#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu s SER 2 N 0.00 -0.50 -0.22 1.61 0.15 -1.26 -5.08 113.70 108.40 1wfu s SER 2 Ca 0.00 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 1wfu s SER 2 Cb 0.00 0.62 -0.12 0.00 -1.71 0.00 0.00 66.02 64.81 1wfu s SER 2 CO 0.00 -1.04 -0.24 -0.24 1.20 0.00 0.00 173.24 172.92 1wfu n SER 3 N -0.40 2.02 -3.84 5.45 2.88 -1.26 -5.03 113.62 113.44 1wfu n SER 3 Ca -0.14 0.06 -0.32 0.00 -1.33 0.00 0.00 58.87 57.14 1wfu n SER 3 Cb 0.64 -0.49 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 2.07 -0.93 0.06 0.46 0.00 -1.26 -4.89 105.19 100.69 1wfu n GLY 4 Ca -0.41 0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1wfu n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wfu h SER 5 N -1.02 0.00 -3.63 1.61 0.87 -2.07 -3.46 113.55 105.85 1wfu h SER 5 Ca -0.59 -0.28 -0.51 0.00 -1.23 0.00 0.00 61.79 59.18 1wfu h SER 5 Cb 1.22 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1wfu h SER 5 CO 0.39 0.69 0.23 -0.44 -0.53 0.00 0.00 176.83 177.17 1wfu s SER 6 N -5.79 7.40 0.00 6.23 0.01 -1.26 -4.78 113.70 115.51 1wfu s SER 6 Ca -0.07 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1wfu s SER 6 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1wfu s SER 6 CO 0.22 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1wfu n GLY 7 N 1.31 0.12 3.48 3.44 0.00 -1.26 -5.18 105.19 107.10 1wfu n GLY 7 Ca -0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1wfu n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wfu s MET 8 N 0.00 1.06 0.03 1.61 0.00 -1.26 -5.18 119.30 115.55 1wfu s MET 8 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 55.69 55.45 1wfu s MET 8 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 34.83 35.33 1wfu s MET 8 CO 0.00 -0.42 0.17 -1.21 0.00 0.00 0.00 175.02 173.56 1wfu s GLU 9 N -2.58 0.61 1.04 3.16 0.41 -1.26 -5.17 118.70 114.92 1wfu s GLU 9 Ca -0.02 -0.56 -0.17 0.00 -0.41 0.00 0.00 54.97 53.80 1wfu s GLU 9 Cb -0.01 0.25 0.26 0.00 -1.78 0.00 0.00 34.13 32.86 1wfu s GLU 9 CO -0.04 -0.17 0.93 -0.35 -0.49 0.00 0.00 175.26 175.14 1wfu n PRO 10 N 0.95 -2.82 -0.59 0.39 -0.04 -1.26 -5.03 135.00 126.60 1wfu n PRO 10 Ca -0.20 -1.48 -0.29 0.00 -0.04 0.00 0.00 63.50 61.48 1wfu n PRO 10 Cb 0.58 -1.39 0.26 0.00 -0.04 0.00 0.00 33.50 32.91 1wfu n PRO 10 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1wfu s HIS 11 N -2.68 0.43 0.12 0.54 2.46 -1.26 -4.88 115.29 110.01 1wfu s HIS 11 Ca 0.60 0.79 -0.23 0.00 0.47 0.00 0.00 55.06 56.70 1wfu s HIS 11 Cb -0.06 -3.07 -0.05 0.00 -0.13 0.00 0.00 32.58 29.27 1wfu s HIS 11 CO 0.46 -4.32 1.25 1.17 -2.47 0.00 0.00 174.74 170.83 1wfu n LYS 12 N -5.17 -0.32 -3.49 2.88 3.00 -1.26 -4.26 118.16 109.54 1wfu n LYS 12 Ca 0.08 1.23 -0.38 0.00 -0.00 0.00 0.00 58.31 59.24 1wfu n LYS 12 Cb 0.58 -1.81 -0.06 0.00 0.00 0.00 0.00 35.03 33.74 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1wfu s VAL 13 N -5.06 5.02 0.00 3.15 1.01 -1.26 -5.05 120.40 118.20 1wfu s VAL 13 Ca -0.09 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 1wfu s VAL 13 Cb 0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1wfu s VAL 13 CO 0.45 0.58 1.14 -0.69 0.00 0.00 0.00 175.10 176.58 1wfu s VAL 14 N -1.07 4.32 0.93 2.92 1.01 -1.26 -5.02 120.40 122.24 1wfu s VAL 14 Ca 0.24 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 1wfu s VAL 14 Cb -0.17 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1wfu s VAL 14 CO 0.14 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.25 1wfu s PRO 15 N 1.48 0.96 1.19 2.72 0.04 -1.26 -5.01 135.00 135.12 1wfu s PRO 15 Ca 0.56 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1wfu s PRO 15 Cb -0.26 -1.78 0.23 0.00 0.04 0.00 0.00 34.50 32.73 1wfu s PRO 15 CO 0.26 -2.42 0.55 1.47 0.04 0.00 0.00 177.00 176.90 1wfu n LEU 16 N -3.99 -1.91 -4.84 -3.56 -0.00 -1.26 -4.98 117.00 96.45 1wfu n LEU 16 Ca 0.06 -0.27 -0.30 0.00 -0.00 0.00 0.00 56.01 55.51 1wfu n LEU 16 Cb 0.56 -1.07 0.08 0.00 -0.00 0.00 0.00 43.42 42.99 1wfu n LEU 16 CO 0.56 -3.39 0.74 -0.94 -0.00 0.00 0.00 