#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu n SER 2 N 0.00 0.17 -4.08 1.61 3.41 -1.26 -5.09 113.62 108.38 1wfu n SER 2 Ca 0.00 0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.31 1wfu n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wfu n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfu n SER 3 N -3.00 -2.97 0.00 4.04 2.88 -1.26 -4.94 113.62 108.37 1wfu n SER 3 Ca 0.00 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1wfu n SER 3 Cb 0.19 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1wfu n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 4 N 2.28 -1.18 3.57 0.46 0.00 -1.26 -5.17 105.19 103.89 1wfu n GLY 4 Ca 0.10 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1wfu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfu s SER 5 N -1.41 4.37 0.90 1.61 0.01 -1.26 -5.13 113.70 112.79 1wfu s SER 5 Ca 0.00 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 1wfu s SER 5 Cb 0.00 -0.84 0.16 0.00 0.21 0.00 0.00 66.02 65.55 1wfu s SER 5 CO 0.00 0.19 1.26 -0.44 0.41 0.00 0.00 173.24 174.66 1wfu s SER 6 N -2.07 3.62 0.00 2.44 0.01 -1.26 -5.05 113.70 111.39 1wfu s SER 6 Ca 0.20 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1wfu s SER 6 Cb -0.11 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1wfu s SER 6 CO 0.12 -2.42 0.00 0.61 0.41 0.00 0.00 173.24 171.96 1wfu n GLY 7 N -3.57 2.94 3.58 3.44 0.00 -1.26 -5.02 105.19 105.30 1wfu n GLY 7 Ca 0.13 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 1wfu n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wfu s MET 8 N -1.95 2.85 -0.01 1.61 1.00 -1.26 -4.95 119.30 116.60 1wfu s MET 8 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 55.69 56.97 1wfu s MET 8 Cb 0.00 -4.35 -0.00 0.00 0.00 0.00 0.00 34.83 30.47 1wfu s MET 8 CO 0.00 -2.43 -0.05 -1.21 0.00 0.00 0.00 175.02 171.33 1wfu s GLU 9 N 6.68 0.43 0.29 2.03 0.41 -1.26 -5.16 118.70 122.12 1wfu s GLU 9 Ca 0.83 -0.16 -0.05 0.00 -0.41 0.00 0.00 54.97 55.17 1wfu s GLU 9 Cb -0.20 -0.43 0.07 0.00 -1.78 0.00 0.00 34.13 31.79 1wfu s GLU 9 CO 0.28 0.08 0.26 -0.35 -0.49 0.00 0.00 175.26 175.05 1wfu n PRO 10 N 3.09 -1.53 -3.68 0.39 -0.04 -1.26 -5.10 135.00 126.87 1wfu n PRO 10 Ca -0.14 -0.42 -0.15 0.00 -0.04 0.00 0.00 63.50 62.75 1wfu n PRO 10 Cb 0.57 -0.39 -0.08 0.00 -0.04 0.00 0.00 33.50 33.56 1wfu n PRO 10 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wfu s HIS 11 N -1.47 -0.44 -0.01 0.54 -3.43 -1.26 -4.89 115.29 104.33 1wfu s HIS 11 Ca 0.17 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.32 1wfu s HIS 11 Cb -0.02 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 1wfu s HIS 11 CO 0.13 -0.40 0.00 0.36 -2.00 0.00 0.00 174.74 172.83 1wfu n LYS 12 N 1.77 -2.03 -3.63 -0.38 2.85 -1.26 -4.75 118.16 110.73 1wfu n LYS 12 Ca -0.18 0.01 -0.04 0.00 -1.05 0.00 0.00 58.31 57.04 1wfu n LYS 12 Cb 0.56 -4.27 -0.06 0.00 -0.65 0.00 0.00 35.03 30.62 1wfu n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfu s VAL 13 N -1.53 0.00 -0.16 0.58 0.11 -1.26 -5.16 120.40 112.99 1wfu s VAL 13 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1wfu s VAL 13 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1wfu s VAL 13 CO 0.00 0.00 -0.20 0.54 -3.33 0.00 0.00 175.10 172.11 1wfu s VAL 14 N -0.50 2.17 0.96 2.04 0.11 -1.26 -4.71 120.40 119.21 1wfu s VAL 14 Ca 0.06 -0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 58.06 1wfu s VAL 14 Cb -0.03 -1.89 0.17 0.00 -1.53 0.00 0.00 36.38 33.10 1wfu s VAL 14 CO -0.09 0.54 1.09 -2.16 -3.33 0.00 0.00 175.10 171.15 1wfu s PRO 15 N 1.01 0.73 0.54 1.54 0.04 -1.26 -4.96 135.00 132.64 1wfu s PRO 15 Ca -0.02 0.64 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1wfu s PRO 15 Cb -0.15 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wfu s PRO 15 CO -0.06 -2.55 0.77 -0.48 0.04 0.00 0.00 177.00 174.72 1wfu s LEU 16 N -6.38 3.30 0.64 -3.56 2.34 -1.26 -5.06 118.68 108.71 1wfu s LEU 16 Ca 0.65 0.05 -0.17 0.00 0.06 0.00 0.00 54.13 54.72 1wfu s LEU 16 Cb -0.18 -2.92 -0.01 0.00 -0.56 0.00 0.00 46.19 42.52 1wfu s LEU 16 CO 0.57 -1.10 1.17 -0.44 -1.06 0.00 0.00 176.35 175.49 1wfu s SER 17 N -4.40 4.96 