#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 3.47 -1.71 1.61 1.04 -1.26 -4.78 113.70 112.07 1udl s SER 2 Ca 0.00 -1.57 -0.15 0.00 0.48 0.00 0.00 55.95 54.71 1udl s SER 2 Cb 0.00 0.26 0.14 0.00 0.10 0.00 0.00 66.02 66.52 1udl s SER 2 CO 0.00 -0.77 0.54 -1.20 0.98 0.00 0.00 173.24 172.80 1udl n SER 3 N -1.14 -1.71 -3.36 7.02 7.64 -1.26 -2.31 113.62 118.51 1udl n SER 3 Ca -0.11 -1.14 -0.21 0.00 1.01 0.00 0.00 58.87 58.43 1udl n SER 3 Cb 0.66 -2.20 0.01 0.00 -1.01 0.00 0.00 64.21 61.68 1udl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1udl n GLY 4 N -1.56 -0.84 3.77 0.23 0.00 -1.26 -4.92 105.19 100.60 1udl n GLY 4 Ca -0.03 0.90 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.44 5.00 0.41 1.61 0.01 -0.98 -4.98 113.70 112.33 1udl s SER 5 Ca 0.17 1.94 -0.26 0.00 1.31 0.00 0.00 55.95 59.11 1udl s SER 5 Cb -0.03 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1udl s SER 5 CO 0.84 -1.70 1.28 -0.55 0.41 0.00 0.00 173.24 173.52 1udl s SER 6 N -2.82 6.31 0.00 2.44 0.15 -1.26 -5.03 113.70 113.50 1udl s SER 6 Ca 0.65 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.91 1udl s SER 6 Cb -0.19 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1udl s SER 6 CO 0.45 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1udl n GLY 7 N 0.66 -0.89 3.01 9.45 0.00 -1.26 -4.94 105.19 111.23 1udl n GLY 7 Ca 0.04 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 1.55 -0.59 1.61 -0.21 -1.26 -5.03 119.66 115.73 1udl s GLN 8 Ca 0.00 -1.97 0.04 0.00 0.02 0.00 0.00 55.36 53.46 1udl s GLN 8 Cb 0.00 -3.23 0.15 0.00 1.00 0.00 0.00 33.01 30.93 1udl s GLN 8 CO 0.00 -0.96 0.36 0.15 -2.12 0.00 0.00 175.29 172.72 1udl s LYS 9 N 0.77 2.09 -0.34 2.91 1.02 -1.26 -5.00 119.74 119.93 1udl s LYS 9 Ca 0.12 -2.87 0.05 0.00 0.02 0.00 0.00 55.97 53.28 1udl s LYS 9 Cb -0.20 -3.21 0.19 0.00 -0.52 0.00 0.00 37.83 34.09 1udl s LYS 9 CO -0.07 -1.20 0.66 0.20 -0.92 0.00 0.00 175.35 174.02 1udl s GLY 10 N -0.74 -1.26 -0.51 -3.33 0.00 -1.26 -5.11 107.32 95.11 1udl s GLY 10 Ca 0.21 0.77 -0.28 0.00 0.00 0.00 0.00 44.72 45.42 1udl s GLY 10 CO -0.08 3.74 1.56 0.86 0.00 0.00 0.00 173.10 179.18 1udl s TRP 11 N 2.37 2.11 -0.34 1.90 -0.11 -1.26 -4.95 118.94 118.65 1udl s TRP 11 Ca 0.14 0.59 0.02 0.00 1.22 0.00 0.00 56.10 58.06 1udl s TRP 11 Cb -0.06 -4.28 0.10 0.00 -1.50 0.00 0.00 33.47 27.73 1udl s TRP 11 CO -0.17 -2.21 0.09 -0.06 -4.62 0.00 0.00 176.95 169.98 1udl s PHE 12 N 6.64 2.63 0.85 5.86 0.08 -1.26 -5.12 117.98 127.66 1udl s PHE 12 Ca 0.61 -2.36 -0.11 0.00 0.12 0.00 0.00 56.93 55.19 1udl s PHE 12 Cb -0.14 -2.27 0.10 0.00 -0.57 0.00 0.00 43.02 40.15 1udl s PHE 12 CO 0.27 -0.90 1.09 -1.25 -0.10 0.00 0.00 175.22 174.33 1udl s PRO 13 N 1.17 1.66 -0.51 0.24 0.04 -1.26 -5.03 135.00 131.30 1udl s PRO 13 Ca 0.11 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.15 1udl s PRO 13 Cb -0.19 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.65 1udl s PRO 13 CO -0.16 -2.00 0.30 0.00 0.04 0.00 0.00 177.00 175.18 1udl s ALA 14 N -2.92 2.82 -0.44 8.56 0.00 -1.26 -5.06 121.76 123.46 1udl s ALA 14 Ca 0.62 -3.05 -0.07 0.00 0.00 0.00 0.00 51.96 49.46 1udl s ALA 14 Cb -0.18 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.03 1udl s ALA 14 CO 0.57 -2.05 0.27 -1.54 0.00 0.00 0.00 175.76 173.01 1udl s SER 15 N -0.23 5.52 -0.07 0.00 1.04 -1.26 -5.07 113.70 113.63 1udl s SER 15 Ca 0.20 -1.86 0.03 0.00 0.48 0.00 0.00 55.95 54.80 1udl s SER 15 Cb -0.19 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1udl s SER 15 CO -0.04 -0.60 -0.15 -2.28 0.98 0.00 0.00 173.24 171.14 1udl s HIS 16 N 1.30 2.69 -0.40 5.02 2.46 -1.26 -5.09 115.29 120.00 1udl s HIS 16 Ca 0.06 -0.31 0.04 0.00 0.47 0.00 0.00 55.06 55.31 1udl s HIS 16 Cb -0.24 -1.67 0.11 0.00 -0.13 0.00 0.00 32.58 30.65 1udl s HIS 16 CO -0.01 0.06 0.13 0.14 -2.47 0.00 0.00 174.74 172.59 1udl s VAL 17 N -0.46 2.45 -0.54 0.89 -7.23 -1.26 -4.94 120.40 109.30 1udl s VAL 17 Ca 0.06 -2.64 0.08 0.00 -1.81 0.00 0.00 61.98 57.67 1udl s VAL 17 Cb -0.12 -2.76 0.08 0.00 0.56 0.00 0.00 36.38 34.14 1udl s VAL 17 CO 0.02 -0.67 1.20 1.17 -0.31 0.00 0.00 175.10 176.51 1udl n LYS 18 N 3.91 0.05 -3.35 4.82 3.00 -1.26 -4.45 118.16 120.88 1udl n LYS 18 Ca 0.04 0.51 -0.38 0.00 -0.00 0.00 0.00 58.31 58.48 1udl n LYS 18 Cb 0.39 -1.76 -0.07 0.00 0.00 0.00 0.00 35.03 33.59 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 -3.53 4.20 0.02 3.14 1.98 -1.26 -5.07 118.68 118.16 1udl s LEU 19 Ca -0.01 0.63 0.02 0.00 -2.89 0.00 0.00 54.13 51.89 1udl s LEU 19 Cb 0.02 -2.59 -0.01 0.00 0.66 0.00 0.00 46.19 44.27 1udl s LEU 19 CO 0.07 -0.06 -0.07 -0.76 -1.89 0.00 0.00 176.35 173.64 1udl s LEU 20 N 1.09 2.12 0.00 -0.68 1.43 -1.26 -4.84 118.68 116.54 1udl s LEU 20 Ca 0.22 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1udl s LEU 20 Cb -0.15 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1udl s LEU 20 CO 0.08 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1udl n GLY 21 N 2.30 2.53 3.61 -3.19 0.00 -1.26 -5.08 105.19 104.09 1udl n GLY 21 Ca -0.17 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.44 -0.87 0.27 1.61 0.04 -1.26 -4.96 135.00 125.39 1udl s PRO 22 Ca 0.00 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.02 1udl s PRO 22 Cb 0.00 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 1udl s PRO 22 CO 0.00 -3.51 0.44 0.45 0.04 0.00 0.00 177.00 174.43 1udl s SER 23 N -3.78 0.24 0.23 6.66 0.15 -1.26 -5.04 113.70 110.89 1udl s SER 23 Ca 0.70 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.13 1udl s SER 23 Cb -0.12 0.59 0.39 0.00 -1.71 0.00 0.00 66.02 65.17 1udl s SER 23 CO 0.56 -1.17 1.25 -1.20 1.20 0.00 0.00 173.24 173.89 1udl n SER 24 N -0.71 -0.27 -4.81 5.45 7.64 -1.26 -4.13 113.62 115.53 1udl n SER 24 Ca -0.01 1.38 -0.38 0.00 1.01 0.00 0.00 58.87 60.87 1udl n SER 24 Cb 0.62 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1udl n SER 24 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1udl s GLU 25 N -5.99 3.99 -0.71 1.43 -1.05 -1.26 -4.99 118.70 110.12 1udl s GLU 25 Ca -0.12 0.39 -0.26 0.00 -0.15 0.00 0.00 54.97 54.83 1udl s GLU 25 Cb 0.22 -3.26 -0.09 0.00 -0.44 0.00 0.00 34.13 30.55 1udl s GLU 25 CO 0.62 0.59 2.27 1.03 0.95 