#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 6.84 -0.02 1.61 0.01 -1.26 -4.97 113.70 115.91 1wfu s SER 2 Ca 0.00 2.62 -0.15 0.00 1.31 0.00 0.00 55.95 59.73 1wfu s SER 2 Cb 0.00 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1wfu s SER 2 CO 0.00 -0.49 0.69 0.28 0.41 0.00 0.00 173.24 174.13 1wfu h SER 3 N 3.64 -0.45 -0.16 2.44 0.02 -2.16 -3.50 113.55 113.38 1wfu h SER 3 Ca -0.48 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1wfu h SER 3 Cb 1.22 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1wfu h SER 3 CO 0.67 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1wfu n GLY 4 N 0.23 -1.86 2.97 -3.77 0.00 -1.26 -5.13 105.19 96.37 1wfu n GLY 4 Ca -0.07 -1.29 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.50 2.04 -0.25 1.61 0.01 -1.26 -5.12 113.70 108.23 1wfu s SER 5 Ca 0.00 -0.32 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 1wfu s SER 5 Cb 0.00 -0.87 0.06 0.00 0.21 0.00 0.00 66.02 65.43 1wfu s SER 5 CO 0.00 -0.04 0.65 -0.55 0.41 0.00 0.00 173.24 173.71 1wfu s SER 6 N 1.19 -0.69 -0.45 2.44 0.15 -1.26 -5.10 113.70 109.99 1wfu s SER 6 Ca -0.04 1.32 0.05 0.00 0.70 0.00 0.00 55.95 57.98 1wfu s SER 6 Cb -0.14 1.33 0.29 0.00 -1.71 0.00 0.00 66.02 65.79 1wfu s SER 6 CO -0.03 -0.23 1.07 0.61 1.20 0.00 0.00 173.24 175.87 1wfu n GLY 7 N 2.79 0.08 3.94 9.45 0.00 -1.26 -5.15 105.19 115.04 1wfu n GLY 7 Ca -0.14 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 0.39 2.44 -0.08 1.61 1.00 -1.26 -5.11 119.30 118.29 1wfu s MET 8 Ca 0.26 -0.35 -0.07 0.00 0.00 0.00 0.00 55.69 55.53 1wfu s MET 8 Cb 0.26 -2.28 0.02 0.00 0.00 0.00 0.00 34.83 32.84 1wfu s MET 8 CO -0.13 -0.98 0.21 -1.21 0.00 0.00 0.00 175.02 172.91 1wfu s GLU 9 N -5.06 0.26 1.24 2.03 2.02 -1.26 -5.17 118.70 112.76 1wfu s GLU 9 Ca 0.58 0.26 -0.20 0.00 0.02 0.00 0.00 54.97 55.62 1wfu s GLU 9 Cb -0.11 0.13 0.30 0.00 0.10 0.00 0.00 34.13 34.55 1wfu s GLU 9 CO 0.43 -0.04 1.11 -1.25 0.02 0.00 0.00 175.26 175.54 1wfu s PRO 10 N 0.03 -1.49 1.06 0.39 0.04 -1.26 -4.99 135.00 128.77 1wfu s PRO 10 Ca -0.01 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 60.65 1wfu s PRO 10 Cb -0.02 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 1wfu s PRO 10 CO 0.00 -3.87 -0.70 -2.39 0.04 0.00 0.00 177.00 170.08 1wfu n HIS 11 N -4.86 -1.37 -0.06 0.56 1.44 -1.26 -4.80 115.22 104.87 1wfu n HIS 11 Ca 0.14 0.38 -0.01 0.00 -2.01 0.00 0.00 57.72 56.22 1wfu n HIS 11 Cb 0.60 -1.47 -0.01 0.00 0.12 0.00 0.00 29.99 29.22 1wfu n HIS 11 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1wfu n LYS 12 N 0.01 -0.06 -2.01 -1.40 3.00 -1.26 -4.43 118.16 112.01 1wfu n LYS 12 Ca -0.01 0.86 -0.31 0.00 -0.00 0.00 0.00 58.31 58.85 1wfu n LYS 12 Cb 0.67 -1.28 -0.00 0.00 0.00 0.00 0.00 35.03 34.42 1wfu n LYS 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1wfu s VAL 13 N -3.41 4.66 -0.22 3.15 -7.23 -1.26 -5.06 120.40 111.03 1wfu s VAL 13 Ca -0.02 0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 61.06 1wfu s VAL 13 Cb 0.01 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 1wfu s VAL 13 CO 0.08 -1.02 0.06 0.54 -0.31 0.00 0.00 175.10 174.45 1wfu s VAL 14 N -3.03 4.42 0.93 1.32 0.11 -1.26 -4.93 120.40 117.96 1wfu s VAL 14 Ca 0.56 -0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 59.35 1wfu s VAL 14 Cb -0.11 -3.04 0.15 0.00 -1.53 0.00 0.00 36.38 31.86 1wfu s VAL 14 CO 0.48 0.38 1.09 -2.16 -3.33 0.00 0.00 175.10 171.56 1wfu s PRO 15 N 1.18 0.98 0.96 1.54 0.04 -1.26 -5.04 135.00 133.40 1wfu s PRO 15 Ca 0.04 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 1wfu s PRO 15 Cb -0.14 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.78 1wfu s PRO 15 CO 0.03 -2.40 1.11 -0.48 0.04 0.00 0.00 177.00 175.29 1wfu s LEU 16 N -6.30 1.79 0.03 -3.56 0.05 -1.26 -4.99 118.68 104.44 1wfu s LEU 16 Ca 0.64 1.14 -0.30 0.00 0.05 0.00 0.00 54.13 55.66 1wfu s LEU 16 Cb -0.18 -3.40 -0.04 0.00 -2.05 0.00 0.00 46.19 40.52 1wfu s LEU 16 CO 0.57 -2.90 1.08 -0.44 -0.55 0.00 0.00 176.35 174.11 1wfu s