#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 -1.04 0.07 1.61 3.41 -1.26 -4.79 113.62 111.62 1wfu n SER 2 Ca 0.00 -1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 57.44 1wfu n SER 2 Cb 0.00 -1.33 -0.09 0.00 -0.26 0.00 0.00 64.21 62.54 1wfu n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wfu h SER 3 N -0.85 -0.16 -4.78 4.04 0.02 -2.16 -3.50 113.55 106.17 1wfu h SER 3 Ca -0.51 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1wfu h SER 3 Cb 1.16 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1wfu h SER 3 CO 0.71 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.20 1wfu n GLY 4 N -0.26 0.93 3.42 -3.77 0.00 -1.26 -5.08 105.19 99.17 1wfu n GLY 4 Ca -0.09 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.10 1wfu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfu s SER 5 N -0.97 -0.62 -0.10 1.61 1.04 -1.26 -5.16 113.70 108.24 1wfu s SER 5 Ca 0.00 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.24 1wfu s SER 5 Cb 0.00 1.70 0.05 0.00 0.10 0.00 0.00 66.02 67.87 1wfu s SER 5 CO 0.00 -0.12 0.22 -0.55 0.98 0.00 0.00 173.24 173.77 1wfu s SER 6 N 2.46 0.04 -0.39 7.02 0.15 -1.26 -5.06 113.70 116.67 1wfu s SER 6 Ca -0.03 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.20 1wfu s SER 6 Cb -0.06 0.41 0.38 0.00 -1.71 0.00 0.00 66.02 65.04 1wfu s SER 6 CO -0.18 -0.19 1.05 0.61 1.20 0.00 0.00 173.24 175.73 1wfu n GLY 7 N 4.63 1.74 3.07 9.45 0.00 -1.26 -5.12 105.19 117.70 1wfu n GLY 7 Ca -0.18 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.25 0.56 0.51 1.61 -1.94 -1.26 -5.14 119.30 112.39 1wfu s MET 8 Ca 0.28 -1.10 -0.22 0.00 -1.71 0.00 0.00 55.69 52.94 1wfu s MET 8 Cb 0.38 0.18 -0.06 0.00 2.01 0.00 0.00 34.83 37.33 1wfu s MET 8 CO -0.04 -0.10 1.23 -1.83 -0.01 0.00 0.00 175.02 174.27 1wfu s GLU 9 N -3.43 3.44 -0.01 2.03 -1.05 -1.26 -4.97 118.70 113.46 1wfu s GLU 9 Ca 0.03 1.92 -0.24 0.00 -0.15 0.00 0.00 54.97 56.52 1wfu s GLU 9 Cb 0.04 -2.28 -0.19 0.00 -0.44 0.00 0.00 34.13 31.27 1wfu s GLU 9 CO -0.08 -0.86 1.29 -1.00 0.95 0.00 0.00 175.26 175.56 1wfu h PRO 10 N 1.67 0.10 0.00 -4.83 0.13 -2.01 -3.49 132.00 123.56 1wfu h PRO 10 Ca -0.50 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1wfu h PRO 10 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1wfu h PRO 10 CO 0.58 0.56 0.29 -2.39 -0.23 0.00 0.00 178.00 176.81 1wfu n HIS 11 N -4.77 -1.05 -0.21 1.56 1.44 -1.26 -5.00 115.22 105.93 1wfu n HIS 11 Ca -0.08 -0.68 0.18 0.00 -2.01 0.00 0.00 57.72 55.13 1wfu n HIS 11 Cb 0.28 0.33 0.33 0.00 0.12 0.00 0.00 29.99 31.06 1wfu n HIS 11 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1wfu n LYS 12 N -0.36 -0.04 -4.25 -1.40 2.85 -1.26 -4.23 118.16 109.47 1wfu n LYS 12 Ca -0.01 0.92 -0.22 0.00 -1.05 0.00 0.00 58.31 57.95 1wfu n LYS 12 Cb 0.30 -1.60 -0.12 0.00 -0.65 0.00 0.00 35.03 32.96 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 -5.13 1.51 -0.15 0.58 0.11 -1.26 -5.14 120.40 110.92 1wfu s VAL 13 Ca -0.07 -1.52 -0.05 0.00 -2.93 0.00 0.00 61.98 57.42 1wfu s VAL 13 Cb 0.21 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1wfu s VAL 13 CO 0.51 -0.16 0.02 0.54 -3.33 0.00 0.00 175.10 172.67 1wfu s VAL 14 N -1.36 4.39 0.93 2.04 0.11 -1.26 -4.75 120.40 120.49 1wfu s VAL 14 Ca 0.05 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.79 1wfu s VAL 14 Cb -0.09 -2.92 0.15 0.00 -1.53 0.00 0.00 36.38 31.98 1wfu s VAL 14 CO 0.04 0.52 1.09 -2.16 -3.33 0.00 0.00 175.10 171.26 1wfu s PRO 15 N -0.02 0.98 1.15 1.54 0.04 -1.26 -5.02 135.00 132.41 1wfu s PRO 15 Ca 0.04 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.63 1wfu s PRO 15 Cb -0.13 -1.78 0.22 0.00 0.04 0.00 0.00 34.50 32.85 1wfu s PRO 15 CO 0.02 -2.41 0.43 1.47 0.04 0.00 0.00 177.00 176.55 1wfu n LEU 16 N -3.98 -1.34 -4.74 -3.56 -0.00 -1.26 -4.92 117.00 97.20 1wfu n LEU 16 Ca 0.06 -0.44 -0.41 0.00 -0.00 0.00 0.00 56.01 55.23 1wfu n LEU 16 Cb 0.56 -0.89 -0.05 0.00 -0.00 0.00 0.00 43.42 43.04 1wfu n LEU 16 CO 0.56 -3.54 0.66 -0.94 -0.00 0.00 0.00 177.39 174.13 1wfu s SER 17 N -2.23 7.57 0.22 1.45 1.04 -1.26 -4.92 113.70 115.56 1wfu s SER 17 Ca 0.49 1.87 -0.32 0.00 0.48 0.00 0.00 55.95 58.47 1wfu s SER 17 Cb -0.10 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.29 1wfu s SER 17 CO 0.47 0.04 1.44 0.29 0.98 0.00 0.00 173.24 176.46 1wfu n LYS 18 N 2.19 2.02 -2.09 4.02 5.02 -1.26 -4.87 118.16 123.19 1wfu n LYS 18 Ca 0.00 0.72 -0.34 0.00 -2.02 0.00 0.00 58.31 56.67 1wfu n LYS 18 Cb 0.48 -2.