#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 6.40 0.29 1.61 1.04 -1.26 -5.02 113.70 116.76 1udl s SER 2 Ca 0.00 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.52 1udl s SER 2 Cb 0.00 -2.29 -0.12 0.00 0.10 0.00 0.00 66.02 63.70 1udl s SER 2 CO 0.00 -0.43 0.13 -1.20 0.98 0.00 0.00 173.24 172.72 1udl n SER 3 N 5.74 -2.01 -3.15 7.02 7.64 -1.26 -4.97 113.62 122.63 1udl n SER 3 Ca -0.03 0.68 0.05 0.00 1.01 0.00 0.00 58.87 60.57 1udl n SER 3 Cb 0.49 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 1udl n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1udl s GLY 4 N -0.78 -0.70 0.28 0.23 0.00 -1.26 -5.15 107.32 99.94 1udl s GLY 4 Ca 0.47 2.26 -0.28 0.00 0.00 0.00 0.00 44.72 47.17 1udl s GLY 4 CO 0.48 3.76 0.98 -0.56 0.00 0.00 0.00 173.10 177.76 1udl s SER 5 N 2.92 7.42 -0.20 1.64 0.01 -1.26 -4.94 113.70 119.29 1udl s SER 5 Ca 0.10 1.99 -0.05 0.00 1.31 0.00 0.00 55.95 59.31 1udl s SER 5 Cb -0.10 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.42 1udl s SER 5 CO -0.17 -0.01 3.17 -0.24 0.41 0.00 0.00 173.24 176.39 1udl n SER 6 N 1.06 5.80 0.00 2.44 2.88 -1.26 -4.91 113.62 119.62 1udl n SER 6 Ca -0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1udl n SER 6 Cb 0.48 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 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 1.72 1.25 3.35 0.46 0.00 -1.26 -4.67 105.19 106.04 1udl n GLY 7 Ca 0.44 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 1udl n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1udl s GLN 8 N 0.00 1.82 -0.13 1.61 -0.21 -1.26 -5.14 119.66 116.35 1udl s GLN 8 Ca 0.00 -1.11 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 1udl s GLN 8 Cb 0.00 -1.99 0.04 0.00 1.00 0.00 0.00 33.01 32.06 1udl s GLN 8 CO 0.00 0.51 0.40 -1.59 -2.12 0.00 0.00 175.29 172.49 1udl s LYS 9 N -1.25 0.51 -0.34 2.91 -2.85 -1.26 -5.07 119.74 112.39 1udl s LYS 9 Ca 0.12 0.45 0.16 0.00 -1.00 0.00 0.00 55.97 55.70 1udl s LYS 9 Cb -0.10 0.25 0.44 0.00 -2.06 0.00 0.00 37.83 36.36 1udl s LYS 9 CO 0.02 -0.08 1.12 0.41 0.10 0.00 0.00 175.35 176.92 1udl n GLY 10 N 2.59 1.53 2.90 0.59 0.00 -1.26 -5.07 105.19 106.48 1udl n GLY 10 Ca -0.14 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.10 2.18 -0.19 1.61 -0.11 -1.26 -5.03 118.94 114.04 1udl s TRP 11 Ca 0.25 -1.63 -0.02 0.00 1.22 0.00 0.00 56.10 55.92 1udl s TRP 11 Cb 0.43 -1.51 -0.00 0.00 -1.50 0.00 0.00 33.47 30.88 1udl s TRP 11 CO -0.02 -0.75 -0.10 0.12 -4.62 0.00 0.00 176.95 171.58 1udl s PHE 12 N 1.47 2.88 1.06 5.86 5.36 -1.26 -5.12 117.98 128.23 1udl s PHE 12 Ca -0.04 -1.03 -0.14 0.00 -0.96 0.00 0.00 56.93 54.76 1udl s PHE 12 Cb -0.19 -2.00 0.22 0.00 -0.34 0.00 0.00 43.02 40.72 1udl s PHE 12 CO -0.07 -0.52 1.10 -1.25 -1.46 0.00 0.00 175.22 173.01 1udl s PRO 13 N 1.15 -0.08 -0.45 10.12 0.04 -1.26 -4.93 135.00 139.59 1udl s PRO 13 Ca 0.01 0.35 0.03 0.00 0.04 0.00 0.00 61.00 61.43 1udl s PRO 13 Cb -0.14 -1.69 0.46 0.00 0.04 0.00 0.00 34.50 33.16 1udl s PRO 13 CO -0.03 -3.04 1.57 0.00 0.04 0.00 0.00 177.00 175.54 1udl n ALA 14 N -4.36 5.54 -2.15 8.56 0.00 -1.26 -5.02 120.51 121.83 1udl n ALA 14 Ca 