SER 17 N -3.64 7.24 0.25 1.48 0.01 -1.26 -4.94 113.70 112.85 1wfu s SER 17 Ca 0.65 1.82 -0.28 0.00 1.31 0.00 0.00 55.95 59.45 1wfu s SER 17 Cb -0.17 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 1wfu s SER 17 CO 0.56 -0.35 0.73 0.29 0.41 0.00 0.00 173.24 174.88 1wfu n LYS 18 N 3.91 0.63 -1.14 12.44 5.02 -1.26 -4.94 118.16 132.83 1wfu n LYS 18 Ca 0.07 0.22 -0.29 0.00 -2.02 0.00 0.00 58.31 56.30 1wfu n LYS 18 Cb 0.49 -1.40 0.20 0.00 -0.02 0.00 0.00 35.03 34.30 1wfu n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wfu s PRO 19 N -1.28 -0.11 0.21 1.97 0.04 -1.26 -5.02 135.00 129.55 1wfu s PRO 19 Ca 0.61 0.33 0.06 0.00 0.04 0.00 0.00 61.00 62.05 1wfu s PRO 19 Cb -0.81 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1wfu s PRO 19 CO 0.58 -3.05 0.18 -1.01 0.04 0.00 0.00 177.00 173.74 1wfu s HIS 20 N -2.98 3.16 0.29 0.56 3.76 -1.26 -4.53 115.29 114.28 1wfu s HIS 20 Ca 0.67 -0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 55.23 1wfu s HIS 20 Cb -0.16 -1.47 -0.10 0.00 1.11 0.00 0.00 32.58 31.96 1wfu s HIS 20 CO 0.57 0.52 1.24 -1.25 -0.85 0.00 0.00 174.74 174.97 1wfu s PRO 21 N -3.50 4.45 0.33 8.40 0.04 -1.26 -4.86 135.00 138.60 1wfu s PRO 21 Ca 0.32 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 1wfu s PRO 21 Cb -0.09 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 1wfu s PRO 21 CO 0.25 -0.08 1.22 -1.25 0.04 0.00 0.00 177.00 177.18 1wfu s PRO 22 N -1.32 4.38 0.44 0.56 0.04 -1.26 -4.97 135.00 132.87 1wfu s PRO 22 Ca 0.49 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 1wfu s PRO 22 Cb -0.37 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 1wfu s PRO 22 CO 0.46 -0.10 0.84 0.08 0.04 0.00 0.00 177.00 178.32 1wfu s VAL 23 N -1.20 4.71 -0.52 -0.36 1.01 -0.99 -4.86 120.40 118.20 1wfu s VAL 23 Ca 0.49 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wfu s VAL 23 Cb -0.36 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.43 1wfu s VAL 23 CO 0.47 -0.58 0.34 -0.69 0.00 0.00 0.00 175.10 174.64 1wfu s VAL 24 N -2.46 3.71 0.00 2.92 1.01 -1.26 -1.76 120.40 122.56 1wfu s VAL 24 Ca 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1wfu s VAL 24 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1wfu s VAL 24 CO 0.32 -0.79 0.08 0.61 0.00 0.00 0.00 175.10 175.31 1wfu n GLY 25 N 4.19 -0.36 3.74 4.51 0.00 -1.18 -4.82 105.19 111.26 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 -0.16 4.59 -0.30 1.61 2.20 -1.26 -4.95 119.74 121.47 1wfu s LYS 26 Ca 0.00 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 56.88 1wfu s LYS 26 Cb 0.00 -3.37 0.08 0.00 -1.51 0.00 0.00 37.83 33.03 1wfu s LYS 26 CO 0.00 0.25 -0.01 0.54 -0.36 0.00 0.00 175.35 175.77 1wfu s VAL 27 N -0.03 2.03 0.33 4.02 0.11 -1.26 -0.96 120.40 124.64 1wfu s VAL 27 Ca 0.42 -1.89 0.08 0.00 -2.93 0.00 0.00 61.98 57.66 1wfu s VAL 27 Cb -0.22 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1wfu s VAL 27 CO 0.26 -0.35 0.21 0.42 -3.33 0.00 0.00 175.10 172.31 1wfu s THR 28 N 1.09 3.41 -2.06 5.04 -4.23 -0.87 -4.52 115.64 113.50 1wfu s THR 28 Ca 0.02 -1.53 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1wfu s THR 28 Cb -0.19 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.84 1wfu s THR 28 CO -0.08 -0.20 1.31 0.00 -0.54 0.00 0.00 174.62 175.11 1wfu n HIS 29 N -1.24 0.24 0.00 3.99 1.44 -1.25 -2.89 115.22 115.51 1wfu n HIS 29 Ca -0.03 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1wfu n HIS 29 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 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 0.07 0.00 -3.79 -1.40 -0.00 -1.26 -3.34 115.22 105.49 1wfu n HIS 30 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.78 1wfu n HIS 30 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.19 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 -0.86 -0.12 -0.06 4.39 0.01 -1.22 -1.89 113.70 113.94 1wfu s SER 31 Ca 0.00 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1wfu s SER 31 Cb 0.00 0.52 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1wfu