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.07 3.17 0.48 1.97 0.04 -1.26 -5.02 135.00 134.32 1wfu s PRO 19 Ca 0.71 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 63.21 1wfu s PRO 19 Cb -0.67 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1wfu s PRO 19 CO 0.47 -0.98 0.82 -1.01 0.04 0.00 0.00 177.00 176.34 1wfu s HIS 20 N -1.96 3.55 0.28 0.56 3.76 -1.26 -4.24 115.29 115.98 1wfu s HIS 20 Ca 0.71 0.96 -0.29 0.00 -0.15 0.00 0.00 55.06 56.29 1wfu s HIS 20 Cb -0.23 -2.41 -0.10 0.00 1.11 0.00 0.00 32.58 30.95 1wfu s HIS 20 CO 0.32 -0.29 1.25 -1.25 -0.85 0.00 0.00 174.74 173.91 1wfu s PRO 21 N -4.54 4.45 0.32 8.40 0.04 -1.26 -4.84 135.00 137.55 1wfu s PRO 21 Ca 0.50 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 1wfu s PRO 21 Cb -0.10 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1wfu s PRO 21 CO 0.42 -0.09 1.23 -1.25 0.04 0.00 0.00 177.00 177.35 1wfu s PRO 22 N -1.26 4.44 0.60 0.56 0.04 -1.26 -4.96 135.00 133.16 1wfu s PRO 22 Ca 0.50 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.49 1wfu s PRO 22 Cb -0.37 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1wfu s PRO 22 CO 0.46 -0.05 0.98 0.08 0.04 0.00 0.00 177.00 178.51 1wfu s VAL 23 N -1.16 4.66 -0.43 -0.36 1.01 -1.09 -4.87 120.40 118.16 1wfu s VAL 23 Ca 0.48 0.70 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1wfu s VAL 23 Cb -0.37 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.29 1wfu s VAL 23 CO 0.48 -1.05 0.18 -0.69 0.00 0.00 0.00 175.10 174.02 1wfu s VAL 24 N -3.10 2.73 0.00 2.92 1.01 -1.26 -2.01 120.40 120.69 1wfu s VAL 24 Ca 0.54 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1wfu s VAL 24 Cb -0.11 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1wfu s VAL 24 CO 0.52 -0.70 0.06 0.61 0.00 0.00 0.00 175.10 175.59 1wfu n GLY 25 N 3.95 0.01 3.70 4.51 0.00 -1.19 -4.81 105.19 111.36 1wfu n GLY 25 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.12 4.43 -0.29 1.61 2.20 -1.26 -4.94 119.74 121.37 1wfu s LYS 26 Ca 0.00 1.08 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 1wfu s LYS 26 Cb 0.00 -3.49 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1wfu s LYS 26 CO 0.00 -0.09 -0.04 0.54 -0.36 0.00 0.00 175.35 175.41 1wfu s VAL 27 N 1.28 2.07 0.48 4.02 0.11 -1.26 -0.34 120.40 126.75 1wfu s VAL 27 Ca 0.42 -1.84 0.06 0.00 -2.93 0.00 0.00 61.98 57.70 1wfu s VAL 27 Cb -0.18 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1wfu s VAL 27 CO 0.19 -0.28 0.34 0.42 -3.33 0.00 0.00 175.10 172.44 1wfu s THR 28 N 1.09 2.07 -2.04 5.04 -4.23 -0.72 -4.52 115.64 112.33 1wfu s THR 28 Ca -0.00 -1.51 0.13 0.00 -1.18 0.00 0.00 61.69 59.13 1wfu s THR 28 Cb -0.19 -2.58 0.34 0.00 1.34 0.00 0.00 72.50 71.41 1wfu s THR 28 CO -0.07 0.00 1.31 0.00 -0.54 0.00 0.00 174.62 175.32 1wfu n HIS 29 N -1.58 0.44 0.00 3.99 1.44 -1.26 -2.90 115.22 115.36 1wfu n HIS 29 Ca -0.00 -0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 1wfu n HIS 29 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 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 0.53 0.00 -3.75 -1.40 -0.00 -1.26 -3.11 115.22 106.22 1wfu n HIS 30 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.75 1wfu n HIS 30 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.26 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 -2.46 -0.26 -0.09 4.39 1.04 -1.25 0.26 113.70 115.32 1wfu s SER 31 Ca 0.00 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1wfu s SER 31 Cb 0.00 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1wfu