#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv n SER 2 N 0.00 -1.65 -4.58 1.61 7.64 -1.26 -4.98 113.62 110.40 1ujv n SER 2 Ca 0.00 -0.85 -0.30 0.00 1.01 0.00 0.00 58.87 58.73 1ujv n SER 2 Cb 0.00 -3.82 0.21 0.00 -1.01 0.00 0.00 64.21 59.59 1ujv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujv s SER 3 N -4.17 1.90 0.96 6.43 0.15 -1.26 -5.07 113.70 112.64 1ujv s SER 3 Ca 0.13 1.86 -0.15 0.00 0.70 0.00 0.00 55.95 58.48 1ujv s SER 3 Cb -0.06 -2.44 0.21 0.00 -1.71 0.00 0.00 66.02 62.01 1ujv s SER 3 CO 0.83 -3.68 1.32 -0.83 1.20 0.00 0.00 173.24 172.08 1ujv s GLY 4 N -2.58 1.80 0.12 9.45 0.00 -1.26 -4.96 107.32 109.88 1ujv s GLY 4 Ca 0.68 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1ujv s GLY 4 CO 0.61 -0.50 0.00 1.44 0.00 0.00 0.00 173.10 174.66 1ujv n SER 5 N -3.75 -7.10 -4.57 1.64 7.64 -1.26 -4.80 113.62 101.41 1ujv n SER 5 Ca 0.16 1.07 -0.32 0.00 1.01 0.00 0.00 58.87 60.79 1ujv n SER 5 Cb 0.59 -3.95 -0.04 0.00 -1.01 0.00 0.00 64.21 59.80 1ujv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujv s SER 6 N -0.38 5.51 0.00 6.43 0.01 -1.26 -4.85 113.70 119.16 1ujv s SER 6 Ca 0.00 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.66 1ujv s SER 6 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ujv s SER 6 CO 0.00 -2.52 0.51 0.61 0.41 0.00 0.00 173.24 172.25 1ujv n GLY 7 N 6.03 -1.52 3.77 3.44 0.00 -1.26 -4.79 105.19 110.85 1ujv n GLY 7 Ca 0.44 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 1ujv n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 8 N -1.73 3.68 0.00 1.61 -0.21 -1.26 -4.91 119.66 116.84 1ujv s GLN 8 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 55.36 57.32 1ujv s GLN 8 Cb 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1ujv s GLN 8 CO 0.00 -0.66 0.00 0.00 -2.12 0.00 0.00 175.29 172.51 1ujv n ALA 9 N -0.47 0.00 -1.59 6.09 0.00 -1.26 -5.10 120.51 118.18 1ujv n ALA 9 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1ujv n ALA 9 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1ujv n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ujv n GLU 10 N 0.00 1.85 -0.91 0.00 2.13 -1.26 -5.00 120.64 117.45 1ujv n GLU 10 Ca 0.00 0.48 -0.31 0.00 0.66 0.00 0.00 57.16 57.99 1ujv n GLU 10 Cb 0.03 -3.22 0.15 0.00 0.27 0.00 0.00 31.44 28.67 1ujv n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ujv s LEU 11 N 8.58 2.71 0.27 4.31 1.43 -1.26 -4.59 118.68 130.13 1ujv s LEU 11 Ca 1.01 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 1ujv s LEU 11 Cb -0.35 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.38 1ujv s LEU 11 CO 0.35 -2.80 0.63 -0.04 0.23 0.00 0.00 176.35 174.72 1ujv s MET 12 N -4.74 3.88 0.09 1.70 -1.94 -0.37 -4.90 119.30 113.02 1ujv s MET 12 Ca 0.65 0.43 0.08 0.00 -1.71 0.00 0.00 55.69 55.14 1ujv s MET 12 Cb -0.21 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1ujv s MET 12 CO 0.58 0.25 -0.18 0.99 -0.01 0.00 0.00 175.02 176.65 1ujv s THR 13 N -1.89 2.85 0.20 2.05 2.01 -1.26 -0.71 115.64 118.89 1ujv s THR 13 Ca 0.50 -1.