#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 1.90 -0.13 1.61 0.01 -1.26 -5.13 113.70 110.71 1udl s SER 2 Ca 0.00 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1udl s SER 2 Cb 0.00 -0.87 0.05 0.00 0.21 0.00 0.00 66.02 65.41 1udl s SER 2 CO 0.00 0.03 0.29 -0.44 0.41 0.00 0.00 173.24 173.53 1udl s SER 3 N 0.72 -0.28 -1.17 2.44 0.01 -1.26 -5.07 113.70 109.10 1udl s SER 3 Ca -0.13 0.63 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 1udl s SER 3 Cb -0.16 0.55 0.23 0.00 0.21 0.00 0.00 66.02 66.85 1udl s SER 3 CO 0.03 -0.18 1.93 0.61 0.41 0.00 0.00 173.24 176.04 1udl n GLY 4 N 4.36 5.42 3.18 3.44 0.00 -1.26 -4.95 105.19 115.38 1udl n GLY 4 Ca -0.23 -2.36 -0.28 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.55 2.49 -0.47 1.61 0.01 -1.26 -5.05 113.70 110.47 1udl s SER 5 Ca 0.42 -0.42 -0.37 0.00 1.31 0.00 0.00 55.95 56.89 1udl s SER 5 Cb 0.14 -0.77 -0.17 0.00 0.21 0.00 0.00 66.02 65.44 1udl s SER 5 CO -0.04 0.17 1.91 -0.24 0.41 0.00 0.00 173.24 175.45 1udl n SER 6 N 3.17 0.62 -2.52 2.44 2.88 -1.26 -4.72 113.62 114.23 1udl n SER 6 Ca -0.18 0.56 -0.04 0.00 -1.33 0.00 0.00 58.87 57.87 1udl n SER 6 Cb 0.53 -0.79 0.07 0.00 -0.75 0.00 0.00 64.21 63.27 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 6.48 0.63 3.78 0.46 0.00 -1.26 -5.14 105.19 110.13 1udl n GLY 7 Ca 0.49 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 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 0.11 4.16 -0.09 1.61 2.00 -1.26 -4.96 119.66 121.22 1udl s GLN 8 Ca 0.11 1.63 0.16 0.00 -2.00 0.00 0.00 55.36 55.26 1udl s GLN 8 Cb 0.27 -2.63 0.35 0.00 0.80 0.00 0.00 33.01 31.80 1udl s GLN 8 CO -0.07 -0.17 1.16 0.36 -0.50 0.00 0.00 175.29 176.08 1udl n LYS 9 N 0.07 0.75 0.00 1.67 -0.00 -1.26 -4.92 118.16 114.47 1udl n LYS 9 Ca 0.04 -2.43 0.00 0.00 -0.00 0.00 0.00 58.31 55.92 1udl n LYS 9 Cb 0.48 -0.85 0.00 0.00 -0.00 0.00 0.00 35.03 34.66 1udl n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1udl n GLY 10 N -0.41 -0.16 3.69 2.58 0.00 -1.26 -4.88 105.19 104.75 1udl n GLY 10 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1udl n GLY 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1udl s TRP 11 N -0.58 1.81 -0.45 1.61 1.48 -1.26 -4.99 118.94 116.55 1udl s TRP 11 Ca 0.00 1.73 -0.05 0.00 -1.06 0.00 0.00 56.10 56.71 1udl s TRP 11 Cb 0.00 -3.28 0.12 0.00 -1.16 0.00 0.00 33.47 29.15 1udl s TRP 11 CO 0.00 -2.64 0.28 -0.06 -4.06 0.00 0.00 176.95 170.47 1udl s PHE 12 N -2.70 3.52 0.41 1.66 0.08 -1.26 -5.08 117.98 114.61 1udl s PHE 12 Ca 0.66 -2.22 -0.25 0.00 0.12 0.00 0.00 56.93 55.24 1udl s PHE 12 Cb -0.22 -3.34 -0.08 0.00 -0.57 0.00 0.00 43.02 38.81 1udl s PHE 12 CO 0.58 -0.97 1.18 -1.25 -0.10 0.00 0.00 175.22 174.66 1udl s PRO 13 N 1.13 3.97 -1.00 0.24 0.04 -1.26 -3.26 135.00 134.86 1udl s PRO 13 Ca 0.08 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 1udl s PRO 13 Cb -0.24 -2.62 0.13 0.00 0.04 0.00 0.00 34.50 31.81 1udl s PRO 13 CO -0.03 -0.39 0.32 0.00 0.04 0.00 0.00 177.00 176.94 1udl n ALA 14 N -0.05 -1.01 -2.59 8.56 0.00 -1.26 -4.87 120.51 119.28 1udl n ALA 14 Ca 0.05 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1udl n ALA 14 Cb 0.46 -1.