 1uep h HIS 72 Cb 1.22 0.47 -0.00 0.00 -0.00 0.00 0.00 27.41 29.09 1uep h HIS 72 CO 0.00 -0.53 -0.15 -0.09 -0.00 0.00 0.00 177.93 177.17 1uep h ARG 73 N -0.70 0.00 -0.33 5.26 9.65 -1.93 -0.74 114.38 125.59 1uep h ARG 73 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1uep h ARG 73 Cb 0.69 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.19 1uep h ARG 73 CO -0.18 0.15 -0.54 -0.92 2.80 0.00 0.00 179.97 181.27 1uep h TYR 74 N 0.00 -1.64 -0.54 2.20 3.20 -1.95 -2.29 116.97 115.95 1uep h TYR 74 Ca -0.00 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1uep h TYR 74 Cb 0.28 0.76 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 1uep h TYR 74 CO 0.00 -0.50 0.18 0.28 -1.64 0.00 0.00 178.16 176.48 1uep h VAL 75 N -0.45 1.21 -0.21 1.81 2.07 -1.14 -2.20 116.25 117.33 1uep h VAL 75 Ca 0.07 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1uep h VAL 75 Cb 0.62 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1uep h VAL 75 CO -0.55 0.27 -0.04 0.40 0.02 0.00 0.00 177.57 177.67 1uep h ILE 76 N 0.79 1.16 -0.08 4.57 1.08 -0.94 0.25 117.51 124.34 1uep h ILE 76 Ca 0.18 -0.64 -0.17 0.00 -0.39 0.00 0.00 64.86 63.84 1uep h ILE 76 Cb 0.21 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1uep h ILE 76 CO -0.01 0.21 -0.67 -0.78 -0.69 0.00 0.00 178.15 176.21 1uep h ASP 77 N 0.31 0.37 0.39 1.72 1.82 -1.00 -3.29 116.42 116.75 1uep h ASP 77 Ca 0.07 -0.23 -0.15 0.00 -0.39 0.00 0.00 57.03 56.32 1uep h ASP 77 Cb 0.28 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1uep h ASP 77 CO 0.01 0.94 -0.65 0.25 -1.61 0.00 0.00 179.24 178.18 1uep h LEU 78 N 0.23 0.27 -1.33 2.28 7.12 -0.36 -0.82 115.31 122.71 1uep h LEU 78 Ca -0.02 -0.17 0.04 0.00 0.13 0.00 0.00 57.88 57.87 1uep h LEU 78 Cb 1.22 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.22 1uep h LEU 78 CO 0.11 0.84 0.48 0.24 -0.13 0.00 0.00 178.44 179.99 1uep h MET 79 N 0.17 0.84 -0.08 1.25 2.86 -0.72 -1.37 114.93 117.88 1uep h MET 79 Ca -0.01 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1uep h MET 79 Cb 1.17 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1uep h MET 79 CO 0.10 0.56 -0.31 0.45 1.06 0.00 0.00 176.91 178.76 1uep h HIS 80 N 0.87 0.47 -0.13 -0.22 3.86 -1.26 0.76 115.15 119.50 1uep h HIS 80 Ca 0.30 -0.20 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1uep h HIS 80 Cb 0.09 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1uep h HIS 80 CO -0.00 0.93 -0.35 1.25 0.86 0.00 0.00 177.93 180.62 1uep h HIS 81 N -0.13 -0.96 -0.75 2.45 6.17 -1.19 -1.53 115.15 119.20 1uep h HIS 81 Ca -0.02 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.13 1uep h HIS 81 Cb 0.96 0.44 -0.05 0.00 2.52 0.00 0.00 27.41 31.28 1uep h HIS 81 CO 0.12 -0.42 0.47 0.00 0.71 0.00 0.00 177.93 178.82 1uep h ALA 82 N 0.34 0.98 0.00 5.26 0.00 -1.23 -0.13 119.26 124.47 1uep h ALA 82 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uep h ALA 82 Cb 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uep h ALA 82 CO -0.36 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1uep n ALA 83 N -2.32 1.35 0.05 0.00 0.00 0.26 -0.98 120.51 118.87 1uep n ALA 83 Ca 0.08 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 1uep n ALA 83 Cb 0.08 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1uep n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uep h ARG 84 N 0.00 0.26 0.00 0.00 3.08 -0.08 -3.32 114.38 114.32 1uep h ARG 84 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1uep h ARG 84 Cb 0.18 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1uep h ARG 84 CO 0.00 1.12 0.00 -0.91 -1.07 0.00 0.00 179.97 179.11 1uep h ASN 85 N 0.07 0.00 -0.31 7.04 2.35 0.30 -3.46 115.58 121.57 1uep h ASN 85 Ca -0.29 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 1uep h ASN 85 Cb 2.04 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.37 1uep h ASN 85 CO 0.15 0.00 -0.10 0.61 -1.65 0.00 0.00 177.43 176.44 1uep n GLY 86 N -0.92 0.73 3.84 2.83 0.00 -0.19 -4.96 105.19 106.51 1uep n GLY 86 Ca -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.64 1.64 0.13 1.61 -2.07 -1.18 -0.64 119.66 116.50 1uep s GLN 87 Ca 0.00 -1.03 -0.17 0.00 -1.82 0.00 0.00 55.36 52.34 1uep s GLN 87 Cb 0.00 0.47 