0.13 1.48 0.01 -1.26 -4.82 113.70 109.79 1wfu s SER 17 Ca 0.56 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.77 1wfu s SER 17 Cb -0.10 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1wfu s SER 17 CO 0.39 -1.74 1.04 -0.54 0.41 0.00 0.00 173.24 172.79 1wfu s LYS 18 N -3.70 4.63 0.71 12.44 3.01 -1.26 -4.69 119.74 130.89 1wfu s LYS 18 Ca 0.73 1.59 -0.13 0.00 -1.01 0.00 0.00 55.97 57.15 1wfu s LYS 18 Cb -0.26 -3.34 0.03 0.00 -1.01 0.00 0.00 37.83 33.25 1wfu s LYS 18 CO 0.38 0.11 1.10 -1.25 0.51 0.00 0.00 175.35 176.20 1wfu s PRO 19 N -0.02 2.54 0.34 -1.68 0.04 -1.26 -5.02 135.00 129.93 1wfu s PRO 19 Ca 0.49 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1wfu s PRO 19 Cb -0.26 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1wfu s PRO 19 CO 0.32 -1.44 0.56 -1.01 0.04 0.00 0.00 177.00 175.47 1wfu s HIS 20 N -2.61 3.50 0.31 0.56 3.76 -1.26 -4.29 115.29 115.25 1wfu s HIS 20 Ca 0.64 0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 55.73 1wfu s HIS 20 Cb -0.19 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 1wfu s HIS 20 CO 0.49 0.11 1.23 -1.25 -0.85 0.00 0.00 174.74 174.46 1wfu s PRO 21 N -4.10 4.46 0.48 8.40 0.04 -1.26 -4.87 135.00 138.16 1wfu s PRO 21 Ca 0.42 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 1wfu s PRO 21 Cb -0.10 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 1wfu s PRO 21 CO 0.35 -0.04 1.16 -1.25 0.04 0.00 0.00 177.00 177.26 1wfu s PRO 22 N -1.64 3.66 0.24 0.56 0.04 -1.26 -4.96 135.00 131.64 1wfu s PRO 22 Ca 0.47 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 1wfu s PRO 22 Cb -0.37 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 1wfu s PRO 22 CO 0.48 -0.63 0.59 0.08 0.04 0.00 0.00 177.00 177.57 1wfu s VAL 23 N -1.60 4.86 -0.57 -0.36 1.01 -0.88 -4.86 120.40 117.99 1wfu s VAL 23 Ca 0.66 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 1wfu s VAL 23 Cb -0.27 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.62 1wfu s VAL 23 CO 0.33 -0.05 0.43 -0.69 0.00 0.00 0.00 175.10 175.11 1wfu s VAL 24 N -1.80 4.18 0.00 2.92 1.01 -1.26 -1.60 120.40 123.84 1wfu s VAL 24 Ca 0.48 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1wfu s VAL 24 Cb -0.12 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wfu s VAL 24 CO 0.20 -0.84 0.18 0.61 0.00 0.00 0.00 175.10 175.25 1wfu n GLY 25 N 4.27 -0.33 3.75 4.51 0.00 -1.22 -4.83 105.19 111.35 1wfu n GLY 25 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1wfu n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfu s LYS 26 N -0.36 4.54 -0.28 1.61 2.20 -1.26 -4.96 119.74 121.22 1wfu s LYS 26 Ca 0.00 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1wfu s LYS 26 Cb 0.00 -3.33 0.09 0.00 -1.51 0.00 0.00 37.83 33.07 1wfu s LYS 26 CO 0.00 0.37 0.04 0.08 -0.36 0.00 0.00 175.35 175.48 1wfu s VAL 27 N -0.40 1.31 0.43 4.02 1.01 -1.26 -1.07 120.40 124.44 1wfu s VAL 27 Ca 0.38 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1wfu s VAL 27 Cb -0.22 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1wfu s VAL 27 CO 0.25 -0.46 0.29 0.42 0.00 0.00 0.00 175.10 175.60 1wfu s THR 28 N 1.43 2.35 -2.10 3.92 -4.23 -0.94 -4.64 115.64 111.43 1wfu s THR 28 Ca 0.05 -1.52 0.15 0.00 -1.18 0.00 0.00 61.69 59.18 1wfu s THR 28 Cb -0.18 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.15 1wfu s THR 28 CO -0.15 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.31 1wfu n HIS 29 N -1.44 0.34 0.00 3.99 1.44 -1.26 -3.13 115.22 115.15 1wfu n HIS 29 Ca 0.01 -0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1wfu n HIS 29 Cb 0.63 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.74 1wfu n HIS 29 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1wfu n HIS 30 N 0.37 0.00 -3.97 -1.40 -0.00 -1.26 -2.93 115.22 106.03 1wfu n HIS 30 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.75 1wfu n HIS 30 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wfu s SER 31 N -2.91 0.13 -0.06 4.39 0.01 -1.25 -0.84 113.70 113.16 1wfu s SER 31 Ca 0.00 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.22 1wfu s SER 31 Cb 0.00 0.67 0.02 0.00 0.21 0.00 0.00 66.02 66.92 1wfu s SER 31 CO 