#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 5.49 -0.21 1.61 0.01 -1.26 -5.04 113.70 114.30 1udl s SER 2 Ca 0.00 -0.67 -0.40 0.00 1.31 0.00 0.00 55.95 56.19 1udl s SER 2 Cb 0.00 -1.98 -0.17 0.00 0.21 0.00 0.00 66.02 64.09 1udl s SER 2 CO 0.00 -0.23 1.61 -0.24 0.41 0.00 0.00 173.24 174.78 1udl n SER 3 N 4.96 1.98 0.00 2.44 2.88 -1.26 -4.24 113.62 120.37 1udl n SER 3 Ca -0.14 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1udl n SER 3 Cb 0.48 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1udl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 4 N 3.68 -0.01 3.64 0.46 0.00 -1.26 -5.08 105.19 106.61 1udl n GLY 4 Ca 0.25 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1udl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1udl s SER 5 N -4.00 6.65 0.23 1.61 1.04 -1.26 -4.97 113.70 113.01 1udl s SER 5 Ca 0.00 1.40 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 1udl s SER 5 Cb 0.00 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1udl s SER 5 CO 0.00 -1.06 0.70 -0.55 0.98 0.00 0.00 173.24 173.31 1udl s SER 6 N 2.99 -0.35 0.00 7.02 0.15 -1.26 -4.94 113.70 117.30 1udl s SER 6 Ca 0.60 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1udl s SER 6 Cb -0.20 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1udl s SER 6 CO 0.23 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1udl n GLY 7 N -0.43 0.89 3.36 9.45 0.00 -1.26 -5.15 105.19 112.04 1udl n GLY 7 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 1.80 0.27 1.61 -0.21 -1.26 -5.03 119.66 116.84 1udl s GLN 8 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1udl s GLN 8 Cb 0.00 -1.99 0.59 0.00 1.00 0.00 0.00 33.01 32.61 1udl s GLN 8 CO 0.00 0.51 1.75 0.87 -2.12 0.00 0.00 175.29 176.30 1udl h LYS 9 N 4.71 0.55 -0.49 2.91 6.56 -2.07 -3.46 116.57 125.28 1udl h LYS 9 Ca -0.47 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1udl h LYS 9 Cb 1.14 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1udl h LYS 9 CO 0.44 0.37 0.00 0.41 -2.06 0.00 0.00 179.45 178.60 1udl n GLY 10 N -1.33 0.98 3.21 3.86 0.00 -1.26 -5.08 105.19 105.57 1udl n GLY 10 Ca 0.18 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.49 2.38 -0.50 1.61 -0.11 -1.26 -5.10 118.94 113.47 1udl s TRP 11 Ca 0.00 -0.88 -0.20 0.00 1.22 0.00 0.00 56.10 56.25 1udl s TRP 11 Cb 0.00 -1.59 0.05 0.00 -1.50 0.00 0.00 33.47 30.43 1udl s TRP 11 CO 0.00 -0.33 0.64 0.12 -4.62 0.00 0.00 176.95 172.76 1udl s PHE 12 N 0.20 3.04 0.24 5.86 5.36 -1.26 -5.06 117.98 126.35 1udl s PHE 12 Ca -0.13 -0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 55.36 1udl s PHE 12 Cb -0.16 -3.53 0.06 0.00 -0.34 0.00 0.00 43.02 39.05 1udl s PHE 12 CO 0.07 -1.03 0.21 -0.35 -1.46 0.00 0.00 175.22 172.66 1udl n PRO 13 N 6.26 -1.43 -1.57 10.12 -0.04 -1.26 -4.95 135.00 142.13 1udl n PRO 13 Ca -0.05 -0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 62.73 1udl n PRO 13 Cb 0.46 -0.32 0.06 0.00 -0.04 0.00 0.00 33.50 33.66 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl n ALA 14 N -3.36 6.12 -2.72 0.55 0.00 -1.26 -4.98 120.51 114.87 1udl n ALA 14 Ca -0.04 -3.66 -0.25 0.00 0.00 0.00 0.00 53.44 49.49 1udl n ALA 14 Cb 0.11 