s SER 31 CO 0.00 -1.08 -0.15 -0.63 0.98 0.00 0.00 173.24 172.36 1wfu s ILE 32 N -3.88 1.39 0.18 -1.02 1.01 -0.24 -1.76 121.20 116.89 1wfu s ILE 32 Ca 0.10 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 1wfu s ILE 32 Cb -0.01 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 41.11 1wfu s ILE 32 CO -0.01 0.42 0.81 -0.70 0.00 0.00 0.00 174.94 175.45 1wfu s GLU 33 N 0.80 4.63 -0.03 2.79 2.56 0.54 0.34 118.70 130.32 1wfu s GLU 33 Ca -0.11 1.22 -0.01 0.00 0.00 0.00 0.00 54.97 56.07 1wfu s GLU 33 Cb -0.16 -3.26 0.03 0.00 2.00 0.00 0.00 34.13 32.74 1wfu s GLU 33 CO 0.02 0.56 0.05 -0.51 -0.56 0.00 0.00 175.26 174.82 1wfu s LEU 34 N -1.16 1.15 -0.09 2.70 1.43 -0.81 -3.15 118.68 118.75 1wfu s LEU 34 Ca 0.37 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1wfu s LEU 34 Cb -0.24 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.09 1wfu s LEU 34 CO 0.27 -0.11 0.15 -0.72 0.23 0.00 0.00 176.35 176.17 1wfu s TYR 35 N 0.90 -0.15 -0.26 0.29 -0.85 -0.85 0.62 117.35 117.05 1wfu s TYR 35 Ca -0.07 0.51 0.09 0.00 -0.52 0.00 0.00 57.07 57.07 1wfu s TYR 35 Cb -0.10 -0.31 0.46 0.00 0.38 0.00 0.00 41.96 42.38 1wfu s TYR 35 CO -0.03 -0.30 1.32 -2.67 -1.52 0.00 0.00 175.55 172.35 1wfu n TRP 36 N 5.32 0.86 -0.49 -3.49 2.14 -0.71 -2.67 117.44 118.40 1wfu n TRP 36 Ca -0.05 -1.69 -0.01 0.00 2.07 0.00 0.00 57.50 57.82 1wfu n TRP 36 Cb 0.50 -0.38 -0.02 0.00 -0.81 0.00 0.00 31.31 30.60 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 -1.06 4.60 -0.00 -0.67 5.68 -1.26 -3.21 116.55 120.64 1wfu n ASP 37 Ca 0.29 -2.23 0.01 0.00 -0.50 0.00 0.00 54.79 52.35 1wfu n ASP 37 Cb 0.85 -1.01 -0.01 0.00 -1.14 0.00 0.00 41.12 39.81 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 1.70 0.08 -0.09 -2.12 7.99 -1.26 -4.69 117.00 118.61 1wfu n LEU 38 Ca 0.05 -0.35 -0.23 0.00 -0.01 0.00 0.00 56.01 55.47 1wfu n LEU 38 Cb 0.48 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.67 1wfu n LEU 38 CO 0.02 0.02 -0.82 -1.84 -1.51 0.00 0.00 177.39 173.26 1wfu n GLU 39 N -1.21 0.61 -0.50 3.23 0.28 -1.20 -4.26 120.64 117.60 1wfu n GLU 39 Ca 0.00 0.43 -0.03 0.00 -0.16 0.00 0.00 57.16 57.39 1wfu n GLU 39 Cb 0.04 -1.67 0.01 0.00 1.43 0.00 0.00 31.44 31.25 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wfu n GLN 40 N -4.14 1.17 -2.23 3.44 -0.00 -1.26 -4.67 117.38 109.68 1wfu n GLN 40 Ca -0.38 -0.33 -0.42 0.00 -0.00 0.00 0.00 57.00 55.87 1wfu n GLN 40 Cb 0.81 -1.13 0.00 0.00 -0.00 0.00 0.00 30.24 29.93 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 1.07 3.85 -3.72 2.61 5.02 -1.26 -4.90 118.16 120.84 1wfu n LYS 41 Ca 0.06 -3.49 -0.14 0.00 -2.02 0.00 0.00 58.31 52.73 1wfu n LYS 41 Cb 0.54 -2.85 -0.09 0.00 -0.02 0.00 0.00 35.03 32.60 1wfu n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfu s GLU 42 N 0.05 0.65 0.03 1.97 2.12 -1.26 -5.12 118.70 117.14 1wfu s GLU 42 Ca 0.43 0.15 -0.28 0.00 0.36 0.00 0.00 54.97 55.64 1wfu s GLU 42 Cb 0.12 0.30 -0.14 0.00 0.26 0.00 0.00 34.13 34.66 1wfu s GLU 42 CO -0.02 -0.15 0.71 0.36 -0.54 0.00 0.00 175.26 175.61 1wfu n LYS 43 N 1.83 0.00 -0.96 4.30 2.85 -1.26 -4.71 118.16 120.21 1wfu n LYS 43 Ca -0.18 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.97 1wfu n LYS 43 Cb 0.57 -1.03 -0.16 0.00 -0.65 0.00 0.00 35.03 33.75 1wfu n LYS 43 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfu n ARG 44 N 1.03 1.92 -0.93 -1.58 1.74 -1.26 -4.95 116.66 112.63 1wfu n ARG 44 Ca 0.15 -0.94 -0.35 0.00 -0.77 0.00 0.00 57.85 55.93 1wfu n ARG 44 Cb 0.09 -1.95 0.07 0.00 -1.02 0.00 0.00 32.46 29.64 1wfu n ARG 44 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1wfu n GLN 45 N 2.48 -0.13 -1.38 5.56 -0.06 -1.26 -4.69 117.38 117.89 1wfu n GLN 45 Ca 0.41 -0.03 0.18 0.00 -2.00 0.00 0.00 57.00 55.56 1wfu n GLN 45 Cb 0.88 -1.28 -0.05 0.00 -4.06 0.00 0.00 30.24 25.74 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wfu n GLY 46 N 2.86 -2.04 3.66 1.69 0.00 -1.26 -4.83 105.19 105.27 1wfu n GLY 46 Ca 