0.00 -1.30 -0.06 -0.63 0.41 0.00 0.00 173.24 171.66 1wfu s ILE 32 N -3.48 0.70 0.17 1.44 1.01 -0.91 -2.22 121.20 117.92 1wfu s ILE 32 Ca 0.21 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1wfu s ILE 32 Cb -0.02 -0.72 -0.08 0.00 0.01 0.00 0.00 42.46 41.65 1wfu s ILE 32 CO 0.12 0.28 0.81 -0.70 0.00 0.00 0.00 174.94 175.44 1wfu s GLU 33 N 1.14 4.62 -0.05 2.79 2.12 -0.23 -1.33 118.70 127.76 1wfu s GLU 33 Ca -0.07 1.22 -0.06 0.00 0.36 0.00 0.00 54.97 56.42 1wfu s GLU 33 Cb -0.14 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1wfu s GLU 33 CO -0.01 0.55 0.17 -0.51 -0.54 0.00 0.00 175.26 174.91 1wfu s LEU 34 N -1.09 1.38 -0.19 2.70 1.43 -1.00 -3.37 118.68 118.54 1wfu s LEU 34 Ca 0.37 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1wfu s LEU 34 Cb -0.24 0.61 0.08 0.00 0.03 0.00 0.00 46.19 46.68 1wfu s LEU 34 CO 0.27 -0.12 0.41 -0.72 0.23 0.00 0.00 176.35 176.42 1wfu s TYR 35 N -0.21 -0.73 -0.85 0.29 1.13 -0.63 0.13 117.35 116.49 1wfu s TYR 35 Ca -0.03 1.44 0.10 0.00 -1.41 0.00 0.00 57.07 57.17 1wfu s TYR 35 Cb -0.02 0.27 0.29 0.00 -1.10 0.00 0.00 41.96 41.40 1wfu s TYR 35 CO 0.01 -0.44 1.24 -2.67 -2.51 0.00 0.00 175.55 171.17 1wfu n TRP 36 N 5.16 0.45 -0.22 -3.49 2.14 -0.71 -2.08 117.44 118.69 1wfu n TRP 36 Ca -0.11 -0.51 0.28 0.00 2.07 0.00 0.00 57.50 59.23 1wfu n TRP 36 Cb 0.51 -0.04 0.43 0.00 -0.81 0.00 0.00 31.31 31.40 1wfu n TRP 36 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 1wfu n ASP 37 N 0.43 0.00 -0.30 -0.67 5.75 -1.26 -0.99 116.55 119.51 1wfu n ASP 37 Ca 0.11 0.75 -0.05 0.00 -0.01 0.00 0.00 54.79 55.59 1wfu n ASP 37 Cb 0.43 -0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1wfu h LEU 38 N 0.00 -1.48 -2.31 -2.12 3.38 -1.96 1.48 115.31 112.29 1wfu h LEU 38 Ca 0.49 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.74 1wfu h LEU 38 Cb 2.89 0.72 -0.00 0.00 0.09 0.00 0.00 40.66 44.37 1wfu h LEU 38 CO -0.01 -0.30 -0.03 -0.33 0.09 0.00 0.00 178.44 177.86 1wfu h GLU 39 N -0.09 0.00 -3.71 1.13 5.08 -1.46 -3.29 114.58 112.23 1wfu h GLU 39 Ca 0.26 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.86 1wfu h GLU 39 Cb 0.56 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.64 1wfu h GLU 39 CO -0.84 0.03 1.76 1.04 -1.00 0.00 0.00 179.01 180.00 1wfu n GLN 40 N -3.32 3.64 -0.01 2.33 3.00 0.50 -4.63 117.38 118.89 1wfu n GLN 40 Ca -0.02 -3.70 -0.02 0.00 -0.01 0.00 0.00 57.00 53.26 1wfu n GLN 40 Cb 0.17 -2.91 -0.01 0.00 0.00 0.00 0.00 30.24 27.50 1wfu n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wfu n LYS 41 N 4.00 0.09 -1.37 -1.09 4.76 -1.24 -4.94 118.16 118.36 1wfu n LYS 41 Ca 0.38 0.04 -0.54 0.00 -2.87 0.00 0.00 58.31 55.32 1wfu n LYS 41 Cb 0.37 -0.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.96 1wfu n LYS 41 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wfu n GLU 42 N -2.94 0.00 -1.48 1.97 4.07 -1.26 -4.77 120.64 116.23 1wfu n GLU 42 Ca -0.02 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.67 1wfu n GLU 42 Cb 0.09 -1.30 0.02 0.00 -0.06 0.00 0.00 31.44 30.19 1wfu n GLU 42 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wfu n LYS 43 N 2.03 0.65 -1.57 5.31 4.76 -1.26 -4.75 118.16 123.33 1wfu n LYS 43 Ca 0.21 0.24 -0.45 0.00 -2.87 0.00 0.00 58.31 55.44 1wfu n LYS 43 Cb 0.03 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.54 1wfu n LYS 43 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1wfu n ARG 44 N 0.31 1.81 -2.74 1.97 0.00 -1.26 -4.90 116.66 111.85 1wfu n ARG 44 Ca 0.11 0.51 -0.42 0.00 -0.00 0.00 0.00 57.85 58.05 1wfu n ARG 44 Cb 0.42 -3.03 -0.04 0.00 -0.00 0.00 0.00 32.46 29.82 1wfu n ARG 44 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wfu s GLN 45 N 6.15 3.32 1.45 2.89 -0.21 -1.26 -4.88 119.66 127.12 1wfu s GLN 45 Ca 1.02 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1wfu s GLN 45 Cb -0.48 -4.09 0.00 0.00 1.00 0.00 0.00 33.01 29.45 1wfu s GLN 45 CO 0.39 -1.