s SER 31 CO 0.00 -0.99 -0.05 -0.63 0.41 0.00 0.00 173.24 171.98 1wfu s ILE 32 N -2.97 0.62 0.13 1.44 1.01 -1.07 -2.06 121.20 118.30 1wfu s ILE 32 Ca 0.15 -0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 1wfu s ILE 32 Cb -0.02 -0.66 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 1wfu s ILE 32 CO 0.04 0.26 0.81 -0.70 0.00 0.00 0.00 174.94 175.35 1wfu s GLU 33 N 1.18 4.59 -0.01 2.79 2.12 -0.14 -1.54 118.70 127.70 1wfu s GLU 33 Ca -0.07 1.19 -0.01 0.00 0.36 0.00 0.00 54.97 56.45 1wfu s GLU 33 Cb -0.14 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1wfu s GLU 33 CO -0.01 0.44 0.03 -0.51 -0.54 0.00 0.00 175.26 174.66 1wfu s LEU 34 N -0.69 1.84 -0.14 2.70 1.43 -1.01 -3.11 118.68 119.71 1wfu s LEU 34 Ca 0.38 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1wfu s LEU 34 Cb -0.23 0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.15 1wfu s LEU 34 CO 0.26 -0.02 0.30 -0.72 0.23 0.00 0.00 176.35 176.41 1wfu s TYR 35 N 0.07 -0.48 -0.28 0.29 -0.85 -0.72 -0.12 117.35 115.26 1wfu s TYR 35 Ca -0.00 1.06 0.09 0.00 -0.52 0.00 0.00 57.07 57.69 1wfu s TYR 35 Cb -0.01 0.08 0.46 0.00 0.38 0.00 0.00 41.96 42.87 1wfu s TYR 35 CO -0.00 -0.34 1.19 -2.67 -1.52 0.00 0.00 175.55 172.20 1wfu n TRP 36 N 4.94 2.29 0.88 -3.49 2.14 -0.76 -2.34 117.44 121.10 1wfu n TRP 36 Ca -0.14 -2.11 -0.00 0.00 2.07 0.00 0.00 57.50 57.32 1wfu n TRP 36 Cb 0.51 -0.32 0.02 0.00 -0.81 0.00 0.00 31.31 30.71 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 -0.74 2.16 -0.05 -0.67 5.68 -1.26 -3.43 116.55 118.23 1wfu n ASP 37 Ca 0.38 -2.07 -0.06 0.00 -0.50 0.00 0.00 54.79 52.54 1wfu n ASP 37 Cb 0.93 -0.52 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 1wfu n ASP 37 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wfu n LEU 38 N 0.22 0.33 -0.03 -2.12 4.32 -1.26 -3.93 117.00 114.52 1wfu n LEU 38 Ca 0.03 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.08 1wfu n LEU 38 Cb 0.44 0.31 -0.07 0.00 -1.62 0.00 0.00 43.42 42.47 1wfu n LEU 38 CO 0.03 0.37 0.26 1.05 -1.22 0.00 0.00 177.39 177.88 1wfu h GLU 39 N 0.00 -0.05 -1.00 3.23 4.11 -1.97 -3.30 114.58 115.61 1wfu h GLU 39 Ca -0.37 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.98 1wfu h GLU 39 Cb 1.96 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.17 1wfu h GLU 39 CO 0.04 0.48 0.10 0.00 0.07 0.00 0.00 179.01 179.70 1wfu n GLN 40 N -4.74 1.21 0.14 1.06 -0.00 -1.26 -4.29 117.38 109.50 1wfu n GLN 40 Ca -0.06 -0.48 -0.14 0.00 -0.00 0.00 0.00 57.00 56.32 1wfu n GLN 40 Cb 0.27 -1.20 -0.08 0.00 -0.00 0.00 0.00 30.24 29.22 1wfu n GLN 40 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1wfu h LYS 41 N 0.18 -0.33 -6.01 2.61 3.64 -1.68 -3.44 116.57 111.53 1wfu h LYS 41 Ca 0.10 0.02 -0.79 0.00 -1.27 0.00 0.00 60.65 58.71 1wfu h LYS 41 Cb 1.28 0.07 0.05 0.00 -0.41 0.00 0.00 32.23 33.22 1wfu h LYS 41 CO 0.17 -0.08 0.13 -1.91 -2.27 0.00 0.00 179.45 175.49 1wfu n GLU 42 N -5.15 0.06 -0.96 1.90 2.13 -1.26 -4.76 120.64 112.59 1wfu n GLU 42 Ca -0.09 0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.43 1wfu n GLU 42 Cb 0.21 -1.53 0.02 0.00 0.27 0.00 0.00 31.44 30.41 1wfu n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wfu n LYS 43 N 1.77 0.00 -0.26 5.31 5.02 -1.26 -4.82 118.16 123.91 1wfu n LYS 43 Ca 0.21 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.45 1wfu n LYS 43 Cb 0.07 -0.82 0.09 0.00 -0.02 0.00 0.00 35.03 34.35 1wfu n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfu h ARG 44 N -0.24 1.13 -6.73 1.97 -0.00 -1.91 -3.46 114.38 105.15 1wfu h ARG 44 Ca -0.34 -0.21 -0.55 0.00 -0.50 0.00 0.00 59.98 58.38 1wfu h ARG 44 Cb 1.15 -0.18 -0.18 0.00 0.00 0.00 0.00 29.97 30.76 1wfu h ARG 44 CO 0.30 0.93 -0.85 1.04 0.00 0.00 0.00 179.97 181.39 1wfu n GLN 45 N -4.27 -3.00 0.00 0.04 1.13 -1.26 -4.82 117.38 105.19 1wfu n GLN 45 Ca 0.07 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1wfu n GLN 45 Cb 0.20 -4.90 0.00 0.00 0.11 0.00 0.00 30.24 25.65 