0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.59 0.18 0.33 1.61 0.04 -1.26 -4.82 135.00 128.48 1wfu s PRO 47 Ca 0.00 0.44 0.08 0.00 0.04 0.00 0.00 61.00 61.56 1wfu s PRO 47 Cb 0.00 -1.71 0.80 0.00 0.04 0.00 0.00 34.50 33.62 1wfu s PRO 47 CO 0.00 -2.88 1.81 0.37 0.04 0.00 0.00 177.00 176.33 1wfu h GLN 48 N -2.00 0.69 -0.17 4.56 4.15 -1.90 0.35 115.11 120.79 1wfu h GLN 48 Ca -0.54 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 58.88 1wfu h GLN 48 Cb 1.33 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1wfu h GLN 48 CO 0.56 0.46 0.23 0.93 -1.93 0.00 0.00 178.83 179.08 1wfu h GLU 49 N 0.71 0.00 -0.96 1.69 4.39 -1.97 0.42 114.58 118.86 1wfu h GLU 49 Ca 0.54 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.14 1wfu h GLU 49 Cb 0.90 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.49 1wfu h GLU 49 CO -0.31 0.00 0.12 0.94 -1.16 0.00 0.00 179.01 178.60 1wfu n GLN 50 N -3.58 1.60 -3.98 2.33 -0.06 0.12 -4.87 117.38 108.94 1wfu n GLN 50 Ca 0.01 -0.84 -0.23 0.00 -2.00 0.00 0.00 57.00 53.94 1wfu n GLN 50 Cb 0.34 -1.46 -0.03 0.00 -4.06 0.00 0.00 30.24 25.04 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 -1.10 3.42 0.52 3.69 0.52 0.13 -4.91 118.94 121.21 1wfu s TRP 51 Ca 0.15 0.03 -0.06 0.00 0.02 0.00 0.00 56.10 56.24 1wfu s TRP 51 Cb 0.13 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1wfu s TRP 51 CO 0.03 0.48 0.84 -0.51 0.02 0.00 0.00 176.95 177.81 1wfu s LEU 52 N -3.62 3.49 0.06 2.99 1.02 -1.26 -4.48 118.68 116.88 1wfu s LEU 52 Ca 0.34 0.90 0.03 0.00 0.02 0.00 0.00 54.13 55.42 1wfu s LEU 52 Cb -0.10 -3.83 -0.04 0.00 0.02 0.00 0.00 46.19 42.24 1wfu s LEU 52 CO 0.28 -0.73 0.05 -0.60 0.02 0.00 0.00 176.35 175.37 1wfu s ARG 53 N -4.84 2.81 -0.13 1.70 3.52 -1.13 -4.76 118.95 116.12 1wfu s ARG 53 Ca 0.50 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1wfu s ARG 53 Cb -0.10 -2.69 0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1wfu s ARG 53 CO 0.46 0.58 0.01 -0.06 -0.81 0.00 0.00 175.30 175.47 1wfu s PHE 54 N -1.30 0.92 -0.14 5.12 0.08 -0.28 -3.03 117.98 119.34 1wfu s PHE 54 Ca 0.26 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1wfu s PHE 54 Cb -0.12 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 1wfu s PHE 54 CO 0.18 -0.47 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.54 1wfu s SER 55 N 1.89 2.80 0.06 1.36 0.01 -0.97 -2.19 113.70 116.66 1wfu s SER 55 Ca 0.02 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wfu s SER 55 Cb -0.14 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 1wfu s SER 55 CO -0.07 0.00 0.21 -0.63 0.41 0.00 0.00 173.24 173.17 1wfu s ILE 56 N 1.18 5.39 0.15 1.44 -1.09 0.43 -1.26 121.20 127.44 1wfu s ILE 56 Ca -0.00 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1wfu s ILE 56 Cb -0.14 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1wfu s ILE 56 CO -0.07 0.16 0.05 -1.61 -1.23 0.00 0.00 174.94 172.24 1wfu s GLU 57 N -2.46 1.01 0.00 2.79 8.01 -0.85 -1.51 118.70 125.70 1wfu s GLU 57 Ca 0.34 -1.49 0.00 0.00 0.01 0.00 0.00 54.97 53.83 1wfu s GLU 57 Cb -0.13 0.10 -0.00 0.00 -4.31 0.00 0.00 34.13 29.79 1wfu s GLU 57 CO 0.27 -0.24 -0.01 -1.83 0.01 0.00 0.00 175.26 173.46 1wfu s GLU 58 N -4.03 0.09 0.39 1.61 4.04 -0.67 -1.57 118.70 118.56 1wfu s GLU 58 Ca 0.26 -0.11 -0.04 0.00 0.04 0.00 0.00 54.97 55.12 1wfu s GLU 58 Cb 0.07 -0.03 -0.04 0.00 0.02 0.00 0.00 34.13 34.15 1wfu s GLU 58 CO 0.04 0.00 0.66 -2.00 -1.84 0.00 0.00 175.26 172.12 1wfu s GLU 59 N -0.23 3.57 -0.15 -4.83 2.12 -1.00 -1.41 118.70 116.77 1wfu s GLU 59 Ca -0.02 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1wfu s GLU 59 Cb -0.02 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 1wfu s GLU 59 CO -0.00 0.01 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.12 1wfu s ASP 60 N -3.79 4.21 0.41 -1.70 1.01 -0.23 -4.73 116.67 111.85 1wfu s ASP 60 Ca 0.45 -0.30 0.19 0.00 0.71 0.00 0.00 52.55 53.61 1wfu s ASP 60 Cb -0.10 -1.66 0.85 0.00 1.01 0.00 0.00 42.92 43.01 1wfu s ASP 60 CO 0.38 0.14 1.82 