0.00 0.00 175.26 180.73 1udl s ARG 26 N -0.75 2.00 -0.10 -4.83 0.52 -1.26 -4.88 118.95 109.65 1udl s ARG 26 Ca 0.23 0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 55.99 1udl s ARG 26 Cb -0.16 -4.74 0.04 0.00 0.52 0.00 0.00 34.95 30.61 1udl s ARG 26 CO 0.12 -3.78 0.24 0.00 0.02 0.00 0.00 175.30 171.90 1udl s ALA 27 N 12.72 -0.55 0.02 2.13 0.00 -1.26 -5.09 121.76 129.72 1udl s ALA 27 Ca 0.87 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.80 1udl s ALA 27 Cb -0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1udl s ALA 27 CO 0.12 -0.17 -0.23 -0.08 0.00 0.00 0.00 175.76 175.40 1udl s THR 28 N 0.95 1.85 -2.00 0.00 -1.32 -1.26 -4.57 115.64 109.29 1udl s THR 28 Ca -0.07 -1.16 0.09 0.00 -1.21 0.00 0.00 61.69 59.34 1udl s THR 28 Cb -0.08 -1.57 0.27 0.00 -1.51 0.00 0.00 72.50 69.60 1udl s THR 28 CO -0.06 0.37 1.00 -0.81 -2.21 0.00 0.00 174.62 172.91 1udl n PRO 29 N 2.09 0.49 0.00 7.08 -0.04 -1.26 -4.31 135.00 139.05 1udl n PRO 29 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1udl n PRO 29 Cb 0.52 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.80 0.00 -4.11 0.55 0.00 -1.26 -4.16 120.51 110.73 1udl n ALA 30 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1udl n ALA 30 Cb 0.03 0.24 -0.16 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.04 2.76 -0.14 0.00 -0.71 -1.26 -5.09 117.98 111.49 1udl s PHE 31 Ca 0.00 -1.64 -0.02 0.00 -1.04 0.00 0.00 56.93 54.22 1udl s PHE 31 Cb 0.00 -1.90 0.05 0.00 -1.21 0.00 0.00 43.02 39.96 1udl s PHE 31 CO 0.00 -0.80 0.02 -1.01 -1.34 0.00 0.00 175.22 172.09 1udl s HIS 32 N 1.30 0.82 1.08 3.49 3.76 -1.26 -5.08 115.29 119.40 1udl s HIS 32 Ca 0.05 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.27 1udl s HIS 32 Cb -0.13 -0.91 0.23 0.00 1.11 0.00 0.00 32.58 32.87 1udl s HIS 32 CO -0.13 -0.49 1.10 -1.25 -0.85 0.00 0.00 174.74 173.13 1udl s PRO 33 N 1.92 -0.20 -0.18 8.40 0.04 -1.26 -4.94 135.00 138.78 1udl s PRO 33 Ca 0.02 0.29 0.12 0.00 0.04 0.00 0.00 61.00 61.47 1udl s PRO 33 Cb -0.15 -1.68 -0.19 0.00 0.04 0.00 0.00 34.50 32.52 1udl s PRO 33 CO -0.07 -3.11 -0.01 1.33 0.04 0.00 0.00 177.00 175.19 1udl n VAL 34 N -4.40 1.17 -3.85 -0.36 0.24 0.11 -4.93 118.33 106.31 1udl n VAL 34 Ca 0.08 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 1udl n VAL 34 Cb 0.58 -0.73 0.01 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.39 1.58 0.42 0.00 0.74 -1.26 -0.82 119.66 117.92 1udl s GLN 36 Ca 0.18 -0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.36 1udl s GLN 36 Cb -0.04 -1.60 -0.06 0.00 1.10 0.00 0.00 33.01 32.41 1udl s GLN 36 CO 0.13 -0.24 0.02 0.14 -0.55 0.00 0.00 175.29 174.79 1udl s VAL 37 N 1.59 1.70 0.03 1.34 -7.23 -0.27 -2.67 120.40 114.89 1udl s VAL 37 Ca 0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1udl s VAL 37 Cb -0.13 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1udl s VAL 37 CO -0.07 0.00 -0.16 -0.51 -0.31 0.00 0.00 175.10 174.04 1udl s ILE 38 N -2.82 1.31 0.25 -0.62 2.07 -1.07 -3.16 121.20 117.15 1udl s ILE 38 Ca 0.29 -0.98 -0.30 0.00 -1.41 0.00 0.00 60.65 58.25 1udl s ILE 38 Cb 0.08 -1.15 -0.11 0.00 0.13 0.00 0.00 42.46 41.42 1udl s ILE 38 CO 0.15 0.15 1.53 0.00 -1.91 0.00 0.00 174.94 174.85 1udl s ALA 39 N -0.71 3.70 -0.12 1.50 0.00 -1.25 -1.18 121.76 123.71 1udl s ALA 39 Ca 0.04 1.43 0.17 0.00 0.00 0.00 0.00 51.96 53.61 1udl s ALA 39 Cb -0.08 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.26 1udl s ALA 39 CO 0.01 -0.84 0.66 -1.33 0.00 0.00 0.00 175.76 174.26 1udl n MET 40 N 2.58 0.64 -3.76 0.00 2.81 0.79 -2.54 117.12 117.63 1udl n MET 40 Ca 0.09 0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 56.01 1udl n MET 40 Cb 0.39 -1.74 -0.11 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.88 -0.36 -0.76 2.03 2.02 -1.26 -4.92 117.35 111.23 1udl s TYR 41 Ca -0.05 0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 57.23 1udl s TYR 41 Cb 0.09 0.12 -0.16 0.00 -0.40 0.00 0.00 41.96 41.61 1udl s TYR 41 CO 0.82 -0.18 2.54 -0.40 -1.57 0.00 0.00 175.55 176.77 1udl n ASP 42 N 2.99 1.15 -4.75 2.29 5.68 -1.26 -4.32 116.55 118.32 1udl n ASP 42 Ca -0.14 -0.03 -0.39 0.00 -0.50 0.00 0.00 54.79 53.74 1udl n ASP 42 Cb 0.58 -1.18 -0.06 0.00 -1.14 0.00 0.00 41.12 39.32 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 9.90 3.64 -0.26 2.11 6.14 0.44 -4.85 117.35 134.47 1udl s TYR 43 Ca 1.20 1.16 0.03 0.00 0.64 0.00 0.00 57.07 60.10 1udl s TYR 43 Cb -0.86 -2.62 0.06 0.00 0.42 0.00 0.00 41.96 38.96 1udl s TYR 43 CO 0.42 0.29 -0.09 0.00 0.64 0.00 0.00 175.55 176.81 1udl s ALA 44 N 0.06 2.53 -0.23 3.97 0.00 -1.26 -0.65 121.76 126.17 1udl s ALA 44 Ca 0.31 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.19 1udl s ALA 44 Cb -0.18 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1udl s ALA 44 CO 0.16 -1.25 1.72 0.00 0.00 0.00 0.00 175.76 176.40 1udl s ALA 45 N 1.12 3.15 0.46 0.00 0.00 -1.25 -4.85 121.76 120.39 1udl s ALA 45 Ca -0.07 0.49 0.41 0.00 0.00 0.00 0.00 51.96 52.79 1udl s ALA 45 Cb -0.20 -3.91 2.06 0.00 0.00 0.00 0.00 23.12 21.07 1udl s ALA 45 CO -0.06 -2.16 2.24 -2.95 0.00 0.00 0.00 175.76 172.83 1udl h ASN 46 N 11.55 0.00 -3.23 0.00 -0.00 -1.94 -3.45 115.58 118.51 1udl h ASN 46 Ca -0.35 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 55.74 1udl h ASN 46 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.44 1udl h ASN 46 CO 1.00 0.00 -0.16 0.59 -0.00 0.00 0.00 177.43 178.87 1udl n ASN 47 N -3.08 -0.64 0.17 6.14 3.02 -1.26 -5.04 115.26 114.57 1udl n ASN 47 Ca -0.02 -2.15 0.05 0.00 -0.03 0.00 0.00 54.58 52.43 1udl n ASN 47 Cb 0.15 1.26 0.22 0.00 -0.61 0.00 0.00 39.78 40.81 1udl n ASN 47 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1udl h GLU 48 N 0.00 0.00 -0.88 3.52 4.39 -2.04 -3.19 114.58 116.38 1udl h GLU 48 Ca -0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1udl h GLU 48 Cb 0.68 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1udl h GLU 48 CO 0.21 0.40 0.53 0.22 -1.16 0.00 0.00 179.01 179.21 1udl h ASP 49 N 0.00 1.06 -3.37 1.42 3.58 -1.96 -3.44 116.42 113.72 1udl h ASP 49 Ca -0.00 -0.07 -0.45 0.00 0.42 0.00 0.00 57.03 56.92 1udl h ASP 49 Cb 1.09 -0.27 0.08 0.00 1.72 0.00 0.00 39.33 41.95 1udl h ASP 49 CO 0.05 0.82 0.18 -1.61 -2.88 0.00 0.00 179.24 175.81 1udl s GLU 50 N -5.95 2.09 -0.19 0.28 2.02 -1.21 -3.43 118.70 112.31 1udl s GLU 50 Ca -0.13 -0.46 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 1udl s GLU 50 Cb 0.16 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 1udl s GLU 50 CO 0.81 -1.25 -0.03 -1.17 0.02 0.00 0.00 175.26 173.64 1udl s LEU 51 N -5.19 3.11 -0.33 1.80 0.20 -1.08 -4.56 118.68 112.62 1udl s LEU 51 Ca 0.61 -0.25 -0.14 0.00 0.69 0.00 0.00 54.13 55.04 1udl s LEU 51 Cb -0.10 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 1udl s LEU 51 CO 0.44 0.08 0.33 -0.94 -0.29 0.00 0.00 176.35 175.97 1udl s SER 52 N 0.91 6.15 0.13 3.68 1.04 -1.26 -3.97 113.70 120.39 1udl s SER 52 Ca -0.00 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 1udl s SER 52 Cb -0.15 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 1udl s SER 52 CO 0.01 -0.29 0.09 0.72 0.98 0.00 0.00 173.24 174.76 1udl s PHE 53 N 1.95 0.77 -0.04 5.02 -0.12 0.17 -4.88 117.98 120.85 1udl s PHE 53 Ca 0.11 -1.15 0.03 0.00 -0.05 0.00 0.00 56.93 55.87 1udl s PHE 53 Cb -0.17 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1udl s PHE 53 CO 0.11 -0.55 -0.10 -1.12 -0.05 0.00 0.00 175.22 173.51 1udl s SER 54 N -3.03 4.41 -0.14 1.98 0.01 -1.26 -0.42 113.70 115.25 1udl s SER 54 Ca 0.22 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 1udl s SER 54 Cb 0.07 -1.02 -0.14 0.00 0.21 0.00 0.00 66.02 65.14 1udl s SER 54 CO 0.01 0.33 0.89 1.17 0.41 0.00 0.00 173.24 176.05 1udl n LYS 55 N 2.03 0.00 -0.56 12.44 4.81 -1.26 -0.72 118.16 134.90 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 0.53 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.53 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 1.72 0.66 3.84 3.14 0.00 -1.05 -4.93 105.19 108.58 1udl n GLY 56 Ca 0.17 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.99 3.31 -0.59 1.61 2.00 0.11 -4.84 119.66 120.26 1udl s GLN 57 Ca 0.00 0.90 -0.25 0.00 -2.00 0.00 0.00 55.36 54.01 1udl s GLN 57 Cb 0.00 -2.04 0.04 0.00 0.80 0.00 0.00 33.01 31.81 1udl s GLN 57 CO 0.00 -0.80 1.01 -1.17 -0.50 0.00 0.00 175.29 173.83 1udl s LEU 58 N -5.18 3.96 -0.06 3.68 2.96 -1.26 -3.78 118.68 118.99 1udl s LEU 58 Ca 0.57 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1udl s LEU 58 Cb -0.13 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 1udl s LEU 58 CO 0.51 -1.35 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.36 1udl s ILE 59 N 4.27 1.67 -0.33 6.68 1.01 -1.19 -3.97 121.20 129.34 1udl s ILE 59 Ca 0.32 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1udl s ILE 59 Cb -0.12 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.01 1udl s ILE 59 CO 0.19 0.47 0.03 0.20 0.00 0.00 0.00 174.94 175.83 1udl s ASN 60 N 0.12 4.68 -0.01 3.58 -0.87 -1.21 -1.11 114.94 120.12 1udl s ASN 60 Ca -0.08 -2.02 -0.33 0.00 -1.57 0.00 0.00 52.86 48.86 1udl s ASN 60 Cb -0.14 -1.58 -0.11 0.00 -0.02 0.00 0.00 41.25 39.40 1udl s ASN 60 CO 0.04 -0.35 1.86 0.52 -2.57 0.00 0.00 177.10 176.60 1udl n VAL 61 N 4.31 0.53 -0.06 1.60 0.31 -0.00 -3.59 118.33 121.42 1udl n VAL 61 Ca 0.01 -0.10 