#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl s SER 2 N 0.00 -0.28 0.22 1.61 1.04 -1.26 -5.18 113.70 109.86 1udl s SER 2 Ca 0.00 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.43 1udl s SER 2 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1udl s SER 2 CO 0.00 -0.71 0.23 -0.55 0.98 0.00 0.00 173.24 173.19 1udl s SER 3 N -2.17 5.75 0.00 7.02 0.15 -1.26 -5.02 113.70 118.18 1udl s SER 3 Ca -0.04 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1udl s SER 3 Cb -0.00 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1udl s SER 3 CO -0.04 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1udl n GLY 4 N -1.01 1.05 3.11 9.45 0.00 -1.26 -5.13 105.19 111.39 1udl n GLY 4 Ca -0.08 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1udl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udl s SER 5 N 0.00 4.50 -0.11 1.61 0.01 -1.26 -4.96 113.70 113.50 1udl s SER 5 Ca 0.00 -1.28 -0.08 0.00 1.31 0.00 0.00 55.95 55.90 1udl s SER 5 Cb 0.00 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 1udl s SER 5 CO 0.00 -0.20 -0.19 -0.24 0.41 0.00 0.00 173.24 173.02 1udl n SER 6 N 4.52 1.27 0.01 2.44 2.88 -1.26 -4.91 113.62 118.57 1udl n SER 6 Ca -0.14 0.21 -0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1udl n SER 6 Cb 0.43 -0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1udl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 7 N 2.20 -0.08 3.74 0.46 0.00 -1.26 -4.83 105.19 105.42 1udl n GLY 7 Ca -0.20 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1udl n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 8 N -1.62 4.35 -1.39 1.61 2.00 -1.26 -2.90 119.66 120.45 1udl s GLN 8 Ca -0.03 2.13 -0.09 0.00 -2.00 0.00 0.00 55.36 55.37 1udl s GLN 8 Cb 0.00 -3.16 0.03 0.00 0.80 0.00 0.00 33.01 30.68 1udl s GLN 8 CO 0.05 -0.29 1.10 1.63 -0.50 0.00 0.00 175.29 177.27 1udl n LYS 9 N 2.45 -7.09 -2.80 1.67 5.02 -1.26 -4.85 118.16 111.29 1udl n LYS 9 Ca 0.06 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.71 1udl n LYS 9 Cb 0.42 -5.75 0.01 0.00 -0.02 0.00 0.00 35.03 29.69 1udl n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1udl n GLY 10 N -1.83 5.75 3.55 0.72 0.00 -1.14 -4.92 105.19 107.33 1udl n GLY 10 Ca -0.03 -2.63 -0.43 0.00 0.00 0.00 0.00 46.02 42.94 1udl n GLY 10 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1udl s TRP 11 N -3.72 3.05 -0.15 1.61 -0.11 -1.26 -5.03 118.94 113.33 1udl s TRP 11 Ca 0.37 0.27 0.01 0.00 1.22 0.00 0.00 56.10 57.97 1udl s TRP 11 Cb 0.15 -3.51 0.02 0.00 -1.50 0.00 0.00 33.47 28.63 1udl s TRP 11 CO -0.04 -0.87 -0.18 -0.06 -4.62 0.00 0.00 176.95 171.18 1udl s PHE 12 N 3.13 2.46 1.11 5.86 0.40 -1.26 -5.13 117.98 124.55 1udl s PHE 12 Ca 0.29 -1.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.10 1udl s PHE 12 Cb -0.13 -1.73 0.24 0.00 0.51 0.00 0.00 43.02 41.91 1udl s PHE 12 CO 0.20 -0.69 1.10 -1.25 0.70 0.00 0.00 175.22 175.28 1udl s PRO 13 N 1.23 -0.46 -0.28 0.24 0.04 -1.26 -4.91 135.00 129.60 1udl s PRO 13 Ca 0.01 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.25 1udl s PRO 13 Cb -0.14 -1.66 0.20 0.00 0.04 0.00 0.00 34.50 32.94 1udl s PRO 13 CO -0.09 -3.26 1.96 0.00 0.04 0.00 0.00 177.00 175.65 1udl n ALA 14 N -4.49 4.90 -3.87 8.56 0.00 -1.26 -4.83 120.51 119.52 1udl n ALA 14 