#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 0.01 -0.59 1.61 0.01 -1.26 -4.96 113.70 108.52 1uep s SER 2 Ca 0.00 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 1uep s SER 2 Cb 0.00 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.42 1uep s SER 2 CO 0.00 -0.18 0.64 -0.24 0.41 0.00 0.00 173.24 173.87 1uep n SER 3 N 2.31 -6.12 -3.20 2.44 2.88 -1.26 -5.03 113.62 105.64 1uep n SER 3 Ca -0.18 -0.24 -0.22 0.00 -1.33 0.00 0.00 58.87 56.91 1uep n SER 3 Cb 0.57 -2.90 0.20 0.00 -0.75 0.00 0.00 64.21 61.33 1uep n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uep n GLY 4 N -0.84 -3.35 3.49 0.46 0.00 -1.26 -4.84 105.19 98.84 1uep n GLY 4 Ca -0.10 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.72 1.52 -3.02 1.61 2.88 -1.26 -4.84 113.62 105.80 1uep n SER 5 Ca 0.10 0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.50 1uep n SER 5 Cb 0.42 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.63 1uep n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uep n SER 6 N 11.88 2.19 0.00 -3.46 7.64 -1.26 -4.98 113.62 125.63 1uep n SER 6 Ca 0.49 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1uep n SER 6 Cb 0.25 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.04 3.38 3.57 0.23 0.00 -1.26 -5.00 105.19 106.16 1uep n GLY 7 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.75 2.47 -0.08 1.61 1.13 -1.26 -0.63 117.35 117.84 1uep s TYR 8 Ca 0.00 -0.39 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 1uep s TYR 8 Cb 0.00 -1.29 0.00 0.00 -1.10 0.00 0.00 41.96 39.58 1uep s TYR 8 CO 0.00 0.59 -0.19 0.15 -2.51 0.00 0.00 175.55 173.59 1uep s LYS 9 N -3.63 2.40 0.13 -3.49 1.02 -1.06 -4.92 119.74 110.19 1uep s LYS 9 Ca 0.32 -0.67 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 1uep s LYS 9 Cb -0.02 -1.88 -0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1uep s LYS 9 CO 0.18 0.13 0.79 -1.21 -0.92 0.00 0.00 175.35 174.31 1uep s GLU 10 N 0.44 4.57 -0.05 1.68 2.02 -1.26 -2.01 118.70 124.09 1uep s GLU 10 Ca -0.16 1.17 0.05 0.00 0.02 0.00 0.00 54.97 56.04 1uep s GLU 10 Cb -0.17 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 1uep s GLU 10 CO 0.06 0.47 -0.20 -0.51 0.02 0.00 0.00 175.26 175.10 1uep s LEU 11 N -0.78 1.96 -0.09 1.80 2.01 0.52 -4.97 118.68 119.13 1uep s LEU 11 Ca 0.37 -0.42 -0.17 0.00 0.01 0.00 0.00 54.13 53.92 1uep s LEU 11 Cb -0.23 -1.12 -0.05 0.00 0.01 0.00 0.00 46.19 44.81 1uep s LEU 11 CO 0.26 0.17 0.46 -1.81 1.01 0.00 0.00 176.35 176.45 1uep s ASP 12 N 0.04 6.72 -0.23 2.29 1.01 -1.26 -1.31 116.67 123.93 1uep s ASP 12 Ca -0.06 0.86 -0.01 0.00 0.71 0.00 0.00 52.55 54.05 1uep s ASP 12 Cb -0.13 -2.28 0.06 0.00 1.01 0.00 0.00 42.92 41.58 1uep s ASP 12 CO 0.03 0.08 0.00 -0.69 0.21 0.00 0.00 175.17 174.81 1uep s VAL 13 N 0.20 1.03 -0.12 -1.27 1.01 0.10 -4.97 120.40 116.39 1uep s VAL 13 Ca 0.25 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1uep s VAL 13 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1uep s VAL 13 CO 0.11 -0.22 0.73 -2.28 0.00 0.00 0.00 175.10 173.44 1uep s HIS 14 N 1.61 3.49 -0.17 5.22 2.46 -1.26 -0.51 115.29 126.14 1uep s HIS 14 Ca -0.02 1.19 0.00 0.00 0.47 0.00 0.00 55.06 56.71 1uep s HIS 14 Cb -0.18 -2.87 0.01 0.00 -0.13 0.00 0.00 32.58 29.41 1uep s HIS 14 CO -0.09 -0.06 -0.17 -0.51 -2.47 0.00 0.00 174.74 171.45 1uep s LEU 15 N 1.40 2.35 0.67 8.88 1.43 -0.13 -5.00 118.68 128.29 1uep s LEU 15 Ca 0.36 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1uep s LEU 15 Cb -0.17 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1uep s LEU 15 CO 0.15 0.05 1.06 0.00 0.23 0.00 0.00 176.35 177.83 1uep s ARG 16 N 1.03 3.19 -0.33 1.70 1.70 -1.26 -0.32 118.95 124.67 1uep s ARG 16 Ca -0.01 0.71 -0.01 0.00 -0.47 0.00 0.00 55.73 55.94 1uep s ARG 16 Cb -0.15 -2.04 0.13 0.00 -0.57 0.00 0.00 34.95 32.32 1uep s ARG 16 CO -0.05 -0.85 0.18 0.50 -1.08 0.00 0.00 175.30 174.00 1uep s ARG 17 N -5.20 0.42 0.00 3.89 3.52 -0.15 -4.50 118.95 116.93 1uep s ARG 17 Ca 0.57 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1uep s ARG 17 Cb -0.12 -1.26 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 1uep s ARG 17 CO 0.54 -1.14 0.00 -1.33 -0.81 0.00 0.00 175.30 172.56 1uep n MET 18 N 4.48 0.00 0.00 5.12 2.81 -1.26 -4.70 117.12 123.56 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 0.39 -0.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 1uep n MET 18 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1uep n GLU 19 N 0.00 0.00 0.27 0.03 1.02 -1.26 -4.91 120.64 115.79 1uep n GLU 19 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1uep n GLU 19 Cb 0.03 0.00 0.76 0.00 -0.02 0.00 0.00 31.44 32.20 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 0.00 -3.42 1.62 0.02 -1.99 -3.49 113.55 106.29 1uep h SER 20 Ca 0.00 0.00 0.31 0.00 -0.84 0.00 0.00 61.79 61.26 1uep h SER 20 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1uep h SER 20 CO 0.00 0.10 -0.41 0.61 -1.14 0.00 0.00 176.83 175.99 1uep n GLY 21 N -0.56 -1.98 3.68 -3.77 0.00 -1.26 -4.80 105.19 96.50 1uep n GLY 21 Ca -0.01 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.95 2.11 -0.64 1.61 0.08 -1.26 -4.25 117.98 113.68 1uep s PHE 22 Ca 0.00 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.18 1uep s PHE 22 Cb 0.00 -4.05 0.37 0.00 -0.57 0.00 0.00 43.02 38.78 1uep s PHE 22 CO 0.00 -4.34 1.38 0.41 -0.10 0.00 0.00 175.22 172.57 1uep n GLY 23 N 4.15 5.83 3.24 4.36 0.00 -1.26 -4.97 105.19 116.54 1uep n GLY 23 Ca 0.17 -2.68 -0.11 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.76 0.88 0.27 1.61 -0.71 -1.26 -0.88 117.98 114.14 1uep s PHE 24 Ca 0.48 -1.19 0.09 0.00 -1.04 0.00 0.00 56.93 55.27 1uep s PHE 24 Cb 0.36 -0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1uep s PHE 24 CO -0.23 -0.65 -0.12 0.50 -1.34 0.00 0.00 175.22 173.38 1uep s ARG 25 N -4.08 1.58 0.15 1.99 3.52 0.29 -4.92 118.95 117.48 1uep s ARG 25 Ca 0.30 -1.76 0.11 0.00 -0.13 0.00 0.00 55.73 54.24 1uep s ARG 25 Cb 0.06 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.00 1uep s ARG 25 CO 0.07 0.17 -0.23 0.42 -0.81 0.00 0.00 175.30 174.91 1uep s ILE 26 N -2.80 2.45 0.27 4.11 1.01 -1.26 0.03 121.20 125.01 1uep s ILE 26 Ca 0.28 -1.