0.07 -3.61 -0.39 0.00 0.00 0.00 0.00 53.44 49.50 1udl n ALA 14 Cb 0.58 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.77 7.26 0.49 0.00 1.04 -1.26 -5.07 113.70 113.39 1udl s SER 15 Ca 0.57 1.50 -0.05 0.00 0.48 0.00 0.00 55.95 58.45 1udl s SER 15 Cb 0.45 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 1udl s SER 15 CO 0.02 0.18 0.78 -2.28 0.98 0.00 0.00 173.24 172.93 1udl s HIS 16 N -0.89 3.49 -0.50 5.02 2.46 -1.26 -5.06 115.29 118.55 1udl s HIS 16 Ca 0.34 0.73 0.04 0.00 0.47 0.00 0.00 55.06 56.64 1udl s HIS 16 Cb -0.22 -2.35 0.13 0.00 -0.13 0.00 0.00 32.58 30.02 1udl s HIS 16 CO 0.24 -0.35 0.24 0.14 -2.47 0.00 0.00 174.74 172.54 1udl s VAL 17 N -2.75 2.42 -0.59 0.89 -7.23 -1.26 -4.95 120.40 106.92 1udl s VAL 17 Ca 0.48 -3.16 0.02 0.00 -1.81 0.00 0.00 61.98 57.51 1udl s VAL 17 Cb -0.10 -2.69 0.40 0.00 0.56 0.00 0.00 36.38 34.56 1udl s VAL 17 CO 0.44 -0.80 1.55 2.29 -0.31 0.00 0.00 175.10 178.27 1udl n LYS 18 N 3.24 3.13 -4.02 4.82 0.00 -1.26 -5.02 118.16 119.05 1udl n LYS 18 Ca 0.05 -3.98 -0.29 0.00 -0.00 0.00 0.00 58.31 54.10 1udl n LYS 18 Cb 0.33 -2.27 -0.05 0.00 -0.00 0.00 0.00 35.03 33.04 1udl n LYS 18 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1udl s LEU 19 N -3.77 3.99 -0.43 -5.58 -0.00 -1.26 -5.03 118.68 106.60 1udl s LEU 19 Ca 0.52 0.03 0.04 0.00 -0.00 0.00 0.00 54.13 54.72 1udl s LEU 19 Cb 0.43 -2.62 0.48 0.00 -0.00 0.00 0.00 46.19 44.48 1udl s LEU 19 CO -0.22 0.12 1.59 0.18 -0.00 0.00 0.00 176.35 178.03 1udl n LEU 20 N 0.01 5.84 0.00 1.48 4.77 -1.26 -5.01 117.00 122.83 1udl n LEU 20 Ca -0.08 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.60 1udl n LEU 20 Cb 0.53 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1udl n LEU 20 CO 0.46 1.63 0.00 0.61 -1.33 0.00 0.00 177.39 178.76 1udl n GLY 21 N -0.91 -1.50 0.00 -0.72 0.00 -1.26 -4.97 105.19 95.83 1udl n GLY 21 Ca 0.49 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.21 0.49 -4.71 1.61 -0.04 -1.26 -4.68 135.00 126.20 1udl n PRO 22 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1udl n PRO 22 Cb 0.00 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1udl n PRO 22 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1udl s SER 23 N -1.85 3.36 -0.30 3.54 0.01 -1.26 -5.11 113.70 112.09 1udl s SER 23 Ca 0.16 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 1udl s SER 23 Cb 0.07 -0.35 0.18 0.00 0.21 0.00 0.00 66.02 66.14 1udl s SER 23 CO 0.12 0.24 0.84 -0.55 0.41 0.00 0.00 173.24 174.30 1udl s SER 24 N -1.52 -0.88 -0.23 2.44 0.15 -1.26 -4.62 113.70 107.78 1udl s SER 24 Ca 0.13 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1udl s SER 24 Cb -0.10 1.77 0.03 0.00 -1.71 0.00 0.00 66.02 66.01 1udl s SER 24 CO 0.04 -0.17 -0.11 -1.61 1.20 0.00 0.00 173.24 172.59 1udl s GLU 25 N 2.87 2.69 -0.37 5.44 0.41 -1.26 -5.09 118.70 123.39 1udl s GLU 25 Ca 0.08 -1.05 -0.14 0.00 -0.41 0.00 0.00 54.97 53.45 1udl s GLU 25 Cb -0.12 -2.84 -0.00 0.00 -1.78 0.00 0.00 34.13 29.39 1udl s GLU 25 CO -0.16 -0.40 0.29 1.03 -0.49 0.00 0.00 175.26 175.52 1udl s ARG 26 N 1.25 3.28 -0.05 1.61 0.52 -1.26 -4.90 118.95 119.40 1udl s ARG 26 Ca -0.01 -0.77 0.20 0.00 -0.52 0.00 0.00 55.73 54.63 1udl s ARG 26 Cb -0.17 -3.88 0.39 0.00 0.52 0.00 0.00 34.95 31.81 1udl s ARG 26 CO -0.07 -0.59 1.17 0.00 0.02 0.00 0.00 175.30 175.82 1udl n ALA 27 N 5.18 2.63 -2.88 2.13 0.00 -1.26 -5.06 120.51 121.26 1udl n ALA 27 Ca -0.11 -2.47 -0.35 0.00 0.00 0.00 0.00 53.44 50.51 1udl n ALA 27 Cb 0.48 -0.62 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.84 4.62 -2.00 0.00 -4.23 -1.26 -4.97 115.64 106.96 1udl s THR 28 Ca 0.32 -0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1udl s THR 28 Cb 0.35 -3.10 0.40 0.00 1.34 0.00 0.00 72.50 71.49 1udl s THR 28 CO -0.13 0.42 1.27 -0.81 -0.54 0.00 0.00 174.62 174.83 1udl n PRO 29 N 4.00 0.49 -1.21 3.99 -0.04 -1.26 -4.51 135.00 136.46 1udl n PRO 29 Ca -0.16 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1udl n PRO 29 Cb 0.52 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1udl n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl n ALA 30 N -0.95 2.26 -2.42 0.55 0.00 -1.26 -4.86 120.51 113.83 1udl n ALA 30 Ca 0.11 -3.05 -0.29 0.00 0.00 0.00 0.00 53.44 50.21 1udl n ALA 30 Cb 0.05 -3.61 -0.12 0.00 0.00 0.00 0.00 19.45 15.76 1udl n ALA 30 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1udl s PHE 31 N 7.43 2.35 -0.27 0.00 -0.12 -1.26 -5.12 117.98 120.99 1udl s PHE 31 Ca 0.64 -0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 1udl s PHE 31 Cb 0.10 -1.24 0.08 0.00 -0.63 0.00 0.00 43.02 41.34 1udl s PHE 31 CO 0.18 0.38 0.06 -3.38 -0.05 0.00 0.00 175.22 172.41 1udl s HIS 32 N -1.21 1.75 1.09 3.49 -3.43 -1.26 -5.13 115.29 110.58 1udl s HIS 32 Ca 0.16 -1.59 -0.15 0.00 -0.80 0.00 0.00 55.06 52.68 1udl s HIS 32 Cb -0.10 -1.59 0.23 0.00 -1.43 0.00 0.00 32.58 29.70 1udl s HIS 32 CO 0.08 -0.80 1.10 -1.25 -2.00 0.00 0.00 174.74 171.87 1udl s PRO 33 N 1.60 -0.31 -0.07 -0.38 0.04 -1.26 -4.96 135.00 129.66 1udl s PRO 33 Ca 0.05 0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.41 1udl s PRO 33 Cb -0.18 -1.67 -0.24 0.00 0.04 0.00 0.00 34.50 32.45 1udl s PRO 33 CO -0.17 -3.17 0.55 1.33 0.04 0.00 0.00 177.00 175.57 1udl n VAL 34 N -4.44 1.67 -3.62 -0.36 0.24 0.79 -4.95 118.33 107.66 1udl n VAL 34 Ca 0.08 -0.75 -0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1udl n VAL 34 Cb 0.58 -1.28 -0.01 0.00 -1.47 0.00 0.00 33.84 31.66 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1udl s GLN 36 N -2.49 3.67 0.44 0.00 0.74 -1.26 -1.44 119.66 119.32 1udl s GLN 36 Ca 0.13 -0.49 0.06 0.00 0.05 0.00 0.00 55.36 55.11 1udl s GLN 36 Cb 0.03 -3.16 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1udl s GLN 36 CO -0.04 -0.01 0.10 0.14 -0.55 0.00 0.00 175.29 174.94 1udl s VAL 37 N 1.08 1.90 -0.01 1.34 -7.23 -0.71 -1.51 120.40 115.27 1udl s VAL 37 Ca 0.03 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1udl s VAL 37 Cb -0.14 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1udl s VAL 37 CO 0.02 0.00 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.15 1udl s ILE 38 N -2.71 1.22 -0.01 -0.62 2.07 0.07 -3.46 121.20 117.75 1udl s ILE 38 Ca 0.31 -0.69 -0.30 0.00 -1.41 0.00 0.00 60.65 58.56 1udl s ILE 38 Cb 0.05 -1.02 -0.06 0.00 