#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 -1.10 -1.47 1.61 7.64 -1.26 -5.12 113.62 113.92 1ujv n SER 2 Ca 0.00 -2.63 0.19 0.00 1.01 0.00 0.00 58.87 57.44 1ujv n SER 2 Cb 0.00 0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1ujv n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujv n SER 3 N 2.41 -8.72 -0.23 6.43 7.64 -1.26 -5.12 113.62 114.78 1ujv n SER 3 Ca 0.24 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1ujv n SER 3 Cb 0.52 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 4 N -4.36 1.29 0.70 0.23 0.00 -1.26 -5.17 105.19 96.63 1ujv n GLY 4 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1ujv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujv n SER 5 N -0.07 -3.90 -4.80 1.61 2.88 -1.26 -5.09 113.62 102.99 1ujv n SER 5 Ca 0.00 0.36 -0.24 0.00 -1.33 0.00 0.00 58.87 57.66 1ujv n SER 5 Cb 0.00 -1.33 0.08 0.00 -0.75 0.00 0.00 64.21 62.21 1ujv n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujv s SER 6 N -0.70 4.69 0.00 -3.46 0.15 -1.26 -5.06 113.70 108.06 1ujv s SER 6 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1ujv s SER 6 Cb 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1ujv s SER 6 CO 0.00 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.44 1ujv n GLY 7 N -2.75 0.16 3.12 9.45 0.00 -1.26 -5.17 105.19 108.73 1ujv n GLY 7 Ca 0.11 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 45.09 1ujv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujv n GLN 8 N 0.00 -1.26 -2.34 1.61 1.13 -1.26 -4.79 117.38 110.46 1ujv n GLN 8 Ca 0.00 0.83 -0.38 0.00 -1.94 0.00 0.00 57.00 55.51 1ujv n GLN 8 Cb 0.00 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 28.79 1ujv n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujv s ALA 9 N -1.76 3.10 -0.97 -1.58 0.00 -1.26 -4.97 121.76 114.31 1ujv s ALA 9 Ca 0.00 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1ujv s ALA 9 Cb 0.00 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.88 1ujv s ALA 9 CO 0.00 -0.48 1.22 -1.21 0.00 0.00 0.00 175.76 175.29 1ujv s GLU 10 N -2.42 3.63 0.63 0.00 2.02 -1.26 -5.02 118.70 116.29 1ujv s GLU 10 Ca 0.58 -1.69 -0.18 0.00 0.02 0.00 0.00 54.97 53.70 1ujv s GLU 10 Cb -0.28 -5.02 -0.02 0.00 0.10 0.00 0.00 34.13 28.90 1ujv s GLU 10 CO 0.35 -1.86 1.19 1.28 0.02 0.00 0.00 175.26 176.24 1ujv n LEU 11 N 6.97 5.32 -4.54 1.80 7.99 -1.26 -4.53 117.00 128.75 1ujv n LEU 11 Ca 0.27 0.82 -0.31 0.00 -0.01 0.00 0.00 56.01 56.78 1ujv n LEU 11 Cb 0.49 -1.51 -0.11 0.00 -0.11 0.00 0.00 43.42 42.18 1ujv n LEU 11 CO 0.54 -1.25 -0.43 -0.04 -1.51 0.00 0.00 177.39 174.70 1ujv s MET 12 N -3.17 2.24 -0.31 3.23 -1.94 -0.73 -4.99 119.30 113.63 1ujv s MET 12 Ca 0.80 -0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 53.85 1ujv s MET 12 Cb -0.39 -2.33 0.10 0.00 2.01 0.00 0.00 34.83 34.23 1ujv s MET 12 CO 0.42 0.55 0.12 0.99 -0.01 0.00 0.00 175.02 177.10 1ujv s THR 13 N -1.05 0.52 0.38 2.05 2.01 -1.26 -0.80 115.64 117.48 1ujv s THR 13 Ca 0.18 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 