#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl s SER 2 N 0.00 6.66 -0.01 1.61 1.04 -1.26 -5.06 113.70 116.69 1udl s SER 2 Ca 0.00 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.29 1udl s SER 2 Cb 0.00 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1udl s SER 2 CO 0.00 -0.27 -0.18 -0.44 0.98 0.00 0.00 173.24 173.33 1udl s SER 3 N 1.22 2.09 0.00 7.02 0.01 -1.26 -4.83 113.70 117.95 1udl s SER 3 Ca 0.28 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1udl s SER 3 Cb -0.16 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1udl s SER 3 CO 0.10 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1udl n GLY 4 N 2.60 0.92 3.42 3.44 0.00 -1.26 -5.08 105.19 109.23 1udl n GLY 4 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1udl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1udl s SER 5 N -1.83 6.16 -0.02 1.61 0.15 -1.26 -4.96 113.70 113.55 1udl s SER 5 Ca 0.00 -1.11 -0.15 0.00 0.70 0.00 0.00 55.95 55.38 1udl s SER 5 Cb 0.00 -2.21 -0.08 0.00 -1.71 0.00 0.00 66.02 62.02 1udl s SER 5 CO 0.00 -0.67 0.71 -1.28 1.20 0.00 0.00 173.24 173.20 1udl h SER 6 N 8.79 -0.47 0.00 5.45 0.87 -2.03 -3.49 113.55 122.67 1udl h SER 6 Ca -0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1udl h SER 6 Cb 1.11 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1udl h SER 6 CO 0.87 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 1udl n GLY 7 N 0.19 2.03 3.41 5.77 0.00 -1.26 -4.98 105.19 110.35 1udl n GLY 7 Ca -0.07 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 2.51 -1.09 1.61 -0.21 -1.26 -4.95 119.66 116.27 1udl s GLN 8 Ca 0.00 -0.77 -0.24 0.00 0.02 0.00 0.00 55.36 54.37 1udl s GLN 8 Cb 0.00 -2.31 -0.10 0.00 1.00 0.00 0.00 33.01 31.60 1udl s GLN 8 CO 0.00 0.54 1.99 -1.59 -2.12 0.00 0.00 175.29 174.11 1udl s LYS 9 N -0.53 2.27 -0.82 2.91 -2.85 -1.26 -4.82 119.74 114.63 1udl s LYS 9 Ca 0.07 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 54.27 1udl s LYS 9 Cb -0.11 -5.14 0.24 0.00 -2.06 0.00 0.00 37.83 30.75 1udl s LYS 9 CO 0.01 -4.10 0.85 0.41 0.10 0.00 0.00 175.35 172.62 1udl n GLY 10 N 6.14 4.51 3.78 0.59 0.00 -1.26 -5.07 105.19 113.87 1udl n GLY 10 Ca 0.43 -2.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.99 2.72 -0.16 1.61 -0.11 -1.26 -5.01 118.94 114.73 1udl s TRP 11 Ca 0.32 1.22 0.01 0.00 1.22 0.00 0.00 56.10 58.87 1udl s TRP 11 Cb 0.02 -3.93 0.02 0.00 -1.50 0.00 0.00 33.47 28.08 1udl s TRP 11 CO -0.06 -2.72 -0.19 -0.59 -4.62 0.00 0.00 176.95 168.78 1udl s PHE 12 N -1.07 2.55 0.97 5.86 -0.71 -1.26 -5.13 117.98 119.18 1udl s PHE 12 Ca 0.52 -1.43 -0.16 0.00 -1.04 0.00 0.00 56.93 54.81 1udl s PHE 12 Cb -0.45 -1.78 0.24 0.00 -1.21 0.00 0.00 43.02 39.82 1udl s PHE 12 CO 0.60 -0.72 0.86 -0.35 -1.34 0.00 0.00 175.22 174.27 1udl n PRO 13 N 4.53 -2.70 -1.52 1.99 -0.04 -1.26 -4.92 135.00 131.08 1udl n PRO 13 Ca -0.20 -1.38 -0.29 0.00 -0.04 0.00 0.00 63.50 61.60 1udl n PRO 13 Cb 0.50 -1.29 0.07 0.00 -0.04 0.00 0.00 33.50 32.75 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 -4.48 5.73 -2.89 0.55 0.00 -1.26 -4.97 120.51 113.19 1udl n ALA 14 Ca -0.16 -3.53 -0.33 0.00 0.00 0.00 0.00 53.44 49.42 1udl