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1uep s ILE 26 Cb 0.00 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1uep s ILE 26 CO 0.12 0.01 0.38 0.18 0.00 0.00 0.00 174.94 175.63 1uep n LEU 27 N 0.61 0.00 0.00 2.97 4.77 0.09 -4.38 117.00 121.06 1uep n LEU 27 Ca -0.15 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1uep n LEU 27 Cb 0.54 1.97 0.00 0.00 -2.33 0.00 0.00 43.42 43.60 1uep n LEU 27 CO 0.27 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 1uep n GLY 28 N -0.44 -0.31 2.44 -0.72 0.00 -1.26 -2.10 105.19 102.80 1uep n GLY 28 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 0.76 0.02 -0.02 0.00 -0.38 -4.45 105.19 101.12 1uep n GLY 29 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.55 0.16 -4.24 1.61 2.03 -1.26 -0.22 116.55 113.08 1uep n ASP 30 Ca -0.21 0.52 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 1uep n ASP 30 Cb 0.65 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.04 1.05 -1.45 -0.67 0.41 -1.26 -4.93 118.70 108.82 1uep s GLU 31 Ca 0.11 -1.45 -0.13 0.00 -0.41 0.00 0.00 54.97 53.09 1uep s GLU 31 Cb 0.15 -0.57 0.05 0.00 -1.78 0.00 0.00 34.13 31.98 1uep s GLU 31 CO 0.47 0.05 2.23 -0.35 -0.49 0.00 0.00 175.26 177.17 1uep n PRO 32 N -0.19 2.97 0.00 0.39 -0.04 -1.26 -1.67 135.00 135.19 1uep n PRO 32 Ca -0.10 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1uep n PRO 32 Cb 0.61 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.94 -0.60 3.69 0.55 0.00 -1.24 -4.56 105.19 106.98 1uep n GLY 33 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 1uep n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uep s GLN 34 N 0.00 1.25 0.35 1.61 -0.21 -0.67 -4.85 119.66 117.14 1uep s GLN 34 Ca 0.00 1.36 -0.28 0.00 0.02 0.00 0.00 55.36 56.46 1uep s GLN 34 Cb 0.00 -1.77 -0.10 0.00 1.00 0.00 0.00 33.01 32.15 1uep s GLN 34 CO 0.00 -2.41 1.27 -1.25 -2.12 0.00 0.00 175.29 170.78 1uep s PRO 35 N -4.72 4.29 -0.66 2.91 0.04 -1.26 -4.45 135.00 131.15 1uep s PRO 35 Ca 0.65 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 1uep s PRO 35 Cb -0.21 -2.99 0.17 0.00 0.04 0.00 0.00 34.50 31.51 1uep s PRO 35 CO 0.58 -0.21 0.54 0.42 0.04 0.00 0.00 177.00 178.37 1uep s ILE 36 N -1.19 4.62 0.32 0.56 1.01 -1.26 -1.26 121.20 124.00 1uep s ILE 36 Ca 0.51 -2.41 -0.16 0.00 0.00 0.00 0.00 60.65 58.58 1uep s ILE 36 Cb -0.38 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1uep s ILE 36 CO 0.50 -0.91 0.75 -0.76 0.00 0.00 0.00 174.94 174.52 1uep s LEU 37 N 0.46 4.09 -0.02 2.97 1.43 -0.89 -0.04 118.68 126.68 1uep s LEU 37 Ca 0.14 1.33 -0.33 0.00 -1.03 0.00 0.00 54.13 54.24 1uep s LEU 37 Cb -0.19 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 1uep s LEU 37 CO -0.04 -0.19 1.88 -0.38 0.23 0.00 0.00 176.35 177.85 1uep n ILE 38 N -0.25 0.57 0.06 -0.59 2.08 0.74 -0.73 119.36 121.24 1uep n ILE 38 Ca 0.03 -0.10 -0.02 0.00 0.56 0.00 0.00 62.75 63.22 1uep n ILE 38 Cb 0.53 -1.99 -0.01 0.00 -0.75 0.00 0.00 39.64 37.42 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 9.26 -0.16 -5.15 7.39 0.00 -0.60 0.60 103.07 114.43 1uep h GLY 39 Ca -0.48 0.06 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1uep h GLY 39 CO 0.94 -0.06 -0.54 0.00 0.00 0.00 0.00 176.54 176.88 1uep s ALA 40 N -3.31 -0.30 0.03 3.60 0.00 -1.22 -4.24 121.76 116.33 1uep s ALA 40 Ca -0.02 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 1uep s ALA 40 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1uep s ALA 40 CO 0.07 -0.13 0.48 0.08 0.00 0.00 0.00 175.76 176.26 1uep s VAL 41 N -0.60 4.90 -0.45 0.00 1.01 -1.26 -0.54 120.40 123.45 1uep s VAL 41 Ca -0.07 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 1uep s