#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl h SER 2 N 0.00 -1.03 -5.12 1.61 0.02 -2.14 -3.43 113.55 103.47 1udl h SER 2 Ca 0.00 0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 1udl h SER 2 Cb 0.00 0.51 -0.18 0.00 0.14 0.00 0.00 62.40 62.87 1udl h SER 2 CO 0.00 -0.30 -0.69 -0.44 -1.14 0.00 0.00 176.83 174.26 1udl s SER 3 N -5.13 0.38 0.09 3.07 0.01 -1.26 -5.17 113.70 105.69 1udl s SER 3 Ca -0.15 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1udl s SER 3 Cb 0.15 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 1udl s SER 3 CO 0.69 -0.46 -0.07 -0.83 0.41 0.00 0.00 173.24 172.98 1udl s GLY 4 N -2.25 0.74 -0.02 3.44 0.00 -1.26 -5.11 107.32 102.85 1udl s GLY 4 Ca -0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 1udl s GLY 4 CO -0.06 -1.35 1.68 -1.35 0.00 0.00 0.00 173.10 172.02 1udl s SER 5 N -2.78 6.64 1.18 1.64 1.04 -1.26 -4.99 113.70 115.17 1udl s SER 5 Ca 0.08 2.32 -0.18 0.00 0.48 0.00 0.00 55.95 58.65 1udl s SER 5 Cb 0.02 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.88 1udl s SER 5 CO -0.04 -0.93 1.09 -0.44 0.98 0.00 0.00 173.24 173.90 1udl s SER 6 N 3.29 1.08 0.00 7.02 0.01 -1.26 -5.05 113.70 118.79 1udl s SER 6 Ca 0.75 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1udl s SER 6 Cb -0.35 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.70 1udl s SER 6 CO 0.31 -4.04 0.00 0.61 0.41 0.00 0.00 173.24 170.53 1udl n GLY 7 N -0.69 0.33 3.64 3.44 0.00 -1.26 -4.97 105.19 105.68 1udl n GLY 7 Ca 0.11 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1udl n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1udl s GLN 8 N 0.00 4.08 -1.65 1.61 -2.07 -1.26 -4.34 119.66 116.03 1udl s GLN 8 Ca 0.00 -0.00 -0.16 0.00 -1.82 0.00 0.00 55.36 53.37 1udl s GLN 8 Cb 0.00 -3.59 0.13 0.00 -1.09 0.00 0.00 33.01 28.47 1udl s GLN 8 CO 0.00 -0.11 0.80 1.63 -1.32 0.00 0.00 175.29 176.29 1udl n LYS 9 N 4.77 -3.59 -2.79 9.60 5.02 -1.26 -1.53 118.16 128.38 1udl n LYS 9 Ca -0.10 0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 56.50 1udl n LYS 9 Cb 0.51 -5.12 0.05 0.00 -0.02 0.00 0.00 35.03 30.45 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 -1.50 -0.10 3.26 0.72 0.00 -1.26 -4.94 105.19 101.37 1udl n GLY 10 Ca 0.04 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.22 2.78 -0.54 1.61 -0.11 -0.58 -5.02 118.94 113.85 1udl s TRP 11 Ca 0.06 -1.05 -0.13 0.00 1.22 0.00 0.00 56.10 56.19 1udl s TRP 11 Cb -0.01 -1.89 0.13 0.00 -1.50 0.00 0.00 33.47 30.21 1udl s TRP 11 CO 0.44 -0.48 0.47 -0.06 -4.62 0.00 0.00 176.95 172.70 1udl s PHE 12 N 0.83 3.35 0.09 5.86 0.08 -1.26 -4.01 117.98 122.92 1udl s PHE 12 Ca -0.05 -1.56 -0.02 0.00 0.12 0.00 0.00 56.93 55.42 1udl s PHE 12 Cb -0.15 -3.70 0.02 0.00 -0.57 0.00 0.00 43.02 38.62 1udl s PHE 12 CO -0.00 -1.01 0.08 -0.35 -0.10 0.00 0.00 175.22 173.84 1udl n PRO 13 N 5.00 -1.19 -3.72 0.24 -0.04 -1.26 -5.00 135.00 129.03 1udl n PRO 13 Ca -0.09 -0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 62.88 1udl n PRO 13 Cb 0.41 -0.12 -0.09 0.00 -0.04 0.00 0.00 33.50 33.65 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 14 N -2.98 3.69 0.10 0.55 