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.30 1wfu n GLY 46 N 5.17 -1.74 3.74 3.09 0.00 -1.26 -4.67 105.19 109.51 1wfu n GLY 46 Ca 0.03 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1wfu n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 47 N 0.00 1.62 0.29 1.61 0.04 -1.26 -4.84 135.00 132.46 1wfu s PRO 47 Ca 0.00 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1wfu s PRO 47 Cb 0.00 -1.84 0.69 0.00 0.04 0.00 0.00 34.50 33.39 1wfu s PRO 47 CO 0.00 -2.02 1.64 0.37 0.04 0.00 0.00 177.00 177.03 1wfu h GLN 48 N -1.40 0.18 -1.19 4.56 4.15 -1.98 0.50 115.11 119.94 1wfu h GLN 48 Ca -0.47 -0.01 0.35 0.00 0.77 0.00 0.00 58.65 59.29 1wfu h GLN 48 Cb 1.26 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.81 1wfu h GLN 48 CO 0.53 0.12 0.78 0.93 -1.93 0.00 0.00 178.83 179.27 1wfu h GLU 49 N 0.19 0.21 -1.12 1.69 5.08 -1.96 0.82 114.58 119.49 1wfu h GLU 49 Ca 0.54 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.74 1wfu h GLU 49 Cb 1.09 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 1wfu h GLU 49 CO -0.67 0.14 0.20 1.04 -1.00 0.00 0.00 179.01 178.72 1wfu n GLN 50 N -4.58 1.37 -3.81 2.33 1.13 0.18 -4.87 117.38 109.13 1wfu n GLN 50 Ca 0.30 -0.86 -0.21 0.00 -1.94 0.00 0.00 57.00 54.29 1wfu n GLN 50 Cb 1.17 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 30.15 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1wfu s TRP 51 N -0.96 2.93 0.49 1.08 0.52 0.29 -4.67 118.94 118.62 1wfu s TRP 51 Ca 0.16 -0.28 -0.07 0.00 0.02 0.00 0.00 56.10 55.93 1wfu s TRP 51 Cb 0.14 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1wfu s TRP 51 CO 0.03 0.19 0.82 -0.51 0.02 0.00 0.00 176.95 177.50 1wfu s LEU 52 N -4.00 3.61 0.03 2.99 1.43 -1.26 -4.65 118.68 116.83 1wfu s LEU 52 Ca 0.41 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 1wfu s LEU 52 Cb -0.06 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 1wfu s LEU 52 CO 0.27 -0.58 -0.00 -0.60 0.23 0.00 0.00 176.35 175.66 1wfu s ARG 53 N -4.60 2.70 -0.20 1.70 3.52 -1.23 -4.70 118.95 116.14 1wfu s ARG 53 Ca 0.50 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1wfu s ARG 53 Cb -0.10 -2.62 0.06 0.00 -1.56 0.00 0.00 34.95 30.72 1wfu s ARG 53 CO 0.43 0.60 -0.01 -0.06 -0.81 0.00 0.00 175.30 175.45 1wfu s PHE 54 N -1.15 1.52 -0.29 5.12 0.08 -0.19 -3.19 117.98 119.89 1wfu s PHE 54 Ca 0.21 -1.13 -0.03 0.00 0.12 0.00 0.00 56.93 56.10 1wfu s PHE 54 Cb -0.12 -1.23 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1wfu s PHE 54 CO 0.12 -0.65 0.02 -1.12 -0.10 0.00 0.00 175.22 173.49 1wfu s SER 55 N 1.69 4.86 0.07 1.36 0.01 -0.89 -1.98 113.70 118.82 1wfu s SER 55 Ca -0.02 -1.06 -0.15 0.00 1.31 0.00 0.00 55.95 56.03 1wfu s SER 55 Cb -0.17 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.24 1wfu s SER 55 CO -0.07 -0.23 0.49 -0.63 0.41 0.00 0.00 173.24 173.21 1wfu s ILE 56 N 1.34 4.91 0.26 1.44 -1.09 0.18 -2.31 121.20 125.94 1wfu s ILE 56 Ca -0.02 0.88 0.03 0.00 -2.23 0.00 0.00 60.65 59.31 1wfu s ILE 56 Cb -0.19 -3.76 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1wfu s ILE 56 CO -0.01 0.44 0.03 -1.61 -1.23 0.00 0.00 174.94 172.56 1wfu s GLU 57 N -1.45 1.45 -0.00 2.79 2.02 -1.01 -0.97 118.70 121.53 1wfu s GLU 57 Ca 0.30 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1wfu s GLU 57 Cb -0.17 -0.64 -0.00 0.00 0.10 0.00 0.00 34.13 33.42 1wfu s GLU 57 CO 0.17 -0.15 -0.01 -1.83 0.02 0.00 0.00 175.26 173.45 1wfu s GLU 58 N -3.90 0.12 0.55 1.61 4.04 0.25 -2.37 118.70 119.01 1wfu s GLU 58 Ca 0.32 -0.07 -0.08 0.00 0.04 0.00 0.00 54.97 55.18 1wfu s GLU 58 Cb 0.07 -0.10 -0.04 0.00 0.02 0.00 0.00 34.13 34.08 1wfu s GLU 58 CO 0.12 0.03 0.91 -2.00 -1.84 0.00 0.00 175.26 172.47 1wfu s GLU 59 N -0.08 3.53 -0.18 -4.83 2.12 -1.17 -0.89 118.70 117.20 1wfu s GLU 59 Ca -0.00 0.45 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 1wfu s GLU 59 Cb -0.01 -2.23 -0.01 0.00 0.26 0.00 0.00 34.13 32.15 1wfu s GLU 59 CO -0.00 -0.41 -0.09 0.34 -0.54 0.00 0.00 175.26 174.56 1wfu s ASP 60 N -4.15 4.08 0.55 -1.70 -1.08 -0.01 -4.81 116.67 109.56 1wfu s ASP 60 Ca 0.51 -0.39 0.34 0.00 -0.52 0.00 0.00 52.55 52.49 1wfu s ASP 60 Cb -0.11 -1.67 1.41 0.00 -1.46 0.00 0.00 42.92 41.10 1wfu s ASP 60 CO 0.49 0.05 2.00 1.55 0.52 0.00 0.00 175.17 179.78 1wfu h PRO 61 N 7.58 0.00 0.00 4.34 0.13 -1.97 0.34 132.00 142.42 1wfu h PRO 61 Ca -0.37 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 1wfu h PRO 61 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1wfu h PRO 61 CO 0.59 0.01 -1.61 0.36 -0.23 0.00 0.00 178.00 177.12 1wfu n LYS 62 N -3.10 0.25 0.17 0.86 2.85 -1.26 -4.62 118.16 113.31 1wfu n LYS 62 Ca 0.00 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 1wfu n LYS 62 Cb 0.30 -1.08 0.24 0.00 -0.65 0.00 0.00 35.03 33.84 1wfu n LYS 62 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1wfu h MET 63 N -0.17 0.00 -5.37 -1.58 2.86 -1.98 -3.47 114.93 105.22 1wfu h MET 63 Ca -0.26 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.98 1wfu h MET 63 Cb 1.