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 1udl n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1udl s SER 15 N -2.05 5.02 0.35 0.00 0.01 -1.26 -5.02 113.70 110.75 1udl s SER 15 Ca 0.60 -0.36 -0.28 0.00 1.31 0.00 0.00 55.95 57.22 1udl s SER 15 Cb 0.48 -1.14 -0.10 0.00 0.21 0.00 0.00 66.02 65.46 1udl s SER 15 CO -0.07 0.05 1.37 -2.28 0.41 0.00 0.00 173.24 172.71 1udl s HIS 16 N -1.90 2.87 0.04 2.43 5.65 -1.26 -5.02 115.29 118.10 1udl s HIS 16 Ca 0.30 1.33 0.03 0.00 0.25 0.00 0.00 55.06 56.97 1udl s HIS 16 Cb -0.09 -3.80 -0.04 0.00 -1.18 0.00 0.00 32.58 27.48 1udl s HIS 16 CO 0.21 -2.27 -0.01 0.14 -0.65 0.00 0.00 174.74 172.16 1udl s VAL 17 N -1.14 4.02 -0.23 0.89 -7.23 -1.26 -5.03 120.40 110.42 1udl s VAL 17 Ca 0.51 -0.79 0.16 0.00 -1.81 0.00 0.00 61.98 60.04 1udl s VAL 17 Cb -0.42 -2.84 0.47 0.00 0.56 0.00 0.00 36.38 34.15 1udl s VAL 17 CO 0.56 0.27 1.16 2.29 -0.31 0.00 0.00 175.10 179.07 1udl n LYS 18 N 1.06 2.20 -3.87 4.82 0.00 -1.26 -5.04 118.16 116.07 1udl n LYS 18 Ca -0.13 -3.54 -0.35 0.00 -0.00 0.00 0.00 58.31 54.29 1udl n LYS 18 Cb 0.52 -1.66 -0.14 0.00 -0.00 0.00 0.00 35.03 33.76 1udl n LYS 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1udl s LEU 19 N -3.16 3.06 0.67 -5.58 0.20 -1.26 -5.09 118.68 107.52 1udl s LEU 19 Ca 0.38 -0.38 -0.17 0.00 0.69 0.00 0.00 54.13 54.66 1udl s LEU 19 Cb 0.37 -1.78 -0.06 0.00 -0.43 0.00 0.00 46.19 44.29 1udl s LEU 19 CO -0.03 -0.03 0.52 0.00 -0.29 0.00 0.00 176.35 176.52 1udl n LEU 20 N 4.82 0.80 -4.77 -0.68 -0.00 -1.26 -4.91 117.00 111.01 1udl n LEU 20 Ca -0.18 0.64 -0.38 0.00 -0.00 0.00 0.00 56.01 56.09 1udl n LEU 20 Cb 0.51 -1.20 -0.01 0.00 -0.00 0.00 0.00 43.42 42.71 1udl n LEU 20 CO 0.29 -3.10 0.84 -0.83 -0.00 0.00 0.00 177.39 174.59 1udl s GLY 21 N -1.37 2.82 0.96 1.47 0.00 -1.26 -5.02 107.32 104.92 1udl s GLY 21 Ca 0.66 0.96 -0.12 0.00 0.00 0.00 0.00 44.72 46.23 1udl s GLY 21 CO 0.57 1.45 1.09 2.56 0.00 0.00 0.00 173.10 178.77 1udl s PRO 22 N -2.49 0.78 0.07 2.90 0.04 -1.26 -4.98 135.00 130.05 1udl s PRO 22 Ca 0.60 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 1udl s PRO 22 Cb -0.30 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1udl s PRO 22 CO 0.37 -2.53 1.50 0.77 0.04 0.00 0.00 177.00 177.15 1udl h SER 23 N -1.75 0.31 -3.19 6.66 0.02 -2.06 -3.43 113.55 110.11 1udl h SER 23 Ca -0.52 -0.31 -0.31 0.00 -0.84 0.00 0.00 61.79 59.81 1udl h SER 23 Cb 1.31 -0.08 -0.36 0.00 0.14 0.00 0.00 62.40 63.40 1udl h SER 23 CO 0.56 0.54 -0.66 -0.55 -1.14 0.00 0.00 176.83 175.58 1udl s SER 24 N -5.82 0.76 -0.24 3.07 0.15 -1.26 -5.12 113.70 105.24 1udl s SER 24 Ca -0.14 0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 1udl s SER 24 Cb 0.06 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1udl s SER 24 CO 0.72 -0.23 1.46 -0.70 1.20 0.00 0.00 173.24 175.69 1udl s GLU 25 N 2.13 3.90 -0.14 5.44 2.56 -1.26 -4.99 118.70 126.33 1udl s GLU 25 Ca 0.02 1.51 -0.16 0.00 0.00 0.00 0.00 54.97 56.34 1udl s GLU 25 Cb -0.12 -3.95 -0.04 0.00 2.00 0.00 0.00 34.13 32.02 1udl s GLU 25 CO -0.05 -1.15 0.39 -0.98 -0.56 0.00 0.00 175.26 172.91 1udl s ARG 26 N 4.34 4.30 -0.27 4.30 1.70 -1.26 -5.06 118.95 