#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 -0.56 0.28 1.61 0.01 -1.26 -5.14 113.70 108.64 1wfu s SER 2 Ca 0.00 0.92 -0.21 0.00 1.31 0.00 0.00 55.95 57.97 1wfu s SER 2 Cb 0.00 0.88 0.02 0.00 0.21 0.00 0.00 66.02 67.13 1wfu s SER 2 CO 0.00 -0.30 0.71 -0.94 0.41 0.00 0.00 173.24 173.12 1wfu s SER 3 N -0.24 -0.25 0.00 2.44 1.04 -1.26 -5.12 113.70 110.30 1wfu s SER 3 Ca -0.01 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1wfu s SER 3 Cb -0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1wfu s SER 3 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1wfu n GLY 4 N -0.46 2.40 3.15 7.32 0.00 -1.26 -5.18 105.19 111.16 1wfu n GLY 4 Ca -0.04 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.11 0.04 1.61 0.01 -1.26 -5.17 113.70 110.04 1wfu s SER 5 Ca 0.00 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 56.07 1wfu s SER 5 Cb 0.00 0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.40 1wfu s SER 5 CO 0.00 -0.41 0.81 -0.55 0.41 0.00 0.00 173.24 173.50 1wfu s SER 6 N -2.77 -0.42 0.00 2.44 0.15 -1.26 -5.17 113.70 106.67 1wfu s SER 6 Ca 0.08 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1wfu s SER 6 Cb 0.02 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wfu s SER 6 CO -0.04 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1wfu n GLY 7 N -0.28 1.20 0.13 9.45 0.00 -1.26 -4.89 105.19 109.54 1wfu n GLY 7 Ca -0.11 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 1wfu n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfu n MET 8 N 1.68 0.65 -3.54 1.61 2.81 -1.26 -5.04 117.12 114.03 1wfu n MET 8 Ca 0.00 0.26 -0.18 0.00 -1.81 0.00 0.00 57.70 55.98 1wfu n MET 8 Cb 0.00 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 30.86 1wfu n MET 8 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1wfu s GLU 9 N -2.50 1.03 1.20 0.03 -1.05 -1.26 -5.18 118.70 110.97 1wfu s GLU 9 Ca -0.32 0.21 -0.19 0.00 -0.15 0.00 0.00 54.97 54.51 1wfu s GLU 9 Cb 0.10 0.48 0.29 0.00 -0.44 0.00 0.00 34.13 34.56 1wfu s GLU 9 CO 0.61 -0.32 1.11 -1.25 0.95 0.00 0.00 175.26 176.36 1wfu s PRO 10 N -1.24 -1.22 1.08 -4.83 0.04 -1.26 -5.01 135.00 122.57 1wfu s PRO 10 Ca -0.11 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 1wfu s PRO 10 Cb -0.00 -1.60 0.12 0.00 0.04 0.00 0.00 34.50 33.06 1wfu s PRO 10 CO 0.09 -3.71 0.05 1.58 0.04 0.00 0.00 177.00 175.05 1wfu n HIS 11 N -4.76 -1.85 -0.26 0.56 -0.00 -1.26 -4.71 115.22 102.93 1wfu n HIS 11 Ca 0.13 0.08 0.14 0.00 -0.00 0.00 0.00 57.72 58.07 1wfu n HIS 11 Cb 0.59 -1.47 0.27 0.00 -0.00 0.00 0.00 29.99 29.38 1wfu n HIS 11 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1wfu n LYS 12 N -1.81 -0.06 -4.38 1.57 4.76 -1.26 -4.19 118.16 112.79 1wfu n LYS 12 Ca 0.03 1.12 -0.31 0.00 -2.87 0.00 0.00 58.31 56.28 1wfu n LYS 12 Cb 0.53 -1.83 -0.10 0.00 -1.84 0.00 0.00 35.03 31.79 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wfu