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1wfu h MET 63 CO -0.10 0.00 -0.61 0.72 1.06 0.00 0.00 176.91 177.98 1wfu n HIS 64 N -2.79 -1.97 -4.18 -0.22 8.25 0.12 -4.93 115.22 109.50 1wfu n HIS 64 Ca 0.04 0.58 -0.15 0.00 -0.26 0.00 0.00 57.72 57.94 1wfu n HIS 64 Cb 0.50 -3.62 -0.11 0.00 1.12 0.00 0.00 29.99 27.87 1wfu n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfu s SER 65 N -2.85 1.51 0.16 0.41 0.15 -1.25 -4.80 113.70 107.03 1wfu s SER 65 Ca 0.43 -0.81 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 1wfu s SER 65 Cb -0.22 -0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 1wfu s SER 65 CO 0.53 -0.25 0.38 -0.31 1.20 0.00 0.00 173.24 174.80 1wfu s TYR 66 N -2.40 3.48 -0.08 3.44 1.51 -1.26 -0.83 117.35 121.20 1wfu s TYR 66 Ca 0.06 0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1wfu s TYR 66 Cb -0.03 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1wfu s TYR 66 CO 0.00 0.41 0.20 0.20 -1.11 0.00 0.00 175.55 175.26 1wfu s GLY 67 N -2.66 -0.12 -0.67 0.71 0.00 -0.07 -4.90 107.32 99.61 1wfu s GLY 67 Ca 0.40 0.73 -0.26 0.00 0.00 0.00 0.00 44.72 45.59 1wfu s GLY 67 CO 0.26 0.84 1.96 0.14 0.00 0.00 0.00 173.10 176.31 1wfu s VAL 68 N 0.70 3.32 0.13 1.40 1.01 -1.26 -0.58 120.40 125.12 1wfu s VAL 68 Ca -0.05 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1wfu s VAL 68 Cb -0.06 -3.81 -0.17 0.00 0.00 0.00 0.00 36.38 32.34 1wfu s VAL 68 CO -0.04 -0.78 1.32 0.16 0.00 0.00 0.00 175.10 175.76 1wfu h ILE 69 N 7.09 1.37 -3.58 2.22 3.07 -1.36 -3.46 117.51 122.85 1wfu h ILE 69 Ca -0.17 -2.30 -0.18 0.00 1.55 0.00 0.00 64.86 63.76 1wfu h ILE 69 Cb 1.13 2.29 -0.24 0.00 -0.27 0.00 0.00 36.82 39.73 1wfu h ILE 69 CO 1.20 0.69 -0.59 -0.47 -1.05 0.00 0.00 178.15 177.94 1wfu s TYR 70 N -3.41 -0.00 -0.22 0.16 5.04 -1.02 -5.02 117.35 112.88 1wfu s TYR 70 Ca -0.07 0.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.54 1wfu s TYR 70 Cb 0.09 -0.03 0.11 0.00 0.35 0.00 0.00 41.96 42.49 1wfu s TYR 70 CO 0.87 -0.14 0.40 -0.08 -1.34 0.00 0.00 175.55 175.26 1wfu s THR 71 N -0.59 -0.63 0.00 4.34 -1.32 -1.26 0.50 115.64 116.68 1wfu s THR 71 Ca -0.07 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1wfu s THR 71 Cb -0.04 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 1wfu s THR 71 CO 0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1wfu n GLY 72 N 5.38 2.33 0.58 6.08 0.00 -0.84 -5.00 105.19 113.71 1wfu n GLY 72 Ca -0.06 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1wfu n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wfu n TYR 73 N 0.00 0.00 -2.53 1.61 4.02 -1.26 -1.02 117.16 117.97 1wfu n TYR 73 Ca 0.00 -1.14 -0.11 0.00 -0.01 0.00 0.00 57.90 56.63 1wfu n TYR 73 Cb 0.00 -0.20 0.06 0.00 -0.02 0.00 0.00 39.34 39.18 1wfu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfu n ALA 74 N -0.91 0.19 0.00 -0.72 0.00 -1.26 -4.95 120.51 112.86 1wfu n ALA 74 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1wfu n ALA 74 Cb 0.74 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1wfu n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wfu n THR 75 N -2.05 0.00 -3.10 0.00 -2.24 -1.26 -4.79 114.28 100.83 1wfu n THR 75 Ca 0.08 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.60 1wfu n THR 75 Cb 0.30 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1wfu n THR 75 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfu s ARG 76 N -1.96 3.55 -0.30 -0.78 3.52 -1.26 -1.73 118.95 119.99 1wfu s ARG 76 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 