#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 -0.73 1.61 0.01 -1.26 -5.04 113.70 113.78 1udl s SER 2 Ca 0.00 -1.97 -0.21 0.00 1.31 0.00 0.00 55.95 55.09 1udl s SER 2 Cb 0.00 -1.92 0.10 0.00 0.21 0.00 0.00 66.02 64.40 1udl s SER 2 CO 0.00 -0.62 0.96 -0.44 0.41 0.00 0.00 173.24 173.55 1udl s SER 3 N 2.26 6.32 0.43 2.44 0.01 -1.26 -4.96 113.70 118.93 1udl s SER 3 Ca 0.07 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1udl s SER 3 Cb -0.25 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1udl s SER 3 CO -0.02 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1udl n GLY 4 N 5.35 -0.03 3.78 3.44 0.00 -1.26 -4.70 105.19 111.77 1udl n GLY 4 Ca 0.04 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 5.81 0.28 1.61 1.04 -1.26 -5.06 113.70 112.12 1udl s SER 5 Ca 0.00 0.30 -0.27 0.00 0.48 0.00 0.00 55.95 56.47 1udl s SER 5 Cb 0.00 -1.78 -0.15 0.00 0.10 0.00 0.00 66.02 64.19 1udl s SER 5 CO 0.00 0.39 0.66 -1.54 0.98 0.00 0.00 173.24 173.73 1udl n SER 6 N 2.09 -0.45 -0.48 7.02 3.41 -1.26 -4.61 113.62 119.34 1udl n SER 6 Ca -0.19 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1udl n SER 6 Cb 0.54 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1udl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udl n GLY 7 N 1.73 -0.88 3.81 5.00 0.00 -1.26 -5.05 105.19 108.53 1udl n GLY 7 Ca 0.14 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.34 4.25 -0.34 1.61 0.00 -1.26 -5.00 119.66 117.58 1udl s GLN 8 Ca 0.00 0.81 -0.28 0.00 -0.00 0.00 0.00 55.36 55.88 1udl s GLN 8 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 33.01 29.83 1udl s GLN 8 CO 0.00 0.58 1.78 0.21 0.00 0.00 0.00 175.29 177.86 1udl s LYS 9 N -1.31 3.33 -0.37 9.60 2.20 -1.26 -3.70 119.74 128.23 1udl s LYS 9 Ca 0.33 1.38 -0.02 0.00 -0.36 0.00 0.00 55.97 57.30 1udl s LYS 9 Cb -0.19 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 1udl s LYS 9 CO 0.21 -1.86 0.37 0.41 -0.36 0.00 0.00 175.35 174.12 1udl n GLY 10 N 5.41 -0.85 1.53 5.54 0.00 -1.26 -5.02 105.19 110.53 1udl n GLY 10 Ca 0.22 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 1udl n GLY 10 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1udl n TRP 11 N -1.22 -2.35 -4.80 1.61 2.14 -1.24 -5.03 117.44 106.55 1udl n TRP 11 Ca 0.01 -0.23 -0.24 0.00 2.07 0.00 0.00 57.50 59.11 1udl n TRP 11 Cb 0.45 -0.64 -0.15 0.00 -0.81 0.00 0.00 31.31 30.16 1udl n TRP 11 CO 0.00 0.00 0.00 -0.59 2.07 0.00 0.00 177.69 179.17 1udl s PHE 12 N -1.41 1.52 1.11 -2.67 -0.71 -1.26 -5.13 117.98 109.43 1udl s PHE 12 Ca 0.25 -0.32 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 1udl s PHE 12 Cb -0.04 -0.99 0.27 0.00 -1.21 0.00 0.00 43.02 41.05 1udl s PHE 12 CO 0.21 -0.05 0.98 -0.35 -1.34 0.00 0.00 175.22 174.67 1udl n PRO 13 N 2.76 -2.94 -2.06 1.99 -0.04 -1.26 -4.89 135.00 128.56 1udl n PRO 13 Ca -0.15 -1.57 -0.39 0.00 -0.04 0.00 0.00 63.50 61.35 1udl n PRO 13 Cb 0.54 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 -3.01 2.28 0.84 0.55 0.00 -1.26 -4.97 121.76 116.19 1udl s ALA 14 Ca 0.64 -0.58 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1udl s ALA 14 Cb -0.06 -4.27 0.10 0.00 0.00 0.00 0.00 23.12 18.90 1udl s ALA 14 CO 0.49 -3.72 1.16 0.45 0.00 0.00 0.00 175.76 174.14 1udl s SER 15 N 7.65 3.47 0.42 0.00 0.15 -1.26 -4.96 113.70 119.16 1udl s SER 15 Ca 0.67 2.21 -0.24 0.00 0.70 0.00 0.00 55.95 59.29 1udl s SER 15 Cb -0.13 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 1udl s SER 15 CO 0.22 -2.74 1.14 -2.28 1.20 0.00 0.00 173.24 170.79 1udl s HIS 16 N -2.46 3.05 -0.42 3.44 2.46 -1.26 -5.01 115.29 115.09 1udl s HIS 16 Ca 0.69 1.57 -0.13 0.00 0.47 0.00 0.00 55.06 57.65 1udl s HIS 16 Cb -0.24 -3.34 0.05 0.00 -0.13 0.00 0.00 32.58 28.92 1udl s HIS 16 CO 0.54 -1.23 0.30 0.08 -2.47 0.00 0.00 174.74 171.96 1udl s VAL 17 N -1.50 4.94 -0.27 0.89 1.01 -1.26 -4.95 120.40 119.26 1udl s VAL 17 Ca 0.59 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1udl s VAL 17 Cb -0.28 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.44 1udl s VAL 17 CO 0.35 -0.40 1.97 0.29 0.00 0.00 0.00 175.10 177.31 1udl n LYS 18 N 5.10 1.68 -4.16 2.72 4.76 -1.26 -4.89 118.16 122.11 1udl n LYS 18 Ca -0.11 -1.35 -0.30 0.00 -2.87 0.00 0.00 58.31 53.67 1udl n LYS 18 Cb 0.45 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.57 3.37 0.98 -0.35 1.02 -1.26 -5.10 118.68 115.78 1udl s LEU 19 Ca 0.27 -0.21 -0.15 0.00 0.02 0.00 0.00 54.13 54.05 1udl s LEU 19 Cb 0.21 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 44.26 1udl s LEU 19 CO -0.00 0.18 -0.18 0.00 0.02 0.00 0.00 176.35 176.37 1udl n LEU 20 N 0.64 -2.99 -0.97 1.79 -0.00 -1.26 -4.61 117.00 109.58 1udl n LEU 20 Ca -0.11 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1udl n LEU 20 Cb 0.52 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1udl n LEU 20 CO 0.38 -4.76 0.00 0.61 -0.00 0.00 0.00 177.39 173.62 1udl n GLY 21 N 2.45 -0.12 3.71 1.47 0.00 -1.26 -5.08 105.19 106.37 1udl n GLY 21 Ca 0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1udl n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 22 N -1.44 1.11 -0.56 1.61 0.04 -1.26 -4.99 135.00 129.51 1udl s PRO 22 Ca 0.00 0.77 -0.19 0.00 0.04 0.00 0.00 61.00 61.62 1udl s PRO 22 Cb 0.00 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.83 1udl s PRO 22 CO 0.00 -2.33 0.71 0.45 0.04 0.00 0.00 177.00 175.87 1udl s SER 23 N -3.42 6.20 -0.02 6.66 0.15 -1.26 -4.91 113.70 117.09 1udl s SER 23 Ca 0.64 -1.17 -0.25 0.00 0.70 0.00 0.00 55.95 55.88 1udl s SER 23 Cb -0.18 -2.31 -0.20 0.00 -1.71 0.00 0.00 66.02 61.62 1udl s SER 23 CO 0.57 -1.07 1.22 0.28 1.20 0.00 0.00 173.24 175.44 1udl h SER 24 N 9.15 0.12 -3.40 5.45 0.02 -2.07 -3.43 113.55 119.39 1udl h SER 24 Ca -0.29 -0.56 -0.52 0.00 -0.84 0.00 0.00 61.79 59.58 1udl h SER 24 Cb 1.09 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.60 1udl h SER 24 CO 1.06 0.66 0.53 -1.61 -1.14 0.00 0.00 176.83 176.33 1udl s GLU 25 N -3.97 4.50 0.15 3.45 8.01 -1.26 -5.04 118.70 124.54 1udl s GLU 25 Ca -0.16 1.78 0.11 0.00 0.01 0.00 0.00 54.97 56.71 1udl s GLU 25 Cb 0.02 -3.29 -0.04 0.00 -4.31 0.00 0.00 34.13 26.51 1udl s GLU 25 CO 0.70 -0.09 -0.25 1.03 0.01 0.00 0.00 175.26 176.66 1udl s ARG 26 N 0.20 1.40 -1.15 1.61 0.52 -1.26 -4.73 