1.55 0.21 0.00 0.00 175.17 179.27 1wfu h PRO 61 N 6.89 0.00 0.02 8.23 0.13 -1.97 0.75 132.00 146.05 1wfu h PRO 61 Ca -0.29 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.44 1wfu h PRO 61 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1wfu h PRO 61 CO 0.58 0.32 -2.35 0.36 -0.23 0.00 0.00 178.00 176.68 1wfu n LYS 62 N -3.65 0.64 0.10 0.86 2.85 -1.26 -4.51 118.16 113.19 1wfu n LYS 62 Ca -0.01 0.23 -0.16 0.00 -1.05 0.00 0.00 58.31 57.32 1wfu n LYS 62 Cb 0.43 -1.55 -0.12 0.00 -0.65 0.00 0.00 35.03 33.14 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 -0.34 0.33 -0.79 -1.58 2.86 -1.98 -3.47 114.93 109.95 1wfu h MET 63 Ca -0.58 -0.51 -0.16 0.00 -2.06 0.00 0.00 59.70 56.39 1wfu h MET 63 Cb 1.80 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 33.60 1wfu h MET 63 CO -0.17 1.22 -0.18 0.72 1.06 0.00 0.00 176.91 179.56 1wfu n HIS 64 N -3.60 -0.20 -4.31 -0.22 8.25 0.26 -4.97 115.22 110.43 1wfu n HIS 64 Ca -0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 1wfu n HIS 64 Cb 0.99 -1.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.09 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 -2.77 2.38 0.17 0.41 0.15 -1.25 -4.81 113.70 107.97 1wfu s SER 65 Ca 0.00 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 55.71 1wfu s SER 65 Cb 0.00 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 1wfu s SER 65 CO 0.00 -0.17 0.30 -0.31 1.20 0.00 0.00 173.24 174.26 1wfu s TYR 66 N -2.78 3.48 -0.11 3.44 1.51 -1.26 -1.07 117.35 120.56 1wfu s TYR 66 Ca 0.19 0.10 -0.09 0.00 -1.01 0.00 0.00 57.07 56.25 1wfu s TYR 66 Cb -0.02 -1.65 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1wfu s TYR 66 CO 0.05 0.50 0.29 0.20 -1.11 0.00 0.00 175.55 175.48 1wfu s GLY 67 N -3.38 -0.21 -0.65 0.71 0.00 -0.50 -4.93 107.32 98.37 1wfu s GLY 67 Ca 0.35 0.91 -0.26 0.00 0.00 0.00 0.00 44.72 45.71 1wfu s GLY 67 CO 0.29 0.89 2.09 0.14 0.00 0.00 0.00 173.10 176.50 1wfu s VAL 68 N 0.48 3.24 0.13 1.40 1.01 -1.26 -1.67 120.40 123.73 1wfu s VAL 68 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1wfu s VAL 68 Cb -0.04 -3.60 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 1wfu s VAL 68 CO -0.03 -0.58 1.30 0.16 0.00 0.00 0.00 175.10 175.96 1wfu h ILE 69 N 7.26 1.54 -3.57 2.22 3.07 -1.59 -3.46 117.51 122.97 1wfu h ILE 69 Ca -0.16 -2.87 -0.19 0.00 1.55 0.00 0.00 64.86 63.19 1wfu h ILE 69 Cb 1.15 2.65 -0.25 0.00 -0.27 0.00 0.00 36.82 40.10 1wfu h ILE 69 CO 1.18 0.83 -0.60 -0.47 -1.05 0.00 0.00 178.15 178.04 1wfu s TYR 70 N -2.99 -0.02 -0.19 0.16 5.04 -0.98 -5.01 117.35 113.36 1wfu s TYR 70 Ca -0.02 0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.60 1wfu s TYR 70 Cb 0.09 -0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.47 1wfu s TYR 70 CO 0.84 -0.12 0.40 -0.08 -1.34 0.00 0.00 175.55 175.26 1wfu s THR 71 N -0.45 -0.54 -0.44 4.34 -1.32 -1.26 -0.43 115.64 115.55 1wfu s THR 71 Ca -0.05 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1wfu s THR 71 Cb -0.03 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1wfu s THR 71 CO 0.00 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1wfu n GLY 72 N 5.22 -0.74 0.48 6.08 0.00 -0.93 -5.01 105.19 110.29 1wfu n GLY 72 Ca -0.10 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 0.79 0.16 -2.85 1.61 4.02 -1.26 -1.12 117.16 118.49 1wfu n TYR 73 Ca 0.00 -1.30 -0.21 0.00 -0.01 0.00 0.00 57.90 56.38 1wfu n TYR 73 Cb 0.00 -0.24 0.09 0.00 -0.02 0.00 0.00 39.34 39.16 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 -3.09 4.30 0.00 -0.72 0.00 -1.26 -4.90 121.76 116.09 1wfu s ALA 74 Ca 0.37 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1wfu s ALA 74 Cb 0.34 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1wfu s ALA 74 CO -0.02 -1.16 0.00 0.25 0.00 0.00 0.00 175.76 174.83 1wfu n THR 75 N -2.52 0.00 -3.75 0.00 -2.24 -1.26 -4.64 114.28 99.88 1wfu n THR 75 Ca 0.16 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.69 1wfu n THR 75 Cb 0.61 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.97 