VAL 41 Cb -0.04 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1uep s VAL 41 CO 0.01 0.56 0.88 -0.63 0.00 0.00 0.00 175.10 175.92 1uep s ILE 42 N -1.07 4.53 0.44 2.22 -1.09 -0.06 -4.96 121.20 121.21 1uep s ILE 42 Ca 0.26 0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 59.11 1uep s ILE 42 Cb -0.18 -4.39 -0.10 0.00 -1.58 0.00 0.00 42.46 36.20 1uep s ILE 42 CO 0.16 -0.79 0.93 0.00 -1.23 0.00 0.00 174.94 174.01 1uep n ALA 43 N 7.01 -0.10 -3.54 9.38 0.00 -1.26 -3.67 120.51 128.33 1uep n ALA 43 Ca 0.05 0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1uep n ALA 43 Cb 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1uep n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1uep n MET 44 N 0.12 -1.47 -3.96 0.00 2.81 -1.26 -4.98 117.12 108.38 1uep n MET 44 Ca 0.10 1.01 0.01 0.00 -1.81 0.00 0.00 57.70 57.01 1uep n MET 44 Cb 0.40 -3.47 0.02 0.00 -0.71 0.00 0.00 33.22 29.45 1uep n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uep n GLY 45 N -1.69 0.34 0.36 3.03 0.00 -1.24 -5.03 105.19 100.96 1uep n GLY 45 Ca -0.21 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1uep n GLY 45 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uep h SER 46 N 1.99 0.91 -0.04 1.61 0.02 -1.82 0.59 113.55 116.80 1uep h SER 46 Ca -0.23 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 1uep h SER 46 Cb 1.19 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.54 1uep h SER 46 CO 0.33 0.59 -0.51 0.00 -1.14 0.00 0.00 176.83 176.10 1uep h ALA 47 N 1.51 0.12 -0.84 3.77 0.00 -1.83 -1.13 119.26 120.86 1uep h ALA 47 Ca 0.38 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1uep h ALA 47 Cb 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1uep h ALA 47 CO -0.14 0.32 0.45 0.22 0.00 0.00 0.00 179.25 180.10 1uep h ASP 48 N -0.06 0.57 1.61 0.00 1.82 -1.54 0.17 116.42 119.00 1uep h ASP 48 Ca -0.05 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1uep h ASP 48 Cb 1.19 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 1uep h ASP 48 CO 0.10 0.27 -0.12 0.03 -1.61 0.00 0.00 179.24 177.91 1uep h ARG 49 N 0.67 0.00 0.00 0.28 3.08 -0.89 -2.88 114.38 114.64 1uep h ARG 49 Ca 0.44 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.30 1uep h ARG 49 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1uep h ARG 49 CO -0.33 0.12 -0.92 0.22 -1.07 0.00 0.00 179.97 177.99 1uep h ASP 50 N 0.00 0.00 0.00 7.04 3.58 0.00 -3.48 116.42 123.56 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 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1uep h ASP 50 CO 0.02 0.92 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 1uep n GLY 51 N 1.30 0.62 0.13 -0.78 0.00 0.49 -4.79 105.19 102.16 1uep n GLY 51 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1uep n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uep n ARG 52 N -2.00 0.72 -1.22 1.61 0.63 -1.26 -4.91 116.66 110.24 1uep n ARG 52 Ca 0.00 0.33 -0.31 0.00 -0.92 0.00 0.00 57.85 56.95 1uep n ARG 52 Cb 0.00 -1.71 0.10 0.00 0.45 0.00 0.00 32.46 31.30 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1uep s LEU 53 N -7.22 2.87 0.04 6.15 1.43 -1.26 -5.10 118.68 115.60 1uep s LEU 53 Ca -0.24 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1uep s LEU 53 Cb 0.07 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 