Ca 0.09 -1.46 -0.34 0.00 0.00 0.00 0.00 53.44 51.73 1udl n ALA 14 Cb 0.58 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 1udl n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1udl s SER 15 N 0.34 3.86 -0.38 0.00 1.04 -1.26 -5.09 113.70 112.22 1udl s SER 15 Ca 0.27 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 1udl s SER 15 Cb 0.22 -1.59 0.04 0.00 0.10 0.00 0.00 66.02 64.78 1udl s SER 15 CO 0.00 -0.06 0.20 -2.28 0.98 0.00 0.00 173.24 172.08 1udl s HIS 16 N 1.32 3.26 -0.12 5.02 2.46 -1.26 -5.07 115.29 120.89 1udl s HIS 16 Ca 0.02 -1.11 0.01 0.00 0.47 0.00 0.00 55.06 54.45 1udl s HIS 16 Cb -0.15 -2.48 -0.02 0.00 -0.13 0.00 0.00 32.58 29.80 1udl s HIS 16 CO -0.08 -0.69 -0.14 0.08 -2.47 0.00 0.00 174.74 171.45 1udl s VAL 17 N 1.51 3.00 -1.02 0.89 1.01 -1.26 -5.05 120.40 119.49 1udl s VAL 17 Ca 0.01 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1udl s VAL 17 Cb -0.20 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1udl s VAL 17 CO 0.06 0.53 1.62 -0.54 0.00 0.00 0.00 175.10 176.77 1udl s LYS 18 N 0.21 3.32 0.14 2.72 1.02 -1.26 -4.97 119.74 120.92 1udl s LYS 18 Ca -0.09 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1udl s LYS 18 Cb -0.15 -5.30 -0.07 0.00 -0.52 0.00 0.00 37.83 31.79 1udl s LYS 18 CO 0.05 -2.58 1.14 -0.51 -0.92 0.00 0.00 175.35 172.54 1udl s LEU 19 N 6.43 4.44 -0.49 3.17 1.02 -1.26 -4.98 118.68 127.01 1udl s LEU 19 Ca 0.54 2.07 0.08 0.00 0.02 0.00 0.00 54.13 56.84 1udl s LEU 19 Cb -0.01 -3.60 0.29 0.00 0.02 0.00 0.00 46.19 42.89 1udl s LEU 19 CO -0.05 -0.32 0.72 0.00 0.02 0.00 0.00 176.35 176.72 1udl n LEU 20 N 2.93 2.24 0.00 1.79 -0.00 -1.26 -5.09 117.00 117.61 1udl n LEU 20 Ca 0.05 -5.19 0.00 0.00 -0.00 0.00 0.00 56.01 50.87 1udl n LEU 20 Cb 0.46 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1udl n LEU 20 CO 0.55 2.18 0.00 0.61 -0.00 0.00 0.00 177.39 180.72 1udl n GLY 21 N 0.64 -0.54 0.00 1.47 0.00 -1.26 -4.60 105.19 100.90 1udl n GLY 21 Ca 0.27 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 44.12 1udl n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1udl n PRO 22 N -0.04 0.49 -2.26 1.61 -0.04 -1.26 -4.77 135.00 128.73 1udl n PRO 22 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1udl n PRO 22 Cb 0.00 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.13 1udl n PRO 22 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1udl s SER 23 N -1.84 6.13 -0.30 3.54 1.04 -1.26 -5.09 113.70 115.92 1udl s SER 23 Ca 0.16 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 57.54 1udl s SER 23 Cb 0.07 -2.26 0.18 0.00 0.10 0.00 0.00 66.02 64.11 1udl s SER 23 CO 0.12 -0.79 1.12 -0.55 0.98 0.00 0.00 173.24 174.12 1udl s SER 24 N -4.17 -0.35 0.36 7.02 0.15 -1.26 -4.70 113.70 110.75 1udl s SER 24 Ca 0.52 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.73 1udl s SER 24 Cb -0.11 1.39 -0.02 0.00 -1.71 0.00 0.00 66.02 65.57 1udl s SER 24 CO 0.49 -0.07 0.37 -1.83 1.20 0.00 0.00 173.24 173.40 1udl s GLU 25 N 2.20 2.76 -0.30 5.44 4.04 -1.26 -5.11 118.70 126.47 1udl s GLU 25 Ca -0.02 -1.30 0.03 0.00 0.04 0.00 0.00 54.97 53.72 1udl s GLU 25 Cb -0.04 -2.54 0.08 0.00 0.02 0.00 0.00 34.13 31.65 1udl s GLU 25 CO -0.17 -0.02 -0.03 1.03 -1.84 0.00 0.00 175.26 174.23 1udl s ARG 26 N -4.10 1.96 -0.40 -4.83 0.52 -1.26 -4.96 118.95 105.88 1udl s ARG 26 Ca 0.45 -1.