0.00 -1.26 -5.07 121.76 116.80 1udl s ALA 14 Ca 0.05 -3.39 -0.30 0.00 0.00 0.00 0.00 51.96 48.32 1udl s ALA 14 Cb -0.01 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1udl s ALA 14 CO 0.04 -2.12 1.15 -1.54 0.00 0.00 0.00 175.76 173.30 1udl s SER 15 N 0.42 7.16 -0.17 0.00 1.04 -1.26 -4.96 113.70 115.92 1udl s SER 15 Ca 0.19 2.03 -0.29 0.00 0.48 0.00 0.00 55.95 58.36 1udl s SER 15 Cb -0.18 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 1udl s SER 15 CO -0.05 -0.37 1.38 -2.28 0.98 0.00 0.00 173.24 172.90 1udl s HIS 16 N 0.55 2.58 -0.22 5.02 2.46 -1.26 -5.00 115.29 119.42 1udl s HIS 16 Ca 0.55 0.79 -0.11 0.00 0.47 0.00 0.00 55.06 56.76 1udl s HIS 16 Cb -0.29 -3.69 -0.05 0.00 -0.13 0.00 0.00 32.58 28.42 1udl s HIS 16 CO 0.32 -2.23 0.16 0.54 -2.47 0.00 0.00 174.74 171.05 1udl s VAL 17 N 3.91 5.38 -0.23 0.89 0.11 -1.26 -4.98 120.40 124.22 1udl s VAL 17 Ca 0.60 0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1udl s VAL 17 Cb -0.23 -3.50 0.18 0.00 -1.53 0.00 0.00 36.38 31.29 1udl s VAL 17 CO 0.20 0.39 1.92 0.29 -3.33 0.00 0.00 175.10 174.56 1udl n LYS 18 N 3.91 1.59 -3.80 1.54 4.76 -1.26 -4.74 118.16 120.16 1udl n LYS 18 Ca -0.15 -1.19 -0.35 0.00 -2.87 0.00 0.00 58.31 53.76 1udl n LYS 18 Cb 0.52 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1udl n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1udl s LEU 19 N -1.37 5.04 0.27 -0.35 1.43 -1.26 -5.06 118.68 117.37 1udl s LEU 19 Ca 0.23 -2.58 0.01 0.00 -1.03 0.00 0.00 54.13 50.76 1udl s LEU 19 Cb 0.18 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1udl s LEU 19 CO 0.00 -0.40 0.25 -1.48 0.23 0.00 0.00 176.35 174.96 1udl s LEU 20 N 0.33 1.30 0.00 1.79 0.05 -1.26 -5.16 118.68 115.72 1udl s LEU 20 Ca 0.14 -1.51 0.00 0.00 0.05 0.00 0.00 54.13 52.81 1udl s LEU 20 Cb -0.22 0.67 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 1udl s LEU 20 CO -0.03 -1.00 0.00 0.61 -0.55 0.00 0.00 176.35 175.38 1udl n GLY 21 N -0.44 4.47 0.00 -3.48 0.00 -1.26 -4.96 105.19 99.51 1udl n GLY 21 Ca 0.04 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.49 -5.27 1.61 -0.04 -1.26 -4.65 135.00 125.87 1udl n PRO 22 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1udl n PRO 22 Cb 0.00 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.88 3.10 -0.18 3.54 0.01 -1.26 -5.05 113.70 111.98 1udl s SER 23 Ca 0.18 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1udl s SER 23 Cb 0.08 -0.53 -0.09 0.00 0.21 0.00 0.00 66.02 65.69 1udl s SER 23 CO 0.14 0.30 -0.13 -0.24 0.41 0.00 0.00 173.24 173.71 1udl n SER 24 N 2.60 1.86 -4.86 2.44 2.88 -1.26 -4.92 113.62 112.37 1udl n SER 24 Ca -0.17 0.49 -0.27 0.00 -1.33 0.00 0.00 58.87 57.60 1udl n SER 24 Cb 0.51 -0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1udl n SER 24 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1udl s GLU 25 N -2.43 3.13 0.11 -1.46 2.56 -1.26 -5.05 118.70 114.30 1udl s GLU 25 Ca -0.24 -0.73 0.09 0.00 0.00 0.00 0.00 54.97 54.09 1udl s GLU 25 Cb 0.05 -2.79 -0.04 0.00 2.00 0.00 0.00 34.13 33.35 1udl s GLU 25 CO 0.39 0.51 -0.24 1.03 -0.56 0.00 0.00 175.26 176.39 1udl s ARG 26 N -3.09 1.29 0.52 4.30 