1wfu s ARG 76 Cb 0.00 -2.55 0.19 0.00 -1.56 0.00 0.00 34.95 31.02 1wfu s ARG 76 CO 0.00 0.04 0.78 -1.58 -0.81 0.00 0.00 175.30 173.73 1wfu s HIS 77 N -2.41 -1.20 -0.55 5.12 2.46 0.12 -4.95 115.29 113.89 1wfu s HIS 77 Ca 0.44 1.16 -0.17 0.00 0.47 0.00 0.00 55.06 56.95 1wfu s HIS 77 Cb -0.10 0.38 0.11 0.00 -0.13 0.00 0.00 32.58 32.84 1wfu s HIS 77 CO 0.37 -0.66 0.58 0.08 -2.47 0.00 0.00 174.74 172.64 1wfu s VAL 78 N 2.89 5.04 -0.24 0.89 1.01 -1.26 -2.37 120.40 126.36 1wfu s VAL 78 Ca 0.13 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1wfu s VAL 78 Cb -0.12 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1wfu s VAL 78 CO -0.18 -0.94 2.19 -0.69 0.00 0.00 0.00 175.10 175.48 1wfu s VAL 79 N 2.09 3.05 0.70 2.92 1.01 -0.44 -4.78 120.40 124.94 1wfu s VAL 79 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1wfu s VAL 79 Cb -0.27 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.15 1wfu s VAL 79 CO 0.05 -0.04 0.98 -1.61 0.00 0.00 0.00 175.10 174.48 1wfu s GLU 80 N 6.39 1.86 -1.09 2.72 2.02 -1.26 -2.13 118.70 127.21 1wfu s GLU 80 Ca 0.99 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 55.12 1wfu s GLU 80 Cb -0.31 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1wfu s GLU 80 CO 0.34 -1.35 0.93 0.41 0.02 0.00 0.00 175.26 175.62 1wfu n GLY 81 N -2.84 -0.95 3.45 -1.39 0.00 -1.23 -4.97 105.19 97.26 1wfu n GLY 81 Ca 0.12 0.46 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 1wfu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfu s LEU 82 N -5.68 2.54 0.22 0.99 1.43 -0.02 -5.04 118.68 113.12 1wfu s LEU 82 Ca 0.34 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1wfu s LEU 82 Cb -0.05 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1wfu s LEU 82 CO 0.74 0.05 0.17 -1.61 0.23 0.00 0.00 176.35 175.93 1wfu s GLU 83 N -3.28 2.90 0.42 1.70 0.41 -1.26 -4.37 118.70 115.23 1wfu s GLU 83 Ca 0.27 -0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 53.59 1wfu s GLU 83 Cb -0.06 -2.59 -0.08 0.00 -1.78 0.00 0.00 34.13 29.63 1wfu s GLU 83 CO 0.13 0.43 1.18 -1.25 -0.49 0.00 0.00 175.26 175.26 1wfu s PRO 84 N -3.54 3.95 -1.42 0.39 0.04 -1.15 -3.44 135.00 129.82 1wfu s PRO 84 Ca 0.32 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 1wfu s PRO 84 Cb -0.09 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.90 1wfu s PRO 84 CO 0.24 -0.41 0.77 0.54 0.04 0.00 0.00 177.00 178.18 1wfu n ARG 85 N -0.11 -4.83 -4.78 4.56 5.12 -0.51 -4.94 116.66 111.16 1wfu n ARG 85 Ca 0.05 0.57 -0.26 0.00 -1.93 0.00 0.00 57.85 56.28 1wfu n ARG 85 Cb 0.47 -5.20 -0.16 0.00 -1.16 0.00 0.00 32.46 26.41 1wfu n ARG 85 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wfu s THR 86 N -3.56 1.37 0.19 0.55 2.01 -1.22 -4.89 115.64 110.10 1wfu s THR 86 Ca 0.28 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 1wfu s THR 86 Cb -0.14 -1.20 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 1wfu s THR 86 CO 0.84 0.40 0.75 -0.22 -0.69 0.00 0.00 174.62 175.70 1wfu s LEU 87 N 0.21 4.47 -0.14 4.42 1.98 -1.26 -1.41 118.68 126.96 1wfu s LEU 87 Ca -0.07 1.55 -0.04 0.00 -2.89 0.00 0.00 54.13 52.67 1wfu s LEU 87 Cb -0.13 -3.44 0.06 0.00 0.66 0.00 0.00 46.19 43.35 1wfu s LEU 87 CO 0.03 0.13 0.15 -0.31 -1.89 0.00 0.00 176.35 174.45 1wfu s TYR 88 N -1.33 -0.07 -0.02 5.38 2.02 0.13 -4.93 117.35 118.53 1wfu s TYR 88 Ca 0.39 0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 57.10 1wfu s TYR 88 Cb -0.20 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.87 1wfu s TYR 88 CO 0.24 -0.42 0.55 0.15 -1.57 0.00 0.00 175.55 174.49 1wfu s LYS 89 N 2.24 4.26 -0.02 -0.62 1.02 -1.26 -1.94 119.74 123.43 1wfu s LYS 89 Ca 0.04 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.69 1wfu s LYS 89 Cb -0.14 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1wfu s LYS 89 CO -0.08 0.40 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.61 1wfu s PHE 90 N -0.26 0.78 -0.12 3.18 0.08 -0.91 -3.03 117.98 117.71 1wfu s PHE 90 Ca 0.29 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.19 1wfu s PHE 90 Cb -0.18 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.72 1wfu s PHE 90 CO 0.16 -0.06 -0.20 -0.98 -0.10 0.00 0.00 175.22 174.04 1wfu s ARG 91 N 0.09 3.17 -0.14 0.44 1.70 -1.00 -1.05 118.95 122.17 1wfu s ARG 91 Ca -0.01 -0.81 -0.18 0.00 -0.47 0.00 0.00 55.73 54.26 1wfu s ARG 91 Cb -0.06 -2.44 -0.04 0.00 -0.57 0.00 0.00 34.95 31.84 1wfu s ARG 91 CO 0.00 0.17 0.50 -1.17 -1.08 0.00 0.00 175.30 173.72 1wfu s LEU 92 N 0.40 4.25 0.04 -1.89 2.96 -1.26 -2.41 118.68 120.76 1wfu s LEU 92 Ca -0.15 0.80 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1wfu s LEU 92 Cb -0.17 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1wfu s LEU 92 CO 0.07 -0.05 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.07 1wfu s LYS 93 N 0.88 1.92 0.03 1.98 2.20 -0.98 0.74 119.74 126.51 1wfu s LYS 93 Ca 0.26 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1wfu s LYS 93 Cb -0.15 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1wfu s LYS 93 CO 0.10 0.53 -0.08 0.14 -0.36 0.00 0.00 175.35 175.68 1wfu s VAL 94 N -0.85 0.59 -0.12 4.02 -7.23 -1.08 -2.10 120.40 113.64 1wfu s VAL 94 Ca 0.13 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1wfu s VAL 94 Cb -0.10 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.28 1wfu s VAL 94 CO 0.03 -0.22 0.07 -0.89 -0.31 0.00 0.00 175.10 173.78 1wfu s THR 95 N -1.01 -0.02 0.92 5.32 2.01 -1.19 -0.96 115.64 120.71 1wfu s THR 95 Ca -0.06 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 1wfu s THR 95 Cb -0.08 -0.44 0.10 0.00 0.01 0.00 0.00 72.50 72.09 1wfu s THR 95 CO 0.00 -0.07 0.87 -1.20 -0.69 0.00 0.00 174.62 173.54 1wfu n SER 96 N 5.26 -0.52 0.00 3.53 7.64 0.24 -3.55 113.62 126.22 1wfu n SER 96 Ca -0.06 0.40 0.07 0.00 1.01 0.00 0.00 58.87 60.29 1wfu n SER 96 Cb 0.49 -1.38 0.39 0.00 -1.01 0.00 0.00 64.21 62.71 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wfu n PRO 97 N -3.22 0.49 -0.09 1.43 -0.04 -1.26 -2.53 135.00 129.77 1wfu n PRO 97 Ca 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1wfu n PRO 97 Cb 0.52 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1wfu n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu n SER 98 N -0.92 1.73 0.00 3.54 2.88 -1.26 -5.03 113.62 114.56 1wfu n SER 98 Ca 0.10 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wfu n SER 98 Cb 0.05 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 99 N 2.27 2.01 3.60 0.46 0.00 -1.05 -5.14 105.19 107.34 1wfu n GLY 99 Ca -0.33 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1wfu n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfu n GLU 100 N 0.00 0.82 -3.65 1.61 4.71 -1.26 -4.66 120.64 118.22 1wfu n GLU 100 Ca 0.00 0.32 -0.14 0.00 -0.01 0.00 0.00 57.16 57.33 1wfu n GLU 100 Cb 0.00 -2.11 -0.08 0.00 -1.01 0.00 0.00 31.44 28.25 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 0.09 0.00 0.00 177.13 178.74 1wfu s TYR 101 N -1.55 -0.71 0.24 -0.32 -0.85 -1.26 0.82 117.35 113.72 1wfu s TYR 101 Ca 0.75 1.70 0.01 0.00 -0.52 0.00 0.00 57.07 59.01 1wfu s TYR 101 Cb -0.42 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.17 1wfu s TYR 101 CO 0.48 -0.36 0.05 0.39 -1.52 0.00 0.00 175.55 174.58 1wfu n GLU 102 N 2.59 0.97 -4.04 -3.49 -0.58 -0.13 -4.82 120.64 111.15 1wfu n GLU 102 Ca -0.14 -1.87 -0.13 0.00 -0.42 0.00 0.00 57.16 54.59 1wfu n GLU 102 Cb 0.56 0.82 -0.13 0.00 -0.57 0.00 0.00 31.44 32.12 1wfu n GLU 102 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1wfu s TYR 103 N -2.21 0.38 0.38 -0.32 1.51 -1.26 -2.63 117.35 113.20 1wfu s TYR 103 Ca 0.07 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1wfu s TYR 103 Cb 0.00 -0.24 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1wfu s TYR 103 CO 0.05 -0.06 0.60 -1.54 -1.11 0.00 0.00 175.55 173.49 1wfu s SER 104 N -0.73 6.16 -0.08 2.29 1.04 0.23 -4.30 113.70 118.31 1wfu s SER 104 Ca -0.05 0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1wfu s SER 104 Cb -0.05 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 1wfu s SER 104 CO -0.00 -0.43 1.51 -2.16 0.98 0.00 0.00 173.24 173.14 1wfu s PRO 105 N -4.41 4.21 0.17 4.02 0.04 -1.26 -4.38 135.00 133.38 1wfu s PRO 105 Ca 0.43 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1wfu s PRO 105 Cb -0.10 -3.87 -0.17 0.00 0.04 0.00 0.00 34.50 30.40 