177.39 174.36 1wfu s SER 17 N -2.21 4.66 0.08 1.45 1.04 -1.26 -4.93 113.70 112.54 1wfu s SER 17 Ca 0.61 1.12 -0.28 0.00 0.48 0.00 0.00 55.95 57.88 1wfu s SER 17 Cb -0.17 -1.81 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 1wfu s SER 17 CO 0.63 -1.84 0.89 -0.54 0.98 0.00 0.00 173.24 173.35 1wfu s LYS 18 N -5.31 4.61 0.75 4.02 1.02 -1.26 -4.74 119.74 118.84 1wfu s LYS 18 Ca 0.61 1.30 -0.11 0.00 0.02 0.00 0.00 55.97 57.78 1wfu s LYS 18 Cb -0.13 -3.38 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1wfu s LYS 18 CO 0.52 0.22 1.09 -1.25 -0.92 0.00 0.00 175.35 175.02 1wfu s PRO 19 N 0.04 2.36 0.39 -1.68 0.04 -1.26 -5.02 135.00 129.87 1wfu s PRO 19 Ca 0.44 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.70 1wfu s PRO 19 Cb -0.22 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wfu s PRO 19 CO 0.27 -1.57 0.59 -3.38 0.04 0.00 0.00 177.00 172.95 1wfu s HIS 20 N -2.80 3.30 0.36 0.56 -3.43 -1.26 -4.31 115.29 107.72 1wfu s HIS 20 Ca 0.62 0.19 -0.27 0.00 -0.80 0.00 0.00 55.06 54.80 1wfu s HIS 20 Cb -0.18 -2.10 -0.09 0.00 -1.43 0.00 0.00 32.58 28.78 1wfu s HIS 20 CO 0.53 -0.12 1.20 -1.25 -2.00 0.00 0.00 174.74 173.11 1wfu s PRO 21 N -4.40 4.22 0.36 -0.38 0.04 -1.26 -4.81 135.00 128.76 1wfu s PRO 21 Ca 0.45 1.96 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 1wfu s PRO 21 Cb -0.10 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 1wfu s PRO 21 CO 0.36 -0.22 1.21 -1.25 0.04 0.00 0.00 177.00 177.14 1wfu s PRO 22 N -2.03 4.25 0.37 0.56 0.04 -1.26 -5.01 135.00 131.92 1wfu s PRO 22 Ca 0.53 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 1wfu s PRO 22 Cb -0.34 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1wfu s PRO 22 CO 0.43 -0.19 0.77 0.08 0.04 0.00 0.00 177.00 178.14 1wfu s VAL 23 N -1.27 4.69 -0.35 -0.36 1.01 -1.03 -4.88 120.40 118.21 1wfu s VAL 23 Ca 0.52 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 1wfu s VAL 23 Cb -0.34 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wfu s VAL 23 CO 0.44 -0.33 0.08 -0.69 0.00 0.00 0.00 175.10 174.60 1wfu s VAL 24 N -2.16 2.84 0.00 2.92 1.01 -1.26 -1.58 120.40 122.17 1wfu s VAL 24 Ca 0.54 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1wfu s VAL 24 Cb -0.10 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1wfu s VAL 24 CO 0.23 -0.46 0.03 0.61 0.00 0.00 0.00 175.10 175.51 1wfu n GLY 25 N 4.49 0.90 3.73 4.51 0.00 -1.18 -4.87 105.19 112.78 1wfu n GLY 25 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 4.34 -0.25 1.61 2.20 -1.26 -4.98 119.74 121.04 1wfu s LYS 26 Ca 0.00 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 1wfu s LYS 26 Cb 0.00 -3.42 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1wfu s LYS 26 CO 0.00 0.18 -0.09 0.08 -0.36 0.00 0.00 175.35 175.16 1wfu s VAL 27 N 0.51 2.47 0.14 4.02 1.01 -1.26 -0.59 120.40 126.69 1wfu s VAL 27 Ca 0.28 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1wfu s VAL 27 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1wfu s VAL 27 CO 0.12 0.09 -0.12 0.42 0.00 0.00 0.00 175.10 175.61 1wfu s THR 28 N 1.21 3.14 -2.00 3.92 -4.23 -0.31 -4.64 115.64 112.72 1wfu s THR 28 Ca -0.04 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 1wfu s THR 28 Cb -0.18 -2.50 0.49 0.00 1.34 0.00 0.00 72.50 71.65 1wfu s THR 28 CO -0.05 0.02 1.47 0.00 -0.54 0.00 0.00 174.62 175.52 1wfu n HIS 29 N 0.47 0.00 0.00 3.99 1.44 -1.26 -2.36 115.22 117.50 1wfu n HIS 29 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1wfu n HIS 29 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.89 0.00 -3.74 -1.40 -0.00 -1.26 -2.53 115.22 105.40 1wfu n HIS 30 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1wfu n HIS 30 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.03 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfu s SER 31 N -1.10 -0.19 -0.08 4.39 1.04 -1.00 -1.15 113.70 115.60 1wfu s SER 31 Ca 0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1wfu s SER 31 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1wfu s SER 31 CO 0.00 -0.89 -0.08 -0.63 0.98 0.00 0.00 173.24 172.62 1wfu s ILE 32 N -3.29 0.96 -0.01 -1.02 1.01 -0.93 -1.16 121.20 116.76 1wfu s ILE 32 Ca 0.12 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 1wfu s ILE 32 Cb -0.01 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1wfu s ILE 32 CO 0.01 0.34 0.91 -0.70 0.00 0.00 0.00 174.94 175.50 1wfu s GLU 33 N 1.24 4.53 0.00 2.79 2.12 0.24 -1.50 118.70 128.13 1wfu s GLU 33 Ca -0.04 1.28 0.02 0.00 0.36 0.00 0.00 54.97 56.59 1wfu s GLU 33 Cb -0.14 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1wfu s GLU 33 CO -0.03 -0.00 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.11 1wfu s LEU 34 N 0.89 2.06 -0.16 2.70 1.43 -0.59 -3.11 118.68 121.90 1wfu s LEU 34 Ca 0.48 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1wfu s LEU 34 Cb -0.20 -0.33 0.07 0.00 0.03 0.00 0.00 46.19 45.75 1wfu s LEU 34 CO 0.26 0.04 0.37 -0.72 0.23 0.00 0.00 176.35 176.52 1wfu s TYR 35 N -0.38 -0.59 -0.26 0.29 -0.85 -0.62 0.25 117.35 115.19 1wfu s TYR 35 Ca 0.01 1.24 0.09 0.00 -0.52 0.00 0.00 57.07 57.88 1wfu s TYR 35 Cb -0.04 0.20 0.45 0.00 0.38 0.00 0.00 41.96 42.94 1wfu s TYR 35 CO -0.00 -0.37 1.28 -2.67 -1.52 0.00 0.00 175.55 172.26 1wfu n TRP 36 N 4.77 1.07 -0.53 -3.49 2.14 0.63 -2.48 117.44 119.55 1wfu n TRP 36 Ca -0.16 -1.77 -0.04 0.00 2.07 0.00 0.00 57.50 57.60 1wfu n TRP 36 Cb 0.52 -0.35 -0.05 0.00 -0.81 0.00 0.00 31.31 30.62 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 -1.00 3.87 -0.03 -0.67 5.75 -1.26 -3.30 116.55 119.92 1wfu n ASP 37 Ca 0.30 -2.11 -0.02 0.00 -0.01 0.00 0.00 54.79 52.94 1wfu n ASP 37 Cb 0.83 -0.92 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 1wfu n ASP 37 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wfu n LEU 38 N 2.08 0.00 -0.04 -2.12 7.99 -1.26 -4.71 117.00 118.93 1wfu n LEU 38 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.99 1wfu n LEU 38 Cb 0.50 0.13 -0.12 0.00 -0.11 0.00 0.00 43.42 43.82 1wfu n LEU 38 CO 0.07 0.13 0.39 1.05 -1.51 0.00 0.00 177.39 177.52 1wfu h GLU 39 N 0.00 0.07 -2.98 3.23 4.11 -1.99 -3.36 114.58 113.66 1wfu h GLU 39 Ca -0.15 -0.10 -0.75 0.00 0.07 0.00 0.00 59.36 58.44 1wfu h GLU 39 Cb 1.29 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.44 1wfu h GLU 39 CO 0.01 0.94 2.23 0.00 0.07 0.00 0.00 179.01 182.26 1wfu n GLN 40 N -4.57 4.20 -0.67 1.06 0.00 -1.26 -5.00 117.38 111.14 1wfu n GLN 40 Ca -0.10 -3.51 -0.21 0.00 0.00 0.00 0.00 57.00 53.18 1wfu n GLN 40 Cb 0.49 -2.75 0.11 0.00 0.00 0.00 0.00 30.24 28.09 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 2.58 -1.43 -0.84 2.61 5.02 -1.26 -4.66 118.16 120.19 1wfu n LYS 41 Ca 0.52 -0.42 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1wfu n LYS 41 Cb 0.30 -1.37 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 1wfu n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfu n GLU 42 N -0.56 1.83 -3.24 1.97 1.02 -1.26 -4.59 120.64 115.82 1wfu n GLU 42 Ca 0.03 -0.98 -0.03 0.00 -0.02 0.00 0.00 57.16 56.16 1wfu n GLU 42 Cb 0.42 -2.03 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 1wfu n GLU 42 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfu s LYS 43 N 1.65 0.47 -0.05 3.49 1.02 -1.26 -5.15 119.74 119.91 1wfu s LYS 43 Ca 0.54 0.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.01 1wfu s LYS 43 Cb 0.23 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 1wfu s LYS 43 CO -0.01 -0.83 0.23 -0.98 -0.92 0.00 0.00 175.35 172.83 1wfu s ARG 44 N 2.70 3.56 -0.15 1.68 1.70 -1.26 -5.01 118.95 122.16 1wfu s ARG 44 Ca 0.13 -0.05 -0.06 0.00 -0.47 0.00 0.00 55.73 55.29 1wfu s ARG 44 Cb -0.13 -3.15 -0.24 0.00 -0.57 0.00 0.00 34.95 30.86 1wfu s ARG 44 CO -0.23 0.72 0.24 1.04 -1.08 0.00 0.00 175.30 175.98 1wfu n GLN 45 N 1.59 0.73 0.00 3.89 1.13 -1.26 -5.02 117.38 118.43 1wfu n GLN 45 Ca -0.15 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1wfu n GLN 45 Cb 0.54 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wfu n GLY 46 N 1.99 7.63 3.72 1.08 0.00 -1.26 -5.14 105.19 113.20 1wfu n GLY 46 Ca -0.35 