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1ujv s THR 13 Cb -0.11 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1ujv s THR 13 CO 0.20 0.18 0.27 -0.76 -0.69 0.00 0.00 174.62 173.82 1ujv s LEU 14 N -1.90 0.92 0.09 4.42 1.43 0.49 -4.98 118.68 119.14 1ujv s LEU 14 Ca 0.17 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1ujv s LEU 14 Cb -0.11 0.99 -0.03 0.00 0.03 0.00 0.00 46.19 47.07 1ujv s LEU 14 CO 0.09 -0.93 -0.10 -0.89 0.23 0.00 0.00 176.35 174.74 1ujv s THR 15 N -4.06 0.91 0.22 5.49 2.01 -1.26 -1.11 115.64 117.84 1ujv s THR 15 Ca 0.27 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.76 1ujv s THR 15 Cb 0.04 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1ujv s THR 15 CO 0.07 -0.49 0.05 0.27 -0.69 0.00 0.00 174.62 173.82 1ujv s ILE 16 N -2.16 0.67 -0.01 1.82 -4.36 -0.00 -4.47 121.20 112.69 1ujv s ILE 16 Ca 0.02 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1ujv s ILE 16 Cb -0.05 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 1ujv s ILE 16 CO 0.00 -0.22 -0.09 -0.69 0.24 0.00 0.00 174.94 174.18 1ujv s VAL 17 N -3.67 0.75 0.56 8.37 1.01 -0.94 -0.60 120.40 125.88 1ujv s VAL 17 Ca 0.32 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1ujv s VAL 17 Cb 0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ujv s VAL 17 CO 0.09 0.21 1.07 -0.75 0.00 0.00 0.00 175.10 175.73 1ujv s LYS 18 N -0.19 3.41 -0.44 2.72 2.20 -1.22 -4.60 119.74 121.62 1ujv s LYS 18 Ca 0.03 1.34 0.06 0.00 -0.36 0.00 0.00 55.97 57.04 1ujv s LYS 18 Cb -0.04 -2.04 0.21 0.00 -1.51 0.00 0.00 37.83 34.46 1ujv s LYS 18 CO -0.00 -0.75 0.59 0.41 -0.36 0.00 0.00 175.35 175.23 1ujv n GLY 19 N -0.53 1.39 7.00 5.54 0.00 -1.26 -3.40 105.19 113.94 1ujv n GLY 19 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv n ALA 20 N 2.16 0.00 -0.02 4.61 0.00 -1.26 -4.67 120.51 121.32 1ujv n ALA 20 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ujv n ALA 20 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1ujv n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ujv n GLN 21 N -0.99 -1.94 -2.77 0.00 3.00 -1.26 -1.75 117.38 111.67 1ujv n GLN 21 Ca 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1ujv n GLN 21 Cb 0.00 -2.51 0.01 0.00 0.00 0.00 0.00 30.24 27.74 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ujv n GLY 22 N 0.05 -0.98 1.20 1.08 0.00 -1.26 -4.91 105.19 100.37 1ujv n GLY 22 Ca 0.00 0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.52 1ujv n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujv n PHE 23 N -1.87 -3.06 -1.59 1.61 3.01 -0.72 -4.65 117.46 110.18 1ujv n PHE 23 Ca -0.01 1.57 -0.17 0.00 1.01 0.00 0.00 57.45 59.85 1ujv n PHE 23 Cb 0.52 -2.78 0.12 0.00 -0.01 0.00 0.00 39.48 37.33 1ujv n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ujv n GLY 24 N -3.86 5.53 3.19 1.37 0.00 -1.26 -4.86 105.19 105.30 1ujv n GLY 24 Ca -0.01 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1ujv n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujv s PHE 25 N -3.48 0.91 0.09 1.61 -0.71 -1.26 -0.71 117.98 114.43 1ujv s PHE 25 Ca 0.51 -1.23 0.06 0.00 -1.04 0.00 0.00 56.93 55.22 1ujv s PHE 25 Cb 0.43 -0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1ujv