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 1udl n VAL 61 Cb 0.42 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 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 6.35 1.79 -3.48 5.55 0.00 0.93 0.07 117.12 128.34 1udl n MET 62 Ca 0.21 0.02 -0.20 0.00 0.00 0.00 0.00 57.70 57.72 1udl n MET 62 Cb 0.33 -1.27 -0.12 0.00 0.00 0.00 0.00 33.22 32.15 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 -4.56 1.92 -0.29 7.83 2.47 -1.23 -4.20 114.94 116.88 1udl s ASN 63 Ca -0.08 -0.61 0.08 0.00 0.42 0.00 0.00 52.86 52.66 1udl s ASN 63 Cb 0.04 0.25 0.45 0.00 -1.45 0.00 0.00 41.25 40.54 1udl s ASN 63 CO 0.41 -0.37 1.25 2.29 -3.72 0.00 0.00 177.10 176.96 1udl n LYS 64 N 5.30 3.03 -0.21 0.43 2.85 -1.26 -1.91 118.16 126.39 1udl n LYS 64 Ca -0.05 -3.89 0.20 0.00 -1.05 0.00 0.00 58.31 53.52 1udl n LYS 64 Cb 0.47 -2.11 0.55 0.00 -0.65 0.00 0.00 35.03 33.29 1udl n LYS 64 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1udl h ASP 65 N 1.85 0.32 -3.52 -5.58 3.58 -1.95 -3.38 116.42 107.75 1udl h ASP 65 Ca 0.29 0.03 -0.64 0.00 0.42 0.00 0.00 57.03 57.14 1udl h ASP 65 Cb 1.39 -0.03 -0.20 0.00 1.72 0.00 0.00 39.33 42.22 1udl h ASP 65 CO 0.61 0.14 -0.60 -1.81 -2.88 0.00 0.00 179.24 174.70 1udl s ASP 66 N -5.71 5.37 0.00 2.28 1.01 -1.26 -4.96 116.67 113.39 1udl s ASP 66 Ca -0.07 -0.08 0.09 0.00 0.71 0.00 0.00 52.55 53.20 1udl s ASP 66 Cb 0.22 -1.95 0.56 0.00 1.01 0.00 0.00 42.92 42.77 1udl s ASP 66 CO 0.78 0.05 1.00 -0.81 0.21 0.00 0.00 175.17 176.40 1udl n PRO 67 N 4.34 0.49 -0.13 8.23 -0.04 -1.26 -2.90 135.00 143.73 1udl n PRO 67 Ca -0.16 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 1udl n PRO 67 Cb 0.52 -1.30 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.80 1.96 -3.93 3.54 9.92 -1.26 -4.65 116.55 121.32 1udl n ASP 68 Ca 0.07 0.25 -0.18 0.00 -0.53 0.00 0.00 54.79 54.40 1udl n ASP 68 Cb 0.03 -0.76 -0.15 0.00 -0.64 0.00 0.00 41.12 39.60 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 0.62 0.38 1.24 0.52 -1.14 -1.16 118.94 116.90 1udl s TRP 69 Ca -0.36 -0.14 0.08 0.00 0.02 0.00 0.00 56.10 55.70 1udl s TRP 69 Cb 0.12 -0.49 -0.05 0.00 -1.15 0.00 0.00 33.47 31.90 1udl s TRP 69 CO 0.54 -0.09 0.11 -1.58 0.02 0.00 0.00 176.95 175.95 1udl s TRP 70 N 0.38 2.60 -0.15 -1.98 0.51 0.79 -4.31 118.94 116.78 1udl s TRP 70 Ca -0.05 -0.51 0.01 0.00 -2.12 0.00 0.00 56.10 53.43 1udl s TRP 70 Cb -0.08 -1.76 -0.00 0.00 -0.81 0.00 0.00 33.47 30.82 1udl s TRP 70 CO -0.00 0.32 -0.16 -1.14 -0.51 0.00 0.00 176.95 175.45 1udl s GLN 71 N -3.83 3.20 0.27 4.98 0.74 -0.81 -2.60 119.66 121.62 1udl s GLN 71 Ca 0.38 -0.76 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1udl s GLN 71 Cb 0.02 -2.59 -0.01 0.00 1.10 0.00 0.00 33.01 31.52 1udl s GLN 71 CO 0.21 0.03 0.12 0.41 -0.55 0.00 0.00 175.29 175.52 1udl n GLY 72 N 4.01 3.45 3.09 2.59 0.00 -1.26 -0.05 105.19 117.02 1udl n GLY 72 Ca -0.19 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.05 0.62 -0.25 1.61 4.04 -1.24 -3.55 118.70 116.89 1udl s GLU 73 Ca 0.17 -1.02 -0.04 0.00 0.04 0.00 0.00 54.97 54.12 1udl s GLU 73 Cb 0.01 -0.11 