1uep s LEU 53 CO 0.73 -2.21 -0.04 -2.28 0.23 0.00 0.00 176.35 172.78 1uep s HIS 54 N -2.89 0.48 0.37 0.29 2.46 -1.26 -4.98 115.29 109.76 1uep s HIS 54 Ca 0.62 -0.81 -0.27 0.00 0.47 0.00 0.00 55.06 55.07 1uep s HIS 54 Cb -0.18 -0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 31.85 1uep s HIS 54 CO 0.56 -0.26 1.22 -1.25 -2.47 0.00 0.00 174.74 172.54 1uep s PRO 55 N -2.84 4.15 0.00 2.88 0.04 -1.26 -2.84 135.00 135.13 1uep s PRO 55 Ca -0.02 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1uep s PRO 55 Cb -0.00 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1uep s PRO 55 CO -0.05 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1uep n GLY 56 N 0.74 1.14 3.76 0.56 0.00 0.20 -5.00 105.19 106.59 1uep n GLY 56 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.08 5.65 -0.09 1.61 1.11 -1.13 -4.76 116.67 115.98 1uep s ASP 57 Ca 0.00 2.72 -0.16 0.00 0.18 0.00 0.00 52.55 55.30 1uep s ASP 57 Cb 0.00 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1uep s ASP 57 CO 0.00 -1.31 0.40 -0.70 1.18 0.00 0.00 175.17 174.74 1uep s GLU 58 N -2.70 4.16 0.34 8.23 -6.30 -1.16 -0.18 118.70 121.09 1uep s GLU 58 Ca 0.66 0.33 -0.10 0.00 -2.50 0.00 0.00 54.97 53.36 1uep s GLU 58 Cb -0.39 -3.36 -0.07 0.00 0.00 0.00 0.00 34.13 30.32 1uep s GLU 58 CO 0.48 0.37 0.69 -0.51 0.02 0.00 0.00 175.26 176.31 1uep s LEU 59 N -0.02 3.96 0.00 2.70 1.43 0.94 -0.10 118.68 127.58 1uep s LEU 59 Ca 0.22 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1uep s LEU 59 Cb -0.15 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1uep s LEU 59 CO 0.09 -0.28 0.00 0.52 0.23 0.00 0.00 176.35 176.91 1uep n VAL 60 N -0.94 0.00 -4.06 -1.59 0.31 0.63 -4.62 118.33 108.06 1uep n VAL 60 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1uep n VAL 60 Cb 0.54 -0.83 -0.11 0.00 -0.91 0.00 0.00 33.84 32.52 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 -1.87 0.66 -0.13 3.52 2.02 -1.08 -1.18 117.35 119.29 1uep s TYR 61 Ca 0.00 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1uep s TYR 61 Cb 0.00 -0.39 0.06 0.00 -0.40 0.00 0.00 41.96 41.23 1uep s TYR 61 CO 0.00 -0.09 0.22 0.08 -1.57 0.00 0.00 175.55 174.19 1uep s VAL 62 N -1.45 -0.35 0.00 0.71 1.01 -0.20 -0.87 120.40 119.24 1uep s VAL 62 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1uep s VAL 62 Cb -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1uep s VAL 62 CO 0.00 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.51 1uep n ASP 63 N 5.34 0.00 0.00 3.32 2.03 -0.04 -2.15 116.55 125.05 1uep n ASP 63 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1uep n ASP 63 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 0.18 3.74 0.27 0.00 -1.26 -4.50 105.19 103.61 1uep n GLY 64 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.03 0.54 -0.61 1.09 -0.91 -4.96 121.20 120.38 1uep s ILE 65 Ca 0.00 1.75 -0.19 0.00 -1.10 0.00 0.00 60.65 61.11 1uep s ILE 65 Cb 0.00 -4.11 -0.06 0.00 -1.06 0.00 0.00 42.46 37.23 1uep s ILE 65 CO 0.00 0.30 1.07 -2.16 -0.10 0.00 0.00 174.94 174.05 1uep s PRO 66 N -0.31 3.49 0.00 2.79 0.04 -1.26 -1.04 135.00 138.71 1uep s PRO 66 Ca 0.48 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1uep s PRO 66 Cb -0.28 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1uep