n ALA 14 Cb 0.46 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.44 4.12 -0.27 0.00 0.01 -1.26 -5.09 113.70 108.76 1udl s SER 15 Ca 0.59 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 57.37 1udl s SER 15 Cb 0.47 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 1udl s SER 15 CO 0.01 0.22 0.71 -2.28 0.41 0.00 0.00 173.24 172.31 1udl s HIS 16 N 0.02 3.26 0.03 2.43 2.46 -1.26 -5.05 115.29 117.17 1udl s HIS 16 Ca -0.04 0.84 0.07 0.00 0.47 0.00 0.00 55.06 56.41 1udl s HIS 16 Cb -0.14 -2.99 -0.02 0.00 -0.13 0.00 0.00 32.58 29.29 1udl s HIS 16 CO 0.04 -0.42 -0.22 0.14 -2.47 0.00 0.00 174.74 171.81 1udl s VAL 17 N 2.69 1.73 -0.09 0.89 -7.23 -1.26 -5.02 120.40 112.11 1udl s VAL 17 Ca 0.29 -1.14 0.13 0.00 -1.81 0.00 0.00 61.98 59.45 1udl s VAL 17 Cb -0.15 -1.48 0.20 0.00 0.56 0.00 0.00 36.38 35.51 1udl s VAL 17 CO 0.10 0.31 1.09 2.29 -0.31 0.00 0.00 175.10 178.58 1udl n LYS 18 N 2.04 1.21 -3.69 4.82 -0.00 -1.26 -5.04 118.16 116.24 1udl n LYS 18 Ca -0.17 -2.15 -0.35 0.00 -0.00 0.00 0.00 58.31 55.64 1udl n LYS 18 Cb 0.53 -1.25 -0.05 0.00 -0.00 0.00 0.00 35.03 34.25 1udl n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1udl s LEU 19 N -2.12 4.38 0.63 -5.58 1.43 -1.26 -5.10 118.68 111.06 1udl s LEU 19 Ca 0.22 0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1udl s LEU 19 Cb 0.20 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1udl s LEU 19 CO 0.02 0.26 0.97 -0.76 0.23 0.00 0.00 176.35 177.07 1udl s LEU 20 N -1.64 3.14 0.00 1.79 1.43 -1.26 -5.01 118.68 117.14 1udl s LEU 20 Ca 0.27 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1udl s LEU 20 Cb -0.14 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1udl s LEU 20 CO 0.15 -1.11 0.00 0.61 0.23 0.00 0.00 176.35 176.23 1udl n GLY 21 N -2.72 1.95 3.69 -3.19 0.00 -1.26 -5.03 105.19 98.63 1udl n GLY 21 Ca 0.05 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.27 4.28 -1.76 1.61 0.04 -1.26 -3.21 135.00 134.44 1udl s PRO 22 Ca 0.00 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1udl s PRO 22 Cb 0.00 -3.51 0.18 0.00 0.04 0.00 0.00 34.50 31.21 1udl s PRO 22 CO 0.00 -0.56 0.72 -1.13 0.04 0.00 0.00 177.00 176.07 1udl n SER 23 N 5.10 -2.81 -0.19 6.66 3.41 -1.26 -4.81 113.62 119.73 1udl n SER 23 Ca 0.13 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1udl n SER 23 Cb 0.43 -2.40 0.10 0.00 -0.26 0.00 0.00 64.21 62.08 1udl n SER 23 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1udl h SER 24 N -1.31 -0.03 -4.18 4.04 0.87 -1.95 -3.42 113.55 107.57 1udl h SER 24 Ca -0.59 0.11 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 1udl h SER 24 Cb 1.39 0.16 0.16 0.00 -0.44 0.00 0.00 62.40 63.67 1udl h SER 24 CO 0.82 -0.00 0.39 -0.70 -0.53 0.00 0.00 176.83 176.81 1udl s GLU 25 N -6.12 2.08 0.08 2.24 2.12 -1.26 -5.04 118.70 112.80 1udl s GLU 25 Ca -0.13 1.79 0.09 0.00 0.36 0.00 0.00 54.97 57.08 1udl s GLU 25 Cb 0.17 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 1udl s GLU 25 CO 0.74 -1.89 -0.24 -0.98 -0.54 0.00 0.00 175.26 172.35 1udl s ARG 26 N -3.91 1.42 0.46 4.30 3.03 -1.26 -5.12 118.95 117.88 1udl s ARG 26 Ca 0.75 -1.15 -0.24 0.00 2.03 0.00 0.00 55.73 