0.13 0.00 0.02 0.00 0.00 34.13 34.18 1udl s GLU 73 CO 0.12 -0.02 0.44 0.42 -1.84 0.00 0.00 175.26 174.38 1udl s ILE 74 N -2.65 -0.70 -1.26 1.83 1.01 0.96 -3.35 121.20 117.05 1udl s ILE 74 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1udl s ILE 74 Cb -0.01 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1udl s ILE 74 CO -0.04 -0.05 0.94 0.59 0.00 0.00 0.00 174.94 176.39 1udl n ASN 75 N 5.39 -2.37 -0.07 3.58 3.02 -1.26 -1.31 115.26 122.24 1udl n ASN 75 Ca -0.05 -0.67 -0.01 0.00 -0.03 0.00 0.00 54.58 53.83 1udl n ASN 75 Cb 0.50 -4.81 -0.00 0.00 -0.61 0.00 0.00 39.78 34.86 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 -1.35 0.35 3.71 7.41 0.00 -1.26 -4.99 105.19 109.05 1udl n GLY 76 Ca -0.25 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.61 4.18 0.06 1.61 0.11 -0.42 -5.13 120.40 119.20 1udl s VAL 77 Ca 0.00 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.20 1udl s VAL 77 Cb 0.00 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 1udl s VAL 77 CO 0.00 0.14 -0.11 0.42 -3.33 0.00 0.00 175.10 172.22 1udl s THR 78 N -1.32 0.86 0.00 5.04 -4.23 -1.26 -0.03 115.64 114.70 1udl s THR 78 Ca 0.26 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1udl s THR 78 Cb -0.12 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1udl s THR 78 CO 0.19 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1udl n GLY 79 N 1.41 3.11 2.91 3.99 0.00 -1.23 -4.89 105.19 110.48 1udl n GLY 79 Ca -0.22 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 1.55 0.06 0.99 1.43 -1.22 -4.39 118.68 117.09 1udl s LEU 80 Ca 0.00 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1udl s LEU 80 Cb 0.00 0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.44 1udl s LEU 80 CO 0.00 -0.05 0.40 0.72 0.23 0.00 0.00 176.35 177.65 1udl s PHE 81 N 0.31 -0.23 0.42 0.29 -0.12 -1.07 -2.63 117.98 114.95 1udl s PHE 81 Ca -0.02 0.14 -0.24 0.00 -0.05 0.00 0.00 56.93 56.75 1udl s PHE 81 Cb -0.03 0.21 -0.08 0.00 -0.63 0.00 0.00 43.02 42.48 1udl s PHE 81 CO -0.01 -0.58 1.18 -1.25 -0.05 0.00 0.00 175.22 174.51 1udl s PRO 82 N -2.69 3.93 0.00 1.99 0.04 -1.26 -0.15 135.00 136.86 1udl s PRO 82 Ca -0.04 1.84 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1udl s PRO 82 Cb -0.00 -2.57 0.41 0.00 0.04 0.00 0.00 34.50 32.38 1udl s PRO 82 CO -0.04 -0.43 1.08 -1.13 0.04 0.00 0.00 177.00 176.52 1udl n SER 83 N -0.15 0.00 -0.57 6.66 3.41 -0.31 -2.33 113.62 120.33 1udl n SER 83 Ca 0.05 -1.35 0.09 0.00 -0.26 0.00 0.00 58.87 57.40 1udl n SER 83 Cb 0.47 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.64 2.14 -0.91 4.04 3.02 -1.26 -4.28 115.26 117.37 1udl n ASN 84 Ca 0.05 -1.57 0.07 0.00 -0.03 0.00 0.00 54.58 53.11 1udl n ASN 84 Cb 0.02 0.19 0.22 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.54 0.79 -3.96 3.10 4.02 -0.99 -4.94 117.16 115.72 1udl n TYR 85 Ca 0.09 -0.61 -0.11 0.00 -0.01 0.00 0.00 57.90 57.25 1udl n TYR 85 Cb 0.40 -0.13 -0.13 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.59 0.14 -0.11 -0.72 -7.23 -1.26 -0.15 120.40 109.47 1udl s VAL 86 Ca 0.34 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1udl