1.81 -1.26 -5.15 118.95 117.37 1udl s ARG 26 Ca 0.32 -1.22 0.03 0.00 -1.72 0.00 0.00 55.73 53.14 1udl s ARG 26 Cb -0.11 -1.64 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 1udl s ARG 26 CO 0.25 0.39 0.22 0.00 -0.68 0.00 0.00 175.30 175.48 1udl n ALA 27 N 1.11 0.65 -2.37 2.13 0.00 -1.26 -5.13 120.51 115.64 1udl n ALA 27 Ca -0.19 -2.20 -0.31 0.00 0.00 0.00 0.00 53.44 50.75 1udl n ALA 27 Cb 0.53 1.04 -0.14 0.00 0.00 0.00 0.00 19.45 20.88 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 -2.73 2.30 0.01 0.00 -4.23 -1.26 -5.05 115.64 104.67 1udl s THR 28 Ca 0.17 -1.27 -0.23 0.00 -1.18 0.00 0.00 61.69 59.17 1udl s THR 28 Cb -0.01 -1.89 -0.18 0.00 1.34 0.00 0.00 72.50 71.76 1udl s THR 28 CO 0.11 0.41 1.30 1.55 -0.54 0.00 0.00 174.62 177.45 1udl h PRO 29 N 4.89 0.17 -0.53 3.99 0.13 -2.09 -3.46 132.00 135.10 1udl h PRO 29 Ca -0.46 -0.09 0.22 0.00 -0.87 0.00 0.00 66.00 64.80 1udl h PRO 29 Cb 1.14 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.02 1udl h PRO 29 CO 0.45 0.61 0.39 0.00 -0.23 0.00 0.00 178.00 179.22 1udl s ALA 30 N -4.28 -3.02 0.17 -0.56 0.00 -1.26 -5.18 121.76 107.63 1udl s ALA 30 Ca -0.15 1.91 0.11 0.00 0.00 0.00 0.00 51.96 53.83 1udl s ALA 30 Cb 0.03 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1udl s ALA 30 CO 0.71 -0.97 -0.24 -0.59 0.00 0.00 0.00 175.76 174.67 1udl s PHE 31 N 2.24 2.24 -0.27 0.00 -0.12 -1.26 -5.12 117.98 115.68 1udl s PHE 31 Ca -0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1udl s PHE 31 Cb -0.03 -1.14 0.08 0.00 -0.63 0.00 0.00 43.02 41.30 1udl s PHE 31 CO -0.17 0.43 0.04 -3.38 -0.05 0.00 0.00 175.22 172.09 1udl s HIS 32 N -1.50 2.09 0.65 3.49 -3.43 -1.26 -5.13 115.29 110.21 1udl s HIS 32 Ca 0.18 -1.79 -0.15 0.00 -0.80 0.00 0.00 55.06 52.50 1udl s HIS 32 Cb -0.08 -1.74 -0.00 0.00 -1.43 0.00 0.00 32.58 29.32 1udl s HIS 32 CO 0.08 -0.82 1.11 -1.25 -2.00 0.00 0.00 174.74 171.87 1udl s PRO 33 N 1.49 2.83 0.04 -0.38 0.04 -1.26 -4.96 135.00 132.80 1udl s PRO 33 Ca 0.04 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1udl s PRO 33 Cb -0.18 -1.95 -0.27 0.00 0.04 0.00 0.00 34.50 32.13 1udl s PRO 33 CO -0.15 -1.22 0.99 -0.39 0.04 0.00 0.00 177.00 176.27 1udl h VAL 34 N 0.10 1.32 -2.53 -0.36 -1.51 -1.21 -3.49 116.25 108.57 1udl h VAL 34 Ca -0.47 -2.94 0.14 0.00 -1.23 0.00 0.00 66.70 62.20 1udl h VAL 34 Cb 1.25 2.82 -0.06 0.00 -2.13 0.00 0.00 31.29 33.17 1udl h VAL 34 CO 0.54 0.84 0.45 0.00 -1.23 0.00 0.00 177.57 178.17 1udl s GLN 36 N -3.09 2.93 0.37 0.00 0.74 -1.26 -1.82 119.66 117.53 1udl s GLN 36 Ca 0.14 -0.83 0.06 0.00 0.05 0.00 0.00 55.36 54.78 1udl s GLN 36 Cb -0.03 -2.28 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 1udl s GLN 36 CO 0.04 0.10 0.03 0.14 -0.55 0.00 0.00 175.29 175.05 1udl s VAL 37 N 0.54 1.65 -0.03 1.34 -7.23 -0.87 -3.20 120.40 112.60 1udl s VAL 37 Ca -0.14 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1udl s VAL 37 Cb -0.17 -2.90 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 1udl s VAL 37 CO 0.05 -0.01 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.17 1udl s ILE 38 N -2.97 1.25 0.19 -0.62 2.07 0.04 -3.56 121.20 