57.12 1udl s ARG 26 Cb -0.30 -1.70 -0.07 0.00 -1.03 0.00 0.00 34.95 31.85 1udl s ARG 26 CO 0.46 0.42 1.34 0.00 -1.13 0.00 0.00 175.30 176.38 1udl s ALA 27 N -0.96 3.11 -0.06 7.88 0.00 -1.26 -5.02 121.76 125.45 1udl s ALA 27 Ca 0.10 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1udl s ALA 27 Cb -0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1udl s ALA 27 CO 0.04 -1.05 -0.18 -0.08 0.00 0.00 0.00 175.76 174.49 1udl s THR 28 N -1.29 2.73 -1.82 0.00 -1.32 -1.26 -5.00 115.64 107.68 1udl s THR 28 Ca 0.62 -0.83 0.15 0.00 -1.21 0.00 0.00 61.69 60.42 1udl s THR 28 Cb -0.39 -2.05 0.39 0.00 -1.51 0.00 0.00 72.50 68.93 1udl s THR 28 CO 0.49 0.58 1.36 -0.81 -2.21 0.00 0.00 174.62 174.03 1udl n PRO 29 N 2.60 0.40 -3.91 7.08 -0.04 -1.26 -4.44 135.00 135.43 1udl n PRO 29 Ca -0.17 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1udl n PRO 29 Cb 0.52 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.18 1.82 -0.25 0.55 0.00 -1.26 -5.11 121.76 115.34 1udl s ALA 30 Ca 0.21 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 1udl s ALA 30 Cb 0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 1udl s ALA 30 CO 0.19 -1.17 0.15 -0.59 0.00 0.00 0.00 175.76 174.34 1udl s PHE 31 N 1.46 3.24 -0.31 0.00 -0.71 -1.26 -5.07 117.98 115.33 1udl s PHE 31 Ca -0.05 0.06 -0.03 0.00 -1.04 0.00 0.00 56.93 55.88 1udl s PHE 31 Cb -0.18 -2.28 0.05 0.00 -1.21 0.00 0.00 43.02 39.39 1udl s PHE 31 CO -0.06 -0.08 0.02 -3.38 -1.34 0.00 0.00 175.22 170.38 1udl s HIS 32 N 1.33 3.26 1.08 3.49 -3.43 -1.26 -5.11 115.29 114.65 1udl s HIS 32 Ca 0.07 -1.79 -0.15 0.00 -0.80 0.00 0.00 55.06 52.39 1udl s HIS 32 Cb -0.15 -2.15 0.23 0.00 -1.43 0.00 0.00 32.58 29.09 1udl s HIS 32 CO 0.06 -0.79 1.10 -1.25 -2.00 0.00 0.00 174.74 171.86 1udl s PRO 33 N 1.28 -0.19 -0.19 -0.38 0.04 -1.26 -4.95 135.00 129.34 1udl s PRO 33 Ca -0.05 0.31 0.06 0.00 0.04 0.00 0.00 61.00 61.37 1udl s PRO 33 Cb -0.20 -1.68 -0.22 0.00 0.04 0.00 0.00 34.50 32.44 1udl s PRO 33 CO -0.00 -3.10 0.07 1.55 0.04 0.00 0.00 177.00 175.55 1udl n VAL 34 N -4.40 1.53 -3.84 -0.36 3.14 0.92 -4.95 118.33 110.37 1udl n VAL 34 Ca 0.08 -0.70 -0.03 0.00 -2.96 0.00 0.00 64.34 60.73 1udl n VAL 34 Cb 0.58 -1.15 0.01 0.00 -1.06 0.00 0.00 33.84 32.22 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 -2.47 2.83 0.31 0.00 0.74 -1.26 -1.60 119.66 118.21 1udl s GLN 36 Ca 0.19 -0.80 0.04 0.00 0.05 0.00 0.00 55.36 54.85 1udl s GLN 36 Cb -0.02 -2.21 -0.06 0.00 1.10 0.00 0.00 33.01 31.82 1udl s GLN 36 CO 0.04 0.09 0.03 0.14 -0.55 0.00 0.00 175.29 175.04 1udl s VAL 37 N 0.55 1.29 0.05 1.34 -7.23 -0.86 -2.96 120.40 112.58 1udl s VAL 37 Ca -0.14 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.08 1udl s VAL 37 Cb -0.17 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1udl s VAL 37 CO 0.05 -0.10 -0.22 -0.51 -0.31 0.00 0.00 175.10 174.01 1udl s ILE 38 N -3.24 1.76 0.16 -0.62 1.10 -1.09 -3.49 121.20 115.79 1udl s ILE 38 Ca 0.34 -1.26 -0.30 0.00 -0.51 0.00 0.00 60.65 58.91 1udl s ILE 38 Cb 0.07 -1.53 -0.08 0.00 0.15 0.00 0.00 42.46 41.07 1udl s ILE 38 CO 0.14 0.21 1.31 0.00 -2.11 0.00 0.00 174.94 174.50 1udl s ALA 39 N -0.83 3.53 -0.02 1.50 0.00 -1.26 -1.18 121.76 123.50 1udl s ALA 39 Ca 0.08 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.21 1udl s ALA 39 Cb -0.09 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.31 1udl s ALA 39 CO 0.02 -0.54 0.73 0.52 0.00 0.00 0.00 175.76 176.50 1udl h MET 40 N 5.97 0.04 -3.45 0.00 2.86 -1.09 -2.16 114.93 117.10 1udl h MET 40 Ca -0.44 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 56.93 1udl h MET 40 Cb 1.21 0.02 -0.28 0.00 0.06 0.00 0.00 31.60 32.62 1udl h MET 40 CO 0.80 0.66 -0.60 0.71 1.06 0.00 0.00 176.91 179.54 1udl s TYR 41 N -2.61 -0.12 -0.44 -0.22 1.51 -1.26 -4.88 117.35 109.34 1udl s TYR 41 Ca -0.06 0.30 -0.36 0.00 -1.01 0.00 0.00 57.07 55.95 1udl s TYR 41 Cb 0.08 0.01 -0.13 0.00 -0.11 0.00 0.00 41.96 41.80 1udl s TYR 41 CO 0.82 -0.07 2.24 -0.40 -1.11 0.00 0.00 175.55 177.03 1udl n ASP 42 N 3.26 1.72 -4.75 2.29 5.75 -1.26 -4.50 116.55 119.06 1udl n ASP 42 Ca -0.15 0.38 -0.37 0.00 -0.01 0.00 0.00 54.79 54.64 1udl n ASP 42 Cb 0.58 -1.19 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1udl s TYR 43 N 7.52 3.55 -0.30 2.11 6.14 0.82 -4.89 117.35 132.31 1udl s TYR 43 Ca 1.13 0.84 0.03 0.00 0.64 0.00 0.00 57.07 59.71 1udl s TYR 43 Cb -0.97 -2.43 0.08 0.00 0.42 0.00 0.00 41.96 39.06 1udl s TYR 43 CO 0.51 0.31 -0.03 0.00 0.64 0.00 0.00 175.55 176.98 1udl s ALA 44 N 0.16 2.74 -0.02 3.97 0.00 -1.26 -0.39 121.76 126.95 1udl s ALA 44 Ca 0.23 -2.13 -0.31 0.00 0.00 0.00 0.00 51.96 49.74 1udl s ALA 44 Cb -0.15 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 1udl s ALA 44 CO 0.09 -1.44 1.98 0.00 0.00 0.00 0.00 175.76 176.39 1udl n ALA 45 N 4.36 1.41 1.11 0.00 0.00 -1.25 -4.84 120.51 121.30 1udl n ALA 45 Ca -0.06 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1udl n ALA 45 Cb 0.42 -2.65 0.29 0.00 0.00 0.00 0.00 19.45 17.51 1udl n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1udl n ASN 46 N 7.68 1.71 -3.76 0.00 0.23 -1.26 -4.88 115.26 114.98 1udl n ASN 46 Ca 0.22 -1.82 -0.09 0.00 -0.53 0.00 0.00 54.58 52.37 1udl n ASN 46 Cb 0.38 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 1udl n ASN 46 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1udl s ASN 47 N -1.35 -0.06 0.00 0.53 4.22 -1.26 -5.01 114.94 112.00 1udl s ASN 47 Ca 0.29 -0.88 0.00 0.00 -2.14 0.00 0.00 52.86 50.12 1udl s ASN 47 Cb 0.15 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.36 1udl s ASN 47 CO 0.22 -1.30 0.92 -0.62 -2.04 0.00 0.00 177.10 174.28 1udl n GLU 48 N -0.44 0.93 -0.05 3.55 1.02 -1.26 -2.90 120.64 121.48 1udl n GLU 48 Ca -0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1udl n GLU 48 Cb 0.61 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.91 1udl n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1udl n ASP 49 N -0.49 1.75 -4.81 1.62 8.00 -1.26 -4.95 116.55 116.41 1udl n ASP 49 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1udl n ASP 49 Cb 0.00 1.04 0.08 0.00 -0.02 0.00 0.00 41.12 42.22 1udl n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1udl s GLU 50 N -2.49 2.01 -0.17 -1.24 2.02 -1.14 -1.86 118.70 115.82 1udl s GLU 50 Ca -0.06 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 