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 1udl s ARG 26 Cb -0.06 -3.06 0.63 0.00 0.52 0.00 0.00 34.95 32.98 1udl s ARG 26 CO 0.28 -0.73 1.79 0.00 0.02 0.00 0.00 175.30 176.66 1udl n ALA 27 N 4.38 5.22 -3.72 2.13 0.00 -1.26 -4.84 120.51 122.43 1udl n ALA 27 Ca -0.07 -2.95 -0.37 0.00 0.00 0.00 0.00 53.44 50.05 1udl n ALA 27 Cb 0.42 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1udl n ALA 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1udl s THR 28 N -3.28 3.67 0.13 0.00 -4.23 -1.26 -4.93 115.64 105.73 1udl s THR 28 Ca 0.53 -2.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.22 1udl s THR 28 Cb 0.46 -3.42 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 1udl s THR 28 CO 0.08 -0.83 1.46 1.55 -0.54 0.00 0.00 174.62 176.33 1udl h PRO 29 N 7.33 0.85 -3.46 3.99 0.13 -2.06 -3.45 132.00 135.33 1udl h PRO 29 Ca -0.05 -0.45 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1udl h PRO 29 Cb 0.98 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 31.89 1udl h PRO 29 CO 0.72 1.09 -0.52 0.00 -0.23 0.00 0.00 178.00 179.06 1udl s ALA 30 N -4.39 -0.34 -0.08 -0.56 0.00 -1.26 -5.15 121.76 109.99 1udl s ALA 30 Ca -0.12 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 1udl s ALA 30 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1udl s ALA 30 CO 0.86 -0.15 0.56 -0.59 0.00 0.00 0.00 175.76 176.44 1udl s PHE 31 N -0.77 3.57 -0.26 0.00 -0.12 -1.26 -5.05 117.98 114.07 1udl s PHE 31 Ca -0.09 1.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.87 1udl s PHE 31 Cb -0.05 -2.63 0.06 0.00 -0.63 0.00 0.00 43.02 39.77 1udl s PHE 31 CO 0.01 0.19 -0.08 -3.38 -0.05 0.00 0.00 175.22 171.91 1udl s HIS 32 N 0.50 3.10 0.89 3.49 -3.43 -1.26 -5.12 115.29 113.46 1udl s HIS 32 Ca 0.30 -2.26 -0.11 0.00 -0.80 0.00 0.00 55.06 52.19 1udl s HIS 32 Cb -0.16 -1.94 0.12 0.00 -1.43 0.00 0.00 32.58 29.16 1udl s HIS 32 CO 0.14 -0.86 1.09 -1.25 -2.00 0.00 0.00 174.74 171.86 1udl s PRO 33 N 1.15 1.34 -0.12 -0.38 0.04 -1.26 -4.92 135.00 130.85 1udl s PRO 33 Ca -0.06 0.85 0.02 0.00 0.04 0.00 0.00 61.00 61.85 1udl s PRO 33 Cb -0.20 -1.82 -0.24 0.00 0.04 0.00 0.00 34.50 32.29 1udl s PRO 33 CO -0.06 -2.19 0.35 1.55 0.04 0.00 0.00 177.00 176.69 1udl n VAL 34 N -3.85 1.67 -3.83 -0.36 3.14 0.15 -4.93 118.33 110.32 1udl n VAL 34 Ca 0.07 -0.70 -0.07 0.00 -2.96 0.00 0.00 64.34 60.68 1udl n VAL 34 Cb 0.55 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1udl s GLN 36 N -3.09 3.01 0.42 0.00 0.74 -1.26 -0.88 119.66 118.61 1udl s GLN 36 Ca 0.14 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 54.74 1udl s GLN 36 Cb -0.05 -2.39 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 1udl s GLN 36 CO 0.08 0.03 0.03 0.14 -0.55 0.00 0.00 175.29 175.02 1udl s VAL 37 N 0.70 1.43 0.03 1.34 -7.23 -0.77 -2.55 120.40 113.35 1udl s VAL 37 Ca -0.10 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1udl s VAL 37 Cb -0.16 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1udl s VAL 37 CO 0.01 0.00 -0.14 -0.51 -0.31 0.00 0.00 175.10 174.14 1udl s ILE 38 N -2.93 1.15 0.11 -0.62 2.07 -1.04 -3.64 121.20 116.30 1udl s ILE 38 Ca 0.25 -0.92 -0.31 0.00 -1.41 0.00 0.00 60.65 58.27 1udl s ILE 38 Cb 0.06 -1.02 -0.08 0.00 0.13 0.00 