127.01 1udl s ARG 26 Ca 0.64 0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 55.93 1udl s ARG 26 Cb -0.22 -3.43 0.12 0.00 -0.57 0.00 0.00 34.95 30.86 1udl s ARG 26 CO 0.25 0.19 1.04 0.00 -1.08 0.00 0.00 175.30 175.70 1udl s ALA 27 N 0.57 -1.97 0.30 7.88 0.00 -1.26 -5.16 121.76 122.12 1udl s ALA 27 Ca 0.22 1.84 -0.28 0.00 0.00 0.00 0.00 51.96 53.73 1udl s ALA 27 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1udl s ALA 27 CO 0.07 -0.24 1.07 0.95 0.00 0.00 0.00 175.76 177.61 1udl s THR 28 N 0.08 3.59 -1.03 0.00 -4.23 -1.26 -4.93 115.64 107.87 1udl s THR 28 Ca 0.03 1.53 0.14 0.00 -1.18 0.00 0.00 61.69 62.21 1udl s THR 28 Cb -0.05 -3.94 0.13 0.00 1.34 0.00 0.00 72.50 69.98 1udl s THR 28 CO -0.06 0.31 1.45 -0.81 -0.54 0.00 0.00 174.62 174.97 1udl n PRO 29 N 0.98 0.02 -3.76 3.99 -0.04 -1.26 -4.48 135.00 130.44 1udl n PRO 29 Ca -0.00 0.25 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 1udl n PRO 29 Cb 0.46 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1udl n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 30 N -2.97 3.04 -0.21 0.55 0.00 -1.26 -5.08 121.76 115.83 1udl s ALA 30 Ca 0.07 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.16 1udl s ALA 30 Cb 0.09 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1udl s ALA 30 CO 0.26 -1.35 0.14 -0.59 0.00 0.00 0.00 175.76 174.21 1udl s PHE 31 N 1.39 3.40 -0.31 0.00 -0.71 -1.26 -5.06 117.98 115.42 1udl s PHE 31 Ca -0.02 0.32 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1udl s PHE 31 Cb -0.20 -2.18 0.10 0.00 -1.21 0.00 0.00 43.02 39.53 1udl s PHE 31 CO 0.02 0.26 0.08 -3.38 -1.34 0.00 0.00 175.22 170.86 1udl s HIS 32 N 0.46 2.06 1.11 3.49 -3.43 -1.26 -5.13 115.29 112.59 1udl s HIS 32 Ca 0.08 -1.93 -0.16 0.00 -0.80 0.00 0.00 55.06 52.26 1udl s HIS 32 Cb -0.11 -1.90 0.24 0.00 -1.43 0.00 0.00 32.58 29.38 1udl s HIS 32 CO -0.01 -0.88 1.10 -1.25 -2.00 0.00 0.00 174.74 171.70 1udl s PRO 33 N 1.50 -0.45 -0.11 -0.38 0.04 -1.26 -4.97 135.00 129.37 1udl s PRO 33 Ca 0.09 0.21 0.12 0.00 0.04 0.00 0.00 61.00 61.46 1udl s PRO 33 Cb -0.18 -1.66 -0.24 0.00 0.04 0.00 0.00 34.50 32.47 1udl s PRO 33 CO -0.21 -3.25 0.41 1.55 0.04 0.00 0.00 177.00 175.53 1udl n VAL 34 N -4.49 1.55 -3.49 -0.36 3.14 0.16 -4.93 118.33 109.92 1udl n VAL 34 Ca 0.09 -0.79 -0.09 0.00 -2.96 0.00 0.00 64.34 60.58 1udl n VAL 34 Cb 0.58 -0.94 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 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 -3.18 3.43 0.47 0.00 0.74 -1.26 0.63 119.66 120.49 1udl s GLN 36 Ca 0.04 -0.65 0.02 0.00 0.05 0.00 0.00 55.36 54.83 1udl s GLN 36 Cb -0.01 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.33 1udl s GLN 36 CO -0.09 0.13 0.04 0.14 -0.55 0.00 0.00 175.29 174.96 1udl s VAL 37 N 0.59 1.01 -0.02 1.34 -7.23 -0.92 -3.33 120.40 111.83 1udl s VAL 37 Ca -0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1udl s VAL 37 Cb -0.15 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1udl s VAL 37 CO 0.03 0.00 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.21 1udl s ILE 38 N -2.98 0.84 0.29 -0.62 2.07 -0.68 -3.69 121.20 116.43 1udl s ILE 38 Ca 0.13 -0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 