1udl s GLU 50 Cb 0.05 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 1udl s GLU 50 CO 0.55 -1.27 -0.09 -1.17 0.02 0.00 0.00 175.26 173.30 1udl s LEU 51 N -5.16 2.80 -0.44 1.80 0.20 -0.86 -4.21 118.68 112.81 1udl s LEU 51 Ca 0.62 -0.36 -0.22 0.00 0.69 0.00 0.00 54.13 54.87 1udl s LEU 51 Cb -0.09 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 1udl s LEU 51 CO 0.44 0.08 0.70 -0.94 -0.29 0.00 0.00 176.35 176.34 1udl s SER 52 N 0.88 6.36 0.19 3.68 1.04 -1.26 -3.79 113.70 120.81 1udl s SER 52 Ca -0.02 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1udl s SER 52 Cb -0.15 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1udl s SER 52 CO 0.00 -0.83 0.22 0.72 0.98 0.00 0.00 173.24 174.34 1udl s PHE 53 N 3.01 0.79 0.50 5.02 -0.12 0.47 -4.91 117.98 122.75 1udl s PHE 53 Ca 0.26 -1.10 0.06 0.00 -0.05 0.00 0.00 56.93 56.10 1udl s PHE 53 Cb -0.13 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 41.98 1udl s PHE 53 CO 0.20 -0.71 0.31 0.45 -0.05 0.00 0.00 175.22 175.42 1udl s SER 54 N -3.08 4.58 0.08 1.98 0.15 -1.26 -0.13 113.70 116.02 1udl s SER 54 Ca 0.29 -1.20 -0.31 0.00 0.70 0.00 0.00 55.95 55.43 1udl s SER 54 Cb 0.05 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.40 1udl s SER 54 CO 0.08 -0.91 1.67 -0.75 1.20 0.00 0.00 173.24 174.53 1udl s LYS 55 N -4.14 4.19 0.00 5.44 2.20 -1.26 -2.56 119.74 123.61 1udl s LYS 55 Ca 0.34 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1udl s LYS 55 Cb -0.01 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1udl s LYS 55 CO 0.20 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1udl n GLY 56 N 4.01 0.77 3.90 5.54 0.00 -0.81 -4.95 105.19 113.65 1udl n GLY 56 Ca 0.16 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.53 3.59 -0.71 1.61 2.00 -1.06 -4.86 119.66 116.71 1udl s GLN 57 Ca 0.00 0.22 -0.26 0.00 -2.00 0.00 0.00 55.36 53.31 1udl s GLN 57 Cb 0.00 -2.41 0.04 0.00 0.80 0.00 0.00 33.01 31.44 1udl s GLN 57 CO 0.00 -0.13 1.22 -1.17 -0.50 0.00 0.00 175.29 174.71 1udl s LEU 58 N -4.47 3.38 -0.16 3.68 2.96 -1.26 -3.98 118.68 118.84 1udl s LEU 58 Ca 0.48 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1udl s LEU 58 Cb -0.10 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.97 1udl s LEU 58 CO 0.41 -1.73 -0.19 -0.63 -1.32 0.00 0.00 176.35 172.89 1udl s ILE 59 N 5.38 2.28 -0.44 6.68 1.01 -1.23 -3.92 121.20 130.97 1udl s ILE 59 Ca 0.34 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1udl s ILE 59 Cb -0.09 -1.94 0.12 0.00 0.01 0.00 0.00 42.46 40.55 1udl s ILE 59 CO 0.16 0.53 0.24 0.20 0.00 0.00 0.00 174.94 176.07 1udl s ASN 60 N 0.94 5.26 0.10 3.58 -0.87 -1.19 -2.03 114.94 120.73 1udl s ASN 60 Ca -0.04 -2.14 -0.31 0.00 -1.57 0.00 0.00 52.86 48.80 1udl s ASN 60 Cb -0.15 -1.84 -0.11 0.00 -0.02 0.00 0.00 41.25 39.14 1udl s ASN 60 CO -0.04 -0.52 1.85 0.52 -2.57 0.00 0.00 177.10 176.34 1udl n VAL 61 N 4.45 0.43 -0.04 1.60 0.31 -0.63 -3.22 118.33 121.22 1udl n VAL 61 Ca -0.01 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 1udl n VAL 61 Cb 0.41 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 5.92 1.01 -3.81 5.55 2.81 0.47 -0.06 117.12 129.01 1udl n MET 