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 1.07 1.22 0.21 1.61 0.04 -1.26 -4.85 135.00 133.04 1wfu s PRO 47 Ca 0.00 0.81 -0.10 0.00 0.04 0.00 0.00 61.00 61.75 1wfu s PRO 47 Cb 0.00 -1.81 0.29 0.00 0.04 0.00 0.00 34.50 33.03 1wfu s PRO 47 CO 0.00 -2.26 1.69 0.37 0.04 0.00 0.00 177.00 176.84 1wfu h GLN 48 N -1.56 0.21 0.00 4.56 -0.00 -2.00 0.46 115.11 116.77 1wfu h GLN 48 Ca -0.50 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.14 1wfu h GLN 48 Cb 1.29 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.72 1wfu h GLN 48 CO 0.55 0.14 -0.00 0.93 0.00 0.00 0.00 178.83 180.44 1wfu h GLU 49 N 0.21 0.00 -0.11 1.69 5.08 -2.03 -1.44 114.58 117.98 1wfu h GLU 49 Ca 0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.45 1wfu h GLU 49 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1wfu h GLU 49 CO -0.44 0.00 -0.82 0.37 -1.00 0.00 0.00 179.01 177.13 1wfu h GLN 50 N 0.00 0.69 -4.27 2.33 -0.00 -0.40 -3.46 115.11 109.99 1wfu h GLN 50 Ca -0.00 -0.59 -0.42 0.00 -0.00 0.00 0.00 58.65 57.63 1wfu h GLN 50 Cb 0.02 0.13 0.13 0.00 0.00 0.00 0.00 27.48 27.76 1wfu h GLN 50 CO 0.00 1.20 -0.87 0.91 0.00 0.00 0.00 178.83 180.08 1wfu n TRP 51 N -3.89 -2.21 -2.54 3.99 7.02 -0.54 -4.46 117.44 114.80 1wfu n TRP 51 Ca -0.07 0.29 -0.38 0.00 -1.02 0.00 0.00 57.50 56.32 1wfu n TRP 51 Cb 0.76 -1.19 -0.04 0.00 -2.42 0.00 0.00 31.31 28.42 1wfu n TRP 51 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1wfu s LEU 52 N 3.76 4.30 0.45 -0.99 1.43 -1.26 -4.80 118.68 121.57 1wfu s LEU 52 Ca 0.39 2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 55.40 1wfu s LEU 52 Cb -0.33 -3.98 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 1wfu s LEU 52 CO 0.48 -0.34 0.95 -0.60 0.23 0.00 0.00 176.35 177.07 1wfu s ARG 53 N -2.09 4.12 -0.15 1.70 3.52 -1.17 -4.84 118.95 120.05 1wfu s ARG 53 Ca 0.53 1.04 -0.04 0.00 -0.13 0.00 0.00 55.73 57.13 1wfu s ARG 53 Cb -0.25 -2.18 0.05 0.00 -1.56 0.00 0.00 34.95 31.01 1wfu s ARG 53 CO 0.32 -0.10 0.06 -0.06 -0.81 0.00 0.00 175.30 174.71 1wfu s PHE 54 N -2.32 0.42 -0.10 5.12 0.08 -0.00 -3.18 117.98 117.99 1wfu s PHE 54 Ca 0.61 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.34 1wfu s PHE 54 Cb -0.09 -0.75 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1wfu s PHE 54 CO 0.19 -0.47 -0.22 -1.12 -0.10 0.00 0.00 175.22 173.50 1wfu s SER 55 N 2.06 3.24 0.06 1.36 0.01 -0.50 -2.37 113.70 117.56 1wfu s SER 55 Ca 0.02 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.78 1wfu s SER 55 Cb -0.15 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1wfu s SER 55 CO -0.08 0.17 0.11 -0.63 0.41 0.00 0.00 173.24 173.22 1wfu s ILE 56 N 0.32 4.77 0.23 1.44 -1.09 -0.30 -0.80 121.20 125.77 1wfu s ILE 56 Ca -0.17 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1wfu s ILE 56 Cb -0.17 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1wfu s ILE 56 CO 0.08 0.17 0.16 -1.61 -1.23 0.00 0.00 174.94 172.51 1wfu s GLU 57 N -2.30 1.33 -0.12 2.79 8.01 -1.02 -1.14 118.70 126.24 1wfu s GLU 57 Ca 0.29 -1.72 -0.11 0.00 0.01 0.00 0.00 54.97 53.45 1wfu s GLU 57 Cb -0.12 0.24 0.03 0.00 -4.31 0.00 0.00 34.13 29.97 1wfu s GLU 57 CO 0.22 -0.43 0.33 -1.83 0.01 0.00 0.00 175.26 173.55 1wfu s GLU 58 N -4.01 0.38 0.34 1.61 -1.05 -1.10 -2.56 118.70 112.31 1wfu s GLU 58 Ca 0.39 0.47 -0.11 0.00 -0.15 0.00 0.00 54.97 55.57 1wfu s GLU 58 Cb 0.06 0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 33.85 1wfu s GLU 58 CO 0.15 -0.05 0.70 -2.00 0.95 0.00 0.00 175.26 175.01 1wfu s GLU 59 N 0.23 3.84 -0.15 -4.83 2.12 -1.18 -1.83 118.70 116.89 1wfu s GLU 59 Ca -0.00 0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.74 1wfu s GLU 59 Cb -0.03 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 1wfu s GLU 59 CO -0.00 0.10 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.30 1wfu s ASP 60 N -2.76 5.01 0.55 -1.70 1.11 0.06 -4.77 116.67 114.17 1wfu s ASP 60 Ca 0.51 -0.06 0.33 0.00 0.18 0.00 0.00 52.55 53.51 1wfu s ASP 60 Cb -0.10 -1.78 1.38 0.00 1.07 0.00 0.00 42.92 43.49 1wfu s ASP 60 CO 0.25 0.20 1.99 1.55 1.18 