61.00 1ujv s THR 13 Cb -0.11 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1ujv s THR 13 CO 0.09 -0.73 0.38 -0.76 -0.69 0.00 0.00 174.62 172.91 1ujv s LEU 14 N 1.69 3.57 0.06 4.42 2.01 -0.13 -4.92 118.68 125.38 1ujv s LEU 14 Ca 0.10 -0.54 0.09 0.00 0.01 0.00 0.00 54.13 53.79 1ujv s LEU 14 Cb -0.18 -2.28 -0.03 0.00 0.01 0.00 0.00 46.19 43.71 1ujv s LEU 14 CO -0.26 -0.53 -0.24 -0.89 1.01 0.00 0.00 176.35 175.44 1ujv s THR 15 N -2.36 1.93 -0.01 5.49 2.01 -1.26 -0.94 115.64 120.50 1ujv s THR 15 Ca 0.46 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1ujv s THR 15 Cb -0.06 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1ujv s THR 15 CO 0.28 0.23 0.01 0.27 -0.69 0.00 0.00 174.62 174.72 1ujv s ILE 16 N -0.87 0.01 -0.25 1.82 -4.36 -0.30 -4.20 121.20 113.05 1ujv s ILE 16 Ca 0.10 0.09 -0.09 0.00 -0.26 0.00 0.00 60.65 60.49 1ujv s ILE 16 Cb -0.10 -0.08 -0.04 0.00 1.25 0.00 0.00 42.46 43.50 1ujv s ILE 16 CO 0.03 0.06 0.13 -0.69 0.24 0.00 0.00 174.94 174.70 1ujv s VAL 17 N 0.54 4.93 -0.17 8.37 1.01 -1.26 0.12 120.40 133.93 1ujv s VAL 17 Ca -0.05 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1ujv s VAL 17 Cb -0.07 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ujv s VAL 17 CO -0.01 0.32 1.57 -0.75 0.00 0.00 0.00 175.10 176.22 1ujv s LYS 18 N 1.47 3.95 -0.01 2.72 2.20 -0.69 -4.92 119.74 124.46 1ujv s LYS 18 Ca 0.06 1.78 -0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1ujv s LYS 18 Cb -0.15 -3.98 -0.00 0.00 -1.51 0.00 0.00 37.83 32.19 1ujv s LYS 18 CO 0.07 -1.10 -0.00 0.78 -0.36 0.00 0.00 175.35 174.73 1ujv h GLY 19 N 11.05 0.00 0.00 5.54 0.00 -1.88 0.40 103.07 118.17 1ujv h GLY 19 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ujv h GLY 19 CO 0.99 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.53 1ujv n ALA 20 N -2.14 0.90 0.05 3.60 0.00 -1.26 -4.56 120.51 117.10 1ujv n ALA 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ujv n ALA 20 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.97 0.82 0.00 0.00 3.00 -1.26 -4.83 117.38 113.13 1ujv n GLN 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ujv n GLN 21 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 30.24 29.15 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 1.21 0.94 3.71 1.08 0.00 -1.26 -4.95 105.19 105.92 1ujv n GLY 22 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1ujv n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujv s PHE 23 N 0.00 2.63 -0.43 1.61 0.40 -1.26 -2.90 117.98 118.02 1ujv s PHE 23 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1ujv s PHE 23 Cb 0.00 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.84 1ujv s PHE 23 CO 0.00 0.32 0.82 0.41 0.70 0.00 0.00 175.22 177.47 1ujv n GLY 24 N -1.13 1.86 3.50 4.36 0.00 -1.26 -4.79 105.19 107.72 1ujv n GLY 24 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.53 0.30 0.17 1.61 -0.71 -1.26 -0.58 117.98 116.97 1ujv s PHE 25 Ca 0.02 -0.65 0.06 0.00 -1.04 0.00 0.00 56.93 55.32 1ujv s PHE 25 Cb 0.02 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 