118.95 115.54 1udl s ARG 26 Ca 0.54 -1.39 -0.06 0.00 -0.52 0.00 0.00 55.73 54.29 1udl s ARG 26 Cb -0.30 -1.78 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1udl s ARG 26 CO 0.33 0.41 1.00 0.00 0.02 0.00 0.00 175.30 177.06 1udl n ALA 27 N 0.67 -1.25 -2.36 2.13 0.00 -1.26 -4.99 120.51 113.45 1udl n ALA 27 Ca -0.16 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1udl n ALA 27 Cb 0.54 -4.38 -0.06 0.00 0.00 0.00 0.00 19.45 15.56 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 -3.28 4.85 -2.00 0.00 -4.23 -1.26 -4.95 115.64 104.76 1udl s THR 28 Ca 0.42 0.92 0.11 0.00 -1.18 0.00 0.00 61.69 61.96 1udl s THR 28 Cb -0.18 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 70.19 1udl s THR 28 CO 0.63 0.37 1.09 -0.81 -0.54 0.00 0.00 174.62 175.36 1udl n PRO 29 N 1.17 0.49 -0.32 3.99 -0.04 -1.26 -4.09 135.00 134.94 1udl n PRO 29 Ca -0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1udl n PRO 29 Cb 0.52 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.85 -0.26 -1.77 0.55 0.00 -1.26 -4.31 120.51 112.62 1udl n ALA 30 Ca 0.08 0.75 -0.38 0.00 0.00 0.00 0.00 53.44 53.89 1udl n ALA 30 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -5.62 3.03 -0.20 0.00 -0.12 -1.26 -5.04 117.98 108.77 1udl s PHE 31 Ca -0.10 1.55 -0.00 0.00 -0.05 0.00 0.00 56.93 58.33 1udl s PHE 31 Cb 0.13 -3.37 0.05 0.00 -0.63 0.00 0.00 43.02 39.20 1udl s PHE 31 CO 0.54 -1.33 -0.04 -1.01 -0.05 0.00 0.00 175.22 173.33 1udl s HIS 32 N -1.46 1.93 0.94 3.49 3.76 -1.26 -5.13 115.29 117.56 1udl s HIS 32 Ca 0.59 -1.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.00 1udl s HIS 32 Cb -0.30 -1.40 0.15 0.00 1.11 0.00 0.00 32.58 32.15 1udl s HIS 32 CO 0.37 -0.69 1.09 -1.25 -0.85 0.00 0.00 174.74 173.41 1udl s PRO 33 N 1.55 0.91 -0.10 8.40 0.04 -1.26 -4.94 135.00 139.61 1udl s PRO 33 Ca -0.03 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.74 1udl s PRO 33 Cb -0.17 -1.78 -0.24 0.00 0.04 0.00 0.00 34.50 32.35 1udl s PRO 33 CO -0.07 -2.45 0.44 1.33 0.04 0.00 0.00 177.00 176.30 1udl n VAL 34 N -4.01 1.67 -3.77 -0.36 0.24 0.48 -4.95 118.33 107.64 1udl n VAL 34 Ca 0.06 -0.72 -0.01 0.00 -2.04 0.00 0.00 64.34 61.63 1udl n VAL 34 Cb 0.56 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 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 -2.55 3.21 0.52 0.00 0.74 -1.26 -1.23 119.66 119.08 1udl s GLN 36 Ca 0.17 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.87 1udl s GLN 36 Cb 0.01 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.48 1udl s GLN 36 CO 0.00 -0.02 0.21 0.14 -0.55 0.00 0.00 175.29 175.07 1udl s VAL 37 N 0.90 1.51 -0.04 1.34 -7.23 -0.62 -3.40 120.40 112.87 1udl s VAL 37 Ca -0.04 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1udl s VAL 37 Cb -0.15 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1udl s VAL 37 CO -0.01 0.00 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.17 1udl s ILE 38 N -2.80 0.87 0.21 -0.62 2.07 -0.45 -3.76 121.20 116.72 1udl s ILE 38 Ca 0.22 -0.39 -0.31 0.00 -1.41 0.00 0.00 60.65 58.77 1udl s ILE 38 Cb 0.00 -0.79 -0.11 0.00 0.13 0.00 0.00 42.46 41.70 1udl s ILE 38 