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 1udl n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1udl s SER 15 N -2.53 4.66 0.03 0.00 0.15 -1.20 -5.08 113.70 109.73 1udl s SER 15 Ca 0.45 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 57.13 1udl s SER 15 Cb -0.26 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1udl s SER 15 CO 0.55 0.36 -0.15 -2.28 1.20 0.00 0.00 173.24 172.91 1udl s HIS 16 N -0.82 2.64 -0.18 3.44 2.46 -1.26 -5.03 115.29 116.54 1udl s HIS 16 Ca 0.13 -0.20 -0.07 0.00 0.47 0.00 0.00 55.06 55.38 1udl s HIS 16 Cb -0.11 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.79 1udl s HIS 16 CO 0.02 0.27 0.06 0.14 -2.47 0.00 0.00 174.74 172.76 1udl s VAL 17 N -0.93 4.80 -1.10 0.89 -7.23 -1.26 -4.97 120.40 110.60 1udl s VAL 17 Ca 0.15 -0.03 0.24 0.00 -1.81 0.00 0.00 61.98 60.53 1udl s VAL 17 Cb -0.11 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 1udl s VAL 17 CO 0.06 0.47 1.34 0.29 -0.31 0.00 0.00 175.10 176.94 1udl n LYS 18 N 3.49 0.11 -5.14 4.82 4.01 -1.26 -4.85 118.16 119.34 1udl n LYS 18 Ca -0.17 -0.07 -0.32 0.00 -0.51 0.00 0.00 58.31 57.24 1udl n LYS 18 Cb 0.52 -1.50 -0.16 0.00 -0.51 0.00 0.00 35.03 33.38 1udl n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1udl s LEU 19 N -2.94 2.24 -0.02 -0.35 2.01 -1.26 -5.13 118.68 113.23 1udl s LEU 19 Ca 0.12 -0.47 -0.01 0.00 0.01 0.00 0.00 54.13 53.79 1udl s LEU 19 Cb 0.17 -1.44 -0.04 0.00 0.01 0.00 0.00 46.19 44.90 1udl s LEU 19 CO 0.71 0.22 0.06 -1.48 1.01 0.00 0.00 176.35 176.87 1udl s LEU 20 N -0.02 3.82 0.00 1.79 0.05 -1.26 -5.10 118.68 117.96 1udl s LEU 20 Ca -0.07 0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1udl s LEU 20 Cb -0.15 -2.16 0.00 0.00 -2.05 0.00 0.00 46.19 41.83 1udl s LEU 20 CO 0.05 0.29 0.00 0.61 -0.55 0.00 0.00 176.35 176.75 1udl n GLY 21 N 1.38 1.29 3.66 -3.48 0.00 -1.26 -5.13 105.19 101.64 1udl n GLY 21 Ca -0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1udl n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 22 N -1.44 4.20 0.35 1.61 0.04 -1.26 -4.96 135.00 133.54 1udl s PRO 22 Ca 0.00 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1udl s PRO 22 Cb 0.00 -3.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.57 1udl s PRO 22 CO 0.00 -0.80 0.02 -1.12 0.04 0.00 0.00 177.00 175.14 1udl s SER 23 N 2.89 4.14 -0.26 6.66 0.01 -1.26 -5.12 113.70 120.77 1udl s SER 23 Ca 0.67 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 1udl s SER 23 Cb -0.29 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1udl s SER 23 CO 0.25 -0.28 0.37 -0.44 0.41 0.00 0.00 173.24 173.54 1udl s SER 24 N -3.72 6.28 -0.23 2.44 0.01 -1.26 -5.06 113.70 112.16 1udl s SER 24 Ca 0.35 0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.94 1udl s SER 24 Cb 0.01 -2.21 0.04 0.00 0.21 0.00 0.00 66.02 64.07 1udl s SER 24 CO 0.19 -0.15 -0.13 -0.70 0.41 0.00 0.00 173.24 172.87 1udl s GLU 25 N 1.88 2.68 -0.41 12.44 -6.30 -1.26 -5.08 118.70 122.65 1udl s GLU 25 Ca 0.15 -1.06 -0.09 0.00 -2.50 0.00 0.00 54.97 51.47 1udl s GLU 25 Cb -0.15 -2.81 0.07 0.00 0.00 0.00 0.00 34.13 31.23 1udl s GLU 25 CO 0.09 -0.40 0.25 0.50 0.02 0.00 0.00 175.26 175.72 1udl s ARG 26 N 1.23 