0.00 0.00 175.17 180.34 1wfu h PRO 61 N 6.52 0.00 0.00 8.23 0.13 -1.97 0.95 132.00 145.85 1wfu h PRO 61 Ca -0.34 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 1wfu h PRO 61 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1wfu h PRO 61 CO 0.63 0.03 -2.33 0.36 -0.23 0.00 0.00 178.00 176.46 1wfu n LYS 62 N -3.14 0.58 0.00 0.86 2.85 -1.26 -4.45 118.16 113.61 1wfu n LYS 62 Ca 0.00 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.53 1wfu n LYS 62 Cb 0.30 -1.46 0.32 0.00 -0.65 0.00 0.00 35.03 33.55 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfu n MET 63 N -3.27 0.31 -3.95 -1.58 2.81 -1.22 -4.93 117.12 105.28 1wfu n MET 63 Ca -0.42 -0.17 -0.31 0.00 -1.81 0.00 0.00 57.70 54.99 1wfu n MET 63 Cb 0.93 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.89 1wfu n MET 63 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wfu n HIS 64 N -1.19 -1.46 -4.15 2.03 8.25 0.33 -4.89 115.22 114.13 1wfu n HIS 64 Ca 0.08 0.53 -0.11 0.00 -0.26 0.00 0.00 57.72 57.96 1wfu n HIS 64 Cb 0.34 -1.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.46 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 -2.93 1.10 0.10 0.41 0.15 -1.24 -4.84 113.70 106.45 1wfu s SER 65 Ca 0.61 -0.94 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 1wfu s SER 65 Cb -0.35 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.00 1wfu s SER 65 CO 0.74 -0.43 0.29 -0.31 1.20 0.00 0.00 173.24 174.73 1wfu s TYR 66 N -3.32 3.50 -0.11 3.44 1.51 -1.26 -0.76 117.35 120.36 1wfu s TYR 66 Ca 0.09 0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 56.49 1wfu s TYR 66 Cb 0.03 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 40.07 1wfu s TYR 66 CO -0.04 0.52 0.24 0.20 -1.11 0.00 0.00 175.55 175.35 1wfu s GLY 67 N -2.50 -0.10 -0.48 0.71 0.00 -0.76 -4.94 107.32 99.25 1wfu s GLY 67 Ca 0.38 0.90 -0.31 0.00 0.00 0.00 0.00 44.72 45.69 1wfu s GLY 67 CO 0.27 1.58 2.35 -0.62 0.00 0.00 0.00 173.10 176.67 1wfu n VAL 68 N 4.81 0.09 0.06 1.40 0.31 -1.26 -2.73 118.33 121.01 1wfu n VAL 68 Ca -0.15 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1wfu n VAL 68 Cb 0.51 -1.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.32 1wfu n VAL 68 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1wfu h ILE 69 N 7.45 1.28 -3.72 2.52 3.07 -1.45 -3.47 117.51 123.18 1wfu h ILE 69 Ca -0.25 -2.96 -0.16 0.00 1.55 0.00 0.00 64.86 63.05 1wfu h ILE 69 Cb 1.29 2.75 -0.21 0.00 -0.27 0.00 0.00 36.82 40.39 1wfu h ILE 69 CO 1.11 0.82 -0.58 -0.47 -1.05 0.00 0.00 178.15 177.98 1wfu s TYR 70 N -2.64 0.14 -0.17 0.16 5.04 -0.93 -5.01 117.35 113.94 1wfu s TYR 70 Ca -0.06 -0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.19 1wfu s TYR 70 Cb 0.08 -0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.35 1wfu s TYR 70 CO 0.84 -0.25 0.36 -0.08 -1.34 0.00 0.00 175.55 175.09 1wfu s THR 71 N -1.44 -0.49 -2.22 4.34 -1.32 -1.26 -1.15 115.64 112.09 1wfu s THR 71 Ca -0.15 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1wfu s THR 71 Cb -0.09 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1wfu s THR 71 CO 0.00 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1wfu n GLY 72 N 5.21 -0.59 0.00 6.08 0.00 -1.00 -4.99 105.19 109.91 1wfu n GLY 72 Ca -0.10 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 4.00 0.00 -0.88 1.61 4.02 -1.26 -0.82 117.16 123.83 1wfu n TYR 73 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1wfu n TYR 73 Cb 0.00 -0.24 0.09 0.00 -0.02 0.00 0.00 39.34 39.17 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 -1.82 -4.49 -0.04 -0.72 0.00 -1.26 -4.77 120.51 107.40 1wfu n ALA 74 Ca -0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 1wfu n ALA 74 Cb 0.37 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.37 0.56 -3.95 0.00 -2.24 -1.26 -4.82 114.28 99.20 1wfu n THR 75 Ca 0.01 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1wfu n THR 75 Cb 0.60 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.27 3.44 -0.30 -0.78 3.52 -1.26 -0.27 118.95 121.03 1wfu s ARG 76 Ca -0.04 -0.65 -0.07 0.00 -0.13 