1udl s ILE 38 Cb 0.02 -0.74 -0.11 0.00 0.13 0.00 0.00 42.46 41.77 1udl s ILE 38 CO 0.07 0.26 1.51 0.00 -1.91 0.00 0.00 174.94 174.87 1udl s ALA 39 N 0.12 3.67 -0.12 1.50 0.00 -1.25 -1.00 121.76 124.68 1udl s ALA 39 Ca -0.02 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.44 1udl s ALA 39 Cb -0.08 -3.60 -0.24 0.00 0.00 0.00 0.00 23.12 19.20 1udl s ALA 39 CO 0.00 -0.90 0.36 -1.33 0.00 0.00 0.00 175.76 173.89 1udl n MET 40 N 1.89 0.70 -4.07 0.00 2.81 -0.66 -1.89 117.12 115.90 1udl n MET 40 Ca 0.06 0.23 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1udl n MET 40 Cb 0.39 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 31.09 1udl n MET 40 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1udl s TYR 41 N -2.56 0.66 -0.53 2.03 2.02 -1.26 -4.80 117.35 112.91 1udl s TYR 41 Ca -0.17 -0.55 -0.27 0.00 -0.37 0.00 0.00 57.07 55.71 1udl s TYR 41 Cb 0.07 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 41.15 1udl s TYR 41 CO 0.77 -0.10 2.43 -0.40 -1.57 0.00 0.00 175.55 176.68 1udl n ASP 42 N 1.32 2.14 -4.73 2.29 5.68 -1.26 -4.19 116.55 117.79 1udl n ASP 42 Ca -0.22 -0.34 -0.39 0.00 -0.50 0.00 0.00 54.79 53.35 1udl n ASP 42 Cb 0.55 -1.49 -0.06 0.00 -1.14 0.00 0.00 41.12 38.99 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1udl s TYR 43 N 11.38 3.57 -0.29 2.11 6.14 0.04 -4.88 117.35 135.40 1udl s TYR 43 Ca 1.03 1.05 0.01 0.00 0.64 0.00 0.00 57.07 59.81 1udl s TYR 43 Cb -0.34 -2.63 0.09 0.00 0.42 0.00 0.00 41.96 39.49 1udl s TYR 43 CO 0.30 0.19 0.03 0.00 0.64 0.00 0.00 175.55 176.71 1udl s ALA 44 N 0.50 2.18 0.08 3.97 0.00 -1.26 0.55 121.76 127.78 1udl s ALA 44 Ca 0.30 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 1udl s ALA 44 Cb -0.16 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 1udl s ALA 44 CO 0.14 -1.51 1.90 0.00 0.00 0.00 0.00 175.76 176.29 1udl s ALA 45 N 1.28 3.67 0.18 0.00 0.00 -1.19 -4.84 121.76 120.86 1udl s ALA 45 Ca 0.05 1.38 0.34 0.00 0.00 0.00 0.00 51.96 53.73 1udl s ALA 45 Cb -0.18 -3.81 1.71 0.00 0.00 0.00 0.00 23.12 20.84 1udl s ALA 45 CO -0.12 -1.40 2.03 -0.91 0.00 0.00 0.00 175.76 175.35 1udl h ASN 46 N 9.62 0.00 -5.11 0.00 2.35 -1.91 -3.45 115.58 117.07 1udl h ASN 46 Ca -0.48 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1udl h ASN 46 Cb 1.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 1udl h ASN 46 CO 0.94 0.00 0.15 0.54 -1.65 0.00 0.00 177.43 177.41 1udl s ASN 47 N -4.84 0.09 0.47 5.81 6.03 -1.26 -5.03 114.94 116.21 1udl s ASN 47 Ca -0.02 -1.07 0.13 0.00 -1.03 0.00 0.00 52.86 50.87 1udl s ASN 47 Cb 0.10 0.77 1.09 0.00 -3.03 0.00 0.00 41.25 40.18 1udl s ASN 47 CO 0.38 -1.50 2.07 1.05 -2.03 0.00 0.00 177.10 177.07 1udl h GLU 48 N 2.04 0.26 -0.88 3.55 4.11 -2.02 -1.56 114.58 120.09 1udl h GLU 48 Ca -0.28 -0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.29 1udl h GLU 48 Cb 1.25 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1udl h GLU 48 CO 0.36 0.17 0.57 0.22 0.07 0.00 0.00 179.01 180.40 1udl h ASP 49 N 0.27 0.58 -1.48 3.06 1.82 -1.96 -3.42 116.42 115.29 1udl h ASP 49 Ca 0.13 0.04 -0.45 0.00 -0.39 0.00 0.00 57.03 56.35 1udl h ASP 49 Cb 0.17 -0.07 0.03 