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 -1.56 0.23 3.77 1.08 0.00 -1.26 -5.13 105.19 102.31 1wfu n GLY 46 Ca -0.02 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.00 2.36 0.36 1.61 0.04 -1.26 -4.87 135.00 131.24 1wfu s PRO 47 Ca 0.00 1.22 0.14 0.00 0.04 0.00 0.00 61.00 62.39 1wfu s PRO 47 Cb 0.00 -1.91 0.97 0.00 0.04 0.00 0.00 34.50 33.61 1wfu s PRO 47 CO 0.00 -1.57 1.77 0.37 0.04 0.00 0.00 177.00 177.62 1wfu h GLN 48 N -0.89 0.51 -0.56 4.56 4.15 -1.99 0.41 115.11 121.29 1wfu h GLN 48 Ca -0.44 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.11 1wfu h GLN 48 Cb 1.23 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1wfu h GLN 48 CO 0.52 0.33 0.40 0.93 -1.93 0.00 0.00 178.83 179.08 1wfu h GLU 49 N 0.52 0.03 -0.98 1.69 4.39 -2.03 0.14 114.58 118.35 1wfu h GLU 49 Ca 0.59 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 60.14 1wfu h GLU 49 Cb 1.27 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.83 1wfu h GLU 49 CO -0.34 0.02 0.18 0.94 -1.16 0.00 0.00 179.01 178.65 1wfu n GLN 50 N -4.38 1.55 -4.00 2.33 -0.06 0.15 -4.87 117.38 108.09 1wfu n GLN 50 Ca 0.10 -1.00 -0.31 0.00 -2.00 0.00 0.00 57.00 53.80 1wfu n GLN 50 Cb 0.62 -1.45 -0.06 0.00 -4.06 0.00 0.00 30.24 25.29 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1wfu s TRP 51 N -1.16 3.34 0.64 3.69 0.52 0.50 -4.93 118.94 121.54 1wfu s TRP 51 Ca 0.19 0.18 -0.09 0.00 0.02 0.00 0.00 56.10 56.40 1wfu s TRP 51 Cb 0.15 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1wfu s TRP 51 CO 0.04 0.56 0.99 -0.51 0.02 0.00 0.00 176.95 178.05 1wfu s LEU 52 N -2.26 3.10 0.11 2.99 1.02 -1.26 -4.70 118.68 117.68 1wfu s LEU 52 Ca 0.30 0.94 0.03 0.00 0.02 0.00 0.00 54.13 55.42 1wfu s LEU 52 Cb -0.12 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 1wfu s LEU 52 CO 0.22 -1.16 0.13 -0.60 0.02 0.00 0.00 176.35 174.96 1wfu s ARG 53 N -5.15 3.00 -0.14 1.70 3.52 -1.21 -4.77 118.95 115.90 1wfu s ARG 53 Ca 0.56 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 55.43 1wfu s ARG 53 Cb -0.11 -2.76 0.04 0.00 -1.56 0.00 0.00 34.95 30.57 1wfu s ARG 53 CO 0.48 0.54 0.01 -0.06 -0.81 0.00 0.00 175.30 175.47 1wfu s PHE 54 N -1.54 0.96 -0.25 5.12 0.08 -0.55 -3.15 117.98 118.64 1wfu s PHE 54 Ca 0.31 -0.59 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 1wfu s PHE 54 Cb -0.12 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 1wfu s PHE 54 CO 0.24 -0.49 -0.07 -1.12 -0.10 0.00 0.00 175.22 173.67 1wfu s SER 55 N 1.88 4.30 -0.13 1.36 0.01 -0.86 -2.29 113.70 117.97 1wfu s SER 55 Ca 0.02 -1.00 -0.13 0.00 1.31 0.00 0.00 55.95 56.15 1wfu s SER 55 Cb -0.15 -1.63 -0.05 0.00 0.21 0.00 0.00 66.02 64.40 1wfu s SER 55 CO -0.07 -0.14 0.30 -0.63 0.41 0.00 0.00 173.24 173.11 1wfu s ILE 56 N 1.27 5.28 0.31 1.44 -1.09 0.25 -1.85 121.20 126.81 1wfu s ILE 56 Ca -0.02 0.57 0.05 0.00 -2.23 0.00 0.00 60.65 59.02 1wfu s ILE 56 Cb -0.17 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1wfu s ILE 56 CO -0.05 0.44 0.01 -1.61 -1.23 0.00 0.00 174.94 172.50 1wfu s GLU 57 N 0.06 1.62 -0.00 2.79 2.02 -0.87 -1.12 118.70 123.21 1wfu s GLU 57 Ca 0.18 -1.87 -0.10 0.00 0.02 0.00 0.00 54.97 53.20 1wfu s GLU 57 Cb -0.14 -1.01 0.01 0.00 0.10 0.00 0.00 34.13 33.09 1wfu s GLU 57 CO 0.06 -0.09 0.20 -2.00 0.02 0.00 0.00 175.26 173.44 1wfu s GLU 58 N -3.82 0.55 0.27 1.61 2.12 -0.29 -1.22 118.70 117.92 1wfu s GLU 58 Ca 0.33 -0.34 -0.15 0.00 0.36 0.00 0.00 54.97 55.18 1wfu s GLU 58 Cb 0.07 0.23 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1wfu s GLU 58 CO 0.14 -0.14 0.69 -2.00 -0.54 0.00 0.00 175.26 173.41 1wfu s GLU 59 N -1.39 4.01 -0.19 4.30 2.12 -1.18 -0.80 118.70 125.57 1wfu s GLU 59 Ca -0.14 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.73 1wfu s GLU 59 Cb -0.07 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 1wfu s GLU 59 CO 0.02 0.25 0.06 -0.51 -0.54 0.00 0.00 175.26 174.55 1wfu s ASP 60 N -2.13 5.62 0.33 -1.70 1.11 0.23 -4.80 116.67 115.33 1wfu s ASP 60 Ca 0.50 0.07 0.12 0.00 0.18 0.00 0.00 52.55 53.41 1wfu