CO 0.13 0.28 1.58 0.00 -1.91 0.00 0.00 174.94 175.02 1udl s ALA 39 N 0.34 3.78 -0.02 1.50 0.00 -1.25 -0.60 121.76 125.51 1udl s ALA 39 Ca -0.06 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1udl s ALA 39 Cb -0.11 -3.63 -0.24 0.00 0.00 0.00 0.00 23.12 19.14 1udl s ALA 39 CO 0.01 -0.83 0.74 0.52 0.00 0.00 0.00 175.76 176.20 1udl h MET 40 N 6.23 0.07 -3.81 0.00 0.00 -1.54 -1.36 114.93 114.52 1udl h MET 40 Ca -0.44 -0.12 -0.18 0.00 0.00 0.00 0.00 59.70 58.97 1udl h MET 40 Cb 1.21 0.04 -0.23 0.00 0.00 0.00 0.00 31.60 32.62 1udl h MET 40 CO 0.88 0.74 -0.66 0.71 0.00 0.00 0.00 176.91 178.58 1udl s TYR 41 N -2.61 0.14 -0.49 -0.22 1.51 -1.26 -4.83 117.35 109.59 1udl s TYR 41 Ca -0.07 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.43 1udl s TYR 41 Cb 0.08 -0.11 -0.09 0.00 -0.11 0.00 0.00 41.96 41.73 1udl s TYR 41 CO 0.82 -0.16 2.39 -0.40 -1.11 0.00 0.00 175.55 177.10 1udl n ASP 42 N 1.99 2.21 -4.74 2.29 5.75 -1.26 -4.22 116.55 118.58 1udl n ASP 42 Ca -0.20 -0.20 -0.38 0.00 -0.01 0.00 0.00 54.79 54.00 1udl n ASP 42 Cb 0.56 -1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.13 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 10.63 3.55 -0.31 2.11 6.14 0.19 -4.86 117.35 134.80 1udl s TYR 43 Ca 1.05 0.93 0.02 0.00 0.64 0.00 0.00 57.07 59.71 1udl s TYR 43 Cb -0.41 -2.53 0.09 0.00 0.42 0.00 0.00 41.96 39.53 1udl s TYR 43 CO 0.33 0.24 0.05 0.00 0.64 0.00 0.00 175.55 176.80 1udl s ALA 44 N 0.37 2.22 -0.06 3.97 0.00 -1.26 0.41 121.76 127.41 1udl s ALA 44 Ca 0.26 -2.00 -0.31 0.00 0.00 0.00 0.00 51.96 49.92 1udl s ALA 44 Cb -0.16 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 1udl s ALA 44 CO 0.11 -1.59 2.02 0.00 0.00 0.00 0.00 175.76 176.31 1udl n ALA 45 N 4.55 1.47 0.28 0.00 0.00 -1.15 -4.84 120.51 120.83 1udl n ALA 45 Ca -0.01 0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.71 1udl n ALA 45 Cb 0.42 -2.70 0.77 0.00 0.00 0.00 0.00 19.45 17.95 1udl n ALA 45 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1udl h ASN 46 N 11.40 0.00 -3.72 0.00 7.08 -1.92 -3.45 115.58 124.97 1udl h ASN 46 Ca -0.47 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.46 1udl h ASN 46 Cb 1.25 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.42 1udl h ASN 46 CO 0.95 0.04 -0.25 -0.46 -2.08 0.00 0.00 177.43 175.63 1udl n ASN 47 N -3.19 0.77 0.15 6.14 6.94 -1.26 -5.04 115.26 119.77 1udl n ASN 47 Ca -0.00 -2.17 0.12 0.00 -0.02 0.00 0.00 54.58 52.51 1udl n ASN 47 Cb 0.27 0.63 0.25 0.00 -2.36 0.00 0.00 39.78 38.57 1udl n ASN 47 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1udl h GLU 48 N 0.00 0.00 -0.09 -3.83 4.11 -2.03 -3.24 114.58 109.50 1udl h GLU 48 Ca -0.16 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.12 1udl h GLU 48 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1udl h GLU 48 CO 0.25 0.00 -0.59 -0.44 0.07 0.00 0.00 179.01 178.30 1udl h ASP 49 N 0.00 0.33 -2.74 3.06 5.19 -1.96 -3.45 116.42 116.84 1udl h ASP 49 Ca 0.00 -0.18 -0.45 0.00 -0.62 0.00 0.00 57.03 55.77 1udl h ASP 49 Cb 0.87 -0.09 0.08 0.00 0.18 0.00 0.00 39.33 40.37 1udl h ASP 49 CO 0.00 0.84 0.12 -1.61 -3.12 0.00 0.00 179.24 175.47 1udl s GLU 50 N -3.81 1.96 -0.08 3.56 2.02 -1.23 -2.81 118.70 118.32 1udl s GLU 50 Ca -0.05 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.17 1udl s GLU 50 Cb 0.12 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1udl s GLU 50 CO 0.80 -1.26 -0.08 -1.17 0.02 0.00 0.00 175.26 173.57 1udl s LEU 51 N -5.11 3.11 -0.30 1.80 0.20 -0.66 -4.26 118.68 113.45 1udl s LEU 51 Ca 0.63 -0.