2.64 0.62 4.30 3.52 -1.26 -5.07 118.95 124.94 1udl s ARG 26 Ca -0.01 -1.39 -0.16 0.00 -0.13 0.00 0.00 55.73 54.04 1udl s ARG 26 Cb -0.17 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 1udl s ARG 26 CO -0.08 -0.90 1.10 0.00 -0.81 0.00 0.00 175.30 174.61 1udl s ALA 27 N 1.45 2.57 -0.14 6.12 0.00 -1.26 -5.03 121.76 125.45 1udl s ALA 27 Ca 0.03 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1udl s ALA 27 Cb -0.22 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1udl s ALA 27 CO 0.03 -1.09 0.15 0.99 0.00 0.00 0.00 175.76 175.84 1udl s THR 28 N -2.27 5.46 0.00 0.00 2.01 -1.26 -5.02 115.64 114.57 1udl s THR 28 Ca 0.67 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.66 1udl s THR 28 Cb -0.20 -3.43 -0.18 0.00 0.01 0.00 0.00 72.50 68.70 1udl s THR 28 CO 0.38 0.56 1.30 1.55 -0.69 0.00 0.00 174.62 177.72 1udl h PRO 29 N 5.54 0.15 -3.60 4.92 0.13 -2.00 -3.38 132.00 133.75 1udl h PRO 29 Ca -0.50 -0.08 -0.72 0.00 -0.87 0.00 0.00 66.00 63.83 1udl h PRO 29 Cb 1.20 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 1udl h PRO 29 CO 0.64 0.59 -0.20 0.00 -0.23 0.00 0.00 178.00 178.81 1udl s ALA 30 N -4.28 3.81 0.08 -0.56 0.00 -1.26 -5.06 121.76 114.49 1udl s ALA 30 Ca -0.15 -3.36 0.07 0.00 0.00 0.00 0.00 51.96 48.51 1udl s ALA 30 Cb 0.03 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1udl s ALA 30 CO 0.71 -2.16 -0.14 -0.59 0.00 0.00 0.00 175.76 173.57 1udl s PHE 31 N -0.19 2.65 -0.45 0.00 -0.71 -1.26 -5.10 117.98 112.93 1udl s PHE 31 Ca 0.19 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 1udl s PHE 31 Cb -0.16 -1.44 0.12 0.00 -1.21 0.00 0.00 43.02 40.33 1udl s PHE 31 CO -0.06 0.36 0.21 -3.38 -1.34 0.00 0.00 175.22 171.01 1udl s HIS 32 N -1.09 3.54 1.01 3.49 -3.43 -1.26 -5.10 115.29 112.45 1udl s HIS 32 Ca 0.18 -2.80 -0.12 0.00 -0.80 0.00 0.00 55.06 51.52 1udl s HIS 32 Cb -0.11 -3.05 0.19 0.00 -1.43 0.00 0.00 32.58 28.18 1udl s HIS 32 CO 0.10 -0.90 1.09 -1.25 -2.00 0.00 0.00 174.74 171.78 1udl s PRO 33 N 0.58 0.35 -0.19 -0.38 0.04 -1.26 -5.01 135.00 129.13 1udl s PRO 33 Ca 0.12 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.71 1udl s PRO 33 Cb -0.22 -1.73 -0.22 0.00 0.04 0.00 0.00 34.50 32.38 1udl s PRO 33 CO -0.04 -2.78 0.07 1.55 0.04 0.00 0.00 177.00 175.84 1udl n VAL 34 N -4.21 1.55 -3.49 -0.36 3.14 -0.24 -5.00 118.33 109.72 1udl n VAL 34 Ca 0.05 -0.68 -0.14 0.00 -2.96 0.00 0.00 64.34 60.62 1udl n VAL 34 Cb 0.57 -1.25 -0.04 0.00 -1.06 0.00 0.00 33.84 32.06 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 -2.80 3.36 0.47 0.00 0.74 -1.26 0.88 119.66 121.05 1udl s GLN 36 Ca -0.03 -0.66 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1udl s GLN 36 Cb -0.01 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 1udl s GLN 36 CO -0.04 -0.00 0.01 0.14 -0.55 0.00 0.00 175.29 174.85 1udl s VAL 37 N 0.92 1.42 -0.00 1.34 -7.23 -0.57 -2.61 120.40 113.66 1udl s VAL 37 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1udl s VAL 37 Cb -0.15 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1udl s VAL 37 CO -0.00 0.00 -0.12 -0.51 -0.31 0.00 0.00 175.10 174.15 1udl s ILE 38 N -2.84 0.98 0.08 -0.62 2.07 -0.92 -3.44 121.20 116.50 1udl