s PRO 66 CO 0.33 -0.70 0.36 1.33 0.04 0.00 0.00 177.00 178.36 1uep n VAL 67 N -1.42 0.00 -2.13 -0.36 0.24 -0.33 -4.90 118.33 109.44 1uep n VAL 67 Ca 0.10 -0.39 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 1uep n VAL 67 Cb 0.52 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.35 2.45 0.00 2.33 0.00 -1.25 -1.18 121.76 122.76 1uep s ALA 68 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1uep s ALA 68 Cb 0.05 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1uep s ALA 68 CO 0.21 -3.45 0.00 0.41 0.00 0.00 0.00 175.76 172.94 1uep n GLY 69 N 5.54 0.85 4.01 0.00 0.00 -1.26 -4.98 105.19 109.35 1uep n GLY 69 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.52 2.52 0.67 1.61 -0.14 -0.33 -3.96 119.74 119.59 1uep s LYS 70 Ca 0.00 -1.27 -0.03 0.00 -1.36 0.00 0.00 55.97 53.31 1uep s LYS 70 Cb 0.00 -2.64 0.08 0.00 -1.68 0.00 0.00 37.83 33.58 1uep s LYS 70 CO 0.00 -0.62 0.94 0.95 -0.76 0.00 0.00 175.35 175.86 1uep s THR 71 N -2.58 2.36 0.13 2.17 -4.23 -1.26 -3.68 115.64 108.55 1uep s THR 71 Ca 0.58 -0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1uep s THR 71 Cb -0.08 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1uep s THR 71 CO 0.37 0.00 1.73 -0.74 -0.54 0.00 0.00 174.62 175.44 1uep h HIS 72 N -0.40 0.45 0.00 3.99 2.76 -0.81 -2.96 115.15 118.17 1uep h HIS 72 Ca -0.41 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 1uep h HIS 72 Cb 1.29 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 1uep h HIS 72 CO 0.12 0.36 -0.09 -0.09 -1.30 0.00 0.00 177.93 176.93 1uep h ARG 73 N 0.41 0.00 -0.74 5.26 9.65 -1.93 0.45 114.38 127.47 1uep h ARG 73 Ca 0.12 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.15 1uep h ARG 73 Cb 0.06 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.50 1uep h ARG 73 CO -0.02 0.09 -0.09 -0.92 2.80 0.00 0.00 179.97 181.83 1uep h TYR 74 N 0.00 -0.22 0.14 2.20 5.03 -1.92 -1.06 116.97 121.14 1uep h TYR 74 Ca -0.00 0.06 -0.30 0.00 2.58 0.00 0.00 58.73 61.07 1uep h TYR 74 Cb 0.20 0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1uep h TYR 74 CO 0.00 -0.28 -1.45 0.28 -1.32 0.00 0.00 178.16 175.39 1uep h VAL 75 N 0.05 1.26 -0.64 1.81 2.07 -1.04 -2.20 116.25 117.56 1uep h VAL 75 Ca 0.38 -2.85 0.11 0.00 0.82 0.00 0.00 66.70 65.15 1uep h VAL 75 Cb 0.63 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 33.17 1uep h VAL 75 CO -0.71 0.84 0.24 0.40 0.02 0.00 0.00 177.57 178.36 1uep h ILE 76 N 0.08 0.73 0.00 4.57 1.08 -1.17 0.20 117.51 123.00 1uep h ILE 76 Ca -0.22 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.06 1uep h ILE 76 Cb 2.02 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 1uep h ILE 76 CO 0.19 0.07 -0.25 -0.78 -0.69 0.00 0.00 178.15 176.69 1uep h ASP 77 N 0.41 0.00 -0.04 1.72 3.58 -1.08 -2.15 116.42 118.87 1uep h ASP 77 Ca 0.33 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.70 1uep h ASP 77 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1uep h ASP 77 CO -0.34 0.25 -0.28 -0.07 -2.88 0.00 0.00 179.24 175.92 1uep h LEU 78 N 0.00 0.31 -2.21 2.28 3.38 -0.64 -3.27 115.31 115.16 1uep h LEU 78 Ca -0.00 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 1uep h LEU 78 Cb 0.