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.31 1udl s LEU 51 Cb -0.08 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1udl s LEU 51 CO 0.43 0.34 0.10 -0.44 -0.29 0.00 0.00 176.35 176.49 1udl s SER 52 N -0.65 5.27 0.20 3.68 0.01 -1.26 -2.91 113.70 118.03 1udl s SER 52 Ca 0.10 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 1udl s SER 52 Cb -0.11 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 1udl s SER 52 CO 0.02 -0.20 0.23 0.72 0.41 0.00 0.00 173.24 174.42 1udl s PHE 53 N 1.53 0.84 0.22 2.43 -0.12 0.17 -4.92 117.98 118.13 1udl s PHE 53 Ca 0.03 -1.13 0.09 0.00 -0.05 0.00 0.00 56.93 55.87 1udl s PHE 53 Cb -0.17 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1udl s PHE 53 CO 0.04 -0.73 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.34 1udl s SER 54 N -3.09 4.59 -0.22 1.98 0.01 -1.26 -0.64 113.70 115.07 1udl s SER 54 Ca 0.31 -0.54 -0.40 0.00 1.31 0.00 0.00 55.95 56.64 1udl s SER 54 Cb 0.05 -0.90 -0.16 0.00 0.21 0.00 0.00 66.02 65.22 1udl s SER 54 CO 0.09 0.05 1.68 1.17 0.41 0.00 0.00 173.24 176.64 1udl n LYS 55 N -0.46 1.14 -1.67 12.44 4.81 -1.26 -1.19 118.16 131.97 1udl n LYS 55 Ca -0.08 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1udl n LYS 55 Cb 0.57 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 3.92 0.79 3.92 3.14 0.00 -0.51 -4.93 105.19 111.52 1udl n GLY 56 Ca 0.25 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.50 3.22 -0.72 1.61 2.00 -0.33 -4.84 119.66 117.10 1udl s GLN 57 Ca 0.00 0.03 -0.26 0.00 -2.00 0.00 0.00 55.36 53.13 1udl s GLN 57 Cb 0.00 -2.35 0.04 0.00 0.80 0.00 0.00 33.01 31.50 1udl s GLN 57 CO 0.00 -0.42 1.18 -1.17 -0.50 0.00 0.00 175.29 174.38 1udl s LEU 58 N -4.83 3.55 -0.16 3.68 2.96 -1.26 -3.93 118.68 118.69 1udl s LEU 58 Ca 0.50 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1udl s LEU 58 Cb -0.10 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1udl s LEU 58 CO 0.44 -1.71 -0.20 -0.63 -1.32 0.00 0.00 176.35 172.92 1udl s ILE 59 N 5.21 2.10 -0.41 6.68 1.01 -1.25 -4.04 121.20 130.51 1udl s ILE 59 Ca 0.31 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1udl s ILE 59 Cb -0.11 -1.86 0.11 0.00 0.01 0.00 0.00 42.46 40.61 1udl s ILE 59 CO 0.13 0.54 0.21 0.21 0.00 0.00 0.00 174.94 176.03 1udl s ASN 60 N 1.07 5.30 0.18 3.58 3.84 -1.19 -1.58 114.94 126.13 1udl s ASN 60 Ca -0.01 -1.94 -0.33 0.00 0.21 0.00 0.00 52.86 50.80 1udl s ASN 60 Cb -0.14 -1.85 -0.12 0.00 -0.55 0.00 0.00 41.25 38.59 1udl s ASN 60 CO -0.08 -0.54 1.70 0.52 -2.79 0.00 0.00 177.10 175.92 1udl n VAL 61 N 4.64 0.07 -0.01 -5.21 0.31 -0.36 -3.23 118.33 114.54 1udl n VAL 61 Ca -0.04 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.27 1udl n VAL 61 