s PHE 25 CO 0.01 -0.59 -0.15 0.95 -1.34 0.00 0.00 175.22 174.11 1ujv s THR 26 N -4.08 1.21 0.03 -4.49 -4.23 -0.26 -4.93 115.64 98.89 1ujv s THR 26 Ca 0.29 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1ujv s THR 26 Cb 0.07 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 1ujv s THR 26 CO 0.05 -0.27 -0.14 0.27 -0.54 0.00 0.00 174.62 173.99 1ujv s ILE 27 N -1.53 3.11 -0.05 2.99 -4.36 -1.26 -0.97 121.20 119.12 1ujv s ILE 27 Ca 0.02 -1.04 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1ujv s ILE 27 Cb -0.08 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.31 1ujv s ILE 27 CO 0.03 0.35 -0.11 0.00 0.24 0.00 0.00 174.94 175.44 1ujv s ALA 28 N -0.96 1.14 0.40 2.27 0.00 -0.25 -4.67 121.76 119.70 1ujv s ALA 28 Ca 0.16 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 1ujv s ALA 28 Cb -0.11 -0.50 -0.08 0.00 0.00 0.00 0.00 23.12 22.43 1ujv s ALA 28 CO 0.06 0.12 1.15 0.34 0.00 0.00 0.00 175.76 177.43 1ujv s ASP 29 N 0.56 6.54 0.17 0.00 -1.08 -1.26 -2.99 116.67 118.61 1ujv s ASP 29 Ca -0.12 2.30 -0.00 0.00 -0.52 0.00 0.00 52.55 54.22 1ujv s ASP 29 Cb -0.14 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 1ujv s ASP 29 CO 0.03 -0.66 0.07 -0.94 0.52 0.00 0.00 175.17 174.19 1ujv s SER 30 N -1.20 0.50 0.35 -0.34 1.04 0.33 -4.94 113.70 109.44 1ujv s SER 30 Ca 0.57 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.77 1ujv s SER 30 Cb -0.29 0.28 0.67 0.00 0.10 0.00 0.00 66.02 66.78 1ujv s SER 30 CO 0.37 -0.73 1.98 1.55 0.98 0.00 0.00 173.24 177.38 1ujv h PRO 31 N 2.72 0.80 0.00 4.02 0.13 -1.99 -2.19 132.00 135.49 1ujv h PRO 31 Ca -0.36 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 1ujv h PRO 31 Cb 1.22 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1ujv h PRO 31 CO 0.58 0.53 -0.80 1.79 -0.23 0.00 0.00 178.00 179.88 1ujv h THR 32 N 0.83 1.41 0.00 1.56 1.35 -1.98 -3.50 112.91 112.58 1ujv h THR 32 Ca 0.28 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1ujv h THR 32 Cb 0.08 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1ujv h THR 32 CO -0.08 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1ujv n GLY 33 N 1.17 0.02 3.73 5.82 0.00 -0.82 -4.91 105.19 110.19 1ujv n GLY 33 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1ujv n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 34 N -0.87 2.83 0.10 1.61 -1.52 -1.26 -0.52 119.66 120.04 1ujv s GLN 34 Ca 0.00 -0.64 -0.08 0.00 -1.95 0.00 0.00 55.36 52.68 1ujv s GLN 34 Cb 0.00 -2.70 -0.00 0.00 -0.22 0.00 0.00 33.01 30.08 1ujv s GLN 34 CO 0.00 0.60 0.20 1.03 -0.25 0.00 0.00 175.29 176.87 1ujv s ARG 35 N -1.95 0.90 -0.33 2.91 0.52 -1.16 -3.22 118.95 116.62 1ujv s ARG 35 Ca 0.24 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.14 1ujv s ARG 35 Cb -0.12 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.70 1ujv s ARG 35 CO 0.16 -0.29 1.24 0.08 0.02 0.00 0.00 175.30 176.50 1ujv s VAL 36 N -3.89 4.22 0.03 3.52 1.01 -1.26 -1.09 120.40 122.95 1ujv s VAL 36 Ca 0.08 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 1ujv s VAL 36 Cb 0.05 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 