0.13 0.00 0.00 42.46 41.57 1udl s ILE 38 CO 0.17 0.32 1.47 0.00 -1.91 0.00 0.00 174.94 174.99 1udl s ALA 39 N -0.40 3.61 0.11 1.50 0.00 -1.25 -0.44 121.76 124.90 1udl s ALA 39 Ca 0.06 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1udl s ALA 39 Cb -0.06 -3.64 -0.21 0.00 0.00 0.00 0.00 23.12 19.21 1udl s ALA 39 CO -0.00 -1.06 1.24 0.52 0.00 0.00 0.00 175.76 176.46 1udl h MET 40 N 8.26 0.11 -4.32 0.00 0.00 -1.30 -0.04 114.93 117.64 1udl h MET 40 Ca -0.38 -0.17 -0.18 0.00 0.00 0.00 0.00 59.70 58.97 1udl h MET 40 Cb 1.17 0.06 -0.18 0.00 0.00 0.00 0.00 31.60 32.66 1udl h MET 40 CO 0.92 1.07 -0.70 0.71 0.00 0.00 0.00 176.91 178.91 1udl s TYR 41 N -2.74 0.56 -0.62 -0.22 2.02 -1.26 -4.81 117.35 110.28 1udl s TYR 41 Ca -0.01 -0.80 -0.26 0.00 -0.37 0.00 0.00 57.07 55.62 1udl s TYR 41 Cb 0.09 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.24 1udl s TYR 41 CO 0.84 -0.23 2.03 -0.51 -1.57 0.00 0.00 175.55 176.11 1udl s ASP 42 N -2.35 4.98 -0.08 2.29 1.11 -1.26 -4.03 116.67 117.33 1udl s ASP 42 Ca -0.01 0.40 -0.25 0.00 0.18 0.00 0.00 52.55 52.87 1udl s ASP 42 Cb -0.00 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 1udl s ASP 42 CO -0.05 -2.61 0.79 -0.47 1.18 0.00 0.00 175.17 174.00 1udl s TYR 43 N 10.23 3.55 -0.36 4.23 6.14 -0.24 -4.86 117.35 136.05 1udl s TYR 43 Ca 0.76 1.34 0.01 0.00 0.64 0.00 0.00 57.07 59.82 1udl s TYR 43 Cb -0.13 -2.92 0.10 0.00 0.42 0.00 0.00 41.96 39.43 1udl s TYR 43 CO 0.19 -0.01 0.11 0.00 0.64 0.00 0.00 175.55 176.47 1udl s ALA 44 N 1.17 2.99 0.07 3.97 0.00 -1.26 0.27 121.76 128.97 1udl s ALA 44 Ca 0.41 -2.49 -0.31 0.00 0.00 0.00 0.00 51.96 49.57 1udl s ALA 44 Cb -0.18 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 1udl s ALA 44 CO 0.19 -1.71 1.78 0.00 0.00 0.00 0.00 175.76 176.02 1udl s ALA 45 N 1.02 3.69 -0.24 0.00 0.00 -1.24 -4.86 121.76 120.11 1udl s ALA 45 Ca 0.09 1.30 0.28 0.00 0.00 0.00 0.00 51.96 53.62 1udl s ALA 45 Cb -0.21 -3.76 1.11 0.00 0.00 0.00 0.00 23.12 20.27 1udl s ALA 45 CO -0.06 -1.28 1.83 -2.95 0.00 0.00 0.00 175.76 173.30 1udl h ASN 46 N 9.02 0.00 -3.18 0.00 7.08 -1.93 -3.45 115.58 123.12 1udl h ASN 46 Ca -0.45 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 52.65 1udl h ASN 46 Cb 1.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.43 1udl h ASN 46 CO 0.94 0.00 0.10 -0.46 -2.08 0.00 0.00 177.43 175.93 1udl n ASN 47 N -2.65 -1.74 0.14 6.14 2.04 -1.26 -5.03 115.26 112.89 1udl n ASN 47 Ca 0.02 -2.55 0.03 0.00 -0.44 0.00 0.00 54.58 51.64 1udl n ASN 47 Cb 0.29 3.00 0.41 0.00 -2.53 0.00 0.00 39.78 40.95 1udl n ASN 47 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1udl h GLU 48 N 0.00 0.17 -0.76 -3.83 4.11 -2.01 -2.45 114.58 109.81 1udl h GLU 48 Ca -0.28 -0.04 0.16 0.00 0.07 0.00 0.00 59.36 59.27 1udl h GLU 48 Cb 1.10 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1udl h GLU 48 CO 0.36 0.34 0.51 0.22 0.07 0.00 0.00 179.01 180.52 1udl h ASP 49 N 0.17 0.34 -1.32 3.06 1.82 -1.96 -3.42 116.42 115.10 1udl h ASP 49 Ca 0.03 0.02 -0.46 0.00 -0.39 0.00 0.00 57.03 56.24 1udl h ASP 49 Cb 0.39 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1udl h