0.00 0.68 0.00 0.00 39.33 40.14 1udl h ASP 49 CO -0.03 0.28 -0.12 -1.61 -1.61 0.00 0.00 179.24 176.15 1udl s GLU 50 N -5.61 2.46 -0.11 0.28 2.02 -0.59 -3.51 118.70 113.65 1udl s GLU 50 Ca -0.09 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.59 1udl s GLU 50 Cb 0.22 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 1udl s GLU 50 CO 0.79 -0.69 -0.06 -1.17 0.02 0.00 0.00 175.26 174.15 1udl s LEU 51 N -4.62 3.18 -0.26 1.80 0.20 -1.03 -4.45 118.68 113.50 1udl s LEU 51 Ca 0.59 -0.09 -0.07 0.00 0.69 0.00 0.00 54.13 55.25 1udl s LEU 51 Cb -0.08 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1udl s LEU 51 CO 0.37 0.26 0.07 -0.44 -0.29 0.00 0.00 176.35 176.32 1udl s SER 52 N -0.18 5.07 0.25 3.68 0.01 -1.26 -3.16 113.70 118.12 1udl s SER 52 Ca 0.03 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.94 1udl s SER 52 Cb -0.13 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1udl s SER 52 CO 0.03 -0.07 0.28 0.72 0.41 0.00 0.00 173.24 174.61 1udl s PHE 53 N 1.58 1.05 0.26 2.43 -0.12 0.19 -4.90 117.98 118.49 1udl s PHE 53 Ca 0.06 -1.26 0.10 0.00 -0.05 0.00 0.00 56.93 55.77 1udl s PHE 53 Cb -0.15 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 1udl s PHE 53 CO 0.03 -0.83 -0.03 -1.54 -0.05 0.00 0.00 175.22 172.79 1udl s SER 54 N -3.17 4.40 -0.26 1.98 1.04 -1.26 -0.78 113.70 115.65 1udl s SER 54 Ca 0.34 -0.69 -0.36 0.00 0.48 0.00 0.00 55.95 55.72 1udl s SER 54 Cb 0.03 -0.77 -0.12 0.00 0.10 0.00 0.00 66.02 65.27 1udl s SER 54 CO 0.15 0.01 2.01 1.17 0.98 0.00 0.00 173.24 177.56 1udl n LYS 55 N -0.82 1.42 -0.56 4.02 4.81 -1.26 -0.92 118.16 124.86 1udl n LYS 55 Ca -0.06 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1udl n LYS 55 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.18 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 5.40 1.19 3.89 3.14 0.00 -0.79 -4.95 105.19 113.06 1udl n GLY 56 Ca 0.32 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 2.80 -0.51 1.61 2.00 -0.10 -4.83 119.66 119.11 1udl s GLN 57 Ca 0.00 0.42 -0.24 0.00 -2.00 0.00 0.00 55.36 53.54 1udl s GLN 57 Cb 0.00 -2.02 0.04 0.00 0.80 0.00 0.00 33.01 31.82 1udl s GLN 57 CO 0.00 -1.06 0.92 -1.17 -0.50 0.00 0.00 175.29 173.48 1udl s LEU 58 N -5.36 4.09 -0.05 3.68 2.96 -1.26 -3.89 118.68 118.85 1udl s LEU 58 Ca 0.58 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1udl s LEU 58 Cb -0.11 -2.96 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 1udl s LEU 58 CO 0.51 -1.14 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.59 1udl s ILE 59 N 3.81 1.53 -0.38 6.68 1.01 -1.24 -3.88 121.20 128.72 1udl s ILE 59 Ca 0.32 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1udl s ILE 59 Cb -0.12 -1.31 0.11 0.00 0.01 0.00 0.00 42.46 41.15 1udl s ILE 59 CO 0.22 0.44 0.12 0.20 0.00 0.00 0.00 174.94 175.91 1udl s ASN 60 N 0.01 4.47 -0.11 3.58 -0.87 -1.19 -2.16 114.94 118.67 1udl s ASN 60 Ca -0.04 -2.31 -0.32 0.00 -1.57 0.00 0.00 52.86 48.63 1udl s ASN 60 Cb -0.12 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.25 39.55 1udl s ASN 60 CO 0.02 -0.34 2.03 0.52 -2.57 0.00 0.00 177.10 176.76 1udl n VAL 61 N 4.03 0.54 -0.13 1.60 0.31 0.20 -3.47 118.33 121.42 1udl n VAL 