1ujv s VAL 36 CO -0.09 -0.55 1.24 0.50 0.00 0.00 0.00 175.10 176.20 1ujv h LYS 37 N 9.08 -0.95 -2.67 2.72 3.64 -1.33 -3.18 116.57 123.89 1ujv h LYS 37 Ca -0.24 0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1ujv h LYS 37 Cb 1.08 0.22 -0.16 0.00 -0.41 0.00 0.00 32.23 32.96 1ujv h LYS 37 CO 1.05 -0.63 0.07 -1.14 -2.27 0.00 0.00 179.45 176.52 1ujv s GLN 38 N -4.89 1.05 -0.28 1.90 0.74 -1.18 -4.90 119.66 112.10 1ujv s GLN 38 Ca -0.14 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 1ujv s GLN 38 Cb 0.01 0.48 0.02 0.00 1.10 0.00 0.00 33.01 34.63 1ujv s GLN 38 CO 0.43 -0.38 0.02 0.42 -0.55 0.00 0.00 175.29 175.23 1ujv s ILE 39 N -2.31 3.41 -0.14 -2.34 1.01 -1.26 -1.10 121.20 118.47 1ujv s ILE 39 Ca -0.06 -0.92 0.17 0.00 0.00 0.00 0.00 60.65 59.84 1ujv s ILE 39 Cb -0.01 -2.78 -0.08 0.00 0.01 0.00 0.00 42.46 39.61 1ujv s ILE 39 CO -0.00 0.10 0.99 -0.07 0.00 0.00 0.00 174.94 175.96 1ujv h LEU 40 N 8.12 0.00 -6.35 2.97 3.38 -1.28 -3.45 115.31 118.70 1ujv h LEU 40 Ca -0.30 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.39 1ujv h LEU 40 Cb 1.11 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.56 1ujv h LEU 40 CO 0.58 0.51 -0.60 -0.62 0.09 0.00 0.00 178.44 178.40 1ujv s ASP 41 N -5.91 0.83 0.07 -0.43 2.15 -0.34 -5.02 116.67 108.02 1ujv s ASP 41 Ca -0.01 -0.90 -0.32 0.00 0.43 0.00 0.00 52.55 51.75 1ujv s ASP 41 Cb 0.08 0.84 -0.19 0.00 -0.30 0.00 0.00 42.92 43.35 1ujv s ASP 41 CO 0.79 -0.32 1.60 0.40 -0.17 0.00 0.00 175.17 177.47 1ujv h ILE 42 N 5.74 0.37 0.00 4.11 2.04 -1.86 -3.01 117.51 124.90 1ujv h ILE 42 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1ujv h ILE 42 Cb 1.09 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1ujv h ILE 42 CO 0.25 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.40 1ujv n GLN 43 N -5.45 0.08 0.04 2.37 6.02 -1.26 -0.81 117.38 118.36 1ujv n GLN 43 Ca -0.13 0.47 -0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1ujv n GLN 43 Cb 0.35 -1.71 0.08 0.00 1.02 0.00 0.00 30.24 29.98 1ujv n GLN 43 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ujv h GLY 44 N 0.98 0.48 -5.99 1.08 0.00 -1.84 -3.36 103.07 94.42 1ujv h GLY 44 Ca 0.00 -0.57 -0.58 0.00 0.00 0.00 0.00 47.33 46.18 1ujv h GLY 44 CO 0.00 0.51 -0.78 0.00 0.00 0.00 0.00 176.54 176.27 1ujv s PRO 46 N -2.29 4.31 0.00 0.00 0.04 -1.13 -1.92 135.00 134.01 1ujv s PRO 46 Ca 0.40 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1ujv s PRO 46 Cb 0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1ujv s PRO 46 CO -0.06 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1ujv n GLY 47 N 2.78 1.68 3.74 0.56 0.00 -1.26 -4.74 105.19 107.94 1ujv n GLY 47 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ujv n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujv s LEU 48 N 0.00 4.43 -0.03 0.99 2.96 -0.81 -5.03 118.68 121.18 1ujv s LEU 48 Ca 0.00 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1ujv s LEU 48 Cb 0.00 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1ujv s LEU 48 CO 0.00 -0.50 -0.01 0.00 -1.32 0.00 0.00 176.35 174.52 1ujv s