ASP 49 CO 0.02 0.17 -0.27 -1.61 -1.61 0.00 0.00 179.24 175.95 1udl s GLU 50 N -5.36 2.65 -0.19 0.28 2.02 -0.92 -3.52 118.70 113.66 1udl s GLU 50 Ca -0.08 -1.41 -0.04 0.00 0.02 0.00 0.00 54.97 53.47 1udl s GLU 50 Cb 0.21 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1udl s GLU 50 CO 0.77 -0.36 -0.04 -1.17 0.02 0.00 0.00 175.26 174.48 1udl s LEU 51 N -4.34 3.05 -0.38 1.80 0.20 -0.59 -4.31 118.68 114.11 1udl s LEU 51 Ca 0.53 -0.27 -0.18 0.00 0.69 0.00 0.00 54.13 54.91 1udl s LEU 51 Cb -0.07 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1udl s LEU 51 CO 0.32 0.07 0.48 -0.94 -0.29 0.00 0.00 176.35 175.99 1udl s SER 52 N 0.94 6.25 0.24 3.68 1.04 -1.26 -3.73 113.70 120.86 1udl s SER 52 Ca -0.00 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1udl s SER 52 Cb -0.15 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1udl s SER 52 CO 0.01 -0.52 0.18 0.72 0.98 0.00 0.00 173.24 174.61 1udl s PHE 53 N 2.30 1.32 0.33 5.02 -0.71 0.14 -4.88 117.98 121.50 1udl s PHE 53 Ca 0.16 -1.45 0.09 0.00 -1.04 0.00 0.00 56.93 54.69 1udl s PHE 53 Cb -0.16 -0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 41.02 1udl s PHE 53 CO 0.14 -0.72 0.05 -1.54 -1.34 0.00 0.00 175.22 171.81 1udl s SER 54 N -3.22 4.39 -0.12 1.98 1.04 -1.26 -1.08 113.70 115.43 1udl s SER 54 Ca 0.39 -0.87 -0.32 0.00 0.48 0.00 0.00 55.95 55.63 1udl s SER 54 Cb 0.05 -0.64 -0.10 0.00 0.10 0.00 0.00 66.02 65.44 1udl s SER 54 CO 0.17 -0.22 2.02 1.17 0.98 0.00 0.00 173.24 177.36 1udl n LYS 55 N -1.01 2.15 -0.36 4.02 4.81 -1.26 -1.06 118.16 125.46 1udl n LYS 55 Ca -0.04 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1udl n LYS 55 Cb 0.61 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 5.01 0.78 3.82 3.14 0.00 -0.03 -4.93 105.19 112.97 1udl n GLY 56 Ca 0.26 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.72 2.89 -0.57 1.61 2.00 -0.23 -4.79 119.66 119.85 1udl s GLN 57 Ca 0.00 0.93 -0.27 0.00 -2.00 0.00 0.00 55.36 54.03 1udl s GLN 57 Cb 0.00 -1.99 0.03 0.00 0.80 0.00 0.00 33.01 31.86 1udl s GLN 57 CO 0.00 -1.13 1.10 -1.17 -0.50 0.00 0.00 175.29 173.59 1udl s LEU 58 N -5.56 3.70 -0.07 3.68 2.96 -1.26 -3.75 118.68 118.38 1udl s LEU 58 Ca 0.58 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1udl s LEU 58 Cb -0.14 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.52 1udl s LEU 58 CO 0.55 -1.39 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.34 1udl s ILE 59 N 4.58 1.86 -0.33 6.68 1.01 -1.23 -4.04 121.20 129.72 1udl s ILE 59 Ca 0.38 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1udl s ILE 59 Cb -0.09 -1.60 0.10 0.00 0.01 0.00 0.00 42.46 40.88 1udl s ILE 59 CO 0.23 0.52 0.05 0.20 0.00 0.00 0.00 174.94 175.94 1udl s ASN 60 N 0.18 4.68 0.12 3.58 -0.87 -1.15 -1.74 114.94 119.74 1udl s ASN 60 Ca -0.12 -2.08 -0.32 0.00 -1.57 0.00 0.00 52.86 48.77 1udl s ASN 60 Cb -0.16 -1.54 -0.11 0.00 -0.02 0.00 0.00 41.25 39.43 1udl s ASN 60 CO 0.06 -0.38 1.81 0.52 -2.57 0.00 0.00 177.10 176.54 1udl n VAL 61 N 4.32 0.32 -0.02 1.60 0.31 -0.52 -2.96 118.33 121.38 1udl n VAL 61 Ca 0.03 -0.06 -0.02 0.00 -0.01 0.00 0.00 64.34 64.28 1udl n VAL 61 Cb 0.42 