1ujv s PHE 25 CO 0.00 -0.89 -0.12 0.95 -1.34 0.00 0.00 175.22 173.82 1ujv s THR 26 N -3.98 1.42 0.13 -4.49 -4.23 -0.30 -4.94 115.64 99.25 1ujv s THR 26 Ca 0.19 -2.12 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1ujv s THR 26 Cb 0.01 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1ujv s THR 26 CO 0.04 -0.67 -0.20 0.27 -0.54 0.00 0.00 174.62 173.52 1ujv s ILE 27 N -3.14 1.75 -0.04 2.99 -4.36 -1.26 -1.17 121.20 115.97 1ujv s ILE 27 Ca 0.19 -1.71 -0.09 0.00 -0.26 0.00 0.00 60.65 58.78 1ujv s ILE 27 Cb 0.01 -1.68 0.01 0.00 1.25 0.00 0.00 42.46 42.05 1ujv s ILE 27 CO 0.03 -0.18 0.21 0.00 0.24 0.00 0.00 174.94 175.24 1ujv s ALA 28 N -1.57 -0.51 0.50 2.27 0.00 -0.48 -4.75 121.76 117.22 1ujv s ALA 28 Ca 0.10 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 1ujv s ALA 28 Cb -0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 1ujv s ALA 28 CO 0.05 -0.17 1.13 0.16 0.00 0.00 0.00 175.76 176.93 1ujv s ASP 29 N -0.69 6.00 0.18 0.00 -4.77 -1.26 -1.87 116.67 114.25 1ujv s ASP 29 Ca -0.08 2.20 0.00 0.00 -3.30 0.00 0.00 52.55 51.37 1ujv s ASP 29 Cb -0.04 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.15 1ujv s ASP 29 CO 0.01 -1.03 0.06 -0.94 0.70 0.00 0.00 175.17 173.97 1ujv s SER 30 N -1.63 0.72 0.00 2.11 1.04 -0.89 -4.83 113.70 110.23 1ujv s SER 30 Ca 0.68 -1.26 0.16 0.00 0.48 0.00 0.00 55.95 56.02 1ujv s SER 30 Cb -0.25 0.23 0.83 0.00 0.10 0.00 0.00 66.02 66.94 1ujv s SER 30 CO 0.29 -0.70 1.47 -0.81 0.98 0.00 0.00 173.24 174.47 1ujv n PRO 31 N -0.23 0.25 0.00 4.02 -0.04 -1.26 -3.49 135.00 134.25 1ujv n PRO 31 Ca -0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ujv n PRO 31 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1ujv n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujv n THR 32 N -1.27 0.00 -0.87 0.52 -2.24 -1.26 -5.13 114.28 104.04 1ujv n THR 32 Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ujv n THR 32 Cb 0.12 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1ujv n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujv n GLY 33 N 0.37 -2.40 3.39 3.38 0.00 -1.23 -4.95 105.19 103.75 1ujv n GLY 33 Ca 0.00 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.96 3.46 0.52 1.61 -1.52 -1.26 -2.09 119.66 118.42 1ujv s GLN 34 Ca 0.00 -1.86 -0.05 0.00 -1.95 0.00 0.00 55.36 51.49 1ujv s GLN 34 Cb 0.00 -4.59 -0.02 0.00 -0.22 0.00 0.00 33.01 28.18 1ujv s GLN 34 CO 0.00 -1.56 0.83 1.03 -0.25 0.00 0.00 175.29 175.33 1ujv s ARG 35 N 1.90 3.34 -0.23 2.91 0.52 -0.78 -4.47 118.95 122.14 1ujv s ARG 35 Ca 0.23 0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 1ujv s ARG 35 Cb -0.11 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1ujv s ARG 35 CO -0.05 -0.37 1.57 0.08 0.02 0.00 0.00 175.30 176.55 1ujv s VAL 36 N -2.83 3.76 -0.03 3.52 1.01 -1.26 -1.38 120.40 123.19 1ujv s VAL 36 Ca 0.50 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1ujv s VAL 36 Cb -0.10 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1ujv s VAL 36 CO 0.45 -0.32 0.62 0.50 0.00 