GLU 50 N 0.80 3.29 -1.12 0.00 8.01 -1.26 -3.04 118.70 125.38 1ujv s GLU 50 Ca -0.08 1.32 -0.05 0.00 0.01 0.00 0.00 54.97 56.16 1ujv s GLU 50 Cb -0.12 -2.02 0.01 0.00 -4.31 0.00 0.00 34.13 27.69 1ujv s GLU 50 CO -0.01 -0.85 0.64 0.41 0.01 0.00 0.00 175.26 175.46 1ujv n GLY 51 N -0.63 -0.21 1.06 -1.39 0.00 -1.20 -5.00 105.19 97.82 1ujv n GLY 51 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1ujv n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ujv n ASP 52 N -1.65 -2.59 -3.78 1.61 5.75 -1.17 -4.93 116.55 109.80 1ujv n ASP 52 Ca -0.05 -0.27 -0.21 0.00 -0.01 0.00 0.00 54.79 54.25 1ujv n ASP 52 Cb 0.57 -0.32 -0.17 0.00 -1.03 0.00 0.00 41.12 40.17 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ujv s LEU 53 N 0.00 0.68 0.10 -2.12 2.96 -1.26 -4.67 118.68 114.37 1ujv s LEU 53 Ca 0.21 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 53.75 1ujv s LEU 53 Cb -0.04 -0.37 -0.08 0.00 0.50 0.00 0.00 46.19 46.21 1ujv s LEU 53 CO 0.17 -0.17 1.38 -0.63 -1.32 0.00 0.00 176.35 175.78 1ujv s ILE 54 N 1.75 3.39 0.12 6.68 1.01 -1.20 -1.66 121.20 131.28 1ujv s ILE 54 Ca 0.01 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ujv s ILE 54 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1ujv s ILE 54 CO -0.04 0.07 0.00 0.52 0.00 0.00 0.00 174.94 175.49 1ujv n VAL 55 N 4.02 0.79 -4.03 2.92 0.31 -0.95 -4.49 118.33 116.90 1ujv n VAL 55 Ca 0.11 0.26 -0.17 0.00 -0.01 0.00 0.00 64.34 64.53 1ujv n VAL 55 Cb 0.43 -1.34 -0.16 0.00 -0.91 0.00 0.00 33.84 31.85 1ujv n VAL 55 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ujv s GLU 56 N -2.00 0.46 -0.11 5.55 2.02 -1.13 -1.35 118.70 122.15 1ujv s GLU 56 Ca 0.00 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.00 1ujv s GLU 56 Cb 0.00 -0.56 0.01 0.00 0.10 0.00 0.00 34.13 33.68 1ujv s GLU 56 CO 0.00 -0.08 -0.19 0.42 0.02 0.00 0.00 175.26 175.44 1ujv s ILE 57 N 0.78 1.72 -1.56 -1.63 1.01 -0.05 -0.12 121.20 121.35 1ujv s ILE 57 Ca -0.09 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 1ujv s ILE 57 Cb -0.12 -1.53 0.15 0.00 0.01 0.00 0.00 42.46 40.97 1ujv s ILE 57 CO -0.01 0.48 0.65 0.59 0.00 0.00 0.00 174.94 176.66 1ujv n ASN 58 N 3.93 -3.00 -1.29 3.58 3.02 0.39 -0.85 115.26 121.04 1ujv n ASN 58 Ca -0.20 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.33 1ujv n ASN 58 Cb 0.52 -2.49 -0.07 0.00 -0.61 0.00 0.00 39.78 37.13 1ujv n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujv n GLN 59 N -4.08 -1.46 -3.41 3.52 6.02 -1.26 -5.01 117.38 111.70 1ujv n GLN 59 Ca 0.07 1.09 -0.38 0.00 -0.01 0.00 0.00 57.00 57.77 1ujv n GLN 59 Cb 0.49 -5.44 -0.06 0.00 1.02 0.00 0.00 30.24 26.25 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ujv s GLN 60 N -3.41 4.13 0.19 -1.09 0.74 -0.03 -5.09 119.66 115.10 1ujv s GLN 60 Ca 0.00 0.44 -0.29 0.00 0.05 0.00 0.00 55.36 55.56 1ujv s GLN 60 Cb 0.00 -3.32 -0.08 0.00 1.10 0.00 0.00 33.01 30.71 1ujv s GLN 60 CO 0.00 0.45 0.91 1.21 -0.55 0.00 0.00 175.29 177.31 1ujv s ASN 61 N -0.33 7.56 -0.00 6.67 3.84 -1.26 -0.87 114.94 130.55 1ujv s ASN 61 Ca 0.25 1.85 0.00 0.00 0.21 0.00 0.00 52.86 55.17 1ujv s