s ILE 38 Ca 0.17 -0.59 -0.31 0.00 -1.41 0.00 0.00 60.65 58.51 1udl s ILE 38 Cb 0.05 -0.83 -0.08 0.00 0.13 0.00 0.00 42.46 41.73 1udl s ILE 38 CO 0.09 0.23 1.47 0.00 -1.91 0.00 0.00 174.94 174.82 1udl s ALA 39 N -0.37 3.63 -0.01 1.50 0.00 -1.24 -0.36 121.76 124.91 1udl s ALA 39 Ca 0.04 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 1udl s ALA 39 Cb -0.05 -3.60 -0.30 0.00 0.00 0.00 0.00 23.12 19.17 1udl s ALA 39 CO -0.00 -0.82 0.81 0.52 0.00 0.00 0.00 175.76 176.27 1udl h MET 40 N 7.42 0.35 -5.18 0.00 0.00 -1.74 0.34 114.93 116.12 1udl h MET 40 Ca -0.41 -0.60 -0.37 0.00 0.00 0.00 0.00 59.70 58.32 1udl h MET 40 Cb 1.20 0.22 -0.18 0.00 0.00 0.00 0.00 31.60 32.84 1udl h MET 40 CO 0.89 1.25 -0.75 0.71 0.00 0.00 0.00 176.91 179.01 1udl s TYR 41 N -2.60 1.22 -0.51 -0.22 2.02 -1.26 -4.77 117.35 111.22 1udl s TYR 41 Ca -0.12 -0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 55.73 1udl s TYR 41 Cb 0.06 -0.65 -0.06 0.00 -0.40 0.00 0.00 41.96 40.91 1udl s TYR 41 CO 0.87 0.07 2.32 0.16 -1.57 0.00 0.00 175.55 177.39 1udl s ASP 42 N -2.38 4.56 0.17 2.29 -4.77 -1.26 -3.94 116.67 111.34 1udl s ASP 42 Ca 0.06 0.94 -0.20 0.00 -3.30 0.00 0.00 52.55 50.05 1udl s ASP 42 Cb -0.04 -2.51 -0.08 0.00 -1.09 0.00 0.00 42.92 39.20 1udl s ASP 42 CO 0.02 -2.81 0.69 -0.47 0.70 0.00 0.00 175.17 173.30 1udl s TYR 43 N 11.73 3.74 -0.16 2.11 6.14 -0.44 -4.87 117.35 135.60 1udl s TYR 43 Ca 0.92 1.40 -0.00 0.00 0.64 0.00 0.00 57.07 60.03 1udl s TYR 43 Cb -0.16 -2.61 0.04 0.00 0.42 0.00 0.00 41.96 39.64 1udl s TYR 43 CO 0.25 0.43 -0.07 0.00 0.64 0.00 0.00 175.55 176.80 1udl s ALA 44 N -1.35 1.56 -0.31 3.97 0.00 -1.26 -1.59 121.76 122.78 1udl s ALA 44 Ca 0.38 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1udl s ALA 44 Cb -0.19 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1udl s ALA 44 CO 0.22 -0.68 1.54 0.00 0.00 0.00 0.00 175.76 176.84 1udl s ALA 45 N 1.60 3.15 0.31 0.00 0.00 -1.26 -4.85 121.76 120.72 1udl s ALA 45 Ca 0.02 0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.42 1udl s ALA 45 Cb -0.15 -3.90 1.40 0.00 0.00 0.00 0.00 23.12 20.48 1udl s ALA 45 CO -0.08 -2.18 1.76 -2.95 0.00 0.00 0.00 175.76 172.31 1udl h ASN 46 N 10.89 0.00 -2.33 0.00 7.08 -1.93 -3.44 115.58 125.84 1udl h ASN 46 Ca -0.31 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.91 1udl h ASN 46 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 1udl h ASN 46 CO 1.04 0.00 0.23 -0.46 -2.08 0.00 0.00 177.43 176.15 1udl n ASN 47 N -2.55 -1.57 0.30 6.14 0.23 -1.26 -5.02 115.26 111.53 1udl n ASN 47 Ca -0.02 -2.05 0.19 0.00 -0.53 0.00 0.00 54.58 52.17 1udl n ASN 47 Cb 0.25 2.60 0.83 0.00 -2.08 0.00 0.00 39.78 41.38 1udl n ASN 47 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1udl h GLU 48 N 0.00 0.00 -0.54 -3.83 3.07 -1.94 -2.73 114.58 108.61 1udl h GLU 48 Ca -0.23 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.51 1udl h GLU 48 Cb 0.87 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 1udl h GLU 48 CO 0.29 0.00 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.33 1udl h ASP 49 N 0.00 1.05 -3.23 1.42 5.19 -1.95 -3.45 116.42 115.45 1udl h ASP 49 Ca 0.00 -0.36 -0.46 0.00 -0.62 0.00 