3.48 -0.30 -0.78 3.52 -1.26 -1.73 118.95 119.91 1wfu s ARG 76 Ca 0.00 -0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 55.01 1wfu s ARG 76 Cb 0.00 -2.84 0.18 0.00 -1.56 0.00 0.00 34.95 30.73 1wfu s ARG 76 CO 0.00 0.38 0.94 -1.58 -0.81 0.00 0.00 175.30 174.23 1wfu s HIS 77 N -1.97 -0.80 -0.86 5.12 2.46 0.20 -4.96 115.29 114.49 1wfu s HIS 77 Ca 0.37 0.76 -0.18 0.00 0.47 0.00 0.00 55.06 56.48 1wfu s HIS 77 Cb -0.10 0.25 0.14 0.00 -0.13 0.00 0.00 32.58 32.73 1wfu s HIS 77 CO 0.30 -0.44 1.02 0.08 -2.47 0.00 0.00 174.74 173.23 1wfu s VAL 78 N 2.93 4.83 -0.56 0.89 1.01 -1.26 -1.92 120.40 126.32 1wfu s VAL 78 Ca 0.08 -1.55 -0.34 0.00 0.00 0.00 0.00 61.98 60.17 1wfu s VAL 78 Cb -0.10 -4.70 -0.15 0.00 0.00 0.00 0.00 36.38 31.44 1wfu s VAL 78 CO -0.15 -1.40 2.34 0.52 0.00 0.00 0.00 175.10 176.41 1wfu n VAL 79 N 5.31 0.06 -2.19 2.92 0.31 0.15 -4.67 118.33 120.23 1wfu n VAL 79 Ca 0.17 -0.23 -0.26 0.00 -0.01 0.00 0.00 64.34 64.01 1wfu n VAL 79 Cb 0.48 -1.34 0.07 0.00 -0.91 0.00 0.00 33.84 32.15 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 7.18 2.12 -0.44 5.55 2.02 -1.26 -1.07 118.70 132.80 1wfu s GLU 80 Ca 1.16 -0.27 -0.17 0.00 0.02 0.00 0.00 54.97 55.72 1wfu s GLU 80 Cb -0.97 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.13 1wfu s GLU 80 CO 0.49 -1.30 0.61 0.41 0.02 0.00 0.00 175.26 175.48 1wfu n GLY 81 N -2.97 -1.25 3.15 -1.39 0.00 -1.16 -4.93 105.19 96.64 1wfu n GLY 81 Ca 0.08 1.25 -0.10 0.00 0.00 0.00 0.00 46.02 47.25 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 -2.64 2.28 0.15 0.99 1.43 0.14 -4.96 118.68 116.06 1wfu s LEU 82 Ca 0.25 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1wfu s LEU 82 Cb -0.07 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 1wfu s LEU 82 CO 0.77 -0.59 0.09 -1.61 0.23 0.00 0.00 176.35 175.25 1wfu s GLU 83 N -3.92 2.78 0.28 1.70 2.02 -1.26 -4.33 118.70 115.97 1wfu s GLU 83 Ca 0.15 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1wfu s GLU 83 Cb 0.07 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.60 1wfu s GLU 83 CO -0.04 0.50 1.25 -1.25 0.02 0.00 0.00 175.26 175.74 1wfu s PRO 84 N -2.90 4.45 -1.32 0.39 0.04 -1.18 -3.38 135.00 131.10 1wfu s PRO 84 Ca 0.30 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 1wfu s PRO 84 Cb -0.10 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1wfu s PRO 84 CO 0.22 -0.08 0.93 0.54 0.04 0.00 0.00 177.00 178.64 1wfu n ARG 85 N 1.35 -6.12 -4.54 4.56 5.12 -0.93 -4.95 116.66 111.15 1wfu n ARG 85 Ca 0.01 0.73 -0.22 0.00 -1.93 0.00 0.00 57.85 56.44 1wfu n ARG 85 Cb 0.43 -5.58 -0.16 0.00 -1.16 0.00 0.00 32.46 25.99 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 -3.45 1.00 0.17 0.55 2.01 -1.22 -4.91 115.64 109.79 1wfu s THR 86 Ca 0.21 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1wfu s THR 86 Cb -0.10 -0.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 1wfu s THR 86 CO 0.77 0.30 0.73 -0.22 -0.69 0.00 0.00 174.62 175.51 1wfu s LEU 87 N 0.09 4.50 -0.12 4.42 1.98 -1.26 -1.43 118.68 126.85 1wfu s LEU 87 Ca -0.02 1.52 -0.03 0.00 -2.89 0.00 0.00 54.13 52.70 1wfu s LEU 87 Cb -0.09 -3.33 0.05 0.00 0.66 0.00 0.00 46.19 43.47 1wfu s LEU 87 CO 0.01 0.16 0.06 -0.31 -1.89 0.00 0.00 176.35 174.38 1wfu s TYR 88 N -1.27 0.33 -0.06 5.38 2.02 -0.46 -4.93 117.35 118.37 1wfu s TYR 88 Ca 0.37 -0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 56.68 1wfu s TYR 88 Cb -0.20 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1wfu s TYR 88 CO 0.23 -0.41 0.50 0.15 -1.57 0.00 0.00 175.55 174.45 1wfu s LYS 89 N 2.09 4.26 0.06 -0.62 1.02 -1.26 -1.93 119.74 123.35 1wfu s LYS 89 Ca 0.03 0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.59 1wfu s LYS 89 Cb -0.15 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1wfu s LYS 89 CO -0.07 0.32 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.50 1wfu s PHE 90 N 0.07 1.04 -0.10 3.18 0.08 -1.09 -2.37 117.98 118.78 1wfu s PHE 90 Ca 0.27 