0.00 42.46 41.56 1udl s ILE 38 CO 0.13 0.09 1.35 0.00 -1.91 0.00 0.00 174.94 174.60 1udl s ALA 39 N -0.72 3.56 -0.03 1.50 0.00 -1.25 -1.22 121.76 123.59 1udl s ALA 39 Ca 0.03 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.12 1udl s ALA 39 Cb -0.07 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.29 1udl s ALA 39 CO 0.01 -0.58 0.71 0.52 0.00 0.00 0.00 175.76 176.42 1udl h MET 40 N 6.70 0.09 -4.21 0.00 0.00 -1.27 -1.82 114.93 114.41 1udl h MET 40 Ca -0.42 -0.15 -0.22 0.00 0.00 0.00 0.00 59.70 58.91 1udl h MET 40 Cb 1.21 0.06 -0.21 0.00 0.00 0.00 0.00 31.60 32.65 1udl h MET 40 CO 0.85 0.78 -0.72 0.71 0.00 0.00 0.00 176.91 178.53 1udl s TYR 41 N -2.61 0.42 -0.58 -0.22 2.02 -1.26 -4.85 117.35 110.27 1udl s TYR 41 Ca -0.08 -0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 1udl s TYR 41 Cb 0.08 -0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.27 1udl s TYR 41 CO 0.82 -0.14 2.43 -0.25 -1.57 0.00 0.00 175.55 176.84 1udl n ASP 42 N 1.62 2.05 -4.73 2.29 8.00 -1.26 -4.20 116.55 120.32 1udl n ASP 42 Ca -0.23 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.21 1udl n ASP 42 Cb 0.55 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.05 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1udl s TYR 43 N 12.42 3.65 -0.25 1.24 6.14 0.30 -4.89 117.35 135.96 1udl s TYR 43 Ca 1.00 1.34 0.02 0.00 0.64 0.00 0.00 57.07 60.07 1udl s TYR 43 Cb -0.24 -2.80 0.06 0.00 0.42 0.00 0.00 41.96 39.41 1udl s TYR 43 CO 0.24 0.18 -0.09 0.00 0.64 0.00 0.00 175.55 176.53 1udl s ALA 44 N 0.38 2.37 -0.22 3.97 0.00 -1.26 0.66 121.76 127.67 1udl s ALA 44 Ca 0.38 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1udl s ALA 44 Cb -0.19 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1udl s ALA 44 CO 0.20 -1.21 1.52 0.00 0.00 0.00 0.00 175.76 176.27 1udl s ALA 45 N 1.20 3.36 0.60 0.00 0.00 -1.23 -4.87 121.76 120.82 1udl s ALA 45 Ca -0.07 0.44 0.32 0.00 0.00 0.00 0.00 51.96 52.64 1udl s ALA 45 Cb -0.20 -3.80 1.90 0.00 0.00 0.00 0.00 23.12 21.02 1udl s ALA 45 CO -0.06 -1.78 2.25 -2.95 0.00 0.00 0.00 175.76 173.23 1udl h ASN 46 N 10.05 0.00 -5.44 0.00 7.08 -1.93 -3.45 115.58 121.90 1udl h ASN 46 Ca -0.32 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.67 1udl h ASN 46 Cb 1.14 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.31 1udl h ASN 46 CO 1.00 0.00 -0.11 0.54 -2.08 0.00 0.00 177.43 176.78 1udl s ASN 47 N -5.93 0.76 0.41 6.14 6.03 -1.26 -5.04 114.94 116.05 1udl s ASN 47 Ca -0.05 -1.42 0.07 0.00 -1.03 0.00 0.00 52.86 50.43 1udl s ASN 47 Cb 0.15 0.69 0.85 0.00 -3.03 0.00 0.00 41.25 39.91 1udl s ASN 47 CO 0.52 -1.36 2.05 -0.33 -2.03 0.00 0.00 177.10 175.95 1udl h GLU 48 N 2.09 0.53 -0.95 3.55 4.39 -2.01 -2.01 114.58 120.16 1udl h GLU 48 Ca -0.29 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.57 1udl h GLU 48 Cb 1.24 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.69 1udl h GLU 48 CO 0.39 0.36 0.61 -0.44 -1.16 0.00 0.00 179.01 178.77 1udl h ASP 49 N 0.54 0.60 -1.77 1.42 3.32 -1.96 -3.42 116.42 115.15 1udl h ASP 49 Ca 0.14 0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.81 1udl h ASP 49 Cb -0.03 -0.05 0.04 0.00 0.22 0.00 0.00 39.33 39.51 1udl h ASP 49 CO -0.03 0.24 -0.12 -1.61 -1.72 0.00 0.00 179.24 176.00 1udl s GLU 50 N -5.64 2.51 -0.17 3.56 2.02 -0.76 -3.40 118.70 116.83 1udl s GLU 50 Ca -0.10 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 1udl s GLU 50 Cb 0.23 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1udl s GLU 50 CO 0.79 -0.65 -0.07 -1.17 0.02 0.00 0.00 175.26 174.18 1udl s LEU 51 N -4.63 2.94 -0.32 1.80 0.20 -1.16 -4.47 118.68 113.04 1udl s LEU 51 Ca 0.58 -0.