s VAL 13 N -5.58 3.59 -0.10 -0.18 1.01 -1.26 -5.09 120.40 112.78 1wfu s VAL 13 Ca -0.09 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 1wfu s VAL 13 Cb 0.23 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1wfu s VAL 13 CO 0.59 0.30 1.13 0.54 0.00 0.00 0.00 175.10 177.67 1wfu s VAL 14 N -1.08 4.46 0.93 2.92 0.11 -1.26 -4.92 120.40 121.56 1wfu s VAL 14 Ca 0.19 1.76 -0.12 0.00 -2.93 0.00 0.00 61.98 60.88 1wfu s VAL 14 Cb -0.11 -4.13 0.15 0.00 -1.53 0.00 0.00 36.38 30.75 1wfu s VAL 14 CO 0.10 -0.04 1.09 -2.16 -3.33 0.00 0.00 175.10 170.77 1wfu s PRO 15 N 2.43 0.97 0.78 1.54 0.04 -1.26 -5.01 135.00 134.49 1wfu s PRO 15 Ca 0.52 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1wfu s PRO 15 Cb -0.21 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1wfu s PRO 15 CO 0.18 -2.41 1.15 -0.48 0.04 0.00 0.00 177.00 175.48 1wfu s LEU 16 N -6.30 3.14 0.32 -3.56 0.05 -1.26 -4.93 118.68 106.14 1wfu s LEU 16 Ca 0.64 2.14 -0.29 0.00 0.05 0.00 0.00 54.13 56.67 1wfu s LEU 16 Cb -0.18 -4.56 -0.12 0.00 -2.05 0.00 0.00 46.19 39.28 1wfu s LEU 16 CO 0.57 -2.34 1.47 -1.20 -0.55 0.00 0.00 176.35 174.30 1wfu n SER 17 N -3.25 3.43 -4.75 1.48 7.64 -1.26 -4.88 113.62 112.04 1wfu n SER 17 Ca 0.12 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.76 1wfu n SER 17 Cb 0.52 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 1wfu n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wfu n LYS 18 N 1.26 2.65 -2.22 1.43 5.02 -1.26 -4.93 118.16 120.11 1wfu n LYS 18 Ca 0.06 0.94 -0.35 0.00 -2.02 0.00 0.00 58.31 56.94 1wfu n LYS 18 Cb 0.36 -2.69 0.01 0.00 -0.02 0.00 0.00 35.03 32.69 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 -1.09 3.31 0.51 1.97 0.04 -1.26 -5.03 135.00 133.45 1wfu s PRO 19 Ca 0.60 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 1wfu s PRO 19 Cb -0.50 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1wfu s PRO 19 CO 0.54 -0.88 0.81 -3.38 0.04 0.00 0.00 177.00 174.14 1wfu s HIS 20 N -1.81 3.43 0.32 0.56 -3.43 -1.26 -4.28 115.29 108.82 1wfu s HIS 20 Ca 0.72 0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 55.40 1wfu s HIS 20 Cb -0.24 -2.44 -0.10 0.00 -1.43 0.00 0.00 32.58 28.37 1wfu s HIS 20 CO 0.28 -0.46 1.22 -1.25 -2.00 0.00 0.00 174.74 172.53 1wfu s PRO 21 N -4.81 4.45 0.33 -0.38 0.04 -1.26 -4.83 135.00 128.55 1wfu s PRO 21 Ca 0.50 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 1wfu s PRO 21 Cb -0.10 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 1wfu s PRO 21 CO 0.44 -0.05 1.22 -1.25 0.04 0.00 0.00 177.00 177.41 1wfu s PRO 22 N -1.69 4.36 0.48 0.56 0.04 -1.26 -4.97 135.00 132.53 1wfu s PRO 22 Ca 0.48 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 1wfu s PRO 22 Cb -0.37 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1wfu s PRO 22 CO 0.48 -0.11 0.79 0.08 0.04 0.00 0.00 177.00 178.28 1wfu s VAL 23 N -1.21 4.91 -0.39 -0.36 1.01 -0.99 -4.87 120.40 118.50 1wfu s VAL 23 Ca 0.50 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1wfu s VAL 23 Cb -0.36 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.27 1wfu s VAL 23 CO 0.46 -0.85 0.11 -0.69 0.00 0.00 0.00 175.10 174.13 1wfu s VAL 24 N -2.74 2.31 0.00 2.92 1.01 -1.26 -1.79 120.40 120.85 1wfu s VAL 24 Ca 0.48 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1wfu s VAL 24 Cb -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1wfu s VAL 24 CO 0.45 -0.66 0.19 0.61 0.00 0.00 0.00 175.10 175.70 1wfu n GLY 25 N 3.97 -0.01 3.76 4.51 0.00 -1.21 -4.83 105.19 111.37 1wfu n GLY 25 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 4.34 -0.36 1.61 2.20 -1.26 -4.97 119.74 120.79 1wfu s LYS 26 Ca 0.00 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 1wfu s LYS 26 Cb 0.00 -3.36 0.11 0.00 -1.51 0.00 0.00 37.83 33.07 1wfu s LYS 26 CO 0.00 0.33 0.10 0.54 -0.36 0.00 0.00 175.35 175.96 1wfu s VAL 27 N -0.06 2.00 0.22 4.02 0.11 -1.26 -0.27 120.40 125.15 1wfu s VAL 27 Ca 0.32 -2.31 -0.02 0.00 -2.93 0.00 0.00 61.98 57.04 1wfu s VAL 27 Cb -0.18 -2.46 -0.05 0.00 -1.53 0.00 0.00 36.38 32.16 1wfu s VAL 27 CO 0.17 -0.66 0.43 0.42 -3.33 0.00 0.00 175.10 172.14 1wfu s THR 28 N 0.85 5.15 -2.00 5.04 -4.23 -0.45 -4.49 115.64 115.52 1wfu s THR 28 Ca 0.12 -0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.53 1wfu s THR 28 Cb -0.20 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.24 1wfu s THR 28 CO -0.10 -0.19 1.24 0.00 -0.54 0.00 0.00 174.62 175.03 1wfu n HIS 29 N -0.66 0.00 0.00 3.99 1.44 -1.25 -2.51 115.22 116.22 1wfu n HIS 29 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 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 -0.73 0.00 -3.80 -1.40 -0.00 -1.26 -3.05 115.22 104.98 1wfu n HIS 30 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1wfu n HIS 30 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.02 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 -0.90 -0.15 -0.07 4.39 0.01 -1.04 -2.02 113.70 113.91 1wfu s SER 31 Ca 0.00 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.73 1wfu s SER 31 Cb 0.00 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.81 1wfu s SER 31 CO 0.00 -1.07 -0.09 -0.63 0.41 0.00 0.00 173.24 171.86 1wfu s ILE 32 N -3.16 0.96 0.09 1.44 1.01 -1.11 -1.33 121.20 119.10 1wfu s ILE 32 Ca 0.14 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 1wfu s ILE 32 Cb -0.03 -0.92 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 1wfu s ILE 32 CO 0.04 0.33 0.84 -0.70 0.00 0.00 0.00 174.94 175.45 1wfu s GLU 33 N 0.94 4.59 0.01 2.79 2.12 0.62 -1.45 118.70 128.32 1wfu s GLU 33 Ca -0.10 1.22 0.01 0.00 0.36 0.00 0.00 54.97 56.46 1wfu s GLU 33 Cb -0.15 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1wfu s GLU 33 CO 0.01 0.31 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.50 1wfu s LEU 34 N -0.25 2.06 -0.19 2.70 