117.61 1udl s ILE 38 Ca 0.36 -0.63 -0.32 0.00 -1.41 0.00 0.00 60.65 58.65 1udl s ILE 38 Cb 0.09 -1.08 -0.11 0.00 0.13 0.00 0.00 42.46 41.49 1udl s ILE 38 CO 0.17 0.37 1.64 0.00 -1.91 0.00 0.00 174.94 175.20 1udl s ALA 39 N -0.00 3.85 -0.06 1.50 0.00 -1.25 -0.56 121.76 125.24 1udl s ALA 39 Ca -0.02 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 1udl s ALA 39 Cb -0.10 -3.66 -0.27 0.00 0.00 0.00 0.00 23.12 19.10 1udl s ALA 39 CO 0.01 -0.85 0.62 0.52 0.00 0.00 0.00 175.76 176.06 1udl h MET 40 N 6.68 0.23 -4.90 0.00 0.00 -0.79 -0.79 114.93 115.36 1udl h MET 40 Ca -0.43 -0.39 -0.29 0.00 0.00 0.00 0.00 59.70 58.59 1udl h MET 40 Cb 1.20 0.15 -0.15 0.00 0.00 0.00 0.00 31.60 32.80 1udl h MET 40 CO 0.93 1.07 -0.71 0.71 0.00 0.00 0.00 176.91 178.90 1udl s TYR 41 N -2.59 1.10 -0.61 -0.22 2.02 -1.25 -4.80 117.35 111.00 1udl s TYR 41 Ca -0.14 -0.80 -0.26 0.00 -0.37 0.00 0.00 57.07 55.49 1udl s TYR 41 Cb 0.07 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 41.01 1udl s TYR 41 CO 0.82 -0.01 1.98 0.16 -1.57 0.00 0.00 175.55 176.93 1udl s ASP 42 N -3.04 5.08 -0.06 2.29 1.47 -1.26 -3.74 116.67 117.40 1udl s ASP 42 Ca 0.14 0.40 -0.22 0.00 1.18 0.00 0.00 52.55 54.04 1udl s ASP 42 Cb 0.03 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 1udl s ASP 42 CO -0.01 -2.53 0.65 -0.47 0.68 0.00 0.00 175.17 173.49 1udl s TYR 43 N 9.85 3.59 -0.27 2.11 6.14 -0.38 -4.89 117.35 133.50 1udl s TYR 43 Ca 0.74 1.19 0.02 0.00 0.64 0.00 0.00 57.07 59.65 1udl s TYR 43 Cb -0.13 -2.73 0.06 0.00 0.42 0.00 0.00 41.96 39.57 1udl s TYR 43 CO 0.20 0.15 -0.08 0.00 0.64 0.00 0.00 175.55 176.46 1udl s ALA 44 N 0.58 2.64 0.01 3.97 0.00 -1.26 -0.65 121.76 127.06 1udl s ALA 44 Ca 0.35 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1udl s ALA 44 Cb -0.17 -1.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 1udl s ALA 44 CO 0.17 -1.22 1.41 0.00 0.00 0.00 0.00 175.76 176.12 1udl s ALA 45 N 1.14 3.58 -0.70 0.00 0.00 -1.24 -4.88 121.76 119.66 1udl s ALA 45 Ca -0.08 0.92 0.20 0.00 0.00 0.00 0.00 51.96 53.00 1udl s ALA 45 Cb -0.20 -3.59 0.84 0.00 0.00 0.00 0.00 23.12 20.17 1udl s ALA 45 CO -0.04 -0.89 1.62 0.09 0.00 0.00 0.00 175.76 176.55 1udl n ASN 46 N 5.22 0.40 -3.44 0.00 3.02 -1.26 -4.82 115.26 114.38 1udl n ASN 46 Ca 0.13 0.60 -0.02 0.00 -0.03 0.00 0.00 54.58 55.26 1udl n ASN 46 Cb 0.43 -0.68 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1udl n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1udl s ASN 47 N -3.75 0.02 0.39 6.41 4.22 -1.26 -5.02 114.94 115.95 1udl s ASN 47 Ca 0.06 -0.59 0.11 0.00 -2.14 0.00 0.00 52.86 50.29 1udl s ASN 47 Cb 0.10 0.42 0.89 0.00 1.28 0.00 0.00 41.25 43.94 1udl s ASN 47 CO 0.35 -0.85 1.92 -0.33 -2.04 0.00 0.00 177.10 176.16 1udl h GLU 48 N 2.00 0.58 -0.94 3.55 4.39 -1.99 -1.24 114.58 120.93 1udl h GLU 48 Ca -0.26 -0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.61 1udl h GLU 48 Cb 1.21 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.61 1udl h GLU 48 CO 0.36 0.38 0.51 -0.44 -1.16 0.00 0.00 179.01 178.66 1udl h ASP 49 N 0.60 0.57 -1.52 1.42 5.19 -1.95 -3.42 116.42 117.32 1udl h ASP 49 Ca 0.37 0.12 -0.45 0.00 -0.62 0.00 0.00 57.03 56.45 1udl h ASP 49 Cb 0.61 0.04 0.04 0.00 0.18 0.00 0.00 39.33 40.20 1udl h ASP 49 CO -0.14 0.13 -0.12 -1.61 -3.12 0.00 0.00 179.24 174.39 1udl s GLU 50 N -5.86 2.44 -0.17 3.56 2.02 -0.47 -3.02 118.70 117.20 1udl s GLU 50 Ca -0.11 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.58 1udl s GLU 50 Cb 0.25 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1udl s GLU 50 CO 0.79 -0.71 -0.09 -1.17 0.02 0.00 0.00 175.26 174.10 1udl s LEU 51 N -4.64 2.85 -0.37 1.80 0.20 -1.04 -4.38 118.68 113.10 1udl s LEU 51 Ca 0.59 -0.33 -0.16 0.00 0.69 0.00 0.00 54.13 54.92 1udl s LEU 51 Cb -0.08 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 1udl s LEU 51 CO 0.38 0.10 0.42 -0.94 -0.29 0.00 0.00 176.35 176.01 1udl s SER 52 N 0.77 6.21 0.22 3.68 1.04 -1.26 -3.67 113.70 120.69 1udl s SER 52 Ca -0.03 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1udl s SER 52 Cb -0.15 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1udl s SER 52 CO 0.01 -0.46 0.22 0.72 0.98 0.00 0.00 173.24 174.71 1udl s PHE 53 N 2.13 1.02 0.15 5.02 -0.71 0.18 -4.89 117.98 120.89 1udl s PHE 53 Ca 0.13 -1.26 0.10 0.00 -1.04 0.00 0.00 56.93 54.87 1udl s PHE 53 Cb -0.17 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 1udl s PHE 53 CO 0.13 -0.74 -0.22 -1.12 -1.34 0.00 0.00 175.22 171.93 1udl s SER 54 N -3.14 3.58 -0.32 1.98 0.01 -1.26 -1.25 113.70 113.29 1udl s SER 54 Ca 0.35 -0.72 -0.43 0.00 1.31 0.00 0.00 55.95 56.46 1udl s SER 54 Cb 0.05 -0.36 -0.19 0.00 0.21 0.00 0.00 66.02 65.74 1udl s SER 54 CO 0.12 0.16 1.55 1.17 0.41 0.00 0.00 173.24 176.65 1udl n LYS 55 N 0.61 0.40 -1.22 12.44 4.81 -1.25 -1.41 118.16 132.55 1udl n LYS 55 Ca -0.15 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1udl n LYS 55 Cb 0.54 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 3.59 1.04 3.94 3.14 0.00 -0.30 -4.96 105.19 111.65 1udl n GLY 56 Ca 0.27 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.77 2.94 -0.59 1.61 2.00 -0.50 -4.85 119.66 117.51 1udl s GLN 57 Ca 0.00 -0.36 -0.22 0.00 -2.00 0.00 0.00 55.36 52.78 1udl s GLN 57 Cb 0.00 -2.45 0.06 0.00 0.80 0.00 0.00 33.01 31.42 1udl s GLN 57 CO 0.00 -0.48 0.85 -1.17 -0.50 0.00 0.00 175.29 173.99 1udl s LEU 58 N -4.73 4.58 -0.15 3.68 2.96 -1.26 -3.82 118.68 119.93 1udl s LEU 58 Ca 0.51 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1udl s LEU 58 Cb -0.10 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1udl s LEU 58 CO 0.40 -1.22 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.37 1udl s ILE 59 N 3.53 2.03 -0.42 6.68 1.01 -1.23 -3.98 121.20 128.82 1udl s ILE 59 Ca 0.21 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1udl s ILE 59 Cb -0.17 -1.80 0.11 0.00 0.01 0.00 0.00 42.46 40.61 1udl s ILE 59 CO 0.12 0.54 0.23 0.20 0.00 0.00 0.00 174.94 176.04 1udl s ASN 60 N 0.92 5.35 0.03 3.58 -0.87 -1.20 -2.04 114.94 120.70 1udl s ASN 60 Ca -0.05 -1.99 -0.33 0.00 -1.57 0.00 0.00 52.86 48.93 1udl s ASN 60 Cb -0.15 -1.87 -0.11 0.00 -0.02 0.00 0.00 41.25 39.10 1udl s ASN 60 CO -0.04 -0.57 1.85 0.52 -2.57 0.00 0.00 177.10 176.29 1udl n VAL 61 N 4.67 0.49 -0.09 1.60 0.31 -0.75 -3.41 118.33 121.14 1udl n VAL 61 Ca -0.04 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 64.09 1udl n VAL 61 Cb 0.41 -1.99 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 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 6.14 0.79 -3.53 5.55 0.00 0.80 -0.85 117.12 126.01 1udl n MET 62 Ca 0.20 0.08 -0.23 0.00 0.00 0.00 0.00 57.70 57.74 1udl n MET 62 Cb 0.34 -1.38 -0.14 0.00 0.00 0.00 0.00 33.22 32.03 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 -5.56 2.27 -0.35 7.83 -0.87 -1.24 -4.44 114.94 112.58 1udl s ASN 63 Ca -0.20 -0.68 0.06 0.00 -1.57 0.00 0.00 52.86 50.47 1udl s ASN 63 Cb 0.06 0.00 0.47 0.00 -0.02 0.00 0.00 41.25 41.76 1udl s ASN 63 CO 0.49 -0.37 1.40 2.29 -2.57 0.00 0.00 177.10 178.34 1udl n LYS 64 N 5.29 2.85 -0.21 -0.60 2.85 -1.26 -2.82 118.16 124.26 1udl n LYS 64 Ca -0.06 -3.71 0.27 0.00 -1.05 0.00 0.00 58.31 53.76 1udl n LYS 64 Cb 0.47 -2.11 0.67 0.00 -0.65 0.00 0.00 35.03 33.41 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 1.76 0.11 -3.47 -5.58 3.04 -1.95 -3.37 116.42 106.96 1udl h ASP 65 Ca 0.34 0.01 -0.65 0.00 -3.24 0.00 0.00 57.03 53.50 1udl h ASP 65 Cb 1.39 -0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 39.45 1udl h ASP 65 CO 0.74 0.04 -0.65 -1.81 -2.04 0.00 0.00 179.24 175.51 1udl s ASP 66 N -5.57 4.88 0.00 4.15 1.11 -1.26 -4.97 116.67 115.01 1udl s ASP 66 Ca -0.06 -0.21 0.12 0.00 0.18 0.00 0.00 52.55 52.58 1udl s ASP 66 Cb 0.22 -1.84 0.71 0.00 1.07 0.00 0.00 42.92 43.08 1udl s ASP 66 CO 0.78 0.04 1.14 -0.81 1.18 0.00 0.00 175.17 177.50 1udl n PRO 67 N 4.42 0.49 -0.11 8.23 -0.04 -1.26 -2.91 135.00 143.82 1udl n PRO 67 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1udl n PRO 67 Cb 0.52 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.88 1.94 -4.08 3.54 8.00 -1.26 -4.70 116.55 119.11 1udl n ASP 68 Ca 0.09 0.31 -0.20 0.00 0.71 0.00 0.00 54.79 55.70 1udl n ASP 68 Cb 0.04 -0.84 -0.14 0.00 -0.02 0.00 0.00 41.12 40.16 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 -2.46 1.05 0.11 1.24 0.52 -1.15 -1.23 118.94 117.02 1udl s TRP 69 Ca -0.33 -0.24 0.10 0.00 0.02 0.00 0.00 56.10 55.65 1udl s TRP 69 Cb 0.10 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 1udl s TRP 69 CO 0.57 -0.01 -0.26 -1.58 0.02 0.00 0.00 176.95 175.70 1udl s TRP 70 N -0.44 2.20 -0.21 -1.98 0.51 0.91 -4.34 118.94 115.60 1udl s TRP 70 Ca 0.03 -0.39 -0.07 0.00 -2.12 0.00 0.00 56.10 53.55 1udl s TRP 70 Cb -0.05 -1.22 -0.04 0.00 -0.81 0.00 0.00 33.47 31.35 1udl s TRP 70 CO -0.00 0.27 0.06 -1.14 -0.51 0.00 0.00 176.95 175.62 1udl s GLN 71 N -1.84 3.82 0.25 4.98 0.74 -1.13 -2.75 119.66 123.74 1udl s GLN 71 Ca 0.12 -0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.16 1udl s GLN 71 Cb -0.10 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 1udl s GLN 71 CO 0.05 0.09 0.15 0.41 -0.55 0.00 0.00 175.29 175.44 1udl n GLY 72 N 4.09 3.37 3.24 2.59 0.00 -1.26 -0.14 105.19 117.08 1udl n GLY 72 Ca -0.16 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.00 1.04 -0.28 1.61 -1.05 -1.22 -3.52 118.70 112.29 1udl s GLU 73 Ca 0.21 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 