0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1uep s GLN 87 CO 0.00 -0.76 0.43 0.54 -1.32 0.00 0.00 175.29 174.18 1uep s VAL 88 N -2.48 0.06 -0.35 3.63 0.11 0.05 -4.23 120.40 117.19 1uep s VAL 88 Ca 0.18 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1uep s VAL 88 Cb -0.03 -1.16 0.14 0.00 -1.53 0.00 0.00 36.38 33.80 1uep s VAL 88 CO 0.07 -0.27 0.24 0.21 -3.33 0.00 0.00 175.10 172.02 1uep s ASN 89 N -2.80 2.62 -0.57 3.54 2.47 -1.26 -0.71 114.94 118.23 1uep s ASN 89 Ca 0.03 -1.96 -0.17 0.00 0.42 0.00 0.00 52.86 51.18 1uep s ASN 89 Cb 0.01 -0.18 0.13 0.00 -1.45 0.00 0.00 41.25 39.76 1uep s ASN 89 CO -0.12 -0.31 0.58 -0.76 -3.72 0.00 0.00 177.10 172.77 1uep s LEU 90 N 1.26 5.95 -0.06 3.21 1.43 0.28 -0.94 118.68 129.82 1uep s LEU 90 Ca 0.17 -1.72 -0.22 0.00 -1.03 0.00 0.00 54.13 51.33 1uep s LEU 90 Cb -0.21 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1uep s LEU 90 CO -0.04 -0.93 0.64 -0.89 0.23 0.00 0.00 176.35 175.36 1uep s THR 91 N 1.89 5.02 0.38 5.49 2.01 0.03 -1.89 115.64 128.58 1uep s THR 91 Ca 0.07 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.47 1uep s THR 91 Cb -0.27 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1uep s THR 91 CO 0.03 0.31 -0.04 0.68 -0.69 0.00 0.00 174.62 174.92 1uep s VAL 92 N 0.50 2.07 0.00 3.82 -7.23 0.03 -0.60 120.40 118.99 1uep s VAL 92 Ca 0.34 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 1uep s VAL 92 Cb -0.18 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1uep s VAL 92 CO 0.17 -0.09 0.40 0.00 -0.31 0.00 0.00 175.10 175.26 1uep s ARG 93 N -3.67 0.82 -0.08 4.82 1.70 0.65 -0.53 118.95 122.66 1uep s ARG 93 Ca 0.34 -0.20 -0.05 0.00 -0.47 0.00 0.00 55.73 55.35 1uep s ARG 93 Cb 0.07 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 1uep s ARG 93 CO 0.17 -0.25 0.19 1.03 -1.08 0.00 0.00 175.30 175.36 1uep s ARG 94 N -1.76 0.18 -0.05 3.89 0.52 -0.66 -3.53 118.95 117.54 1uep s ARG 94 Ca -0.10 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 1uep s ARG 94 Cb -0.03 -0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.35 1uep s ARG 94 CO 0.03 -0.10 1.88 0.21 0.02 0.00 0.00 175.30 177.34 1uep s LYS 95 N 0.68 3.97 -0.22 3.54 2.36 -1.26 -1.84 119.74 126.97 1uep s LYS 95 Ca -0.05 2.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.68 1uep s LYS 95 Cb -0.06 -4.13 0.20 0.00 -1.05 0.00 0.00 37.83 32.79 1uep s LYS 95 CO -0.04 -1.13 1.74 0.28 1.55 0.00 0.00 175.35 177.76 1uep n VAL 96 N 5.94 2.30 -2.74 4.02 0.31 -1.26 -4.83 118.33 122.08 1uep n VAL 96 Ca 0.20 -1.13 -0.02 0.00 -0.01 0.00 0.00 64.34 63.38 1uep n VAL 96 Cb 0.43 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.30 -7.98 -4.06 7.52 -0.00 -1.26 -5.00 117.00 106.51 1uep n LEU 97 Ca 0.23 1.24 -0.09 0.00 -0.00 0.00 0.00 56.01 57.39 1uep n LEU 97 Cb 0.72 -3.35 -0.11 0.00 -0.00 0.00 0.00 43.42 40.68 1uep n LEU 97 CO 0.27 -3.02 -0.37 -0.94 -0.00 0.00 0.00 177.39 173.33 1uep s SER 98 N -1.84 0.56 0.00 1.96 1.04 -1.26 -5.10 113.70 109.06 1uep s SER 98 Ca 0.05 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1uep s SER 98 Cb -0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1uep s SER 98 CO 0.78 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1uep n GLY 99 N 0.77 -1.76 0.29 7.32 0.00 -1.26 -5.07 105.19 105.47 1uep n GLY 99 Ca -0.18 0.79 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 1uep n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uep h PRO 100 N 0.00 0.73 -6.01 1.61 0.13 -1.99 -3.27 132.00 123.19 1uep h PRO 100 Ca 0.00 -0.16 -0.47 0.00 -0.87 0.00 0.00 66.00 64.50 1uep h PRO 100 Cb 0.00 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 30.96 1uep h PRO 100 CO 0.00 0.69 1.15 -1.12 -0.23 0.00 0.00 178.00 178.49 1uep s SER 101 N -6.64 5.70 0.00 1.44 0.01 -1.26 -4.83 113.70 108.12 1uep s SER 101 Ca -0.09 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1uep s SER 101 Cb 0.15 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1uep s SER 101 CO 0.79 -2.17 2.25 -0.24 0.41 0.00 0.00 173.24 174.27 1uep n SER 102 N 11.51 5.29 0.00 2.44 2.88 -1.24 -5.22 113.62 129.29 1uep n SER 102 Ca 0.25 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 1uep n SER 102 Cb 0.50 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42