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 5.40 1.62 -3.66 5.55 2.81 0.80 -0.15 117.12 129.50 1udl n MET 62 Ca 0.18 0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.79 1udl n MET 62 Cb 0.36 -1.09 -0.15 0.00 -0.71 0.00 0.00 33.22 31.63 1udl n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1udl s ASN 63 N -3.98 3.82 -0.45 7.83 2.47 -1.22 -4.40 114.94 119.02 1udl s ASN 63 Ca -0.04 -1.57 0.04 0.00 0.42 0.00 0.00 52.86 51.70 1udl s ASN 63 Cb 0.01 -0.68 0.44 0.00 -1.45 0.00 0.00 41.25 39.57 1udl s ASN 63 CO 0.12 -0.42 1.45 2.29 -3.72 0.00 0.00 177.10 176.82 1udl n LYS 64 N 4.91 3.30 -0.23 0.43 2.85 -1.26 -2.52 118.16 125.65 1udl n LYS 64 Ca -0.03 -3.96 0.02 0.00 -1.05 0.00 0.00 58.31 53.29 1udl n LYS 64 Cb 0.42 -2.28 0.14 0.00 -0.65 0.00 0.00 35.03 32.66 1udl n LYS 64 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1udl h ASP 65 N 2.27 0.22 -3.49 -5.58 2.03 -1.92 -3.39 116.42 106.56 1udl h ASP 65 Ca 0.43 0.09 -0.61 0.00 -0.73 0.00 0.00 57.03 56.22 1udl h ASP 65 Cb 1.14 0.08 -0.13 0.00 -0.83 0.00 0.00 39.33 39.59 1udl h ASP 65 CO 1.03 0.11 -0.40 -1.81 -1.03 0.00 0.00 179.24 177.14 1udl s ASP 66 N -5.37 6.24 0.00 4.15 1.01 -1.26 -4.95 116.67 116.49 1udl s ASP 66 Ca -0.13 0.27 0.11 0.00 0.71 0.00 0.00 52.55 53.51 1udl s ASP 66 Cb 0.19 -2.14 0.67 0.00 1.01 0.00 0.00 42.92 42.64 1udl s ASP 66 CO 0.75 0.04 1.10 -0.81 0.21 0.00 0.00 175.17 176.47 1udl n PRO 67 N 4.19 0.49 -0.13 8.23 -0.04 -1.26 -2.65 135.00 143.82 1udl n PRO 67 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 1udl n PRO 67 Cb 0.52 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.86 1.98 -4.02 3.54 8.00 -1.26 -4.67 116.55 119.25 1udl n ASP 68 Ca 0.08 -0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 1udl n ASP 68 Cb 0.04 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.54 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1udl s TRP 69 N -2.52 1.08 0.32 1.24 0.52 -1.09 -1.87 118.94 116.62 1udl s TRP 69 Ca -0.35 -0.28 0.09 0.00 0.02 0.00 0.00 56.10 55.58 1udl s TRP 69 Cb 0.09 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.60 1udl s TRP 69 CO 0.59 -0.11 -0.02 -1.58 0.02 0.00 0.00 176.95 175.85 1udl s TRP 70 N 0.16 2.52 -0.12 -1.98 0.51 0.13 -4.21 118.94 115.95 1udl s TRP 70 Ca -0.03 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.57 1udl s TRP 70 Cb -0.09 -1.38 0.01 0.00 -0.81 0.00 0.00 33.47 31.20 1udl s TRP 70 CO 0.01 0.53 -0.17 -1.14 -0.51 0.00 0.00 176.95 175.67 1udl s GLN 71 N -3.68 2.44 0.28 4.98 0.74 -1.05 -2.46 119.66 120.92 1udl s GLN 71 Ca 0.34 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1udl s GLN 71 Cb -0.01 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1udl s GLN 71 CO 0.19 -0.07 0.15 0.20 -0.55 0.00 0.00 175.29 175.21 1udl s GLY 72 N 0.99 1.91 0.17 2.59 0.00 -1.26 -0.14 107.32 111.59 1udl s GLY 72 Ca -0.05 -1.79 0.11 0.00 0.00 0.00 0.00 44.72 42.98 1udl s GLY 72 CO -0.03 -1.54 -0.22 -1.83 0.00 0.00 0.00 173.10 169.49 1udl s GLU 73 N -3.89 1.60 -0.26 2.90 -1.05 -1.16 -3.51 118.70 113.34 1udl s GLU 73 Ca 0.37 -1.43 -0.02 0.00 -0.15 0.00 0.00 54.97 53.75 1udl s GLU 73 Cb 0.06 -1.93 0.13 0.00 -0.44 0.00 0.00 34.13 31.95 1udl s GLU 73 CO 0.17 0.42 0.30 0.42 0.95 0.00 0.00 175.26 177.52 1udl s ILE 74 N -1.52 -0.44 -1.16 1.83 1.01 0.12 -2.94 121.20 118.10 1udl s ILE 74 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 1udl s ILE 74 Cb -0.09 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1udl s ILE 74 CO 0.10 -0.31 0.97 0.59 0.00 0.00 0.00 174.94 176.30 1udl n ASN 75 N 5.33 -2.20 0.00 3.58 3.02 -1.26 -1.77 115.26 121.96 1udl n ASN 75 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1udl n ASN 75 Cb 0.48 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 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 -1.13 0.30 3.71 7.41 0.00 -1.26 -4.99 105.19 109.22 1udl n GLY 76 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.64 4.13 0.04 1.61 0.11 -0.73 -5.13 120.40 118.80 1udl s VAL 77 Ca 0.00 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1udl s VAL 77 Cb 0.00 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1udl s VAL 77 CO 0.00 0.13 -0.12 0.42 -3.33 0.00 0.00 175.10 172.20 1udl s THR 78 N -1.32 0.94 0.00 5.04 -4.23 -1.26 0.14 115.64 114.95 1udl s THR 78 Ca 0.26 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1udl s THR 78 Cb -0.12 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1udl s THR 78 CO 0.19 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1udl n GLY 79 N 1.76 3.37 3.05 3.99 0.00 -1.23 -4.86 105.19 111.26 1udl n GLY 79 Ca -0.19 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 1.72 -0.06 0.99 1.43 -1.23 -4.42 118.68 117.11 1udl s LEU 80 Ca 0.00 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1udl s LEU 80 Cb 0.00 0.48 0.10 0.00 0.03 0.00 0.00 46.19 46.80 1udl s LEU 80 CO 0.00 -0.29 0.85 0.72 0.23 0.00 0.00 176.35 177.86 1udl s PHE 81 N -1.13 -0.45 0.48 0.29 -0.12 -1.03 -1.54 117.98 114.48 1udl s PHE 81 Ca -0.12 0.60 -0.22 0.00 -0.05 0.00 0.00 56.93 57.14 1udl s PHE 81 Cb -0.07 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.73 1udl s PHE 81 CO 0.01 -0.52 1.16 -1.25 -0.05 0.00 0.00 175.22 174.57 1udl s PRO 82 N -1.98 3.65 0.00 1.99 0.04 -1.26 0.20 135.00 137.63 1udl s PRO 82 Ca -0.02 1.73 0.15 0.00 0.04 0.00 0.00 61.00 62.90 1udl s PRO 82 Cb -0.01 -2.30 0.88 0.00 0.04 0.00 0.00 34.50 33.12 1udl s PRO 82 CO -0.01 -0.63 1.36 0.45 0.04 0.00 0.00 177.00 178.21 1udl n SER 83 N -0.71 0.00 -0.20 6.66 2.88 -0.78 -2.12 113.62 119.35 1udl n SER 83 Ca 0.08 -0.92 0.10 0.00 -1.33 0.00 0.00 58.87 56.80 1udl n SER 83 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1udl n ASN 84 N -0.83 1.35 -1.20 -3.46 3.02 -1.26 -4.16 115.26 108.72 1udl n ASN 84 Ca 0.11 -1.18 0.11 0.00 -0.03 0.00 0.00 54.58 53.60 1udl n ASN 84 Cb 0.05 0.78 0.25 0.00 -0.61 0.00 0.00 39.78 40.25 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1udl n TYR 85 N -0.86 0.69 -4.08 3.10 4.02 -0.90 -4.93 117.16 114.20 1udl n TYR 85 Ca 0.06 -0.37 -0.13 0.00 -0.01 0.00 0.00 57.90 57.46 1udl n TYR 85 Cb 0.36 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.24 0.57 -0.04 -0.72 -7.23 -1.26 -0.79 120.40 109.70 1udl s VAL 86 Ca 0.42 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1udl