0.00 57.03 55.59 1udl h ASP 49 Cb 0.37 -0.29 0.05 0.00 0.18 0.00 0.00 39.33 39.65 1udl h ASP 49 CO 0.00 1.16 0.07 -1.61 -3.12 0.00 0.00 179.24 175.74 1udl s GLU 50 N -4.81 2.84 -0.24 3.56 2.02 -1.03 -3.36 118.70 117.68 1udl s GLU 50 Ca -0.12 -0.28 -0.09 0.00 0.02 0.00 0.00 54.97 54.50 1udl s GLU 50 Cb 0.13 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1udl s GLU 50 CO 0.87 -0.62 0.13 -1.17 0.02 0.00 0.00 175.26 174.49 1udl s LEU 51 N -4.85 3.92 -0.25 1.80 0.20 -0.77 -4.52 118.68 114.21 1udl s LEU 51 Ca 0.53 0.02 -0.10 0.00 0.69 0.00 0.00 54.13 55.27 1udl s LEU 51 Cb -0.10 -2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 43.56 1udl s LEU 51 CO 0.42 0.04 0.15 -0.55 -0.29 0.00 0.00 176.35 176.12 1udl s SER 52 N 1.19 5.94 0.26 3.68 0.15 -1.26 -3.98 113.70 119.68 1udl s SER 52 Ca 0.06 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 1udl s SER 52 Cb -0.14 -2.08 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1udl s SER 52 CO 0.05 0.02 0.30 0.72 1.20 0.00 0.00 173.24 175.53 1udl s PHE 53 N 1.32 1.05 0.05 3.44 -0.12 -0.62 -4.89 117.98 118.20 1udl s PHE 53 Ca 0.07 -1.25 0.09 0.00 -0.05 0.00 0.00 56.93 55.78 1udl s PHE 53 Cb -0.14 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 1udl s PHE 53 CO 0.06 -0.85 -0.24 -1.54 -0.05 0.00 0.00 175.22 172.60 1udl s SER 54 N -3.17 3.37 -0.40 1.98 1.04 -1.26 -1.33 113.70 113.93 1udl s SER 54 Ca 0.34 -0.55 -0.36 0.00 0.48 0.00 0.00 55.95 55.86 1udl s SER 54 Cb 0.03 -0.39 -0.16 0.00 0.10 0.00 0.00 66.02 65.61 1udl s SER 54 CO 0.15 0.26 1.43 1.17 0.98 0.00 0.00 173.24 177.23 1udl n LYS 55 N 1.68 0.00 -0.48 4.02 4.81 -1.25 -0.05 118.16 126.89 1udl n LYS 55 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1udl n LYS 55 Cb 0.52 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.38 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 4.19 0.94 3.86 3.14 0.00 0.11 -4.94 105.19 112.48 1udl n GLY 56 Ca 0.32 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.12 3.51 -0.55 1.61 2.00 0.93 -4.82 119.66 121.22 1udl s GLN 57 Ca 0.00 0.79 -0.25 0.00 -2.00 0.00 0.00 55.36 53.90 1udl s GLN 57 Cb 0.00 -2.07 0.04 0.00 0.80 0.00 0.00 33.01 31.78 1udl s GLN 57 CO 0.00 -0.64 0.98 -1.17 -0.50 0.00 0.00 175.29 173.96 1udl s LEU 58 N -5.20 3.99 -0.05 3.68 2.96 -1.26 -3.71 118.68 119.10 1udl s LEU 58 Ca 0.56 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1udl s LEU 58 Cb -0.11 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 1udl s LEU 58 CO 0.53 -1.25 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.52 1udl s ILE 59 N 4.08 1.39 -0.29 6.68 1.01 -1.22 -4.05 121.20 128.79 1udl s ILE 59 Ca 0.33 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1udl s ILE 59 Cb -0.11 -1.20 0.08 0.00 0.01 0.00 0.00 42.46 41.24 1udl s ILE 59 CO 0.21 0.40 -0.01 0.20 0.00 0.00 0.00 174.94 175.74 1udl s ASN 60 N 0.11 4.41 0.00 3.58 -0.87 -1.22 -1.52 114.94 119.44 1udl s ASN 60 Ca -0.05 -1.69 -0.33 0.00 -1.57 0.00 0.00 52.86 49.22 1udl s ASN 60 Cb -0.12 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.25 39.57 1udl s ASN 60 CO 0.02 -0.30 1.87 0.52 -2.57 0.00 0.00 177.10 176.64 1udl n VAL 61 N 4.45 0.54 -0.08 1.60 0.31 