s ASP 60 Cb -0.12 -1.96 0.55 0.00 1.07 0.00 0.00 42.92 42.46 1wfu s ASP 60 CO 0.19 0.16 1.73 1.55 1.18 0.00 0.00 175.17 179.98 1wfu h PRO 61 N 6.77 0.00 0.03 8.23 0.13 -1.96 0.92 132.00 146.12 1wfu h PRO 61 Ca -0.37 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.39 1wfu h PRO 61 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1wfu h PRO 61 CO 0.70 0.48 -2.26 0.36 -0.23 0.00 0.00 178.00 177.05 1wfu n LYS 62 N -3.96 0.68 0.00 0.86 -0.00 -1.26 -4.27 118.16 110.22 1wfu n LYS 62 Ca -0.02 0.16 0.12 0.00 -0.00 0.00 0.00 58.31 58.57 1wfu n LYS 62 Cb 0.50 -1.59 0.31 0.00 -0.00 0.00 0.00 35.03 34.24 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1wfu n MET 63 N -3.17 0.42 -2.81 -1.58 2.81 -1.23 -4.93 117.12 106.64 1wfu n MET 63 Ca -0.36 -0.25 -0.09 0.00 -1.81 0.00 0.00 57.70 55.19 1wfu n MET 63 Cb 1.05 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 32.05 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 -1.08 -1.78 -4.22 2.03 8.25 0.32 -4.88 115.22 113.86 1wfu n HIS 64 Ca 0.09 0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.55 1wfu n HIS 64 Cb 0.34 -1.59 -0.10 0.00 1.12 0.00 0.00 29.99 29.76 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 -2.22 1.35 0.30 0.41 0.15 -1.22 -4.82 113.70 107.65 1wfu s SER 65 Ca 0.13 -1.07 -0.01 0.00 0.70 0.00 0.00 55.95 55.71 1wfu s SER 65 Cb -0.08 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1wfu s SER 65 CO 0.16 -0.47 0.50 -0.31 1.20 0.00 0.00 173.24 174.33 1wfu s TYR 66 N -3.55 3.49 -0.11 3.44 1.51 -1.26 0.78 117.35 121.64 1wfu s TYR 66 Ca 0.17 0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 56.45 1wfu s TYR 66 Cb 0.05 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1wfu s TYR 66 CO -0.00 0.21 0.46 0.20 -1.11 0.00 0.00 175.55 175.30 1wfu s GLY 67 N -3.64 -0.33 -0.61 0.71 0.00 0.02 -4.92 107.32 98.55 1wfu s GLY 67 Ca 0.40 1.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.90 1wfu s GLY 67 CO 0.33 0.84 1.57 0.14 0.00 0.00 0.00 173.10 175.98 1wfu s VAL 68 N -0.38 3.59 0.05 1.40 1.01 -1.26 -1.14 120.40 123.66 1wfu s VAL 68 Ca -0.05 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1wfu s VAL 68 Cb -0.03 -4.32 -0.31 0.00 0.00 0.00 0.00 36.38 31.72 1wfu s VAL 68 CO 0.03 -1.20 1.04 0.16 0.00 0.00 0.00 175.10 175.13 1wfu h ILE 69 N 6.51 1.36 -3.87 2.22 3.07 -1.45 -3.47 117.51 121.88 1wfu h ILE 69 Ca -0.27 -2.89 -0.24 0.00 1.55 0.00 0.00 64.86 63.00 1wfu h ILE 69 Cb 1.11 2.95 -0.25 0.00 -0.27 0.00 0.00 36.82 40.36 1wfu h ILE 69 CO 1.21 0.86 -0.72 -0.47 -1.05 0.00 0.00 178.15 177.97 1wfu s TYR 70 N -2.63 0.27 -0.20 0.16 5.04 -0.89 -5.03 117.35 114.07 1wfu s TYR 70 Ca -0.07 -0.23 -0.06 0.00 -2.44 0.00 0.00 57.07 54.27 1wfu s TYR 70 Cb 0.06 -0.17 0.10 0.00 0.35 0.00 0.00 41.96 42.29 1wfu s TYR 70 CO 0.90 -0.06 0.41 -0.08 -1.34 0.00 0.00 175.55 175.38 1wfu s THR 71 N -0.61 -0.64 0.00 4.34 -1.32 -1.26 -0.59 115.64 115.57 1wfu s THR 71 Ca -0.05 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1wfu s THR 71 Cb -0.04 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1wfu s THR 71 CO -0.00 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1wfu n GLY 72 N 5.39 1.41 0.40 6.08 0.00 -0.97 -5.02 105.19 112.47 1wfu n GLY 72 Ca -0.08 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.84 1.61 4.02 -1.26 -1.48 117.16 117.21 1wfu n TYR 73 Ca 0.00 -1.10 -0.22 0.00 -0.01 0.00 0.00 57.90 56.57 1wfu n TYR 73 Cb 0.00 -0.18 0.09 0.00 -0.02 0.00 0.00 39.34 39.23 1wfu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfu s ALA 74 N -2.66 4.27 -0.01 -0.72 0.00 -1.26 -4.94 121.76 116.44 1wfu s ALA 74 Ca 0.32 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1wfu s ALA 74 Cb 0.30 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1wfu s ALA 74 CO -0.02 -1.24 -0.00 0.25 0.00 0.00 0.00 175.76 174.75 1wfu n THR 75 N -2.58 0.04 -3.27 0.00 -2.24 -1.26 -4.76 114.28 100.21 1wfu n THR 75 Ca 0.17 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.62 1wfu n THR 75 Cb 0.61 