62 Ca 0.19 0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.81 1udl n MET 62 Cb 0.37 -1.19 -0.15 0.00 -0.71 0.00 0.00 33.22 31.54 1udl n MET 62 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1udl s ASN 63 N -4.62 4.12 -0.42 7.83 -0.87 -1.24 -4.30 114.94 115.43 1udl s ASN 63 Ca -0.10 -1.68 0.04 0.00 -1.57 0.00 0.00 52.86 49.55 1udl s ASN 63 Cb 0.03 -1.03 0.49 0.00 -0.02 0.00 0.00 41.25 40.72 1udl s ASN 63 CO 0.25 -0.39 1.60 2.29 -2.57 0.00 0.00 177.10 178.27 1udl n LYS 64 N 4.72 2.68 -0.25 -0.60 2.85 -1.26 -3.00 118.16 123.31 1udl n LYS 64 Ca -0.02 -3.51 0.03 0.00 -1.05 0.00 0.00 58.31 53.76 1udl n LYS 64 Cb 0.42 -2.14 0.16 0.00 -0.65 0.00 0.00 35.03 32.83 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 1.67 0.36 -3.63 -5.58 3.58 -1.94 -3.38 116.42 107.51 1udl h ASP 65 Ca 0.43 0.09 -0.62 0.00 0.42 0.00 0.00 57.03 57.34 1udl h ASP 65 Cb 1.47 0.04 -0.14 0.00 1.72 0.00 0.00 39.33 42.41 1udl h ASP 65 CO 0.94 0.18 -0.43 -1.81 -2.88 0.00 0.00 179.24 175.24 1udl s ASP 66 N -5.41 6.17 0.00 2.28 1.01 -1.26 -4.85 116.67 114.61 1udl s ASP 66 Ca -0.12 0.18 0.11 0.00 0.71 0.00 0.00 52.55 53.43 1udl s ASP 66 Cb 0.19 -2.14 0.68 0.00 1.01 0.00 0.00 42.92 42.66 1udl s ASP 66 CO 0.76 0.00 1.11 -0.81 0.21 0.00 0.00 175.17 176.45 1udl n PRO 67 N 4.53 0.48 -0.14 8.23 -0.04 -1.26 -2.88 135.00 143.92 1udl n PRO 67 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 1udl n PRO 67 Cb 0.52 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1udl n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1udl n ASP 68 N -0.87 1.97 -4.20 3.54 8.00 -1.26 -4.76 116.55 118.97 1udl n ASP 68 Ca 0.09 0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 1udl n ASP 68 Cb 0.04 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 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 1.54 0.30 1.24 0.52 -1.14 -0.71 118.94 118.18 1udl s TRP 69 Ca -0.37 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.45 1udl s TRP 69 Cb 0.13 -0.92 -0.06 0.00 -1.15 0.00 0.00 33.47 31.47 1udl s TRP 69 CO 0.53 0.06 -0.05 -1.58 0.02 0.00 0.00 176.95 175.94 1udl s TRP 70 N -0.81 2.02 -0.12 -1.98 0.51 0.73 -4.23 118.94 115.06 1udl s TRP 70 Ca 0.05 -0.71 0.02 0.00 -2.12 0.00 0.00 56.10 53.34 1udl s TRP 70 Cb -0.08 -1.19 0.01 0.00 -0.81 0.00 0.00 33.47 31.40 1udl s TRP 70 CO 0.01 0.28 -0.17 -1.14 -0.51 0.00 0.00 176.95 175.43 1udl s GLN 71 N -3.73 2.45 0.26 4.98 0.74 -1.16 -2.61 119.66 120.58 1udl s GLN 71 Ca 0.31 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1udl s GLN 71 Cb 0.04 -2.06 -0.05 0.00 1.10 0.00 0.00 33.01 32.05 1udl s GLN 71 CO 0.13 -0.07 0.12 0.20 -0.55 0.00 0.00 175.29 175.12 1udl s GLY 72 N 0.99 1.77 0.03 2.59 0.00 -1.26 -0.40 107.32 111.04 1udl s GLY 72 Ca -0.06 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.93 1udl s GLY 72 CO -0.03 -1.56 -0.21 -1.83 0.00 0.00 0.00 173.10 169.47 1udl s GLU 73 N -4.00 2.03 -0.33 2.90 -1.05 -1.20 -3.49 118.70 113.56 1udl s GLU 73 Ca 0.37 -0.99 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 1udl s GLU 73 Cb 0.07 -2.12 0.11 0.00 -0.44 0.00 0.00 34.13 31.75 1udl s GLU 73 CO 0.14 0.54 0.14 0.42 0.95 0.00 0.00 