61 Ca 0.04 -0.22 -0.18 0.00 -0.01 0.00 0.00 64.34 63.97 1udl n VAL 61 Cb 0.39 -2.15 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 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 7.59 0.65 -3.68 5.55 2.81 0.79 0.39 117.12 131.22 1udl n MET 62 Ca 0.26 0.14 -0.29 0.00 -1.81 0.00 0.00 57.70 56.00 1udl n MET 62 Cb 0.36 -1.52 -0.15 0.00 -0.71 0.00 0.00 33.22 31.20 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 -6.46 3.60 -0.39 7.83 3.84 -1.24 -3.89 114.94 118.23 1udl s ASN 63 Ca -0.34 -1.33 0.05 0.00 0.21 0.00 0.00 52.86 51.46 1udl s ASN 63 Cb 0.09 -0.64 0.50 0.00 -0.55 0.00 0.00 41.25 40.65 1udl s ASN 63 CO 0.61 -0.40 1.58 2.29 -2.79 0.00 0.00 177.10 178.39 1udl n LYS 64 N 5.02 2.48 -0.33 0.43 2.85 -1.26 -3.00 118.16 124.35 1udl n LYS 64 Ca -0.05 -3.43 0.12 0.00 -1.05 0.00 0.00 58.31 53.90 1udl n LYS 64 Cb 0.43 -2.07 0.33 0.00 -0.65 0.00 0.00 35.03 33.07 1udl n LYS 64 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1udl h ASP 65 N 1.50 0.77 -3.73 -5.58 5.19 -1.94 -3.38 116.42 109.24 1udl h ASP 65 Ca 0.39 0.07 -0.63 0.00 -0.62 0.00 0.00 57.03 56.24 1udl h ASP 65 Cb 1.58 -0.08 -0.15 0.00 0.18 0.00 0.00 39.33 40.86 1udl h ASP 65 CO 0.82 0.33 -0.43 -1.81 -3.12 0.00 0.00 179.24 175.03 1udl s ASP 66 N -5.57 6.13 0.00 6.45 1.01 -1.26 -4.95 116.67 118.49 1udl s ASP 66 Ca -0.11 0.13 0.12 0.00 0.71 0.00 0.00 52.55 53.41 1udl s ASP 66 Cb 0.24 -2.14 0.73 0.00 1.01 0.00 0.00 42.92 42.75 1udl s ASP 66 CO 0.80 -0.05 1.16 -0.81 0.21 0.00 0.00 175.17 176.48 1udl n PRO 67 N 4.84 0.49 -0.14 8.23 -0.04 -1.26 -2.89 135.00 144.23 1udl n PRO 67 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 1udl n PRO 67 Cb 0.52 -1.39 -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 -0.89 1.97 -4.11 3.54 8.00 -1.26 -4.74 116.55 119.05 1udl n ASP 68 Ca 0.09 0.17 -0.20 0.00 0.71 0.00 0.00 54.79 55.56 1udl n ASP 68 Cb 0.04 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 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 -2.51 1.16 0.25 1.24 0.52 -1.14 -1.13 118.94 117.33 1udl s TRP 69 Ca -0.37 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 55.52 1udl s TRP 69 Cb 0.13 -0.71 -0.05 0.00 -1.15 0.00 0.00 33.47 31.68 1udl s TRP 69 CO 0.53 0.01 -0.10 -1.58 0.02 0.00 0.00 176.95 175.83 1udl s TRP 70 N -0.64 1.88 -0.13 -1.98 0.51 0.41 -4.22 118.94 114.77 1udl s TRP 70 Ca 0.03 -0.63 0.02 0.00 -2.12 0.00 0.00 56.10 53.40 1udl s TRP 70 Cb -0.07 -0.99 0.00 0.00 -0.81 0.00 0.00 33.47 31.61 1udl s TRP 70 CO 0.01 0.33 -0.20 -1.14 -0.51 0.00 0.00 176.95 175.43 1udl s GLN 71 N -3.69 3.11 0.31 4.98 0.74 -1.16 -2.69 119.66 121.26 1udl s GLN 71 Ca 0.27 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.91 1udl s GLN 71 Cb 0.02 -2.44 -0.03 0.00 1.10 0.00 0.00 33.01 31.65 1udl s GLN 71 CO 0.10 0.09 0.23 0.20 -0.55 0.00 0.00 175.29 175.36 1udl s GLY 72 N 0.58 2.18 0.20 2.59 0.00 -1.26 -0.15 107.32 111.47 1udl s GLY 72 Ca -0.12 -1.90 0.10 0.00 0.00 0.00 0.00 44.72 42.80 1udl s GLY 72 CO 0.03 -1.51 -0.19 -1.83 0.00 0.00 0.00 173.10 169.60 1udl s GLU 73 N -3.63 1.43 -0.26 2.90 -1.05 -1.23 -3.51 118.70 113.35 1udl s GLU 73 Ca 0.38 -1.54 -0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1udl