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.99 1udl s LEU 51 Cb -0.09 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1udl s LEU 51 CO 0.37 0.11 0.22 -0.94 -0.29 0.00 0.00 176.35 175.82 1udl s SER 52 N 0.71 6.02 0.26 3.68 1.04 -1.26 -3.56 113.70 120.58 1udl s SER 52 Ca -0.04 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 1udl s SER 52 Cb -0.15 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 1udl s SER 52 CO 0.02 -0.17 0.29 0.72 0.98 0.00 0.00 173.24 175.08 1udl s PHE 53 N 1.73 1.07 0.32 5.02 -0.71 0.21 -4.87 117.98 120.75 1udl s PHE 53 Ca 0.06 -1.27 0.09 0.00 -1.04 0.00 0.00 56.93 54.78 1udl s PHE 53 Cb -0.17 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 1udl s PHE 53 CO 0.10 -0.84 0.00 -1.54 -1.34 0.00 0.00 175.22 171.61 1udl s SER 54 N -3.18 4.27 -0.23 1.98 1.04 -1.26 -0.54 113.70 115.78 1udl s SER 54 Ca 0.34 -0.89 -0.32 0.00 0.48 0.00 0.00 55.95 55.56 1udl s SER 54 Cb 0.03 -0.61 -0.09 0.00 0.10 0.00 0.00 66.02 65.45 1udl s SER 54 CO 0.15 -0.16 2.12 1.17 0.98 0.00 0.00 173.24 177.50 1udl n LYS 55 N -0.93 1.69 -0.10 4.02 4.81 -1.26 -1.23 118.16 125.17 1udl n LYS 55 Ca -0.05 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1udl n LYS 55 Cb 0.61 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1udl n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1udl n GLY 56 N 5.69 1.33 3.86 3.14 0.00 -0.69 -4.96 105.19 113.57 1udl n GLY 56 Ca 0.32 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1udl n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 57 N -0.56 3.42 -0.52 1.61 2.00 -0.36 -4.83 119.66 120.41 1udl s GLN 57 Ca 0.00 0.75 -0.25 0.00 -2.00 0.00 0.00 55.36 53.86 1udl s GLN 57 Cb 0.00 -2.06 0.03 0.00 0.80 0.00 0.00 33.01 31.78 1udl s GLN 57 CO 0.00 -0.70 0.96 -1.17 -0.50 0.00 0.00 175.29 173.88 1udl s LEU 58 N -5.25 4.00 -0.05 3.68 2.96 -1.26 -3.91 118.68 118.85 1udl s LEU 58 Ca 0.56 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1udl s LEU 58 Cb -0.11 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.58 1udl s LEU 58 CO 0.54 -1.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.63 1udl s ILE 59 N 3.98 1.08 -0.32 6.68 1.01 -1.24 -3.87 121.20 128.52 1udl s ILE 59 Ca 0.34 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1udl s ILE 59 Cb -0.11 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1udl s ILE 59 CO 0.23 0.33 0.04 0.20 0.00 0.00 0.00 174.94 175.74 1udl s ASN 60 N 0.35 4.56 0.12 3.58 0.01 -1.16 -1.85 114.94 120.55 1udl s ASN 60 Ca -0.08 -1.96 -0.33 0.00 -0.71 0.00 0.00 52.86 49.78 1udl s ASN 60 Cb -0.12 -1.46 -0.12 0.00 0.41 0.00 0.00 41.25 39.96 1udl s ASN 60 CO 0.02 -0.37 1.72 0.52 -1.51 0.00 0.00 177.10 177.49 1udl n VAL 61 N 4.40 0.20 -0.05 1.60 0.31 -0.06 -3.32 118.33 121.42 1udl n VAL 61 Ca 0.01 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 1udl n VAL 61 Cb 0.42 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 