175.26 177.46 1udl s ILE 74 N -0.83 0.58 -0.87 1.83 1.01 0.13 -3.18 121.20 119.88 1udl s ILE 74 Ca 0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1udl s ILE 74 Cb -0.10 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1udl s ILE 74 CO 0.03 -0.76 0.73 0.59 0.00 0.00 0.00 174.94 175.53 1udl n ASN 75 N 4.67 -2.91 0.00 3.58 3.02 -1.26 -2.41 115.26 119.96 1udl n ASN 75 Ca 0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1udl n ASN 75 Cb 0.40 -3.98 0.00 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 -1.15 0.61 3.87 7.41 0.00 -1.26 -4.99 105.19 109.69 1udl n GLY 76 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.79 5.14 0.10 1.61 0.11 -1.01 -5.12 120.40 118.45 1udl s VAL 77 Ca 0.00 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1udl s VAL 77 Cb 0.00 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1udl s VAL 77 CO 0.00 0.18 -0.16 0.42 -3.33 0.00 0.00 175.10 172.21 1udl s THR 78 N -1.43 1.37 0.00 5.04 -4.23 -1.26 0.20 115.64 115.33 1udl s THR 78 Ca 0.32 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1udl s THR 78 Cb -0.13 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1udl s THR 78 CO 0.24 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1udl n GLY 79 N 0.89 1.38 3.21 3.99 0.00 -1.23 -4.85 105.19 108.57 1udl n GLY 79 Ca -0.18 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 2.01 0.04 0.99 1.43 -0.78 -4.12 118.68 118.26 1udl s LEU 80 Ca 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1udl s LEU 80 Cb 0.00 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1udl s LEU 80 CO 0.00 0.18 0.33 0.72 0.23 0.00 0.00 176.35 177.81 1udl s PHE 81 N 0.12 -0.15 0.47 0.29 -0.12 -1.07 -2.04 117.98 115.47 1udl s PHE 81 Ca -0.10 0.05 -0.23 0.00 -0.05 0.00 0.00 56.93 56.61 1udl s PHE 81 Cb -0.15 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.29 1udl s PHE 81 CO 0.05 -0.51 1.16 -1.25 -0.05 0.00 0.00 175.22 174.62 1udl s PRO 82 N -2.46 3.73 0.00 1.99 0.04 -1.26 -0.19 135.00 136.85 1udl s PRO 82 Ca -0.06 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1udl s PRO 82 Cb -0.01 -2.38 0.37 0.00 0.04 0.00 0.00 34.50 32.52 1udl s PRO 82 CO -0.03 -0.57 1.15 -1.13 0.04 0.00 0.00 177.00 176.46 1udl n SER 83 N -0.54 0.00 -0.01 6.66 3.41 0.12 -2.75 113.62 120.50 1udl n SER 83 Ca 0.08 -1.62 0.09 0.00 -0.26 0.00 0.00 58.87 57.15 1udl n SER 83 Cb 0.48 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.61 0.40 -0.73 4.04 3.02 -1.26 -4.23 115.26 115.90 1udl n ASN 84 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.64 1udl n ASN 84 Cb 0.02 1.86 0.15 0.00 -0.61 0.00 0.00 39.78 41.20 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 -2.23 0.55 -4.03 3.10 4.02 -1.11 -4.84 117.16 112.63 1udl n TYR 85 Ca -0.05 -0.24 -0.10 0.00 -0.01 0.00 0.00 57.90 57.50 1udl n TYR 85 Cb 0.56 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.68 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 -1.63 0.30 -0.09 -0.72 -7.23 -1.26 -0.43 120.40 109.34 1udl s VAL 86 Ca 0.21 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1udl s VAL 86 Cb 0.13 -0.52 0.02 0.00 0.56 0.00 0.00 36.38 36.57 1udl s VAL 86 CO 0.12 -0.50 