0.25 -3.47 118.33 121.94 1udl n VAL 61 Ca -0.05 -0.10 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1udl n VAL 61 Cb 0.42 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 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 6.40 0.74 -3.52 5.55 0.00 0.84 -1.08 117.12 126.04 1udl n MET 62 Ca 0.21 0.07 -0.21 0.00 0.00 0.00 0.00 57.70 57.77 1udl n MET 62 Cb 0.34 -1.34 -0.14 0.00 0.00 0.00 0.00 33.22 32.08 1udl n MET 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1udl s ASN 63 N -5.40 1.84 -0.45 7.83 3.84 -1.24 -4.43 114.94 116.93 1udl s ASN 63 Ca -0.19 -0.46 0.04 0.00 0.21 0.00 0.00 52.86 52.46 1udl s ASN 63 Cb 0.05 0.16 0.44 0.00 -0.55 0.00 0.00 41.25 41.35 1udl s ASN 63 CO 0.42 -0.35 1.42 2.29 -2.79 0.00 0.00 177.10 178.09 1udl n LYS 64 N 5.30 3.31 -0.28 0.43 2.85 -1.26 -2.26 118.16 126.25 1udl n LYS 64 Ca -0.06 -4.01 -0.02 0.00 -1.05 0.00 0.00 58.31 53.18 1udl n LYS 64 Cb 0.49 -2.27 0.04 0.00 -0.65 0.00 0.00 35.03 32.63 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 2.30 -1.15 -3.18 -5.58 3.58 -1.96 -3.37 116.42 107.06 1udl h ASP 65 Ca 0.42 0.26 -0.61 0.00 0.42 0.00 0.00 57.03 57.52 1udl h ASP 65 Cb 1.13 0.62 -0.10 0.00 1.72 0.00 0.00 39.33 42.69 1udl h ASP 65 CO 1.01 -0.29 -0.43 -1.81 -2.88 0.00 0.00 179.24 174.84 1udl s ASP 66 N -5.24 6.32 0.00 2.28 1.11 -1.26 -4.96 116.67 114.91 1udl s ASP 66 Ca -0.14 0.37 0.16 0.00 0.18 0.00 0.00 52.55 53.11 1udl s ASP 66 Cb 0.19 -2.12 0.93 0.00 1.07 0.00 0.00 42.92 42.99 1udl s ASP 66 CO 0.71 0.19 1.35 -0.81 1.18 0.00 0.00 175.17 177.80 1udl n PRO 67 N 3.26 0.48 -0.05 8.23 -0.04 -1.26 -2.78 135.00 142.84 1udl n PRO 67 Ca -0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 1udl n PRO 67 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.01 2.02 -4.05 3.54 9.92 -1.26 -4.67 116.55 121.04 1udl n ASP 68 Ca 0.12 0.25 -0.19 0.00 -0.53 0.00 0.00 54.79 54.44 1udl n ASP 68 Cb 0.06 -0.86 -0.14 0.00 -0.64 0.00 0.00 41.12 39.54 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 -2.49 0.90 0.22 1.24 0.52 -1.12 -1.44 118.94 116.78 1udl s TRP 69 Ca -0.27 -0.21 0.10 0.00 0.02 0.00 0.00 56.10 55.75 1udl s TRP 69 Cb 0.07 -0.57 -0.05 0.00 -1.15 0.00 0.00 33.47 31.77 1udl s TRP 69 CO 0.68 -0.01 -0.18 -1.58 0.02 0.00 0.00 176.95 175.88 1udl s TRP 70 N -0.37 2.00 -0.18 -1.98 0.51 0.90 -4.23 118.94 115.60 1udl s TRP 70 Ca 0.03 -0.44 -0.04 0.00 -2.12 0.00 0.00 56.10 53.53 1udl s TRP 70 Cb -0.05 -0.93 -0.02 0.00 -0.81 0.00 0.00 33.47 31.67 1udl s TRP 70 CO -0.00 0.49 -0.04 -1.14 -0.51 0.00 0.00 176.95 175.75 1udl s GLN 71 N -3.29 3.56 0.15 4.98 0.74 -0.96 -2.43 119.66 122.40 1udl s GLN 71 Ca 0.23 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1udl s GLN 71 Cb -0.04 -2.