ASN 61 Cb -0.16 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 1ujv s ASN 61 CO 0.12 0.11 0.59 1.33 -2.79 0.00 0.00 177.10 176.47 1ujv n VAL 62 N 1.84 0.11 0.26 -5.21 0.24 -0.46 -4.82 118.33 110.29 1ujv n VAL 62 Ca -0.02 -0.12 0.13 0.00 -2.04 0.00 0.00 64.34 62.29 1ujv n VAL 62 Cb 0.48 0.90 0.70 0.00 -1.47 0.00 0.00 33.84 34.45 1ujv n VAL 62 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ujv h GLN 63 N 0.00 0.00 0.00 7.34 4.20 -1.77 -2.62 115.11 122.26 1ujv h GLN 63 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ujv h GLN 63 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ujv h GLN 63 CO 0.00 0.13 -1.07 0.09 -0.67 0.00 0.00 178.83 177.31 1ujv n ASN 64 N -3.59 0.88 -4.70 1.46 3.02 -1.26 -4.77 115.26 106.30 1ujv n ASN 64 Ca -0.02 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.49 1ujv n ASN 64 Cb 0.26 1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 40.63 1ujv n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ujv n LEU 65 N -1.60 3.95 -4.56 3.41 4.32 -0.99 -4.98 117.00 116.54 1ujv n LEU 65 Ca 0.01 1.03 -0.31 0.00 -0.02 0.00 0.00 56.01 56.72 1ujv n LEU 65 Cb 0.31 -1.55 0.18 0.00 -1.62 0.00 0.00 43.42 40.74 1ujv n LEU 65 CO 0.34 0.14 0.43 -1.20 -1.22 0.00 0.00 177.39 175.89 1ujv n SER 66 N 4.72 -0.65 -0.19 -1.43 7.64 -1.26 -4.71 113.62 117.73 1ujv n SER 66 Ca 0.17 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1ujv n SER 66 Cb 0.35 -1.36 0.09 0.00 -1.01 0.00 0.00 64.21 62.28 1ujv n SER 66 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ujv h HIS 67 N -1.99 -0.05 -0.68 1.43 2.76 -1.93 -0.98 115.15 113.71 1ujv h HIS 67 Ca -0.47 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 57.79 1ujv h HIS 67 Cb 1.29 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 30.32 1ujv h HIS 67 CO 0.42 -0.16 0.45 1.15 -1.30 0.00 0.00 177.93 178.49 1ujv h THR 68 N 0.11 1.07 -0.06 6.26 2.02 -1.99 -1.09 112.91 119.22 1ujv h THR 68 Ca 0.31 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ujv h THR 68 Cb 0.49 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ujv h THR 68 CO -0.51 0.14 -0.13 -0.33 0.37 0.00 0.00 175.52 175.06 1ujv h GLU 69 N 0.77 0.20 -0.42 6.66 4.39 -1.52 -0.10 114.58 124.57 1ujv h GLU 69 Ca 0.28 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1ujv h GLU 69 Cb 0.14 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1ujv h GLU 69 CO -0.08 0.72 0.22 0.28 -1.16 0.00 0.00 179.01 178.98 1ujv h VAL 70 N -0.29 0.98 -0.72 3.13 2.07 -1.06 -0.92 116.25 119.45 1ujv h VAL 70 Ca 0.00 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ujv h VAL 70 Cb 0.71 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1ujv h VAL 70 CO 0.03 0.08 0.48 0.58 0.02 0.00 0.00 177.57 178.75 1ujv h VAL 71 N 0.44 1.19 -0.04 2.57 2.07 -1.14 -0.58 116.25 120.76 1ujv h VAL 71 Ca 0.18 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1ujv h VAL 71 Cb 0.07 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1ujv h VAL 71 CO -0.12 0.18 -0.36 0.44 0.02 0.00 0.00 177.57 177.73 1ujv h ASP 72 N 0.98 0.08 0.08 0.57 5.19 -0.29 0.53 116.42 123.55 1ujv h ASP 72 Ca 0.26 -0.03 -0.28 0.00 -0.62 0.00 0.00 57.03 56.37 1ujv h ASP 72 Cb -0.11 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 39.41 1ujv h ASP 72 CO -0.06 0.44 -1.13 0.40 -3.12 0.00 0.00 179.24 175.77 1ujv h ILE 73 N 0.07 1.30 0.00 0.35 2.04 -0.87 -2.83 117.51 117.56 1ujv h ILE 73 Ca 0.01 -2.38 -0.02 0.00 1.00 0.00 0.00 64.86 63.47 1ujv h ILE 73 Cb 0.68 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1ujv h ILE 73 CO 0.05 0.72 -0.08 -0.07 0.00 0.00 0.00 178.15 178.78 1ujv h LEU 74 N 0.26 0.00 -1.05 1.44 3.38 -0.74 -0.78 115.31 117.83 1ujv h LEU 74 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1ujv h LEU 74 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1ujv h LEU 74 CO 0.22 0.08 -0.48 0.11 0.09 0.00 0.00 178.44 178.46 1ujv h LYS 75 N 0.00 0.00 0.00 1.13 1.57 -0.77 -2.96 116.57 115.54 1ujv h LYS 75 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ujv h LYS 75 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ujv h LYS 75 CO 0.01 0.48 -0.20 0.22 -0.57 0.00 0.00 179.45 179.38 1ujv h ASP 76 N 0.00 0.00 -3.05 0.86 3.58 -0.91 -3.45 116.42 113.45 1ujv h ASP 76 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1ujv h ASP 76 Cb 0.85 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.97 1ujv h ASP 76 CO 0.06 0.20 0.94 0.00 -2.88 0.00 0.00 179.24 177.56 1ujv n PRO 78 N 2.97 2.67 -2.19 0.00 -0.02 -1.26 -4.91 135.00 132.25 1ujv n PRO 78 Ca 0.11 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.13 1ujv n PRO 78 Cb 0.37 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 1ujv n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ujv s ILE 79 N 0.58 3.64 0.00 4.25 -1.09 -1.26 -3.26 121.20 124.05 1ujv s ILE 79 Ca 0.70 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 1ujv s ILE 79 Cb -0.52 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1ujv s ILE 79 CO 0.41 -0.78 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 1ujv n GLY 80 N 5.35 1.99 3.20 6.18 0.00 -1.22 -4.98 105.19 115.71 1ujv n GLY 80 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv s SER 81 N -2.00 1.02 0.45 1.61 0.01 -1.20 -4.88 113.70 108.71 1ujv s SER 81 Ca 0.00 -1.13 -0.25 0.00 1.31 0.00 0.00 55.95 55.88 1ujv s SER 81 Cb 0.00 0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.30 1ujv s SER 81 CO 0.00 -0.57 1.35 -1.61 0.41 0.00 0.00 173.24 172.82 1ujv s GLU 82 N -3.92 3.70 -0.03 12.44 8.01 -1.26 -3.44 118.70 134.20 1ujv s GLU 82 Ca 0.20 2.24 0.03 0.00 0.01 0.00 0.00 54.97 57.45 1ujv s GLU 82 Cb 0.06 -2.61 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 1ujv s GLU 82 CO 0.01 -0.74 -0.10 0.99 0.01 0.00 0.00 175.26 175.43 1ujv s THR 83 N -1.27 0.91 -0.16 3.63 2.01 0.23 -4.96 115.64 116.04 1ujv s THR 83 Ca 0.61 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1ujv s THR 83 Cb -0.40 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1ujv s THR 83 CO 0.50 0.28 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.20 1ujv s SER 84 N 0.22 4.41 -0.03 3.53 0.01 -1.26 -0.82 113.70 119.75 1ujv s SER 84 Ca -0.04 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.01 1ujv s SER 