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uep h LEU 78 CO 0.03 0.96 -0.06 0.24 0.09 0.00 0.00 178.44 179.70 1uep h MET 79 N -0.31 0.00 0.05 1.13 2.86 -0.36 0.21 114.93 118.51 1uep h MET 79 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1uep h MET 79 Cb 0.97 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1uep h MET 79 CO 0.06 0.06 -0.05 0.45 1.06 0.00 0.00 176.91 178.49 1uep h HIS 80 N 0.00 -0.12 0.03 -0.22 3.86 -1.49 -2.93 115.15 114.28 1uep h HIS 80 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uep h HIS 80 Cb 0.17 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1uep h HIS 80 CO 0.00 -0.07 -0.01 0.45 0.86 0.00 0.00 177.93 179.15 1uep h HIS 81 N -0.11 -0.03 -0.51 2.45 -0.00 -0.99 -3.28 115.15 112.68 1uep h HIS 81 Ca 0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1uep h HIS 81 Cb 0.10 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1uep h HIS 81 CO -0.09 0.35 0.34 0.00 -0.00 0.00 0.00 177.93 178.53 1uep h ALA 82 N 0.53 1.85 -0.38 2.45 0.00 -0.78 0.23 119.26 123.15 1uep h ALA 82 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uep h ALA 82 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uep h ALA 82 CO 0.01 0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.58 1uep h ALA 83 N 1.72 1.81 -0.33 0.00 0.00 -1.57 -1.62 119.26 119.27 1uep h ALA 83 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1uep h ALA 83 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1uep h ALA 83 CO -0.06 0.15 -0.36 0.00 0.00 0.00 0.00 179.25 178.98 1uep h ARG 84 N 0.44 0.75 0.00 0.00 3.08 -0.66 -2.44 114.38 115.55 1uep h ARG 84 Ca 0.15 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1uep h ARG 84 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1uep h ARG 84 CO -0.03 0.99 0.00 0.09 -1.07 0.00 0.00 179.97 179.95 1uep n ASN 85 N -4.06 0.30 0.00 7.04 3.02 -0.64 -4.85 115.26 116.07 1uep n ASN 85 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1uep n ASN 85 Cb 0.51 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1uep n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uep n GLY 86 N -1.01 0.42 3.64 7.41 0.00 -0.92 -4.94 105.19 109.80 1uep n GLY 86 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.35 0.74 -0.16 1.61 -2.07 -1.21 -0.98 119.66 117.24 1uep s GLN 87 Ca 0.00 -0.37 -0.05 0.00 -1.82 0.00 0.00 55.36 53.12 1uep s GLN 87 Cb 0.00 0.28 0.08 0.00 -1.09 0.00 0.00 33.01 32.28 1uep s GLN 87 CO 0.00 -0.34 0.31 0.54 -1.32 0.00 0.00 175.29 174.48 1uep s VAL 88 N -2.86 -0.49 -0.70 3.63 0.11 0.57 -4.53 120.40 116.14 1uep s VAL 88 Ca 0.11 0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.11 1uep s VAL 88 Cb 0.01 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1uep s VAL 88 CO -0.03 0.08 1.19 0.20 -3.33 0.00 0.00 175.10 173.20 1uep s ASN 89 N 2.48 6.19 0.22 3.54 0.01 -1.26 -0.95 114.94 125.16 1uep s ASN 89 Ca 0.01 -0.54 -0.17 0.00 -0.71 0.00 0.00 52.86 51.46 1uep s ASN 89 Cb -0.12 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 38.94 1uep s ASN 89 CO -0.10 -1.70 0.68 -0.76 -1.51 0.00 0.00 177.10 173.71 1uep s LEU 90 N 5.21 4.29 -0.16 0.60 1.43 0.34 -0.86 118.68 129.53 1uep s LEU 90 Ca 0.32 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 1uep s LEU 90 Cb -0.10 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.55 1uep s LEU 90 CO 0.15 0.01 -0.15 -0.89 0.23 0.00 0.00 176.35 175.70 