s VAL 86 Cb 0.23 -0.81 0.02 0.00 0.56 0.00 0.00 36.38 36.38 1udl s VAL 86 CO 0.31 -0.47 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.84 1udl s LYS 87 N -2.00 0.70 0.13 4.82 2.47 0.42 -4.88 119.74 121.40 1udl s LYS 87 Ca -0.06 -0.08 -0.34 0.00 -1.56 0.00 0.00 55.97 53.93 1udl s LYS 87 Cb -0.07 -0.73 -0.17 0.00 -1.46 0.00 0.00 37.83 35.39 1udl s LYS 87 CO -0.01 -0.07 1.05 -1.33 0.16 0.00 0.00 175.35 175.15 1udl n MET 88 N 3.98 0.70 0.05 4.03 2.81 -1.26 -0.75 117.12 126.67 1udl n MET 88 Ca -0.25 0.25 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 1udl n MET 88 Cb 0.51 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 31.20 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 2.51 0.97 -6.08 2.03 1.35 -1.57 -3.45 112.91 108.68 1udl h THR 89 Ca -0.43 -2.62 -0.46 0.00 -0.55 0.00 0.00 66.41 62.35 1udl h THR 89 Cb 1.38 2.70 -0.05 0.00 -1.73 0.00 0.00 68.15 70.45 1udl h THR 89 CO 0.67 0.82 -0.72 0.35 -0.25 0.00 0.00 175.52 176.39 1udl n THR 90 N -3.48 -1.73 -0.12 6.82 -2.24 -1.26 -4.86 114.28 107.41 1udl n THR 90 Ca -0.22 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 1udl n THR 90 Cb 1.06 -2.59 0.02 0.00 -2.10 0.00 0.00 70.33 66.72 1udl n THR 90 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1udl h ASP 91 N -1.80 0.19 -2.93 3.42 3.58 -1.93 -3.42 116.42 113.53 1udl h ASP 91 Ca -0.55 0.04 -0.52 0.00 0.42 0.00 0.00 57.03 56.41 1udl h ASP 91 Cb 1.36 0.01 0.07 0.00 1.72 0.00 0.00 39.33 42.49 1udl h ASP 91 CO 0.65 0.15 0.96 -0.94 -2.88 0.00 0.00 179.24 177.18 1udl s SER 92 N -5.39 6.38 0.02 2.28 1.04 -1.26 -4.94 113.70 111.83 1udl s SER 92 Ca -0.13 2.89 -0.23 0.00 0.48 0.00 0.00 55.95 58.96 1udl s SER 92 Cb 0.12 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.51 1udl s SER 92 CO 0.72 -0.94 1.14 0.28 0.98 0.00 0.00 173.24 175.41 1udl h SER 93 N 6.04 -0.69 -1.73 7.02 0.02 -1.95 -3.48 113.55 118.79 1udl h SER 93 Ca -0.45 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1udl h SER 93 Cb 1.21 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1udl h SER 93 CO 0.89 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 1udl n GLY 94 N -0.84 6.50 3.72 -3.77 0.00 -1.26 -5.07 105.19 104.46 1udl n GLY 94 Ca -0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.11 4.34 -1.32 1.61 0.04 -1.26 -3.43 135.00 134.87 1udl s PRO 95 Ca 0.00 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1udl s PRO 95 Cb 0.00 -3.25 0.14 0.00 0.04 0.00 0.00 34.50 31.43 1udl s PRO 95 CO 0.00 -0.39 0.36 0.43 0.04 0.00 0.00 177.00 177.44 1udl n SER 96 N 3.79 -0.99 -4.76 6.66 7.64 -1.26 -4.78 113.62 119.93 1udl n SER 96 Ca 0.11 -0.91 -0.41 0.00 1.01 0.00 0.00 58.87 58.67 1udl n SER 96 Cb 0.43 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1udl n SER 96 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1udl s SER 97 N -2.85 6.59 0.00 6.43 1.04 -1.22 -5.17 113.70 118.51 1udl s SER 97 Ca 0.51 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.70 1udl s SER 97 Cb -0.29 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.19 1udl s SER 97 CO 0.74 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.85