0.00 0.00 55.73 54.83 1wfu s ARG 76 Cb 0.03 -2.94 0.17 0.00 -1.56 0.00 0.00 34.95 30.66 1wfu s ARG 76 CO 0.38 0.49 0.76 -1.58 -0.81 0.00 0.00 175.30 174.54 1wfu s HIS 77 N -1.83 -1.20 -0.63 5.12 2.46 0.14 -4.95 115.29 114.41 1wfu s HIS 77 Ca 0.34 1.49 -0.15 0.00 0.47 0.00 0.00 55.06 57.22 1wfu s HIS 77 Cb -0.10 0.50 0.16 0.00 -0.13 0.00 0.00 32.58 33.01 1wfu s HIS 77 CO 0.29 -0.64 0.57 0.08 -2.47 0.00 0.00 174.74 172.57 1wfu s VAL 78 N 2.83 5.23 -0.36 0.89 1.01 -1.26 -1.55 120.40 127.20 1wfu s VAL 78 Ca 0.08 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1wfu s VAL 78 Cb -0.12 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1wfu s VAL 78 CO -0.18 -0.91 2.29 0.52 0.00 0.00 0.00 175.10 176.82 1wfu n VAL 79 N 4.79 0.18 -2.30 2.92 0.31 -0.56 -4.79 118.33 118.87 1wfu n VAL 79 Ca -0.04 -0.47 -0.25 0.00 -0.01 0.00 0.00 64.34 63.56 1wfu n VAL 79 Cb 0.42 -2.29 0.06 0.00 -0.91 0.00 0.00 33.84 31.12 1wfu n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfu s GLU 80 N 6.93 2.34 -0.91 5.55 2.02 -1.26 -2.18 118.70 131.19 1wfu s GLU 80 Ca 1.04 -0.32 -0.05 0.00 0.02 0.00 0.00 54.97 55.66 1wfu s GLU 80 Cb -0.47 -2.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 1wfu s GLU 80 CO 0.37 -1.08 0.80 0.41 0.02 0.00 0.00 175.26 175.78 1wfu n GLY 81 N -2.78 -0.96 3.47 -1.39 0.00 -1.20 -4.96 105.19 97.37 1wfu n GLY 81 Ca 0.08 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.34 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 -5.00 2.61 0.23 0.99 1.43 -0.30 -5.00 118.68 113.64 1wfu s LEU 82 Ca 0.37 -1.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1wfu s LEU 82 Cb -0.05 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1wfu s LEU 82 CO 0.66 -0.03 0.22 -1.61 0.23 0.00 0.00 176.35 175.82 1wfu s GLU 83 N -3.54 3.04 0.40 1.70 2.02 -1.26 -4.30 118.70 116.76 1wfu s GLU 83 Ca 0.30 -0.94 -0.25 0.00 0.02 0.00 0.00 54.97 54.10 1wfu s GLU 83 Cb -0.03 -2.66 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 1wfu s GLU 83 CO 0.15 0.43 1.19 -1.25 0.02 0.00 0.00 175.26 175.79 1wfu s PRO 84 N -3.69 4.03 -1.62 0.39 0.04 -1.05 -3.37 135.00 129.73 1wfu s PRO 84 Ca 0.33 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1wfu s PRO 84 Cb -0.09 -2.68 0.10 0.00 0.04 0.00 0.00 34.50 31.87 1wfu s PRO 84 CO 0.26 -0.35 0.52 0.54 0.04 0.00 0.00 177.00 178.00 1wfu n ARG 85 N 0.06 -2.48 -5.23 4.56 5.12 0.04 -4.94 116.66 113.80 1wfu n ARG 85 Ca 0.04 0.30 -0.32 0.00 -1.93 0.00 0.00 57.85 55.95 1wfu n ARG 85 Cb 0.46 -4.62 -0.17 0.00 -1.16 0.00 0.00 32.46 26.97 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 -3.67 2.07 0.19 0.55 2.01 -1.22 -4.84 115.64 110.74 1wfu s THR 86 Ca 0.41 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1wfu s THR 86 Cb -0.23 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.43 1wfu s THR 86 CO 0.94 0.56 0.93 -0.22 -0.69 0.00 0.00 174.62 176.15 1wfu s LEU 87 N 0.13 4.59 -0.14 4.42 1.98 -1.26 -1.84 118.68 126.57 1wfu s LEU 87 Ca -0.12 1.86 -0.04 0.00 -2.89 0.00 0.00 54.13 52.94 1wfu s LEU 87 Cb -0.16 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.17 1wfu s LEU 87 CO 0.07 0.09 0.07 -0.31 -1.89 0.00 0.00 176.35 174.38 1wfu s TYR 88 N -0.78 0.25 0.05 5.38 2.02 0.06 -4.91 117.35 119.41 1wfu s TYR 88 Ca 0.42 -0.22 -0.21 0.00 -0.37 0.00 0.00 57.07 56.70 1wfu s TYR 88 Cb -0.25 -0.67 -0.06 0.00 -0.40 0.00 0.00 41.96 40.58 1wfu s TYR 88 CO 0.31 -0.44 0.61 0.15 -1.57 0.00 0.00 175.55 174.61 1wfu s LYS 89 N 2.12 4.30 -0.01 -0.62 1.02 -1.26 -1.81 119.74 123.48 1wfu s LYS 89 Ca 0.03 0.80 0.01 0.00 0.02 0.00 0.00 55.97 56.82 1wfu s LYS 89 Cb -0.15 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1wfu s LYS 89 CO -0.07 0.51 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.77 1wfu s PHE 90 N -0.70 0.37 -0.13 3.18 0.08 -0.76 -3.11 117.98 116.90 1wfu s PHE 90 Ca 0.31 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.31 1wfu s PHE 90 Cb -0.19 -0.26 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1wfu s PHE 90 CO 0.19 -0.02 -0.18 -0.98 -0.10 0.00 