0.00 0.00 175.10 176.35 1ujv h LYS 37 N 10.50 -0.46 -2.88 2.72 1.63 -1.44 -3.06 116.57 123.57 1ujv h LYS 37 Ca -0.33 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.38 1ujv h LYS 37 Cb 1.15 0.11 -0.23 0.00 -0.60 0.00 0.00 32.23 32.65 1ujv h LYS 37 CO 1.01 -0.31 -0.27 -1.14 -3.45 0.00 0.00 179.45 175.29 1ujv s GLN 38 N -3.15 0.53 -0.42 1.90 0.74 -1.23 -4.86 119.66 113.17 1ujv s GLN 38 Ca -0.07 0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.44 1ujv s GLN 38 Cb 0.01 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.38 1ujv s GLN 38 CO 0.21 -0.10 0.46 0.42 -0.55 0.00 0.00 175.29 175.73 1ujv s ILE 39 N -0.35 5.06 0.09 -2.34 1.01 -1.26 -1.16 121.20 122.26 1ujv s ILE 39 Ca -0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1ujv s ILE 39 Cb -0.03 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 38.14 1ujv s ILE 39 CO 0.02 -0.42 1.18 -0.07 0.00 0.00 0.00 174.94 175.66 1ujv h LEU 40 N 9.11 0.56 -6.98 2.97 3.38 -1.20 -3.43 115.31 119.71 1ujv h LEU 40 Ca -0.27 -0.53 -0.60 0.00 0.09 0.00 0.00 57.88 56.58 1ujv h LEU 40 Cb 1.11 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 41.29 1ujv h LEU 40 CO 0.80 1.37 -0.76 -0.62 0.09 0.00 0.00 178.44 179.32 1ujv s ASP 41 N -7.20 3.68 0.21 -0.43 2.15 -0.13 -5.00 116.67 109.95 1ujv s ASP 41 Ca -0.06 -2.22 -0.09 0.00 0.43 0.00 0.00 52.55 50.61 1ujv s ASP 41 Cb 0.07 -0.88 0.24 0.00 -0.30 0.00 0.00 42.92 42.05 1ujv s ASP 41 CO 0.89 -0.32 1.81 0.40 -0.17 0.00 0.00 175.17 177.77 1ujv h ILE 42 N 5.64 0.97 0.00 4.11 2.04 -1.85 -0.62 117.51 127.81 1ujv h ILE 42 Ca -0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ujv h ILE 42 Cb 0.96 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1ujv h ILE 42 CO 0.45 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.72 1ujv n GLN 43 N -4.79 0.09 0.02 2.37 1.13 -1.26 -1.26 117.38 113.69 1ujv n GLN 43 Ca 0.08 0.38 0.11 0.00 -1.94 0.00 0.00 57.00 55.63 1ujv n GLN 43 Cb 0.17 -1.69 0.03 0.00 0.11 0.00 0.00 30.24 28.86 1ujv n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujv n GLY 44 N -0.27 -1.20 2.53 1.08 0.00 -0.30 -4.50 105.19 102.53 1ujv n GLY 44 Ca 0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1ujv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s PRO 46 N -3.05 4.26 0.00 0.00 0.04 -0.97 -2.14 135.00 133.14 1ujv s PRO 46 Ca 0.39 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1ujv s PRO 46 Cb 0.38 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ujv s PRO 46 CO -0.07 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1ujv n GLY 47 N 3.72 2.33 3.74 0.56 0.00 -1.26 -4.46 105.19 109.82 1ujv n GLY 47 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.45 0.12 0.99 2.96 -0.91 -5.03 118.68 120.27 1ujv s LEU 48 Ca 0.00 2.35 0.08 0.00 -0.22 0.00 0.00 54.13 56.34 1ujv s LEU 48 Cb 0.00 -4.