Cb 0.41 -1.88 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 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 4.12 1.70 -3.66 5.55 0.00 0.96 -0.38 117.12 125.41 1udl n MET 62 Ca 0.17 0.01 -0.30 0.00 0.00 0.00 0.00 57.70 57.58 1udl n MET 62 Cb 0.33 -1.03 -0.15 0.00 0.00 0.00 0.00 33.22 32.37 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 -3.72 3.86 -0.33 7.83 -0.87 -1.23 -4.39 114.94 116.09 1udl s ASN 63 Ca -0.02 -1.51 0.07 0.00 -1.57 0.00 0.00 52.86 49.83 1udl s ASN 63 Cb 0.01 -0.68 0.46 0.00 -0.02 0.00 0.00 41.25 41.01 1udl s ASN 63 CO 0.05 -0.42 1.33 2.29 -2.57 0.00 0.00 177.10 177.77 1udl n LYS 64 N 4.99 3.01 -0.30 -0.60 2.85 -1.26 -2.33 118.16 124.52 1udl n LYS 64 Ca -0.03 -3.83 0.22 0.00 -1.05 0.00 0.00 58.31 53.62 1udl n LYS 64 Cb 0.42 -2.13 0.52 0.00 -0.65 0.00 0.00 35.03 33.19 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 1.85 0.41 -3.39 -5.58 3.32 -1.94 -3.37 116.42 107.73 1udl h ASP 65 Ca 0.33 0.07 -0.64 0.00 0.02 0.00 0.00 57.03 56.81 1udl h ASP 65 Cb 1.39 -0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.72 1udl h ASP 65 CO 0.71 0.11 -0.65 -1.81 -1.72 0.00 0.00 179.24 175.88 1udl s ASP 66 N -5.38 4.93 0.00 6.45 1.11 -1.26 -4.97 116.67 117.55 1udl s ASP 66 Ca -0.08 -0.15 0.11 0.00 0.18 0.00 0.00 52.55 52.61 1udl s ASP 66 Cb 0.24 -1.83 0.65 0.00 1.07 0.00 0.00 42.92 43.06 1udl s ASP 66 CO 0.79 0.11 1.09 -0.81 1.18 0.00 0.00 175.17 177.53 1udl n PRO 67 N 3.97 0.49 -0.10 8.23 -0.04 -1.26 -2.89 135.00 143.39 1udl n PRO 67 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1udl n PRO 67 Cb 0.52 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.85 1.94 -3.99 3.54 9.92 -1.26 -4.65 116.55 121.19 1udl n ASP 68 Ca 0.08 0.31 -0.18 0.00 -0.53 0.00 0.00 54.79 54.47 1udl n ASP 68 Cb 0.04 -0.85 -0.15 0.00 -0.64 0.00 0.00 41.12 39.52 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 -2.45 0.71 0.31 1.24 0.52 -1.14 -1.32 118.94 116.81 1udl s TRP 69 Ca -0.31 -0.14 0.10 0.00 0.02 0.00 0.00 56.10 55.76 1udl s TRP 69 Cb 0.09 -0.48 -0.05 0.00 -1.15 0.00 0.00 33.47 31.88 1udl s TRP 69 CO 0.59 -0.03 -0.08 -1.58 0.02 0.00 0.00 176.95 175.87 1udl s TRP 70 N -0.07 2.45 -0.12 -1.98 0.51 0.79 -4.33 118.94 116.18 1udl s TRP 70 Ca 0.01 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.63 1udl s TRP 70 Cb -0.04 -1.27 -0.00 0.00 -0.81 0.00 0.00 33.47 31.35 1udl s TRP 70 CO -0.00 0.60 -0.21 -1.14 -0.51 0.00 0.00 176.95 175.69 1udl s GLN 71 N -3.62 3.13 0.27 4.98 0.74 -0.98 -2.62 119.66 121.55 1udl s GLN 71 Ca 0.32 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1udl s GLN 71 Cb -0.02 -2.42 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 1udl s GLN 71 CO 0.17 0.15 0.21 0.20 -0.55 0.00 0.00 175.29 175.47 1udl s GLY 72 N 0.45 1.87 0.17 2.59 0.00 -1.26 -0.03 107.32 111.12 1udl s GLY 72 Ca -0.15 -1.88 0.11 0.00 0.00 0.00 0.00 44.72 42.80 1udl s GLY 72 CO 0.06 -1.42 -0.23 -1.83 0.00 0.00 0.00 173.10 169.68 1udl s GLU 73 N -3.79 1.43 -0.25 2.90 -1.05 -1.20 -3.55 118.70 113.18 1udl s GLU 73 Ca 0.40 -1.46 -0.02 0.00 -0.15 0.00 0.00 54.97 53.74 1udl s GLU 73 Cb 0.05 -1.72 0.12 