0.00 175.22 174.13 1wfu s ARG 91 N 0.02 3.21 -0.14 0.44 1.70 -1.06 -1.58 118.95 121.54 1wfu s ARG 91 Ca 0.00 -0.78 -0.19 0.00 -0.47 0.00 0.00 55.73 54.30 1wfu s ARG 91 Cb -0.03 -2.51 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 1wfu s ARG 91 CO -0.00 0.13 0.52 -1.17 -1.08 0.00 0.00 175.30 173.70 1wfu s LEU 92 N 0.52 4.24 0.06 -1.89 2.96 -1.26 -2.45 118.68 120.86 1wfu s LEU 92 Ca -0.11 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 1wfu s LEU 92 Cb -0.16 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 1wfu s LEU 92 CO 0.04 -0.07 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.07 1wfu s LYS 93 N 0.97 2.00 0.02 1.98 2.20 0.02 0.11 119.74 127.04 1wfu s LYS 93 Ca 0.27 -1.03 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1wfu s LYS 93 Cb -0.16 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1wfu s LYS 93 CO 0.11 0.53 -0.03 0.14 -0.36 0.00 0.00 175.35 175.73 1wfu s VAL 94 N -0.97 0.20 -0.10 4.02 -7.23 -1.08 -1.41 120.40 113.82 1wfu s VAL 94 Ca 0.15 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1wfu s VAL 94 Cb -0.10 -0.27 0.03 0.00 0.56 0.00 0.00 36.38 36.60 1wfu s VAL 94 CO 0.06 -0.27 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.68 1wfu s THR 95 N -0.88 0.61 0.95 5.32 2.01 -1.19 -0.85 115.64 121.61 1wfu s THR 95 Ca -0.08 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 1wfu s THR 95 Cb -0.06 -0.76 0.17 0.00 0.01 0.00 0.00 72.50 71.85 1wfu s THR 95 CO -0.00 0.24 1.13 -0.44 -0.69 0.00 0.00 174.62 174.86 1wfu s SER 96 N 1.87 2.58 0.00 3.53 0.01 0.24 -3.06 113.70 118.87 1wfu s SER 96 Ca 0.04 2.12 0.16 0.00 1.31 0.00 0.00 55.95 59.58 1wfu s SER 96 Cb -0.13 -2.54 0.94 0.00 0.21 0.00 0.00 66.02 64.49 1wfu s SER 96 CO -0.06 -3.31 1.35 -0.81 0.41 0.00 0.00 173.24 170.81 1wfu n PRO 97 N -4.36 0.49 -0.10 12.44 -0.04 -1.26 -2.58 135.00 139.58 1wfu n PRO 97 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1wfu n PRO 97 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1wfu n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfu n SER 98 N -1.00 1.76 0.00 3.54 7.64 -1.26 -5.03 113.62 119.27 1wfu n SER 98 Ca 0.12 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wfu n SER 98 Cb 0.05 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 99 N 2.27 1.35 3.59 0.23 0.00 -1.07 -5.14 105.19 106.43 1wfu n GLY 99 Ca -0.35 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 0.54 -3.67 1.61 4.71 -1.26 -4.65 120.64 117.91 1wfu n GLU 100 Ca 0.00 0.24 -0.14 0.00 -0.01 0.00 0.00 57.16 57.25 1wfu n GLU 100 Cb 0.00 -2.16 -0.08 0.00 -1.01 0.00 0.00 31.44 28.19 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 -1.78 -0.62 0.27 -0.32 -0.85 -1.26 0.79 117.35 113.58 1wfu s TYR 101 Ca 0.73 1.48 0.01 0.00 -0.52 0.00 0.00 57.07 58.78 1wfu s TYR 101 Cb -0.36 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 1wfu s TYR 101 CO 0.51 -0.32 0.05 0.39 -1.52 0.00 0.00 175.55 174.65 1wfu n GLU 102 N 2.61 0.97 -4.01 -3.49 -0.58 -0.03 -4.96 120.64 111.16 1wfu n GLU 102 Ca -0.14 -2.13 -0.12 0.00 -0.42 0.00 0.00 57.16 54.35 1wfu n GLU 102 Cb 0.56 0.89 -0.12 0.00 -0.57 0.00 0.00 31.44 32.19 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 -2.30 0.36 0.37 -0.32 1.51 -1.26 -2.64 117.35 113.07 1wfu s TYR 103 Ca 0.07 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1wfu s TYR 103 Cb 0.00 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 1wfu s TYR 103 CO 0.05 -0.10 0.59 -1.54 -1.11 0.00 0.00 175.55 173.44 1wfu s SER 104 N -1.03 6.28 -0.05 2.29 1.04 0.30 -4.16 113.70 118.37 1wfu s SER 104 Ca -0.09 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 1wfu s SER 104 Cb -0.07 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1wfu s SER 104 CO -0.00 -0.35 1.48 -2.16 0.98 0.00 0.00 173.24 173.19 1wfu s PRO 105 N -4.40 4.23 0.13 4.02 0.04 -1.26 -4.38 135.00 133.39 1wfu s PRO 105 Ca 0.41 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 1wfu s PRO 105 Cb -0.10 -3.76 -0.17 0.00 0.04 0.00 0.00 34.50 30.51 1wfu s PRO 105 CO 0.38 -0.71 0.65 0.28 0.04 