4.67 1.28 -3.65 5.55 0.00 -0.06 0.34 117.12 125.25 1udl n MET 62 Ca 0.18 0.03 -0.27 0.00 0.00 0.00 0.00 57.70 57.64 1udl n MET 62 Cb 0.32 -1.21 -0.16 0.00 0.00 0.00 0.00 33.22 32.17 1udl n MET 62 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1udl s ASN 63 N -4.60 2.76 -0.43 7.83 -0.87 -1.24 -4.14 114.94 114.25 1udl s ASN 63 Ca -0.10 -0.81 0.04 0.00 -1.57 0.00 0.00 52.86 50.42 1udl s ASN 63 Cb 0.03 -0.41 0.50 0.00 -0.02 0.00 0.00 41.25 41.35 1udl s ASN 63 CO 0.28 -0.35 1.65 2.29 -2.57 0.00 0.00 177.10 178.40 1udl n LYS 64 N 5.17 2.59 -0.34 -0.60 2.85 -1.26 -2.65 118.16 123.92 1udl n LYS 64 Ca -0.07 -3.44 0.14 0.00 -1.05 0.00 0.00 58.31 53.89 1udl n LYS 64 Cb 0.47 -2.13 0.35 0.00 -0.65 0.00 0.00 35.03 33.07 1udl n LYS 64 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1udl h ASP 65 N 1.60 0.74 -3.47 -5.58 1.82 -1.92 -3.37 116.42 106.23 1udl h ASP 65 Ca 0.44 0.09 -0.61 0.00 -0.39 0.00 0.00 57.03 56.57 1udl h ASP 65 Cb 1.54 -0.04 -0.11 0.00 0.68 0.00 0.00 39.33 41.41 1udl h ASP 65 CO 0.96 0.25 0.14 -0.62 -1.61 0.00 0.00 179.24 178.37 1udl s ASP 66 N -5.42 6.58 0.00 2.28 -1.08 -1.25 -4.93 116.67 112.86 1udl s ASP 66 Ca -0.11 0.71 0.15 0.00 -0.52 0.00 0.00 52.55 52.79 1udl s ASP 66 Cb 0.25 -2.33 0.90 0.00 -1.46 0.00 0.00 42.92 40.28 1udl s ASP 66 CO 0.80 -0.35 1.35 -0.81 0.52 0.00 0.00 175.17 176.68 1udl n PRO 67 N 5.58 0.45 -0.04 4.34 -0.04 -1.26 -2.91 135.00 141.13 1udl n PRO 67 Ca -0.01 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1udl n PRO 67 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1udl n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1udl n ASP 68 N -1.03 3.37 -4.28 3.54 9.92 -1.26 -4.89 116.55 121.92 1udl n ASP 68 Ca 0.11 -0.04 -0.28 0.00 -0.53 0.00 0.00 54.79 54.05 1udl n ASP 68 Cb 0.06 -0.06 -0.15 0.00 -0.64 0.00 0.00 41.12 40.34 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1udl s TRP 69 N -2.16 2.02 0.24 1.24 0.52 -1.15 -0.25 118.94 119.41 1udl s TRP 69 Ca -0.10 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.71 1udl s TRP 69 Cb 0.03 -1.22 -0.05 0.00 -1.15 0.00 0.00 33.47 31.07 1udl s TRP 69 CO 0.19 0.08 -0.12 -1.58 0.02 0.00 0.00 176.95 175.54 1udl s TRP 70 N -0.75 1.88 -0.16 -1.98 0.51 0.42 -3.84 118.94 115.02 1udl s TRP 70 Ca 0.09 -0.59 0.01 0.00 -2.12 0.00 0.00 56.10 53.49 1udl s TRP 70 Cb -0.09 -0.94 0.00 0.00 -0.81 0.00 0.00 33.47 31.63 1udl s TRP 70 CO 0.01 0.38 -0.17 -1.14 -0.51 0.00 0.00 176.95 175.52 1udl s GLN 71 N -3.66 3.14 0.38 4.98 0.74 -1.08 -2.71 119.66 121.45 1udl s GLN 71 Ca 0.26 -0.79 0.04 0.00 0.05 0.00 0.00 55.36 54.93 1udl s GLN 71 Cb 0.00 -2.58 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 1udl s GLN 71 CO 0.10 -0.03 0.15 0.20 -0.55 0.00 0.00 175.29 175.16 1udl s GLY 72 N 0.90 2.47 0.01 2.59 0.00 -1.26 -0.88 107.32 111.15 1udl s GLY 72 Ca -0.04 -1.46 0.06 0.00 0.00 0.00 0.00 44.72 43.28 1udl s GLY 72 CO -0.02 -1.74 -0.19 -1.83 0.00 0.00 0.00 173.10 169.32 1udl s GLU 73 N -3.69 1.39 -0.30 2.90 4.04 -1.21 -3.61 118.70 118.23 1udl s GLU 73 Ca 0.28 -0.76 -0.02 0.00 0.04 0.00 0.00 54.97 54.52 1udl s GLU 73 Cb 0.03 -1.40 0.10 0.00 0.02 0.00 0.00 34.13 32.87 1udl s GLU 73 CO 0.17 0.37 0.11 0.42 -1.84 0.00 0.00 175.26 174.49 1udl s ILE 74 N -0.59 0.51 -0.91 1.83 1.01 0.12 -3.00 121.20 120.17 1udl s ILE 74 Ca 0.07 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1udl s ILE 74 Cb -0.08 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 1udl s ILE 74 CO 0.00 -0.67 0.76 0.59 0.00 0.00 0.00 174.94 175.62 1udl n ASN 75 N 5.01 -2.24 0.00 3.58 3.02 -1.26 -2.29 115.26 121.07 1udl n ASN 75 Ca -0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1udl n ASN 75 Cb 0.42 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1udl n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1udl n GLY 76 N -1.11 0.50 3.82 7.41 0.00 -1.26 -4.99 105.19 109.56 1udl n GLY 76 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1udl n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udl s VAL 77 N -2.37 4.84 0.08 1.61 0.11 -0.97 -5.12 120.40 118.57 1udl s VAL 77 Ca 0.00 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1udl s VAL 77 Cb 0.00 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1udl s VAL 77 CO 0.00 0.20 -0.16 0.42 -3.33 0.00 0.00 175.10 172.22 1udl s THR 78 N -1.36 1.32 0.00 5.04 -4.23 -1.26 0.14 115.64 115.29 1udl s THR 78 Ca 0.29 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1udl s THR 78 Cb -0.12 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1udl s THR 78 CO 0.21 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1udl n GLY 79 N 1.17 3.33 2.90 3.99 0.00 -1.24 -4.86 105.19 110.47 1udl n GLY 79 Ca -0.20 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1udl n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udl s LEU 80 N 0.00 0.74 0.04 0.99 1.43 -1.22 -4.49 118.68 116.17 1udl s LEU 80 Ca 0.00 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1udl s LEU 80 Cb 0.00 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.54 1udl s LEU 80 CO 0.00 -0.15 0.26 0.72 0.23 0.00 0.00 176.35 177.41 1udl s PHE 81 N 1.20 -0.04 0.50 0.29 -0.12 -1.10 -2.97 117.98 115.74 1udl s PHE 81 Ca -0.09 -0.13 -0.21 0.00 -0.05 0.00 0.00 56.93 56.45 1udl s PHE 81 Cb -0.12 0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.25 1udl s PHE 81 CO -0.06 -0.47 1.15 -1.25 -0.05 0.00 0.00 175.22 174.54 1udl s PRO 82 N -2.56 3.56 0.00 1.99 0.04 -1.26 -0.44 135.00 136.33 1udl s PRO 82 Ca -0.05 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1udl s PRO 82 Cb -0.01 -2.20 0.15 0.00 0.04 0.00 0.00 34.50 32.48 1udl s PRO 82 CO -0.04 -0.70 1.00 -1.13 0.04 0.00 0.00 177.00 176.17 1udl n SER 83 N -0.89 0.00 -0.00 6.66 3.41 0.66 -2.62 113.62 120.83 1udl n SER 83 Ca 0.09 -1.71 0.08 0.00 -0.26 0.00 0.00 58.87 57.07 1udl n SER 83 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1udl n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1udl n ASN 84 N -0.54 0.97 -0.99 4.04 0.23 -1.26 -4.30 115.26 113.41 1udl n ASN 84 Ca 0.02 -0.52 0.09 0.00 -0.53 0.00 0.00 54.58 53.65 1udl n ASN 84 Cb 0.01 1.30 0.25 0.00 -2.08 0.00 0.00 39.78 39.26 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1udl n TYR 85 N -1.65 0.67 -4.08 -2.53 4.02 -1.08 -4.89 117.16 107.62 1udl n TYR 85 Ca 0.01 -0.34 -0.14 0.00 -0.01 0.00 0.00 57.90 57.42 1udl n TYR 85 Cb 0.31 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.51 1udl n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1udl s VAL 86 N -1.33 0.48 -0.14 -0.72 -7.23 -1.26 -0.72 120.40 109.49 1udl s VAL 