1udl s GLU 73 Cb 0.01 -0.70 0.16 0.00 -0.44 0.00 0.00 34.13 33.16 1udl s GLU 73 CO 0.15 0.10 0.45 0.42 0.95 0.00 0.00 175.26 177.34 1udl s ILE 74 N -2.93 -0.73 -1.06 1.83 1.01 0.90 -3.24 121.20 116.98 1udl s ILE 74 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1udl s ILE 74 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1udl s ILE 74 CO 0.01 -0.15 0.88 0.59 0.00 0.00 0.00 174.94 176.28 1udl n ASN 75 N 5.38 -2.46 -0.04 3.58 3.02 -1.26 -2.02 115.26 121.45 1udl n ASN 75 Ca -0.00 -0.56 -0.01 0.00 -0.03 0.00 0.00 54.58 53.98 1udl n ASN 75 Cb 0.50 -4.64 -0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 0.29 3.69 7.41 0.00 -1.26 -4.99 105.19 109.20 1udl n GLY 76 Ca -0.24 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.53 4.07 0.08 1.61 0.11 -0.86 -5.10 120.40 118.78 1udl s VAL 77 Ca 0.00 -0.89 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 1udl s VAL 77 Cb 0.00 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1udl s VAL 77 CO 0.00 0.18 -0.13 0.42 -3.33 0.00 0.00 175.10 172.24 1udl s THR 78 N -1.26 1.05 0.00 5.04 -4.23 -1.26 -0.07 115.64 114.90 1udl s THR 78 Ca 0.25 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1udl s THR 78 Cb -0.12 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1udl s THR 78 CO 0.17 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1udl n GLY 79 N 1.02 2.54 2.85 3.99 0.00 -1.23 -4.86 105.19 109.49 1udl n GLY 79 Ca -0.19 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 0.04 0.99 1.43 -1.17 -4.35 118.68 117.34 1udl s LEU 80 Ca 0.00 0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 1udl s LEU 80 Cb 0.00 -0.05 0.04 0.00 0.03 0.00 0.00 46.19 46.21 1udl s LEU 80 CO 0.00 -0.03 0.41 0.72 0.23 0.00 0.00 176.35 177.67 1udl s PHE 81 N 0.32 -0.27 0.44 0.29 -0.12 -1.11 -2.49 117.98 115.04 1udl s PHE 81 Ca -0.03 0.24 -0.24 0.00 -0.05 0.00 0.00 56.93 56.86 1udl s PHE 81 Cb -0.04 0.21 -0.08 0.00 -0.63 0.00 0.00 43.02 42.48 1udl s PHE 81 CO -0.01 -0.56 1.17 -1.25 -0.05 0.00 0.00 175.22 174.53 1udl s PRO 82 N -2.38 3.86 0.00 1.99 0.04 -1.26 -0.06 135.00 137.19 1udl s PRO 82 Ca -0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1udl s PRO 82 Cb -0.01 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1udl s PRO 82 CO -0.02 -0.48 0.91 -1.13 0.04 0.00 0.00 177.00 176.33 1udl n SER 83 N -0.28 0.10 -0.00 6.66 3.41 -0.36 -2.73 113.62 120.42 1udl n SER 83 Ca 0.06 -1.91 0.07 0.00 -0.26 0.00 0.00 58.87 56.82 1udl n SER 83 Cb 0.47 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1udl n ASN 84 N -0.45 0.94 -0.07 4.04 4.13 -1.26 -4.35 115.26 118.25 1udl n ASN 84 Ca 0.00 -0.61 0.11 0.00 1.68 0.00 0.00 54.58 55.77 1udl n ASN 84 Cb 0.02 1.18 0.12 0.00 -1.54 0.00 0.00 39.78 39.57 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1udl n TYR 85 N -1.51 0.00 -4.26 3.10 4.02 -1.10 -4.91 117.16 112.49 1udl n TYR 85 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 1udl n TYR 85 Cb 0.26 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.90 3.25 0.06 -0.72 -7.23 -1.26 -0.03 120.40 111.57 1udl s VAL 86 Ca 0.12 -1.30 0.09 0.00 -1.81 0.00 0.00 61.98 59.08 1udl s VAL 