1uep s THR 91 N -1.59 1.70 0.41 5.49 2.01 -0.05 -0.72 115.64 122.89 1uep s THR 91 Ca 0.44 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.74 1uep s THR 91 Cb -0.15 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1uep s THR 91 CO 0.20 0.42 0.53 0.68 -0.69 0.00 0.00 174.62 175.76 1uep s VAL 92 N 1.42 3.05 0.13 3.82 -7.23 -0.43 -0.27 120.40 120.90 1uep s VAL 92 Ca 0.04 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.01 1uep s VAL 92 Cb -0.13 -3.04 0.02 0.00 0.56 0.00 0.00 36.38 33.79 1uep s VAL 92 CO -0.11 -0.02 0.34 0.00 -0.31 0.00 0.00 175.10 175.01 1uep s ARG 93 N -4.29 1.05 -0.18 4.82 1.70 0.86 -0.36 118.95 122.54 1uep s ARG 93 Ca 0.53 -0.84 -0.13 0.00 -0.47 0.00 0.00 55.73 54.82 1uep s ARG 93 Cb -0.09 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1uep s ARG 93 CO 0.32 -0.39 0.46 1.03 -1.08 0.00 0.00 175.30 175.63 1uep s ARG 94 N -3.84 0.48 0.36 3.89 3.00 -0.85 -3.00 118.95 118.98 1uep s ARG 94 Ca 0.06 0.76 -0.28 0.00 0.00 0.00 0.00 55.73 56.26 1uep s ARG 94 Cb 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 34.95 34.98 1uep s ARG 94 CO -0.10 -0.12 1.47 0.21 0.00 0.00 0.00 175.30 176.77 1uep s LYS 95 N 0.91 4.15 -0.68 3.54 2.36 -1.26 -2.55 119.74 126.20 1uep s LYS 95 Ca -0.05 2.52 0.03 0.00 -2.55 0.00 0.00 55.97 55.91 1uep s LYS 95 Cb -0.06 -2.99 0.35 0.00 -1.05 0.00 0.00 37.83 34.08 1uep s LYS 95 CO -0.07 -0.49 1.29 0.28 1.55 0.00 0.00 175.35 177.90 1uep n VAL 96 N 0.76 3.72 -0.90 4.02 0.31 0.20 -4.89 118.33 121.55 1uep n VAL 96 Ca 0.02 -5.44 -0.05 0.00 -0.01 0.00 0.00 64.34 58.85 1uep n VAL 96 Cb 0.39 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.28 -0.00 -4.76 7.52 7.94 -1.26 -4.93 117.00 121.24 1uep n LEU 97 Ca 0.38 0.12 -0.36 0.00 -1.11 0.00 0.00 56.01 55.05 1uep n LEU 97 Cb 0.40 -1.78 0.02 0.00 0.53 0.00 0.00 43.42 42.59 1uep n LEU 97 CO 0.40 -0.62 0.84 -0.55 -1.11 0.00 0.00 177.39 176.35 1uep s SER 98 N -1.54 5.43 0.00 1.96 0.15 -1.26 -4.91 113.70 113.53 1uep s SER 98 Ca 0.00 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.02 1uep s SER 98 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1uep s SER 98 CO 0.00 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 173.62 1uep n GLY 99 N 0.45 2.57 3.59 9.45 0.00 -1.26 -5.03 105.19 114.96 1uep n GLY 99 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1uep n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uep s PRO 100 N -0.57 -0.71 0.38 1.61 0.04 -1.26 -5.11 135.00 129.38 1uep s PRO 100 Ca 0.00 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.40 1uep s PRO 100 Cb 0.00 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.84 1uep s PRO 100 CO 0.00 -3.45 -0.02 -1.12 0.04 0.00 0.00 177.00 172.46 1uep s SER 101 N -3.47 3.64 0.37 6.66 0.01 -1.26 -5.03 113.70 114.63 1uep s SER 101 Ca 0.68 -1.32 0.21 0.00 1.31 0.00 0.00 55.95 56.84 1uep s SER 101 Cb -0.16 -0.35 0.24 0.00 0.21 0.00 0.00 66.02 65.96 1uep s SER 101 CO 0.58 -0.39 1.50 0.28 0.41 0.00 0.00 173.24 175.61 1uep h SER 102 N 1.89 0.00 0.00 2.44 0.02 -2.10 -3.58 113.55 112.23 1uep h SER 102 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1uep h SER 102 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uep h SER 102 CO 0.76 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.18