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.06 1ujv s LEU 48 CO 0.00 -1.97 -0.20 0.00 -1.32 0.00 0.00 176.35 172.86 1ujv s GLU 50 N -2.22 4.69 -1.29 0.00 2.02 -1.26 -2.62 118.70 118.02 1ujv s GLU 50 Ca 0.10 1.68 -0.05 0.00 0.02 0.00 0.00 54.97 56.73 1ujv s GLU 50 Cb -0.09 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1ujv s GLU 50 CO 0.05 0.25 1.08 0.41 0.02 0.00 0.00 175.26 177.08 1ujv n GLY 51 N 1.56 -0.45 2.23 -1.39 0.00 -1.16 -4.96 105.19 101.02 1ujv n GLY 51 Ca -0.00 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.07 -3.43 -3.46 1.61 5.75 -1.08 -4.90 116.55 107.98 1ujv n ASP 52 Ca -0.14 -0.58 -0.28 0.00 -0.01 0.00 0.00 54.79 53.78 1ujv n ASP 52 Cb 0.62 -0.68 -0.12 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.84 0.27 -2.12 1.98 -1.26 -4.60 118.68 113.78 1ujv s LEU 53 Ca 0.44 -2.03 -0.30 0.00 -2.89 0.00 0.00 54.13 49.35 1ujv s LEU 53 Cb -0.08 -0.31 -0.13 0.00 0.66 0.00 0.00 46.19 46.33 1ujv s LEU 53 CO 0.37 -0.32 1.42 -0.38 -1.89 0.00 0.00 176.35 175.55 1ujv n ILE 54 N 4.20 1.17 0.00 6.68 5.41 -1.26 -0.38 119.36 135.18 1ujv n ILE 54 Ca 0.10 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1ujv n ILE 54 Cb 0.38 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1ujv n ILE 54 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1ujv n VAL 55 N 1.64 0.00 -4.26 1.39 0.31 -0.31 -4.55 118.33 112.55 1ujv n VAL 55 Ca 0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 1ujv n VAL 55 Cb 0.33 -0.77 -0.12 0.00 -0.91 0.00 0.00 33.84 32.37 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 -1.84 0.95 -0.06 5.55 2.02 -1.14 -1.70 118.70 122.48 1ujv s GLU 56 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1ujv s GLU 56 Cb 0.00 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 1ujv s GLU 56 CO 0.00 0.24 -0.13 0.42 0.02 0.00 0.00 175.26 175.81 1ujv s ILE 57 N -1.13 3.13 0.00 -1.63 1.01 -1.12 -1.33 121.20 120.13 1ujv s ILE 57 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1ujv s ILE 57 Cb -0.09 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1ujv s ILE 57 CO 0.03 0.58 0.00 -3.20 0.00 0.00 0.00 174.94 172.35 1ujv n ASN 58 N 2.45 0.00 0.00 3.58 2.85 0.48 -1.13 115.26 123.49 1ujv n ASN 58 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1ujv n ASN 58 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1ujv n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ujv n GLN 59 N 0.00 0.00 -4.40 1.20 10.64 -1.26 -4.85 117.38 118.70 1ujv n GLN 59 Ca 0.00 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.98 1ujv n GLN 59 Cb 0.00 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.24 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1ujv s GLN 60 N 0.00 0.85 0.09 2.61 0.74 -0.29 -5.13 119.66 118.53 1ujv s GLN 60 Ca 0.00 -0.48 -0.31 0.00 0.05 0.00 0.00 55.36 54.62 1ujv s GLN 60 Cb 0.00 -0.82 -0.07 0.00 1.10 0.00 0.00 33.01 33.22 1ujv s GLN 60 CO 0.00 0.22 1.39 1.21 -0.55 0.00 0.00 175.29 177.56 1ujv s ASN 61 N -0.53 6.84 -0.05 6.67 3.84 -1.26 -2.80 114.94 127.65 1ujv s ASN 61 Ca 0.03 2.27 0.09 0.00 0.21 0.00 0.00 52.86 55.46 1ujv s ASN 61 Cb -0.05 -2.58 0.17 0.00 -0.55 0.00 0.00 41.25 38.24 1ujv s ASN 61 CO 0.00 -0.66 1.08 1.33 -2.79 0.00 0.00 177.10 176.06 1ujv n VAL 62 N 4.12 