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.13 1udl s GLN 71 CO 0.10 0.09 0.05 0.41 -0.55 0.00 0.00 175.29 175.39 1udl n GLY 72 N 3.97 3.80 3.05 2.59 0.00 -1.26 -0.11 105.19 117.23 1udl n GLY 72 Ca -0.18 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 1udl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1udl s GLU 73 N -2.56 0.51 -0.25 1.61 4.04 -1.23 -3.65 118.70 117.16 1udl s GLU 73 Ca 0.07 -1.00 -0.07 0.00 0.04 0.00 0.00 54.97 54.01 1udl s GLU 73 Cb 0.00 0.16 0.12 0.00 0.02 0.00 0.00 34.13 34.43 1udl s GLU 73 CO 0.05 -0.08 0.53 0.42 -1.84 0.00 0.00 175.26 174.34 1udl s ILE 74 N -3.02 -0.83 -1.38 1.83 1.01 0.70 -3.37 121.20 116.15 1udl s ILE 74 Ca -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1udl s ILE 74 Cb 0.01 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.66 1udl s ILE 74 CO -0.07 0.02 0.82 0.59 0.00 0.00 0.00 174.94 176.30 1udl n ASN 75 N 5.42 -2.56 -0.30 3.58 3.02 -1.26 -0.50 115.26 122.65 1udl n ASN 75 Ca -0.09 -0.79 -0.04 0.00 -0.03 0.00 0.00 54.58 53.63 1udl n ASN 75 Cb 0.49 -4.06 -0.02 0.00 -0.61 0.00 0.00 39.78 35.59 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 -1.62 0.63 3.67 7.41 0.00 -1.26 -5.00 105.19 109.01 1udl n GLY 76 Ca -0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.90 3.92 0.04 1.61 0.11 0.35 -4.53 120.40 119.99 1udl s VAL 77 Ca 0.00 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 1udl s VAL 77 Cb 0.00 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.97 1udl s VAL 77 CO 0.00 0.13 -0.09 0.42 -3.33 0.00 0.00 175.10 172.23 1udl s THR 78 N -1.29 0.63 0.00 5.04 -4.23 -1.26 -0.21 115.64 114.32 1udl s THR 78 Ca 0.25 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1udl s THR 78 Cb -0.12 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1udl s THR 78 CO 0.17 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1udl n GLY 79 N 1.70 3.23 3.03 3.99 0.00 -1.24 -4.87 105.19 111.02 1udl n GLY 79 Ca -0.21 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 1.29 0.04 0.99 1.43 -1.21 -4.45 118.68 116.77 1udl s LEU 80 Ca 0.00 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1udl s LEU 80 Cb 0.00 0.54 0.04 0.00 0.03 0.00 0.00 46.19 46.80 1udl s LEU 80 CO 0.00 -0.07 0.47 0.72 0.23 0.00 0.00 176.35 177.70 1udl s PHE 81 N 0.23 -0.35 0.43 0.29 -0.12 -1.02 -1.84 117.98 115.60 1udl s PHE 81 Ca -0.01 0.37 -0.24 0.00 -0.05 0.00 0.00 56.93 57.00 1udl s PHE 81 Cb -0.02 0.29 -0.08 0.00 -0.63 0.00 0.00 43.02 42.57 1udl s PHE 81 CO -0.01 -0.61 1.17 -1.25 -0.05 0.00 0.00 175.22 174.48 1udl s PRO 82 N -2.43 3.88 0.00 1.99 0.04 -1.26 -0.07 135.00 137.15 1udl s PRO 82 Ca -0.05 1.82 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1udl s PRO 82 Cb -0.01 -2.53 0.39 0.00 0.04 0.00 0.00 34.50 32.39 1udl s PRO 82 CO -0.02 -0.46 1.10 -1.13 0.04 0.00 0.00 177.00 176.53 1udl n SER 83 N -0.24 0.00 -0.22 6.66 3.41 -0.52 -2.45 113.62 120.25 1udl n SER 83 Ca 0.06 -1.47 0.08 0.00 -0.26 0.00 0.00 58.87 57.29 1udl n SER 83 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.62 1.31 -1.38 4.04 0.23 -1.26 -4.27 115.26 113.31 1udl n ASN 84 Ca 0.05 -1.16 0.08 0.00 -0.53 0.00 0.00 54.58 53.02 1udl n ASN 84 Cb 0.02 0.71 0.32 0.00 -2.08 0.00 0.00 39.78 38.75 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 -0.68 1.39 -3.83 -2.53 4.02 -1.03 -4.93 117.16 109.57 1udl n TYR 85 Ca 0.05 -0.71 -0.12 0.00 -0.01 0.00 0.00 57.90 57.11 1udl n TYR 85 Cb 0.32 -0.32 -0.13 0.00 -0.02 0.00 0.00 39.34 39.20 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 -2.29 -0.00 -0.20 -0.72 -7.23 -1.26 -1.95 120.40 106.75 1udl s VAL 86 Ca 0.47 