1wfu s PRO 105 CO 0.37 -0.78 0.67 0.28 0.04 0.00 0.00 177.00 177.58 1wfu n VAL 106 N 5.36 1.61 -3.94 -0.36 0.31 -1.26 -4.74 118.33 115.30 1wfu n VAL 106 Ca 0.16 -0.40 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 1wfu n VAL 106 Cb 0.43 -0.09 -0.15 0.00 -0.91 0.00 0.00 33.84 33.13 1wfu n VAL 106 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wfu s VAL 107 N -0.80 1.81 -0.06 2.52 -7.23 -0.21 -4.91 120.40 111.51 1wfu s VAL 107 Ca 0.69 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1wfu s VAL 107 Cb -0.97 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 1wfu s VAL 107 CO 0.56 -0.49 0.74 -0.94 -0.31 0.00 0.00 175.10 174.66 1wfu s SER 108 N 1.17 7.04 -0.02 4.85 1.04 -1.26 -2.15 113.70 124.37 1wfu s SER 108 Ca 0.06 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1wfu s SER 108 Cb -0.19 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1wfu s SER 108 CO -0.12 -0.14 0.00 0.68 0.98 0.00 0.00 173.24 174.64 1wfu s VAL 109 N 0.87 0.13 -0.24 5.02 -7.23 -0.82 -4.91 120.40 113.21 1wfu s VAL 109 Ca 0.39 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.54 1wfu s VAL 109 Cb -0.18 -0.21 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1wfu s VAL 109 CO 0.19 0.12 0.16 0.00 -0.31 0.00 0.00 175.10 175.26 1wfu s ALA 110 N 0.85 3.58 1.42 1.32 0.00 -1.26 -0.70 121.76 126.98 1wfu s ALA 110 Ca -0.08 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.73 1wfu s ALA 110 Cb -0.11 -2.32 0.37 0.00 0.00 0.00 0.00 23.12 21.05 1wfu s ALA 110 CO -0.02 -0.23 0.95 0.95 0.00 0.00 0.00 175.76 177.41 1wfu s THR 111 N 1.13 1.17 0.52 0.00 -4.23 -0.50 -4.84 115.64 108.89 1wfu s THR 111 Ca 0.07 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1wfu s THR 111 Cb -0.14 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.67 1wfu s THR 111 CO 0.05 0.00 0.71 0.35 -0.54 0.00 0.00 174.62 175.19 1wfu n THR 112 N -5.60 0.00 -1.91 3.99 -2.24 -1.19 -3.57 114.28 103.77 1wfu n THR 112 Ca 0.14 -1.40 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 1wfu n THR 112 Cb 0.60 -0.80 0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1wfu n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfu s ARG 113 N -4.30 3.18 -0.06 -0.78 3.03 -1.26 -1.43 118.95 117.33 1wfu s ARG 113 Ca 0.50 0.56 0.01 0.00 2.03 0.00 0.00 55.73 58.84 1wfu s ARG 113 Cb -0.03 -2.06 -0.05 0.00 -1.03 0.00 0.00 34.95 31.78 1wfu s ARG 113 CO 0.33 -0.81 -0.05 -0.85 -1.13 0.00 0.00 175.30 172.79 1wfu n GLU 114 N -2.87 0.63 -0.07 3.89 0.28 -1.26 -4.47 120.64 116.76 1wfu n GLU 114 Ca 0.06 0.03 -0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1wfu n GLU 114 Cb 0.56 -1.13 -0.08 0.00 1.43 0.00 0.00 31.44 32.22 1wfu n GLU 114 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wfu h SER 115 N 0.00 0.00 -1.12 -1.84 0.02 -1.95 -3.50 113.55 105.15 1wfu h SER 115 Ca -0.14 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1wfu h SER 115 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1wfu h SER 115 CO -0.02 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1wfu n GLY 116 N 1.61 -0.67 0.00 -3.77 0.00 -1.26 -3.24 105.19 97.86 1wfu n GLY 116 Ca -0.13 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1wfu n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfu n PRO 117 N -1.06 0.49 -4.29 1.61 -0.04 -1.26 -4.70 135.00 125.75 1wfu n PRO 117 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1wfu n PRO 117 Cb 0.00 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 1wfu n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu s SER 118 N -1.87 5.14 0.08 3.54 0.15 -1.20 -5.12 113.70 114.41 1wfu s SER 118 Ca 0.17 0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.91 1wfu s SER 118 Cb 0.08 -1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 1wfu s SER 118 CO 0.13 0.29 -0.19 -0.94 1.20 0.00 0.00 173.24 173.73 1wfu s SER 119 N -1.51 3.77 0.00 5.45 1.04 -1.26 -4.84 113.70 116.35 1wfu s SER 119 Ca 0.19 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wfu s SER 119 Cb -0.11 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.46 1wfu s SER 119 CO 0.10 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.15