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1wfu s PHE 90 Cb -0.16 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1wfu s PHE 90 CO 0.13 0.01 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.12 1wfu s ARG 91 N -1.57 2.30 -0.10 0.44 1.70 -0.61 -1.25 118.95 119.87 1wfu s ARG 91 Ca -0.04 -0.60 -0.19 0.00 -0.47 0.00 0.00 55.73 54.43 1wfu s ARG 91 Cb -0.09 -1.90 -0.04 0.00 -0.57 0.00 0.00 34.95 32.35 1wfu s ARG 91 CO 0.02 -0.01 0.52 -1.17 -1.08 0.00 0.00 175.30 173.58 1wfu s LEU 92 N 0.82 4.30 0.11 -1.89 2.96 -1.26 -2.01 118.68 121.71 1wfu s LEU 92 Ca -0.10 0.91 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 1wfu s LEU 92 Cb -0.16 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 1wfu s LEU 92 CO 0.01 0.00 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.08 1wfu s LYS 93 N 0.51 1.70 0.00 1.98 2.20 -0.39 0.12 119.74 125.86 1wfu s LYS 93 Ca 0.28 -1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 54.66 1wfu s LYS 93 Cb -0.16 -2.05 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1wfu s LYS 93 CO 0.12 0.48 0.03 0.14 -0.36 0.00 0.00 175.35 175.76 1wfu s VAL 94 N -1.09 0.06 -0.09 4.02 -7.23 -0.88 -2.29 120.40 112.91 1wfu s VAL 94 Ca 0.16 -0.50 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1wfu s VAL 94 Cb -0.10 -0.21 0.05 0.00 0.56 0.00 0.00 36.38 36.67 1wfu s VAL 94 CO 0.08 -0.28 0.13 -0.89 -0.31 0.00 0.00 175.10 173.84 1wfu s THR 95 N -0.84 -0.21 0.89 5.32 2.01 -1.17 -0.57 115.64 121.06 1wfu s THR 95 Ca -0.09 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 1wfu s THR 95 Cb -0.06 -0.30 0.13 0.00 0.01 0.00 0.00 72.50 72.28 1wfu s THR 95 CO -0.00 0.10 1.14 -0.44 -0.69 0.00 0.00 174.62 174.73 1wfu s SER 96 N 2.25 3.20 0.00 3.53 0.01 0.13 -2.85 113.70 119.97 1wfu s SER 96 Ca 0.04 2.14 0.10 0.00 1.31 0.00 0.00 55.95 59.54 1wfu s SER 96 Cb -0.13 -2.56 0.62 0.00 0.21 0.00 0.00 66.02 64.17 1wfu s SER 96 CO -0.06 -2.92 1.06 -0.81 0.41 0.00 0.00 173.24 170.93 1wfu n PRO 97 N -4.07 0.48 -0.09 12.44 -0.04 -1.26 -2.45 135.00 140.01 1wfu n PRO 97 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1wfu n PRO 97 Cb 0.52 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.84 1.55 0.00 3.54 7.64 -1.26 -5.03 113.62 119.22 1wfu n SER 98 Ca 0.08 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wfu n SER 98 Cb 0.04 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 2.20 2.73 3.57 0.23 0.00 -1.02 -5.14 105.19 107.76 1wfu n GLY 99 Ca -0.32 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 0.63 -3.51 1.61 1.02 -1.26 -4.67 120.64 114.45 1wfu n GLU 100 Ca 0.00 0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1wfu n GLU 100 Cb 0.00 -2.05 -0.04 0.00 -0.02 0.00 0.00 31.44 29.32 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wfu s TYR 101 N -1.69 -0.52 0.35 -0.32 1.13 -1.26 0.19 117.35 115.23 1wfu s TYR 101 Ca 0.73 0.59 0.02 0.00 -1.41 0.00 0.00 57.07 57.00 1wfu s TYR 101 Cb -0.39 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 40.89 1wfu s TYR 101 CO 0.50 -0.70 0.41 0.39 -2.51 0.00 0.00 175.55 173.64 1wfu n GLU 102 N 0.28 0.59 -4.18 -3.49 -0.58 0.26 -4.74 120.64 108.78 1wfu n GLU 102 Ca -0.18 -3.07 -0.17 0.00 -0.42 0.00 0.00 57.16 53.32 1wfu n GLU 102 Cb 0.61 2.76 -0.11 0.00 -0.57 0.00 0.00 31.44 34.13 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 -3.07 1.19 0.27 -0.32 1.51 -1.26 -2.07 117.35 113.59 1wfu s TYR 103 Ca 0.34 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1wfu s TYR 103 Cb 0.00 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1wfu s TYR 103 CO 0.24 0.06 0.41 -1.54 -1.11 0.00 0.00 175.55 173.61 1wfu s SER 104 N -2.06 6.31 -0.09 2.29 1.04 0.32 -3.98 113.70 117.53 1wfu s SER 104 Ca 0.02 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 1wfu s SER 104 Cb -0.07 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1wfu s SER 104 CO 0.02 -0.13 1.52 -2.16 0.98 0.00 0.00 173.24 173.47 1wfu s PRO 105 N -4.05 4.20 0.15 4.02 0.04 -1.26 -4.37 135.00 133.73 1wfu s PRO 105 Ca 0.36 