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.01 3.81 -0.30 -0.78 3.52 -1.26 -1.82 118.95 120.11 1wfu s ARG 76 Ca -0.01 0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 1wfu s ARG 76 Cb 0.00 -2.57 0.19 0.00 -1.56 0.00 0.00 34.95 31.01 1wfu s ARG 76 CO 0.02 0.22 0.68 -1.58 -0.81 0.00 0.00 175.30 173.83 1wfu s HIS 77 N -1.97 -1.44 -0.60 5.12 2.46 0.83 -4.97 115.29 114.73 1wfu s HIS 77 Ca 0.49 1.44 -0.18 0.00 0.47 0.00 0.00 55.06 57.28 1wfu s HIS 77 Cb -0.11 0.47 0.12 0.00 -0.13 0.00 0.00 32.58 32.94 1wfu s HIS 77 CO 0.23 -0.79 0.65 0.08 -2.47 0.00 0.00 174.74 172.44 1wfu s VAL 78 N 2.87 5.01 -0.48 0.89 1.01 -1.26 -2.39 120.40 126.05 1wfu s VAL 78 Ca 0.16 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 1wfu s VAL 78 Cb -0.13 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 1wfu s VAL 78 CO -0.20 -1.04 2.41 0.52 0.00 0.00 0.00 175.10 176.79 1wfu n VAL 79 N 5.33 -0.02 -1.88 2.92 0.31 -0.59 -4.81 118.33 119.59 1wfu n VAL 79 Ca -0.09 -0.71 -0.29 0.00 -0.01 0.00 0.00 64.34 63.25 1wfu n VAL 79 Cb 0.42 -2.62 0.08 0.00 -0.91 0.00 0.00 33.84 30.81 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 8.05 2.07 -0.57 5.55 2.02 -1.26 -2.58 118.70 131.99 1wfu s GLU 80 Ca 1.01 0.17 -0.11 0.00 0.02 0.00 0.00 54.97 56.07 1wfu s GLU 80 Cb -0.27 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.02 1wfu s GLU 80 CO 0.29 -1.53 0.64 0.41 0.02 0.00 0.00 175.26 175.09 1wfu n GLY 81 N -3.23 -1.21 3.20 -1.39 0.00 -1.21 -4.97 105.19 96.38 1wfu n GLY 81 Ca 0.08 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 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 -3.23 2.48 0.09 0.99 1.43 -0.79 -5.00 118.68 114.66 1wfu s LEU 82 Ca 0.15 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1wfu s LEU 82 Cb -0.04 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1wfu s LEU 82 CO 0.77 -0.36 0.26 -1.61 0.23 0.00 0.00 176.35 175.64 1wfu s GLU 83 N -3.48 3.48 0.46 1.70 2.02 -1.26 -4.45 118.70 117.18 1wfu s GLU 83 Ca 0.11 -0.37 -0.23 0.00 0.02 0.00 0.00 54.97 54.50 1wfu s GLU 83 Cb 0.02 -2.99 -0.07 0.00 0.10 0.00 0.00 34.13 31.19 1wfu s GLU 83 CO -0.02 0.57 1.16 -1.25 0.02 0.00 0.00 175.26 175.74 1wfu s PRO 84 N -2.62 3.74 -1.41 0.39 0.04 -1.21 -3.23 135.00 130.70 1wfu s PRO 84 Ca 0.36 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 1wfu s PRO 84 Cb -0.13 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1wfu s PRO 84 CO 0.27 -0.56 0.63 0.54 0.04 0.00 0.00 177.00 177.92 1wfu n ARG 85 N -0.53 -4.23 -4.95 4.56 5.12 -1.15 -4.96 116.66 110.52 1wfu n ARG 85 Ca 0.07 0.60 -0.30 0.00 -1.93 0.00 0.00 57.85 56.30 1wfu n ARG 85 Cb 0.48 -5.39 -0.15 0.00 -1.16 0.00 0.00 32.46 26.24 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 -3.07 2.06 0.17 0.55 2.01 -1.20 -4.90 115.64 111.25 1wfu s THR 86 Ca 0.44 -1.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1wfu s THR 86 Cb -0.22 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 1wfu s THR 86 CO 0.54 0.39 0.46 -0.22 -0.69 0.00 0.00 174.62 175.10 1wfu s LEU 87 N -1.11 4.25 -0.04 4.42 2.96 -1.26 -1.08 118.68 126.82 1wfu s LEU 87 Ca 0.11 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1wfu s LEU 87 Cb -0.10 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1wfu s LEU 87 CO 0.01 0.03 0.09 -0.31 -1.32 0.00 0.00 176.35 174.86 1wfu s TYR 88 N -1.66 -0.08 -0.16 5.38 1.51 0.19 -4.92 117.35 117.61 1wfu s TYR 88 Ca 0.42 0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.73 1wfu s TYR 88 Cb -0.12 -0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1wfu s TYR 88 CO 0.22 -0.12 0.06 0.15 -1.11 0.00 0.00 175.55 174.75 1wfu s LYS 89 N 0.94 3.72 -0.02 -0.62 1.02 -1.26 -0.90 119.74 122.62 1wfu s LYS 89 Ca -0.07 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.60 1wfu s LYS 89 Cb -0.10 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1wfu s LYS 89 CO -0.04 0.42 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.67 1wfu s PHE 90 N -0.04 0.83 -0.15 3.18 0.08 -1.17 -3.11 117.98 117.60 