0.61 0.47 -5.21 0.24 -0.69 -4.87 118.33 113.01 1ujv n VAL 62 Ca 0.12 -0.94 -0.18 0.00 -2.04 0.00 0.00 64.34 61.30 1ujv n VAL 62 Cb 0.43 0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.23 -1.16 0.00 7.34 1.08 -1.78 -3.16 115.11 117.66 1ujv h GLN 63 Ca -0.04 0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1ujv h GLN 63 Cb 1.35 0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 29.05 1ujv h GLN 63 CO 0.02 -0.77 -0.06 -0.91 -0.95 0.00 0.00 178.83 176.15 1ujv h ASN 64 N -1.28 0.00 -2.45 1.46 2.35 -1.92 -3.44 115.58 110.29 1ujv h ASN 64 Ca -0.12 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.02 1ujv h ASN 64 Cb 0.92 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.37 1ujv h ASN 64 CO 0.20 0.06 0.51 0.18 -1.65 0.00 0.00 177.43 176.74 1ujv n LEU 65 N -3.18 2.64 -4.51 1.61 4.32 -1.20 -4.96 117.00 111.72 1ujv n LEU 65 Ca 0.01 1.14 -0.31 0.00 -0.02 0.00 0.00 56.01 56.82 1ujv n LEU 65 Cb 0.36 -1.37 0.17 0.00 -1.62 0.00 0.00 43.42 40.96 1ujv n LEU 65 CO 0.29 -0.73 0.27 -1.20 -1.22 0.00 0.00 177.39 174.81 1ujv n SER 66 N 2.13 -1.06 -0.15 -1.43 7.64 -1.26 -4.79 113.62 114.70 1ujv n SER 66 Ca 0.13 0.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.21 1ujv n SER 66 Cb 0.29 -1.30 0.02 0.00 -1.01 0.00 0.00 64.21 62.21 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 -1.93 -0.47 -0.56 1.43 -0.00 -1.97 -1.84 115.15 109.81 1ujv h HIS 67 Ca -0.47 0.05 0.11 0.00 -0.00 0.00 0.00 60.37 60.06 1ujv h HIS 67 Cb 1.29 0.28 -0.11 0.00 -0.00 0.00 0.00 27.41 28.87 1ujv h HIS 67 CO 0.39 -0.28 -0.24 1.15 -0.00 0.00 0.00 177.93 178.95 1ujv h THR 68 N -0.09 0.29 -0.24 6.26 2.02 -1.98 -0.35 112.91 118.81 1ujv h THR 68 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1ujv h THR 68 Cb 0.44 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1ujv h THR 68 CO -0.53 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.10 1ujv h GLU 69 N -0.10 0.38 -0.28 6.66 4.39 -1.69 0.59 114.58 124.53 1ujv h GLU 69 Ca 0.25 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1ujv h GLU 69 Cb 0.50 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1ujv h GLU 69 CO -0.63 0.47 0.11 0.28 -1.16 0.00 0.00 179.01 178.09 1ujv h VAL 70 N 0.22 1.18 -0.60 3.13 2.07 -1.17 -1.16 116.25 119.93 1ujv h VAL 70 Ca 0.08 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.11 1ujv h VAL 70 Cb 0.26 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1ujv h VAL 70 CO -0.00 0.19 0.28 0.58 0.02 0.00 0.00 177.57 178.64 1ujv h VAL 71 N 0.30 0.88 -0.39 2.57 2.07 -0.74 -1.60 116.25 119.34 1ujv h VAL 71 Ca 0.09 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 1ujv h VAL 71 Cb 0.19 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ujv h VAL 71 CO -0.01 0.09 -0.33 0.44 0.02 0.00 0.00 177.57 177.79 1ujv h ASP 72 N 0.51 0.96 -0.12 0.57 5.19 -0.53 0.14 116.42 123.14 1ujv h ASP 72 Ca 0.28 -0.45 0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1ujv h ASP 72 Cb 0.26 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1ujv h ASP 72 CO -0.23 1.21 