s VAL 86 Cb 0.22 -0.21 0.02 0.00 0.56 0.00 0.00 36.38 36.97 1udl s VAL 86 CO 0.17 -0.24 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.85 1udl s LYS 87 N -0.78 1.94 -0.49 4.82 2.20 -0.32 -4.90 119.74 122.21 1udl s LYS 87 Ca -0.08 -0.44 -0.46 0.00 -0.36 0.00 0.00 55.97 54.64 1udl s LYS 87 Cb -0.05 -1.77 -0.19 0.00 -1.51 0.00 0.00 37.83 34.30 1udl s LYS 87 CO -0.00 -0.15 1.65 -1.33 -0.36 0.00 0.00 175.35 175.16 1udl n MET 88 N 4.49 0.00 -0.08 4.03 2.81 -1.26 -2.60 117.12 124.51 1udl n MET 88 Ca -0.17 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.65 1udl n MET 88 Cb 0.51 -1.47 -0.00 0.00 -0.71 0.00 0.00 33.22 31.54 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 5.20 0.48 -6.15 2.03 1.35 -1.82 -3.46 112.91 110.54 1udl h THR 89 Ca -0.38 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.02 1udl h THR 89 Cb 1.35 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1udl h THR 89 CO 0.98 0.00 -0.73 0.35 -0.25 0.00 0.00 175.52 175.86 1udl n THR 90 N -5.35 -2.15 -3.77 6.82 -2.24 -1.26 -4.94 114.28 101.40 1udl n THR 90 Ca 0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1udl n THR 90 Cb 0.26 -3.03 -0.10 0.00 -2.10 0.00 0.00 70.33 65.36 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 -3.27 5.09 -0.20 3.42 2.15 -1.26 -5.07 116.67 117.53 1udl s ASP 91 Ca 0.64 -3.08 -0.12 0.00 0.43 0.00 0.00 52.55 50.42 1udl s ASP 91 Cb -0.31 -1.80 -0.05 0.00 -0.30 0.00 0.00 42.92 40.46 1udl s ASP 91 CO 0.79 -0.29 0.24 -0.55 -0.17 0.00 0.00 175.17 175.18 1udl s SER 92 N 0.20 6.29 -0.30 -0.34 0.15 -1.26 -4.98 113.70 113.47 1udl s SER 92 Ca 0.19 0.33 0.17 0.00 0.70 0.00 0.00 55.95 57.34 1udl s SER 92 Cb -0.19 -2.15 0.48 0.00 -1.71 0.00 0.00 66.02 62.45 1udl s SER 92 CO -0.05 0.07 1.09 -1.54 1.20 0.00 0.00 173.24 174.02 1udl n SER 93 N 3.94 2.51 0.00 5.45 3.41 -1.26 -4.99 113.62 122.67 1udl n SER 93 Ca -0.13 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1udl n SER 93 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1udl n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udl n GLY 94 N -0.49 0.32 3.64 5.00 0.00 -1.26 -5.10 105.19 107.31 1udl n GLY 94 Ca 0.18 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 0.53 4.00 0.02 1.61 0.04 -1.26 -4.99 135.00 134.95 1udl s PRO 95 Ca 0.00 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1udl s PRO 95 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1udl s PRO 95 CO 0.00 -1.04 0.15 -1.54 0.04 0.00 0.00 177.00 174.61 1udl s SER 96 N 3.55 0.05 -0.24 6.66 1.04 -1.26 -5.07 113.70 118.43 1udl s SER 96 Ca 0.69 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.53 1udl s SER 96 Cb -0.27 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1udl s SER 96 CO 0.27 -0.45 1.54 -0.55 0.98 0.00 0.00 173.24 175.03 1udl s SER 97 N -1.71 6.46 0.00 7.02 0.15 -1.26 -5.26 113.70 119.10 1udl s SER 97 Ca -0.10 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1udl s SER 97 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1udl s SER 97 CO -0.01 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 173.84