1wfu s PHE 90 Ca 0.06 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 1wfu s PHE 90 Cb -0.12 -0.59 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1wfu s PHE 90 CO 0.01 -0.07 -0.13 -0.98 -0.10 0.00 0.00 175.22 173.94 1wfu s ARG 91 N 0.11 3.30 -0.15 0.44 1.70 -0.36 -2.25 118.95 121.75 1wfu s ARG 91 Ca -0.01 -0.71 -0.19 0.00 -0.47 0.00 0.00 55.73 54.34 1wfu s ARG 91 Cb -0.07 -2.66 -0.04 0.00 -0.57 0.00 0.00 34.95 31.61 1wfu s ARG 91 CO 0.00 0.08 0.53 -1.17 -1.08 0.00 0.00 175.30 173.66 1wfu s LEU 92 N 0.68 4.23 0.07 -1.89 2.96 -1.26 -2.05 118.68 121.41 1wfu s LEU 92 Ca -0.07 0.81 0.09 0.00 -0.22 0.00 0.00 54.13 54.74 1wfu s LEU 92 Cb -0.15 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1wfu s LEU 92 CO 0.02 -0.09 -0.22 -0.75 -1.32 0.00 0.00 176.35 173.99 1wfu s LYS 93 N 1.09 1.85 0.02 1.98 2.20 -0.77 0.63 119.74 126.74 1wfu s LYS 93 Ca 0.27 -1.10 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 1wfu s LYS 93 Cb -0.16 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1wfu s LYS 93 CO 0.11 0.51 -0.05 0.14 -0.36 0.00 0.00 175.35 175.70 1wfu s VAL 94 N -0.94 0.33 -0.14 4.02 -7.23 -1.06 -2.03 120.40 113.35 1wfu s VAL 94 Ca 0.14 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1wfu s VAL 94 Cb -0.10 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.49 1wfu s VAL 94 CO 0.05 -0.31 0.06 -0.89 -0.31 0.00 0.00 175.10 173.70 1wfu s THR 95 N -1.08 0.09 0.93 5.32 2.01 -1.19 -0.95 115.64 120.77 1wfu s THR 95 Ca -0.09 -0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1wfu s THR 95 Cb -0.08 -0.58 0.05 0.00 0.01 0.00 0.00 72.50 71.90 1wfu s THR 95 CO -0.00 -0.11 0.52 -1.20 -0.69 0.00 0.00 174.62 173.14 1wfu n SER 96 N 5.22 -1.67 0.00 3.53 7.64 0.36 -3.30 113.62 125.40 1wfu n SER 96 Ca -0.07 0.36 0.08 0.00 1.01 0.00 0.00 58.87 60.25 1wfu n SER 96 Cb 0.49 -1.25 0.46 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.99 0.49 -0.09 1.43 -0.04 -1.26 -2.63 135.00 130.89 1wfu n PRO 97 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1wfu n PRO 97 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.01 2.05 0.00 3.54 7.64 -1.26 -5.03 113.62 119.55 1wfu n SER 98 Ca 0.12 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wfu n SER 98 Cb 0.06 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 2.39 1.26 3.60 0.23 0.00 -1.08 -5.14 105.19 106.45 1wfu n GLY 99 Ca -0.33 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 0.72 -3.56 1.61 4.71 -1.26 -4.64 120.64 118.21 1wfu n GLU 100 Ca 0.00 0.29 -0.14 0.00 -0.01 0.00 0.00 57.16 57.30 1wfu n GLU 100 Cb 0.00 -2.14 -0.05 0.00 -1.01 0.00 0.00 31.44 28.24 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 -1.63 -0.43 0.20 -0.32 1.13 -1.26 0.14 117.35 115.18 1wfu s TYR 101 Ca 0.75 0.44 0.02 0.00 -1.41 0.00 0.00 57.07 56.87 1wfu s TYR 101 Cb -0.39 0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 40.82 1wfu s TYR 101 CO 0.48 -0.66 0.23 0.39 -2.51 0.00 0.00 175.55 173.48 1wfu n GLU 102 N 0.31 0.33 -4.04 -3.49 -0.58 -0.12 -4.85 120.64 108.19 1wfu n GLU 102 Ca -0.18 -1.76 -0.13 0.00 -0.42 0.00 0.00 57.16 54.67 1wfu n GLU 102 Cb 0.61 1.57 -0.12 0.00 -0.57 0.00 0.00 31.44 32.93 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 -3.32 0.48 0.34 -0.32 2.02 -1.26 -2.58 117.35 112.71 1wfu s TYR 103 Ca 0.20 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1wfu s TYR 103 Cb 0.00 -0.30 -0.03 0.00 -0.40 0.00 0.00 41.96 41.23 1wfu s TYR 103 CO 0.14 -0.09 0.53 -1.54 -1.57 0.00 0.00 175.55 173.02 1wfu s SER 104 N -1.14 6.23 -0.07 2.29 1.04 0.21 -4.19 113.70 118.07 1wfu s SER 104 Ca -0.08 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 1wfu s SER 104 Cb -0.08 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1wfu s SER 104 CO -0.00 -0.31 1.51 -2.16 0.98 0.00 0.00 173.24 173.26 1wfu s PRO 105 N -4.28 4.21 0.10 4.02 0.04 -1.26 -4.40 135.00 133.42 1wfu s PRO 105 Ca 0.40 2.01 -0.35 0.00 0.04 0.00 0.00 61.00 63.11 1wfu s PRO 105 Cb -0.10 -3.85 -0.18 0.00 0.04 0.00 0.00 34.50 