0.00 0.00 177.00 177.64 1wfu n VAL 106 N 5.09 1.34 -3.91 -0.36 0.31 -1.26 -4.70 118.33 114.84 1wfu n VAL 106 Ca 0.15 -0.33 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 1wfu n VAL 106 Cb 0.43 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.21 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 -0.67 1.59 -0.32 2.52 -7.23 -0.62 -4.91 120.40 110.77 1wfu s VAL 107 Ca 0.69 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.97 1wfu s VAL 107 Cb -0.98 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 1wfu s VAL 107 CO 0.54 -0.45 0.71 -0.94 -0.31 0.00 0.00 175.10 174.65 1wfu s SER 108 N 1.29 6.56 -0.09 4.85 1.04 -1.26 -1.84 113.70 124.25 1wfu s SER 108 Ca 0.05 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.98 1wfu s SER 108 Cb -0.18 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1wfu s SER 108 CO -0.13 -0.58 -0.17 0.68 0.98 0.00 0.00 173.24 174.02 1wfu s VAL 109 N 2.82 1.59 -0.21 5.02 -7.23 -0.75 -4.86 120.40 116.78 1wfu s VAL 109 Ca 0.29 -0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.61 1wfu s VAL 109 Cb -0.14 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1wfu s VAL 109 CO 0.13 0.46 0.23 0.00 -0.31 0.00 0.00 175.10 175.61 1wfu s ALA 110 N 0.65 3.61 1.16 1.32 0.00 -1.26 -0.76 121.76 126.49 1wfu s ALA 110 Ca -0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1wfu s ALA 110 Cb -0.16 -2.37 0.16 0.00 0.00 0.00 0.00 23.12 20.75 1wfu s ALA 110 CO 0.04 -0.10 0.49 0.25 0.00 0.00 0.00 175.76 176.44 1wfu n THR 111 N 4.03 0.00 -3.11 0.00 -2.24 -0.76 -4.84 114.28 107.36 1wfu n THR 111 Ca -0.13 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 1wfu n THR 111 Cb 0.52 -0.88 0.05 0.00 -2.10 0.00 0.00 70.33 67.92 1wfu n THR 111 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfu n THR 112 N -3.91 0.00 -1.70 4.28 -2.24 -1.26 -3.62 114.28 105.83 1wfu n THR 112 Ca 0.07 -1.67 -0.30 0.00 -2.27 0.00 0.00 64.05 59.88 1wfu n THR 112 Cb 0.29 -0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.03 1wfu n THR 112 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wfu s ARG 113 N -4.21 2.81 0.67 -0.78 0.52 -1.26 -0.78 118.95 115.92 1wfu s ARG 113 Ca 0.49 0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 56.26 1wfu s ARG 113 Cb -0.04 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1wfu s ARG 113 CO 0.31 -1.13 1.11 -1.21 0.02 0.00 0.00 175.30 174.40 1wfu s GLU 114 N -5.18 2.76 0.35 3.54 2.02 -1.26 -4.51 118.70 116.42 1wfu s GLU 114 Ca 0.58 1.37 0.03 0.00 0.02 0.00 0.00 54.97 56.98 1wfu s GLU 114 Cb -0.13 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1wfu s GLU 114 CO 0.54 -1.28 0.11 -1.12 0.02 0.00 0.00 175.26 173.53 1wfu s SER 115 N -2.66 2.27 0.00 -0.19 0.01 -1.26 -5.11 113.70 106.76 1wfu s SER 115 Ca 0.66 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1wfu s SER 115 Cb -0.20 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1wfu s SER 115 CO 0.43 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wfu n GLY 116 N -0.74 2.99 0.17 3.44 0.00 -1.26 -5.02 105.19 104.77 1wfu n GLY 116 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1wfu n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfu h PRO 117 N 0.00 0.04 -6.37 1.61 0.13 -2.04 -3.44 132.00 121.93 1wfu h PRO 117 Ca 0.00 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.57 1wfu h PRO 117 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1wfu h PRO 117 CO 0.00 0.52 -0.21 -1.12 -0.23 0.00 0.00 178.00 176.95 1wfu s SER 118 N -6.89 6.45 -1.03 1.44 0.01 -1.26 -4.99 113.70 107.44 1wfu s SER 118 Ca -0.03 0.63 -0.24 0.00 1.31 0.00 0.00 55.95 57.63 1wfu s SER 118 Cb 0.13 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 1wfu s SER 118 CO 0.75 -0.11 1.91 -0.55 0.41 0.00 0.00 173.24 175.65 1wfu s SER 119 N -2.98 5.23 0.00 2.44 0.15 -1.26 -5.15 113.70 112.14 1wfu s SER 119 Ca 0.42 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1wfu s SER 119 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wfu s SER 119 CO 0.28 -2.75 0.00 0.61 1.20 0.00 0.00 173.24 172.58