0.00 -0.44 0.00 0.00 34.13 32.14 1udl s GLU 73 CO 0.20 0.37 0.28 0.42 0.95 0.00 0.00 175.26 177.48 1udl s ILE 74 N -1.63 -0.40 -1.38 1.83 1.01 0.14 -3.16 121.20 117.60 1udl s ILE 74 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1udl s ILE 74 Cb -0.08 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.57 1udl s ILE 74 CO 0.08 -0.33 1.05 0.59 0.00 0.00 0.00 174.94 176.33 1udl n ASN 75 N 5.32 -4.71 -0.04 3.58 3.02 -1.26 -1.31 115.26 119.85 1udl n ASN 75 Ca -0.04 -0.65 -0.01 0.00 -0.03 0.00 0.00 54.58 53.85 1udl n ASN 75 Cb 0.48 -4.60 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -1.74 0.46 3.36 7.41 0.00 -1.26 -5.03 105.19 108.38 1udl n GLY 76 Ca -0.06 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.01 2.95 0.06 1.61 0.11 -0.43 -5.12 120.40 117.57 1udl s VAL 77 Ca 0.00 -0.70 0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1udl s VAL 77 Cb 0.00 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1udl s VAL 77 CO 0.00 0.53 -0.14 0.42 -3.33 0.00 0.00 175.10 172.58 1udl s THR 78 N 0.34 3.10 0.00 5.04 -4.23 -1.26 0.25 115.64 118.88 1udl s THR 78 Ca -0.12 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1udl s THR 78 Cb -0.16 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1udl s THR 78 CO 0.06 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1udl n GLY 79 N 1.28 2.77 2.96 3.99 0.00 -1.23 -4.88 105.19 110.08 1udl n GLY 79 Ca -0.15 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.12 -4.32 118.68 117.52 1udl s LEU 80 Ca 0.00 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 1udl s LEU 80 Cb 0.00 -0.37 0.04 0.00 0.03 0.00 0.00 46.19 45.89 1udl s LEU 80 CO 0.00 0.04 0.43 0.72 0.23 0.00 0.00 176.35 177.77 1udl s PHE 81 N 0.14 -0.29 0.45 0.29 -0.12 -1.08 -1.66 117.98 115.73 1udl s PHE 81 Ca -0.02 0.24 -0.23 0.00 -0.05 0.00 0.00 56.93 56.88 1udl s PHE 81 Cb -0.06 0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 1udl s PHE 81 CO -0.00 -0.59 1.17 -1.25 -0.05 0.00 0.00 175.22 174.49 1udl s PRO 82 N -2.56 3.78 0.00 1.99 0.04 -1.26 -0.15 135.00 136.83 1udl s PRO 82 Ca -0.05 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.83 1udl s PRO 82 Cb -0.01 -2.43 0.32 0.00 0.04 0.00 0.00 34.50 32.42 1udl s PRO 82 CO -0.03 -0.54 1.07 -1.13 0.04 0.00 0.00 177.00 176.42 1udl n SER 83 N -0.44 0.00 -0.00 6.66 3.41 -0.43 -2.54 113.62 120.28 1udl n SER 83 Ca 0.07 -1.54 0.09 0.00 -0.26 0.00 0.00 58.87 57.23 1udl n SER 83 Cb 0.48 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.60 0.84 -1.44 4.04 4.13 -1.26 -4.27 115.26 116.69 1udl n ASN 84 Ca 0.04 -0.55 0.06 0.00 1.68 0.00 0.00 54.58 55.82 1udl n ASN 84 Cb 0.02 1.33 0.30 0.00 -1.54 0.00 0.00 39.78 39.89 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 -1.70 1.39 -3.99 3.10 4.02 -1.05 -4.90 117.16 114.03 1udl n TYR 85 Ca 0.01 -0.51 -0.09 0.00 -0.01 0.00 0.00 57.90 57.29 1udl n TYR 85 Cb 0.35 -0.31 -0.11 0.00 -0.02 0.00 0.00 39.34 39.26 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 -2.06 0.13 -0.03 -0.72 -7.23 -1.26 -1.32 120.40 107.91 1udl s VAL 86 Ca 0.41 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1udl