30.42 1wfu s PRO 105 CO 0.35 -0.76 0.90 0.28 0.04 0.00 0.00 177.00 177.80 1wfu n VAL 106 N 5.29 0.84 -3.98 -0.36 0.31 -1.26 -4.73 118.33 114.45 1wfu n VAL 106 Ca 0.16 -0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 63.97 1wfu n VAL 106 Cb 0.43 -0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.37 1.99 -0.01 2.52 -7.23 -0.95 -4.95 120.40 111.40 1wfu s VAL 107 Ca 0.79 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 1wfu s VAL 107 Cb -1.08 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1wfu s VAL 107 CO 0.56 -0.45 0.83 -0.94 -0.31 0.00 0.00 175.10 174.78 1wfu s SER 108 N 1.08 7.20 0.01 4.85 1.04 -1.26 -3.03 113.70 123.59 1wfu s SER 108 Ca 0.05 1.45 0.01 0.00 0.48 0.00 0.00 55.95 57.94 1wfu s SER 108 Cb -0.19 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 1wfu s SER 108 CO -0.09 -0.13 -0.04 0.68 0.98 0.00 0.00 173.24 174.64 1wfu s VAL 109 N 0.61 0.28 -0.18 5.02 -7.23 -0.08 -4.91 120.40 113.91 1wfu s VAL 109 Ca 0.43 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1wfu s VAL 109 Cb -0.20 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1wfu s VAL 109 CO 0.23 -0.05 -0.01 0.00 -0.31 0.00 0.00 175.10 174.97 1wfu s ALA 110 N -0.39 3.05 1.39 1.32 0.00 -1.26 0.55 121.76 126.42 1wfu s ALA 110 Ca -0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 1wfu s ALA 110 Cb -0.03 -1.71 0.33 0.00 0.00 0.00 0.00 23.12 21.70 1wfu s ALA 110 CO -0.00 -0.01 0.83 0.25 0.00 0.00 0.00 175.76 176.83 1wfu n THR 111 N 3.97 0.00 -3.05 0.00 -2.24 -0.24 -4.89 114.28 107.83 1wfu n THR 111 Ca -0.17 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1wfu n THR 111 Cb 0.52 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1wfu n THR 111 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfu s THR 112 N -2.18 3.80 0.51 4.28 -4.23 -1.14 -4.06 115.64 112.63 1wfu s THR 112 Ca 0.61 -0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 60.27 1wfu s THR 112 Cb -0.10 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 1wfu s THR 112 CO 0.50 -0.23 1.07 0.00 -0.54 0.00 0.00 174.62 175.41 1wfu s ARG 113 N -4.49 3.63 1.45 3.99 1.70 -1.26 -2.95 118.95 121.02 1wfu s ARG 113 Ca 0.49 1.42 -0.24 0.00 -0.47 0.00 0.00 55.73 56.93 1wfu s ARG 113 Cb -0.10 -2.06 0.38 0.00 -0.57 0.00 0.00 34.95 32.59 1wfu s ARG 113 CO 0.36 -0.58 0.86 0.39 -1.08 0.00 0.00 175.30 175.25 1wfu n GLU 114 N -1.15 -4.83 0.00 3.89 1.02 -1.26 -4.67 120.64 113.64 1wfu n GLU 114 Ca 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 1wfu n GLU 114 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1wfu n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wfu n SER 115 N -5.78 0.80 0.00 1.62 2.88 -1.26 -5.09 113.62 106.79 1wfu n SER 115 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wfu n SER 115 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1wfu n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 116 N 2.42 0.70 3.63 0.46 0.00 -1.26 -5.07 105.19 106.07 1wfu n GLY 116 Ca 0.00 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1wfu n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 117 N 0.00 3.86 -0.18 1.61 0.04 -1.26 -4.97 135.00 134.10 1wfu s PRO 117 Ca 0.00 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1wfu s PRO 117 Cb 0.00 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.52 1wfu s PRO 117 CO 0.00 -1.22 1.13 -1.12 0.04 0.00 0.00 177.00 175.83 1wfu s SER 118 N 4.01 7.06 -0.17 6.66 0.01 -1.26 -5.01 113.70 125.01 1wfu s SER 118 Ca 0.71 1.54 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 1wfu s SER 118 Cb -0.26 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.50 1wfu s SER 118 CO 0.28 -0.67 0.38 -0.94 0.41 0.00 0.00 173.24 172.71 1wfu s SER 119 N 1.47 -0.32 0.00 2.44 1.04 -1.26 -5.28 113.70 111.79 1wfu s SER 119 Ca 0.49 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1wfu s SER 119 Cb -0.19 0.91 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1wfu s SER 119 CO 0.12 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.74