s GLU 73 Cb 0.03 -1.51 0.14 0.00 -0.44 0.00 0.00 34.13 32.35 1udl s GLU 73 CO 0.23 0.30 0.36 0.42 0.95 0.00 0.00 175.26 177.52 1udl s ILE 74 N -2.21 -0.56 -1.24 1.83 1.01 0.13 -3.18 121.20 116.98 1udl s ILE 74 Ca 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1udl s ILE 74 Cb -0.05 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1udl s ILE 74 CO 0.09 -0.24 1.00 0.59 0.00 0.00 0.00 174.94 176.38 1udl n ASN 75 N 5.35 -2.57 0.00 3.58 3.02 -1.26 -1.53 115.26 121.84 1udl n ASN 75 Ca -0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1udl n ASN 75 Cb 0.49 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 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 -1.29 0.46 3.77 7.41 0.00 -1.26 -5.01 105.19 109.27 1udl n GLY 76 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.09 4.53 0.07 1.61 0.11 -0.58 -5.13 120.40 118.91 1udl s VAL 77 Ca 0.00 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1udl s VAL 77 Cb 0.00 -3.17 -0.03 0.00 -1.53 0.00 0.00 36.38 31.65 1udl s VAL 77 CO 0.00 0.14 -0.12 0.42 -3.33 0.00 0.00 175.10 172.21 1udl s THR 78 N -1.37 0.97 0.00 5.04 -4.23 -1.26 0.18 115.64 114.97 1udl s THR 78 Ca 0.29 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1udl s THR 78 Cb -0.12 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1udl s THR 78 CO 0.21 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1udl n GLY 79 N 1.26 2.14 3.06 3.99 0.00 -1.23 -4.84 105.19 109.57 1udl n GLY 79 Ca -0.21 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 1.82 0.05 0.99 1.43 -1.23 -4.22 118.68 117.52 1udl s LEU 80 Ca 0.00 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1udl s LEU 80 Cb 0.00 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1udl s LEU 80 CO 0.00 0.10 0.38 0.72 0.23 0.00 0.00 176.35 177.78 1udl s PHE 81 N 0.19 -0.21 0.43 0.29 -0.12 -1.10 -2.45 117.98 115.01 1udl s PHE 81 Ca -0.05 0.14 -0.24 0.00 -0.05 0.00 0.00 56.93 56.73 1udl s PHE 81 Cb -0.11 0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 42.38 1udl s PHE 81 CO 0.02 -0.55 1.18 -1.25 -0.05 0.00 0.00 175.22 174.56 1udl s PRO 82 N -2.52 3.91 0.00 1.99 0.04 -1.26 -0.44 135.00 136.71 1udl s PRO 82 Ca -0.05 1.83 0.10 0.00 0.04 0.00 0.00 61.00 62.93 1udl s PRO 82 Cb -0.01 -2.56 0.62 0.00 0.04 0.00 0.00 34.50 32.60 1udl s PRO 82 CO -0.03 -0.44 1.23 -1.13 0.04 0.00 0.00 177.00 176.67 1udl n SER 83 N -0.19 0.00 -0.00 6.66 3.41 -0.28 -2.39 113.62 120.83 1udl n SER 83 Ca 0.06 -1.25 0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1udl n SER 83 Cb 0.47 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.71 0.82 -1.82 4.04 3.02 -1.26 -4.23 115.26 115.13 1udl n ASN 84 Ca 0.08 -0.79 0.01 0.00 -0.03 0.00 0.00 54.58 53.85 1udl n ASN 84 Cb 0.04 1.18 0.32 0.00 -0.61 0.00 0.00 39.78 40.71 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 -1.61 2.04 -3.73 3.10 4.02 -1.01 -4.91 117.16 115.07 1udl n TYR 85 Ca 0.02 -0.85 -0.14 0.00 -0.01 0.00 0.00 57.90 56.92 1udl n TYR 85 Cb 0.35 -0.55 -0.08 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.65 0.05 -0.00 -0.72 -7.23 -1.26 -1.66 120.40 106.93 1udl s VAL 86 Ca 0.49 -0.40 0.06 0.00 -1.81 