s VAL 86 Cb 0.29 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1udl s VAL 86 CO 0.16 -0.59 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.49 1udl s LYS 87 N -1.98 1.27 -0.19 4.82 2.47 0.23 -4.88 119.74 121.48 1udl s LYS 87 Ca -0.11 -0.40 -0.32 0.00 -1.56 0.00 0.00 55.97 53.58 1udl s LYS 87 Cb -0.06 -1.14 -0.09 0.00 -1.46 0.00 0.00 37.83 35.08 1udl s LYS 87 CO -0.03 0.15 2.10 -1.33 0.16 0.00 0.00 175.35 176.40 1udl n MET 88 N 3.29 1.90 -0.17 4.03 2.81 -1.26 -1.34 117.12 126.39 1udl n MET 88 Ca -0.19 0.60 -0.02 0.00 -1.81 0.00 0.00 57.70 56.29 1udl n MET 88 Cb 0.54 -2.87 0.07 0.00 -0.71 0.00 0.00 33.22 30.24 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 6.54 0.66 -4.19 2.03 1.35 -1.87 -3.46 112.91 113.97 1udl h THR 89 Ca -0.41 -0.07 -0.40 0.00 -0.55 0.00 0.00 66.41 64.99 1udl h THR 89 Cb 1.27 0.45 0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1udl h THR 89 CO 0.97 0.03 -0.58 0.41 -0.25 0.00 0.00 175.52 176.10 1udl n THR 90 N -5.16 -1.67 -1.98 6.82 -1.04 -1.26 -4.91 114.28 105.08 1udl n THR 90 Ca 0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 1udl n THR 90 Cb 0.27 -3.21 -0.03 0.00 -1.82 0.00 0.00 70.33 65.54 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 -2.53 6.64 -0.37 8.00 2.15 -1.26 -4.98 116.67 124.32 1udl s ASP 91 Ca 0.23 2.49 -0.11 0.00 0.43 0.00 0.00 52.55 55.59 1udl s ASP 91 Cb -0.10 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1udl s ASP 91 CO 0.29 -0.82 0.21 -0.44 -0.17 0.00 0.00 175.17 174.24 1udl s SER 92 N 1.72 5.77 0.20 -0.34 0.01 -1.26 -5.08 113.70 114.72 1udl s SER 92 Ca 0.71 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 57.14 1udl s SER 92 Cb -0.40 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1udl s SER 92 CO 0.31 -0.35 0.25 -0.55 0.41 0.00 0.00 173.24 173.31 1udl s SER 93 N 1.59 5.95 0.00 2.44 0.15 -1.26 -5.01 113.70 117.56 1udl s SER 93 Ca 0.03 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1udl s SER 93 Cb -0.19 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1udl s SER 93 CO 0.07 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1udl n GLY 94 N -0.88 -2.13 3.64 9.45 0.00 -1.26 -4.84 105.19 109.18 1udl n GLY 94 Ca -0.08 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.16 3.99 -0.64 1.61 0.04 -1.26 -4.96 135.00 133.62 1udl s PRO 95 Ca 0.00 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1udl s PRO 95 Cb 0.00 -3.98 0.03 0.00 0.04 0.00 0.00 34.50 30.60 1udl s PRO 95 CO 0.00 -1.05 1.18 -1.54 0.04 0.00 0.00 177.00 175.63 1udl s SER 96 N 3.57 6.31 -0.22 6.66 1.04 -1.26 -5.00 113.70 124.80 1udl s SER 96 Ca 0.69 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1udl s SER 96 Cb -0.27 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 1udl s SER 96 CO 0.27 -1.58 0.30 -0.55 0.98 0.00 0.00 173.24 172.66 1udl s SER 97 N 3.29 6.29 0.00 7.02 0.15 -1.26 -5.26 113.70 123.94 1udl s SER 97 Ca 0.37 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1udl s SER 97 Cb -0.09 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1udl s SER 97 CO 0.20 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.22