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1wfu s PRO 105 Cb -0.09 -3.91 -0.17 0.00 0.04 0.00 0.00 34.50 30.37 1wfu s PRO 105 CO 0.31 -0.80 0.60 0.28 0.04 0.00 0.00 177.00 177.43 1wfu n VAL 106 N 5.44 1.47 -3.86 -0.36 0.31 -1.26 -4.74 118.33 115.32 1wfu n VAL 106 Ca 0.16 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.82 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 -0.73 1.42 -0.13 2.52 -7.23 -0.38 -4.93 120.40 110.93 1wfu s VAL 107 Ca 0.66 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.97 1wfu s VAL 107 Cb -0.94 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1wfu s VAL 107 CO 0.53 -0.51 0.84 -0.94 -0.31 0.00 0.00 175.10 174.71 1wfu s SER 108 N 1.37 7.03 -0.07 4.85 1.04 -1.26 -2.68 113.70 123.97 1wfu s SER 108 Ca 0.06 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.75 1wfu s SER 108 Cb -0.18 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1wfu s SER 108 CO -0.15 -0.34 -0.07 0.68 0.98 0.00 0.00 173.24 174.34 1wfu s VAL 109 N 1.79 0.82 -0.18 5.02 -7.23 -0.81 -4.90 120.40 114.91 1wfu s VAL 109 Ca 0.40 -0.25 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 1wfu s VAL 109 Cb -0.17 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1wfu s VAL 109 CO 0.15 0.30 0.50 0.00 -0.31 0.00 0.00 175.10 175.74 1wfu s ALA 110 N 1.08 3.53 1.35 1.32 0.00 -1.26 -1.35 121.76 126.43 1wfu s ALA 110 Ca -0.08 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 1wfu s ALA 110 Cb -0.14 -2.75 0.34 0.00 0.00 0.00 0.00 23.12 20.57 1wfu s ALA 110 CO -0.01 -0.32 1.00 0.95 0.00 0.00 0.00 175.76 177.38 1wfu s THR 111 N 1.35 1.33 0.62 0.00 -4.23 -0.52 -4.88 115.64 109.32 1wfu s THR 111 Ca 0.24 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1wfu s THR 111 Cb -0.15 -2.23 0.09 0.00 1.34 0.00 0.00 72.50 71.55 1wfu s THR 111 CO 0.10 0.00 0.86 0.42 -0.54 0.00 0.00 174.62 175.46 1wfu s THR 112 N -2.55 2.34 0.31 3.99 -4.23 -1.14 -3.87 115.64 110.49 1wfu s THR 112 Ca 0.70 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 60.30 1wfu s THR 112 Cb -0.11 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 1wfu s THR 112 CO 0.57 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 175.43 1wfu s ARG 113 N -4.89 4.16 -0.15 3.99 1.70 -1.26 -2.18 118.95 120.33 1wfu s ARG 113 Ca 0.62 0.86 0.04 0.00 -0.47 0.00 0.00 55.73 56.78 1wfu s ARG 113 Cb -0.07 -2.56 -0.23 0.00 -0.57 0.00 0.00 34.95 31.52 1wfu s ARG 113 CO 0.41 0.21 0.25 -0.85 -1.08 0.00 0.00 175.30 174.24 1wfu n GLU 114 N -0.01 0.69 0.04 3.89 0.28 -1.26 -4.69 120.64 119.59 1wfu n GLU 114 Ca 0.02 0.20 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1wfu n GLU 114 Cb 0.52 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1wfu n GLU 114 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wfu n SER 115 N -3.21 0.60 0.00 -1.84 2.88 -1.26 -5.13 113.62 105.66 1wfu n SER 115 Ca -0.32 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1wfu n SER 115 Cb 1.05 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 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 3.21 0.12 3.59 0.46 0.00 -1.26 -4.88 105.19 106.43 1wfu n GLY 116 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.08 3.29 -0.74 1.61 0.04 -1.26 -4.89 135.00 131.97 1wfu s PRO 117 Ca 0.00 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 1wfu s PRO 117 Cb 0.00 -4.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.20 1wfu s PRO 117 CO 0.00 -1.92 2.41 0.45 0.04 0.00 0.00 177.00 177.98 1wfu n SER 118 N 10.30 1.40 -4.65 6.66 2.88 -1.26 -4.85 113.62 124.10 1wfu n SER 118 Ca 0.21 -0.91 -0.47 0.00 -1.33 0.00 0.00 58.87 56.38 1wfu n SER 118 Cb 0.48 -1.42 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 1wfu n SER 118 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfu n SER 119 N 15.40 2.74 0.00 -3.46 3.41 -1.26 -5.33 113.62 125.12 1wfu n SER 119 Ca 0.48 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 60.20 1wfu n SER 119 Cb 0.39 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49