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.59 1udl s LYS 87 N -1.75 1.31 -0.45 4.82 2.20 -0.32 -4.90 119.74 120.64 1udl s LYS 87 Ca -0.11 -0.20 -0.42 0.00 -0.36 0.00 0.00 55.97 54.88 1udl s LYS 87 Cb -0.08 -1.35 -0.17 0.00 -1.51 0.00 0.00 37.83 34.72 1udl s LYS 87 CO -0.01 -0.20 2.09 -1.33 -0.36 0.00 0.00 175.35 175.54 1udl n MET 88 N 4.66 0.31 -0.25 4.03 2.81 -1.26 -2.65 117.12 124.77 1udl n MET 88 Ca -0.15 0.09 -0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1udl n MET 88 Cb 0.50 -1.76 0.12 0.00 -0.71 0.00 0.00 33.22 31.37 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 6.78 0.95 -5.13 2.03 1.35 -1.86 -3.47 112.91 113.57 1udl h THR 89 Ca -0.18 -0.24 -0.34 0.00 -0.55 0.00 0.00 66.41 65.09 1udl h THR 89 Cb 1.39 0.18 0.12 0.00 -1.73 0.00 0.00 68.15 68.10 1udl h THR 89 CO 1.06 0.13 -0.58 0.41 -0.25 0.00 0.00 175.52 176.29 1udl n THR 90 N -4.78 -2.55 -0.79 6.82 -1.04 -1.26 -4.86 114.28 105.82 1udl n THR 90 Ca 0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 1udl n THR 90 Cb 0.20 -3.63 -0.12 0.00 -1.82 0.00 0.00 70.33 64.96 1udl n THR 90 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1udl n ASP 91 N -2.36 4.61 -4.42 8.00 8.00 -1.26 -4.82 116.55 124.30 1udl n ASP 91 Ca 0.01 -2.33 -0.38 0.00 0.71 0.00 0.00 54.79 52.79 1udl n ASP 91 Cb 0.55 -1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 1udl n ASP 91 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1udl s SER 92 N 2.10 5.39 -0.01 -2.24 1.04 -1.26 -5.07 113.70 113.64 1udl s SER 92 Ca 0.48 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1udl s SER 92 Cb 0.23 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.40 1udl s SER 92 CO 0.00 -0.17 -0.01 -0.55 0.98 0.00 0.00 173.24 173.49 1udl s SER 93 N 1.59 0.31 0.27 7.02 0.15 -1.26 -5.16 113.70 116.61 1udl s SER 93 Ca 0.04 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.73 1udl s SER 93 Cb -0.17 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1udl s SER 93 CO 0.05 -0.02 0.28 -0.83 1.20 0.00 0.00 173.24 173.92 1udl s GLY 94 N 0.38 1.43 0.01 9.45 0.00 -1.26 -5.07 107.32 112.26 1udl s GLY 94 Ca -0.03 -1.41 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 1udl s GLY 94 CO -0.01 -1.41 1.44 2.56 0.00 0.00 0.00 173.10 175.68 1udl s PRO 95 N -3.94 4.27 0.43 2.90 0.04 -1.26 -5.00 135.00 132.44 1udl s PRO 95 Ca 0.36 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.19 1udl s PRO 95 Cb -0.08 -3.56 -0.09 0.00 0.04 0.00 0.00 34.50 30.81 1udl s PRO 95 CO 0.27 -0.59 1.06 -1.54 0.04 0.00 0.00 177.00 176.23 1udl s SER 96 N 1.93 6.60 -0.02 6.66 1.04 -1.26 -5.05 113.70 123.60 1udl s SER 96 Ca 0.65 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 59.10 1udl s SER 96 Cb -0.33 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.17 1udl s SER 96 CO 0.27 -0.61 0.10 -0.44 0.98 0.00 0.00 173.24 173.55 1udl s SER 97 N -1.66 5.84 0.00 7.02 0.01 -1.26 -5.36 113.70 118.30 1udl s SER 97 Ca 0.61 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1udl s SER 97 Cb -0.21 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1udl s SER 97 CO 0.26 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.80