0.07 0.40 -3.12 0.00 0.00 179.24 177.57 1ujv h ILE 73 N 0.73 1.01 0.00 0.35 2.04 -1.09 -0.90 117.51 119.65 1ujv h ILE 73 Ca 0.07 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1ujv h ILE 73 Cb 0.91 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1ujv h ILE 73 CO 0.08 0.03 -0.18 -0.07 0.00 0.00 0.00 178.15 178.01 1ujv h LEU 74 N 0.14 0.00 -0.24 1.44 3.38 -0.94 -2.18 115.31 116.92 1ujv h LEU 74 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1ujv h LEU 74 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ujv h LEU 74 CO -0.03 0.18 -0.49 0.11 0.09 0.00 0.00 178.44 178.30 1ujv h LYS 75 N 0.00 0.75 0.00 1.13 1.57 -0.14 -3.21 116.57 116.66 1ujv h LYS 75 Ca -0.00 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 1ujv h LYS 75 Cb 0.39 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ujv h LYS 75 CO 0.02 1.12 -0.29 0.22 -0.57 0.00 0.00 179.45 179.95 1ujv h ASP 76 N 0.48 0.00 -1.77 0.86 3.58 -0.59 -3.44 116.42 115.55 1ujv h ASP 76 Ca 0.01 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1ujv h ASP 76 Cb 1.10 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.19 1ujv h ASP 76 CO 0.11 0.29 0.65 0.00 -2.88 0.00 0.00 179.24 177.40 1ujv s PRO 78 N 1.46 4.11 0.13 0.00 0.02 -1.26 -4.96 135.00 134.51 1ujv s PRO 78 Ca 0.87 2.61 -0.31 0.00 0.02 0.00 0.00 61.00 64.19 1ujv s PRO 78 Cb -0.92 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 30.47 1ujv s PRO 78 CO 0.50 -0.70 1.63 0.42 -0.33 0.00 0.00 177.00 178.51 1ujv s ILE 79 N 0.53 2.75 -0.05 2.83 -1.09 -1.26 -2.16 121.20 122.75 1ujv s ILE 79 Ca 0.69 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 1ujv s ILE 79 Cb -0.49 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1ujv s ILE 79 CO 0.41 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1ujv n GLY 80 N 3.89 0.44 3.59 6.18 0.00 0.13 -5.00 105.19 114.41 1ujv n GLY 80 Ca 0.15 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.77 4.23 0.68 1.61 0.01 -0.92 -4.94 113.70 111.61 1ujv s SER 81 Ca 0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1ujv s SER 81 Cb 0.00 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.57 1ujv s SER 81 CO 0.00 0.02 1.18 -0.70 0.41 0.00 0.00 173.24 174.15 1ujv s GLU 82 N -3.54 2.48 0.03 12.44 -6.30 -1.26 -1.70 118.70 120.85 1ujv s GLU 82 Ca 0.30 1.67 0.01 0.00 -2.50 0.00 0.00 54.97 54.45 1ujv s GLU 82 Cb -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 34.13 32.16 1ujv s GLU 82 CO 0.18 -1.55 -0.05 0.99 0.02 0.00 0.00 175.26 174.84 1ujv s THR 83 N -2.01 0.34 -0.18 -1.70 2.01 0.12 -4.88 115.64 109.34 1ujv s THR 83 Ca 0.73 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1ujv s THR 83 Cb -0.27 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1ujv s THR 83 CO 0.42 -0.39 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.46 1ujv s SER 84 N -1.40 4.45 -0.16 3.53 0.01 -1.26 -1.15 113.70 117.72 1ujv s SER 84 Ca -0.11 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 1ujv s SER 84 Cb -0.09 -1.73 0.04 0.00 0.21 0.00 0.00 66.02 64.44 1ujv s