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.62 1udl s VAL 86 Cb 0.34 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 37.12 1udl s VAL 86 CO 0.17 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.10 1udl s LYS 87 N 0.07 3.23 -0.37 4.82 2.47 0.51 -4.87 119.74 125.60 1udl s LYS 87 Ca -0.00 -0.71 -0.42 0.00 -1.56 0.00 0.00 55.97 53.28 1udl s LYS 87 Cb -0.01 -2.82 -0.17 0.00 -1.46 0.00 0.00 37.83 33.37 1udl s LYS 87 CO 0.00 -0.18 1.78 -1.33 0.16 0.00 0.00 175.35 175.78 1udl n MET 88 N 4.66 0.72 0.04 4.03 2.81 -1.26 -2.17 117.12 125.94 1udl n MET 88 Ca -0.19 0.25 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 1udl n MET 88 Cb 0.51 -1.91 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 5.50 0.72 -4.59 2.03 1.35 -1.81 -3.46 112.91 112.64 1udl h THR 89 Ca -0.41 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.11 1udl h THR 89 Cb 1.34 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1udl h THR 89 CO 0.98 0.00 -0.49 0.35 -0.25 0.00 0.00 175.52 176.12 1udl n THR 90 N -5.24 -1.08 -2.81 6.82 -2.24 -1.26 -4.93 114.28 103.54 1udl n THR 90 Ca -0.05 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 1udl n THR 90 Cb 0.16 -2.21 -0.06 0.00 -2.10 0.00 0.00 70.33 66.12 1udl n THR 90 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1udl s ASP 91 N -2.46 7.34 -0.32 3.42 -4.77 -1.26 -4.96 116.67 113.66 1udl s ASP 91 Ca 0.23 1.80 -0.28 0.00 -3.30 0.00 0.00 52.55 51.00 1udl s ASP 91 Cb -0.11 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 1udl s ASP 91 CO 0.28 -0.03 2.05 -0.44 0.70 0.00 0.00 175.17 177.73 1udl s SER 92 N -1.57 5.49 -0.35 2.11 0.01 -1.26 -4.84 113.70 113.28 1udl s SER 92 Ca 0.48 1.46 0.08 0.00 1.31 0.00 0.00 55.95 59.28 1udl s SER 92 Cb -0.19 -2.52 0.45 0.00 0.21 0.00 0.00 66.02 63.97 1udl s SER 92 CO 0.24 -2.00 1.13 -1.20 0.41 0.00 0.00 173.24 171.82 1udl n SER 93 N 11.73 4.30 0.00 2.44 7.64 -1.26 -4.94 113.62 133.53 1udl n SER 93 Ca 0.27 -3.51 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1udl n SER 93 Cb 0.47 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1udl n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1udl n GLY 94 N -0.56 -0.40 3.77 0.23 0.00 -1.26 -5.14 105.19 101.83 1udl n GLY 94 Ca 0.36 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 46.42 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 0.44 3.74 -0.51 1.61 0.04 -1.26 -4.98 135.00 134.08 1udl s PRO 95 Ca 0.00 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1udl s PRO 95 Cb 0.00 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1udl s PRO 95 CO 0.00 -0.56 1.03 -1.12 0.04 0.00 0.00 177.00 176.39 1udl s SER 96 N -1.38 6.49 0.31 6.66 0.01 -1.26 -5.00 113.70 119.53 1udl s SER 96 Ca 0.64 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.70 1udl s SER 96 Cb -0.28 -2.49 -0.12 0.00 0.21 0.00 0.00 66.02 63.34 1udl s SER 96 CO 0.34 -1.22 1.50 -1.20 0.41 0.00 0.00 173.24 173.07 1udl n SER 97 N 7.63 3.53 0.00 2.44 7.64 -1.26 -5.26 113.62 128.35 1udl n SER 97 Ca 0.07 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1udl n SER 97 Cb 0.49 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1udl n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64