86 Cb 0.17 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1udl s VAL 86 CO 0.73 0.12 -0.26 -0.75 -0.31 0.00 0.00 175.10 174.63 1udl s LYS 87 N -2.15 1.71 -0.17 4.82 2.47 0.27 -4.89 119.74 121.81 1udl s LYS 87 Ca 0.20 -1.13 -0.29 0.00 -1.56 0.00 0.00 55.97 53.19 1udl s LYS 87 Cb -0.11 -1.92 -0.04 0.00 -1.46 0.00 0.00 37.83 34.30 1udl s LYS 87 CO 0.13 0.49 1.68 -1.64 0.16 0.00 0.00 175.35 176.16 1udl s MET 88 N -1.34 3.87 0.17 4.03 -1.94 -1.26 -0.78 119.30 122.04 1udl s MET 88 Ca 0.12 1.86 -0.15 0.00 -1.71 0.00 0.00 55.69 55.81 1udl s MET 88 Cb -0.10 -4.05 0.05 0.00 2.01 0.00 0.00 34.83 32.74 1udl s MET 88 CO 0.03 -1.21 1.82 1.79 -0.01 0.00 0.00 175.02 177.44 1udl h THR 89 N 6.03 1.11 -5.07 2.05 1.35 -1.88 -3.46 112.91 113.04 1udl h THR 89 Ca -0.36 -0.21 -0.38 0.00 -0.55 0.00 0.00 66.41 64.91 1udl h THR 89 Cb 1.17 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 67.98 1udl h THR 89 CO 0.98 0.11 -0.55 0.35 -0.25 0.00 0.00 175.52 176.16 1udl n THR 90 N -4.77 -1.26 -3.24 6.82 -2.24 -1.26 -4.93 114.28 103.40 1udl n THR 90 Ca 0.02 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1udl n THR 90 Cb 0.03 -2.29 -0.06 0.00 -2.10 0.00 0.00 70.33 65.91 1udl n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1udl s ASP 91 N -2.67 7.05 -0.37 3.42 2.15 -1.26 -5.05 116.67 119.94 1udl s ASP 91 Ca 0.35 1.25 -0.11 0.00 0.43 0.00 0.00 52.55 54.46 1udl s ASP 91 Cb -0.17 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1udl s ASP 91 CO 0.43 0.22 0.21 -0.55 -0.17 0.00 0.00 175.17 175.30 1udl s SER 92 N -0.82 5.74 0.05 -0.34 0.15 -1.26 -5.07 113.70 112.14 1udl s SER 92 Ca 0.30 -0.90 0.08 0.00 0.70 0.00 0.00 55.95 56.12 1udl s SER 92 Cb -0.19 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1udl s SER 92 CO 0.19 -0.36 -0.22 -0.55 1.20 0.00 0.00 173.24 173.50 1udl s SER 93 N 1.58 2.62 0.00 5.45 0.15 -1.26 -5.13 113.70 117.11 1udl s SER 93 Ca 0.03 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1udl s SER 93 Cb -0.19 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1udl s SER 93 CO 0.07 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1udl n GLY 94 N 1.76 1.83 3.75 9.45 0.00 -1.26 -5.14 105.19 115.57 1udl n GLY 94 Ca -0.17 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 4.43 0.25 1.61 0.04 -1.26 -5.03 135.00 133.03 1udl s PRO 95 Ca 0.00 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 1udl s PRO 95 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1udl s PRO 95 CO 0.00 -0.15 0.38 -1.12 0.04 0.00 0.00 177.00 176.15 1udl s SER 96 N -0.09 0.14 -0.35 6.66 0.01 -1.26 -5.14 113.70 113.68 1udl s SER 96 Ca 0.52 -1.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 1udl s SER 96 Cb -0.36 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.42 1udl s SER 96 CO 0.43 -1.08 0.20 -0.44 0.41 0.00 0.00 173.24 172.75 1udl s SER 97 N -3.09 5.74 0.00 2.44 0.01 -1.26 -5.35 113.70 112.18 1udl s SER 97 Ca 0.28 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1udl s SER 97 Cb 0.02 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1udl s SER 97 CO 0.12 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.07