86 Ca 0.37 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1udl s VAL 86 Cb 0.19 -0.51 0.02 0.00 0.56 0.00 0.00 36.38 36.64 1udl s VAL 86 CO 0.26 -0.24 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.91 1udl s LYS 87 N -1.14 2.32 -0.34 4.82 2.20 -0.36 -4.90 119.74 122.34 1udl s LYS 87 Ca -0.07 -0.57 -0.42 0.00 -0.36 0.00 0.00 55.97 54.55 1udl s LYS 87 Cb -0.08 -2.07 -0.17 0.00 -1.51 0.00 0.00 37.83 34.01 1udl s LYS 87 CO 0.00 -0.18 1.73 -1.33 -0.36 0.00 0.00 175.35 175.21 1udl n MET 88 N 4.58 0.86 -0.08 4.03 2.81 -1.26 -2.49 117.12 125.57 1udl n MET 88 Ca -0.18 0.31 -0.06 0.00 -1.81 0.00 0.00 57.70 55.96 1udl n MET 88 Cb 0.50 -1.96 0.12 0.00 -0.71 0.00 0.00 33.22 31.17 1udl n MET 88 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1udl h THR 89 N 5.25 1.26 -5.28 2.03 1.35 -1.81 -3.47 112.91 112.24 1udl h THR 89 Ca -0.45 -1.24 -0.38 0.00 -0.55 0.00 0.00 66.41 63.80 1udl h THR 89 Cb 1.33 1.13 0.12 0.00 -1.73 0.00 0.00 68.15 69.00 1udl h THR 89 CO 0.97 0.42 -0.62 0.41 -0.25 0.00 0.00 175.52 176.44 1udl n THR 90 N -4.14 -2.63 -2.39 6.82 -1.04 -1.26 -4.92 114.28 104.72 1udl n THR 90 Ca 0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.85 1udl n THR 90 Cb 0.39 -3.74 0.02 0.00 -1.82 0.00 0.00 70.33 65.18 1udl n THR 90 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1udl n ASP 91 N -2.64 3.64 -4.71 8.00 -0.08 -1.26 -5.06 116.55 114.44 1udl n ASP 91 Ca -0.01 -3.19 -0.33 0.00 -1.51 0.00 0.00 54.79 49.75 1udl n ASP 91 Cb 0.57 -0.42 -0.08 0.00 2.34 0.00 0.00 41.12 43.52 1udl n ASP 91 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1udl s SER 92 N -3.58 5.27 0.61 1.67 1.04 -1.26 -5.11 113.70 112.33 1udl s SER 92 Ca 0.42 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.93 1udl s SER 92 Cb 0.39 -1.42 0.09 0.00 0.10 0.00 0.00 66.02 65.18 1udl s SER 92 CO -0.03 0.28 0.84 -0.94 0.98 0.00 0.00 173.24 174.37 1udl s SER 93 N -1.60 4.91 0.00 7.02 1.04 -1.26 -5.11 113.70 118.69 1udl s SER 93 Ca 0.20 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1udl s SER 93 Cb -0.12 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1udl s SER 93 CO 0.11 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1udl n GLY 94 N -2.42 -3.07 3.65 7.32 0.00 -1.26 -4.86 105.19 104.55 1udl n GLY 94 Ca 0.14 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1udl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 95 N 0.00 4.13 -0.81 1.61 0.04 -1.26 -4.95 135.00 133.77 1udl s PRO 95 Ca 0.00 1.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1udl s PRO 95 Cb 0.00 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.63 1udl s PRO 95 CO 0.00 -0.88 1.45 -1.12 0.04 0.00 0.00 177.00 176.49 1udl s SER 96 N 3.10 6.07 -0.20 6.66 0.01 -1.26 -4.97 113.70 123.11 1udl s SER 96 Ca 0.68 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1udl s SER 96 Cb -0.29 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1udl s SER 96 CO 0.25 -1.88 1.30 -0.44 0.41 0.00 0.00 173.24 172.88 1udl s SER 97 N 4.94 6.85 0.00 2.44 0.01 -1.26 -5.29 113.70 121.39 1udl s SER 97 Ca 0.45 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.29 1udl s SER 97 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1udl s SER 97 CO 0.08 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.48