0.00 0.00 61.98 60.33 1udl s VAL 86 Cb 0.38 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1udl s VAL 86 CO 0.13 -0.22 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.75 1udl s LYS 87 N -1.28 1.58 -0.04 4.82 2.20 -0.17 -4.90 119.74 121.95 1udl s LYS 87 Ca -0.13 -0.77 -0.32 0.00 -0.36 0.00 0.00 55.97 54.39 1udl s LYS 87 Cb -0.04 -1.56 -0.11 0.00 -1.51 0.00 0.00 37.83 34.61 1udl s LYS 87 CO 0.05 0.42 1.93 -1.33 -0.36 0.00 0.00 175.35 176.06 1udl n MET 88 N 2.42 2.46 -0.09 4.03 2.81 -1.26 -1.68 117.12 125.81 1udl n MET 88 Ca -0.16 0.90 -0.13 0.00 -1.81 0.00 0.00 57.70 56.50 1udl n MET 88 Cb 0.53 -2.80 -0.05 0.00 -0.71 0.00 0.00 33.22 30.20 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 5.56 1.31 -4.20 2.03 1.35 -1.87 -3.47 112.91 113.61 1udl h THR 89 Ca -0.49 -1.48 -0.26 0.00 -0.55 0.00 0.00 66.41 63.63 1udl h THR 89 Cb 1.26 1.64 0.09 0.00 -1.73 0.00 0.00 68.15 69.41 1udl h THR 89 CO 0.95 0.47 -0.45 0.41 -0.25 0.00 0.00 175.52 176.65 1udl n THR 90 N -4.27 -1.98 -3.42 6.82 -1.04 -1.26 -5.00 114.28 104.14 1udl n THR 90 Ca -0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 1udl n THR 90 Cb 0.48 -3.15 -0.07 0.00 -1.82 0.00 0.00 70.33 65.77 1udl n THR 90 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1udl s ASP 91 N -3.21 6.48 -0.23 8.00 -1.08 -1.26 -5.04 116.67 120.33 1udl s ASP 91 Ca 0.39 0.56 -0.29 0.00 -0.52 0.00 0.00 52.55 52.69 1udl s ASP 91 Cb -0.17 -2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 1udl s ASP 91 CO 0.48 -0.01 1.44 -0.55 0.52 0.00 0.00 175.17 177.05 1udl s SER 92 N 0.81 6.60 -0.33 -0.34 0.15 -1.26 -4.98 113.70 114.34 1udl s SER 92 Ca 0.19 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.36 1udl s SER 92 Cb -0.14 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.71 1udl s SER 92 CO 0.07 -1.09 0.05 -0.44 1.20 0.00 0.00 173.24 173.03 1udl s SER 93 N 3.27 4.88 0.00 5.45 0.01 -1.26 -5.06 113.70 121.00 1udl s SER 93 Ca 0.63 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1udl s SER 93 Cb -0.22 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1udl s SER 93 CO 0.25 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1udl n GLY 94 N 4.48 5.47 3.76 3.44 0.00 -1.26 -5.13 105.19 115.95 1udl n GLY 94 Ca -0.06 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 2.54 4.45 -0.39 1.61 0.04 -1.26 -5.01 135.00 136.97 1udl s PRO 95 Ca 0.00 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1udl s PRO 95 Cb 0.00 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.50 1udl s PRO 95 CO 0.00 -0.09 0.17 0.45 0.04 0.00 0.00 177.00 177.57 1udl s SER 96 N -0.38 5.22 0.25 6.66 0.15 -1.26 -5.08 113.70 119.26 1udl s SER 96 Ca 0.50 -1.85 -0.30 0.00 0.70 0.00 0.00 55.95 55.00 1udl s SER 96 Cb -0.37 -1.82 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1udl s SER 96 CO 0.46 -0.49 1.25 -0.55 1.20 0.00 0.00 173.24 175.10 1udl s SER 97 N 1.74 6.97 0.00 5.45 0.15 -1.26 -5.35 113.70 121.39 1udl s SER 97 Ca 0.05 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1udl s SER 97 Cb -0.22 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1udl s SER 97 CO -0.03 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.60