SER 84 CO -0.00 0.09 -0.06 -0.76 0.41 0.00 0.00 173.24 172.92 1ujv s LEU 85 N 0.80 1.65 -0.22 2.44 1.02 -0.12 -0.39 118.68 123.87 1ujv s LEU 85 Ca -0.02 -0.65 -0.13 0.00 0.02 0.00 0.00 54.13 53.35 1ujv s LEU 85 Cb -0.15 -0.95 -0.05 0.00 0.02 0.00 0.00 46.19 45.07 1ujv s LEU 85 CO 0.02 -0.17 0.26 -0.63 0.02 0.00 0.00 176.35 175.84 1ujv s ILE 86 N 1.61 5.30 0.12 -0.59 1.01 -0.44 -0.96 121.20 127.25 1ujv s ILE 86 Ca 0.01 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.12 1ujv s ILE 86 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ujv s ILE 86 CO -0.08 0.31 -0.13 0.27 0.00 0.00 0.00 174.94 175.31 1ujv s ILE 87 N 1.10 1.26 -0.91 2.92 -5.25 0.01 -1.16 121.20 119.17 1ujv s ILE 87 Ca 0.12 -1.73 -0.01 0.00 -0.99 0.00 0.00 60.65 58.04 1ujv s ILE 87 Cb -0.14 -1.53 0.26 0.00 2.95 0.00 0.00 42.46 44.00 1ujv s ILE 87 CO 0.05 -0.46 1.01 1.57 -1.79 0.00 0.00 174.94 175.32 1ujv n HIS 88 N 0.48 3.61 -3.12 1.37 -0.00 0.49 -1.76 115.22 116.28 1ujv n HIS 88 Ca -0.15 -3.67 -0.36 0.00 0.46 0.00 0.00 57.72 54.00 1ujv n HIS 88 Cb 0.57 -1.09 -0.03 0.00 -0.12 0.00 0.00 29.99 29.33 1ujv n HIS 88 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1ujv n ARG 89 N 1.71 3.78 -3.16 1.57 0.63 -1.26 -4.41 116.66 115.52 1ujv n ARG 89 Ca 0.25 -4.63 0.02 0.00 -0.92 0.00 0.00 57.85 52.57 1ujv n ARG 89 Cb 0.37 -2.40 -0.01 0.00 0.45 0.00 0.00 32.46 30.87 1ujv n ARG 89 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ujv s GLY 90 N -2.12 -1.29 0.00 5.14 0.00 -1.26 -4.91 107.32 102.88 1ujv s GLY 90 Ca 0.36 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1ujv s GLY 90 CO 0.03 3.74 0.00 -1.26 0.00 0.00 0.00 173.10 175.61 1ujv n SER 91 N 4.56 0.00 -0.32 1.64 2.88 -1.26 -4.67 113.62 116.45 1ujv n SER 91 Ca 0.09 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ujv n SER 91 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ujv n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujv n GLY 92 N 0.00 2.55 3.30 0.46 0.00 -1.26 -5.07 105.19 105.17 1ujv n GLY 92 Ca 0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1ujv n GLY 92 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ujv n PRO 93 N 0.00 -1.19 -3.71 1.61 -0.02 -1.26 -5.07 135.00 125.37 1ujv n PRO 93 Ca 0.00 -0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.01 1ujv n PRO 93 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 1ujv n PRO 93 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ujv s SER 94 N -1.84 -0.34 -0.35 2.55 1.04 -1.26 -5.12 113.70 108.39 1ujv s SER 94 Ca 0.55 0.38 0.02 0.00 0.48 0.00 0.00 55.95 57.38 1ujv s SER 94 Cb -0.13 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.62 1ujv s SER 94 CO 0.67 -0.41 0.32 -0.44 0.98 0.00 0.00 173.24 174.35 1ujv s SER 95 N -0.96 1.73 0.00 7.02 0.01 -1.26 -5.37 113.70 114.86 1ujv s SER 95 Ca -0.10 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 55.60 1ujv s SER 95 Cb -0.04 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1ujv s SER 95 CO 0.05 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.01