84 Cb -0.10 -1.71 -0.00 0.00 0.21 0.00 0.00 66.02 64.42 1ujv s SER 84 CO 0.01 0.14 -0.13 -0.76 0.41 0.00 0.00 173.24 172.90 1ujv s LEU 85 N 0.53 1.91 -0.14 2.44 1.02 -0.27 -0.46 118.68 123.71 1ujv s LEU 85 Ca -0.05 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 1ujv s LEU 85 Cb -0.15 -0.74 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 1ujv s LEU 85 CO 0.03 0.13 -0.09 -0.63 0.02 0.00 0.00 176.35 175.81 1ujv s ILE 86 N -0.03 3.37 0.04 -0.59 1.01 0.83 -0.38 121.20 125.45 1ujv s ILE 86 Ca -0.00 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1ujv s ILE 86 Cb -0.08 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1ujv s ILE 86 CO 0.01 0.51 -0.14 0.27 0.00 0.00 0.00 174.94 175.59 1ujv s ILE 87 N 0.35 1.13 -0.70 2.92 -5.25 0.11 -2.24 121.20 117.54 1ujv s ILE 87 Ca -0.08 -1.00 -0.27 0.00 -0.99 0.00 0.00 60.65 58.31 1ujv s ILE 87 Cb -0.15 -1.03 0.01 0.00 2.95 0.00 0.00 42.46 44.24 1ujv s ILE 87 CO 0.05 0.02 1.51 -2.28 -1.79 0.00 0.00 174.94 172.44 1ujv s HIS 88 N -0.84 2.04 -0.04 1.37 5.65 -0.67 -1.24 115.29 121.57 1ujv s HIS 88 Ca 0.02 0.27 -0.19 0.00 0.25 0.00 0.00 55.06 55.40 1ujv s HIS 88 Cb -0.08 -4.42 0.04 0.00 -1.18 0.00 0.00 32.58 26.94 1ujv s HIS 88 CO 0.01 -2.16 0.42 0.50 -0.65 0.00 0.00 174.74 172.86 1ujv s ARG 89 N 6.24 0.75 0.11 2.88 3.52 -1.26 -4.33 118.95 126.85 1ujv s ARG 89 Ca 0.48 0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 56.04 1ujv s ARG 89 Cb -0.10 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1ujv s ARG 89 CO 0.17 -0.20 0.29 0.41 -0.81 0.00 0.00 175.30 175.15 1ujv n GLY 90 N 1.38 1.48 3.63 8.12 0.00 -1.26 -2.87 105.19 115.66 1ujv n GLY 90 Ca -0.20 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1ujv n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 91 N -1.73 6.31 0.00 1.61 0.15 -1.26 -4.87 113.70 113.92 1ujv s SER 91 Ca 0.06 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1ujv s SER 91 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ujv s SER 91 CO 0.03 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.77 1ujv n GLY 92 N 4.76 1.38 3.64 9.45 0.00 -1.26 -4.88 105.19 118.28 1ujv n GLY 92 Ca 0.19 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1ujv n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujv s PRO 93 N -1.60 3.88 0.26 1.61 0.04 -1.26 -4.66 135.00 133.27 1ujv s PRO 93 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1ujv s PRO 93 Cb 0.00 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1ujv s PRO 93 CO 0.00 -1.21 0.00 0.45 0.04 0.00 0.00 177.00 176.28 1ujv n SER 94 N 8.34 -1.29 -4.87 6.66 2.88 -1.26 -5.05 113.62 119.03 1ujv n SER 94 Ca 0.20 0.47 -0.31 0.00 -1.33 0.00 0.00 58.87 57.90 1ujv n SER 94 Cb 0.44 1.36 0.01 0.00 -0.75 0.00 0.00 64.21 65.26 1ujv n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujv s SER 95 N -3.50 6.22 0.00 -3.46 0.01 -1.26 -5.20 113.70 106.51 1ujv s SER 95 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1ujv s SER 95 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1ujv s SER 95 CO 0.00 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.40