1.43 -0.87 -3.33 118.68 120.24 1wfu s LEU 34 Ca 0.41 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1wfu s LEU 34 Cb -0.22 -0.08 0.08 0.00 0.03 0.00 0.00 46.19 46.00 1wfu s LEU 34 CO 0.26 -0.05 0.42 -0.72 0.23 0.00 0.00 176.35 176.49 1wfu s TYR 35 N -0.39 -0.74 -0.32 0.29 -0.85 -0.74 0.46 117.35 115.06 1wfu s TYR 35 Ca -0.03 1.46 0.15 0.00 -0.52 0.00 0.00 57.07 58.14 1wfu s TYR 35 Cb -0.03 0.30 0.48 0.00 0.38 0.00 0.00 41.96 43.08 1wfu s TYR 35 CO -0.00 -0.44 1.38 -2.67 -1.52 0.00 0.00 175.55 172.30 1wfu n TRP 36 N 5.04 0.82 -0.27 -3.49 2.14 -0.36 -2.35 117.44 118.97 1wfu n TRP 36 Ca -0.13 -0.80 0.30 0.00 2.07 0.00 0.00 57.50 58.93 1wfu n TRP 36 Cb 0.51 -0.25 0.46 0.00 -0.81 0.00 0.00 31.31 31.22 1wfu n TRP 36 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1wfu n ASP 37 N -0.34 0.00 -0.27 -0.67 2.03 -1.26 -0.22 116.55 115.83 1wfu n ASP 37 Ca 0.19 0.75 0.06 0.00 0.52 0.00 0.00 54.79 56.31 1wfu n ASP 37 Cb 0.79 -0.28 0.17 0.00 -0.72 0.00 0.00 41.12 41.08 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wfu h LEU 38 N 0.00 -0.36 -0.01 -2.67 -0.00 -1.96 -2.35 115.31 107.95 1wfu h LEU 38 Ca 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.61 1wfu h LEU 38 Cb 2.90 0.36 -0.01 0.00 -0.00 0.00 0.00 40.66 43.91 1wfu h LEU 38 CO -0.01 -0.19 -0.08 -0.33 -0.00 0.00 0.00 178.44 177.83 1wfu h GLU 39 N 0.10 -0.09 -6.41 1.13 4.39 -1.00 -3.35 114.58 109.35 1wfu h GLU 39 Ca 0.43 0.01 -0.55 0.00 0.34 0.00 0.00 59.36 59.59 1wfu h GLU 39 Cb 0.77 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 1wfu h GLU 39 CO -0.69 -0.06 1.09 1.14 -1.16 0.00 0.00 179.01 179.34 1wfu s GLN 40 N -3.40 3.31 -0.07 2.33 0.00 -0.89 -4.77 119.66 116.17 1wfu s GLN 40 Ca -0.02 0.43 -0.04 0.00 -0.00 0.00 0.00 55.36 55.72 1wfu s GLN 40 Cb 0.01 -4.12 -0.03 0.00 0.00 0.00 0.00 33.01 28.87 1wfu s GLN 40 CO 0.09 -1.93 -0.11 1.63 0.00 0.00 0.00 175.29 174.97 1wfu n LYS 41 N 8.67 0.17 -2.40 9.60 5.02 -1.26 -4.90 118.16 133.06 1wfu n LYS 41 Ca 0.12 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 1wfu n LYS 41 Cb 0.49 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.68 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 -2.16 4.41 0.58 1.97 2.56 -1.26 -4.97 118.70 119.83 1wfu s GLU 42 Ca -0.11 1.79 -0.18 0.00 0.00 0.00 0.00 54.97 56.47 1wfu s GLU 42 Cb 0.04 -3.37 -0.12 0.00 2.00 0.00 0.00 34.13 32.68 1wfu s GLU 42 CO 0.14 -0.30 0.05 1.63 -0.56 0.00 0.00 175.26 176.22 1wfu n LYS 43 N 4.10 0.16 -1.53 4.30 4.76 -1.26 -4.78 118.16 123.90 1wfu n LYS 43 Ca 0.09 0.06 -0.44 0.00 -2.87 0.00 0.00 58.31 55.16 1wfu n LYS 43 Cb 0.46 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.38 1wfu n LYS 43 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1wfu n ARG 44 N 0.97 0.97 -0.05 1.97 0.00 -1.26 -4.95 116.66 114.32 1wfu n ARG 44 Ca 0.08 0.34 -0.06 0.00 -0.00 0.00 0.00 57.85 58.21 1wfu n ARG 44 Cb 0.48 -1.66 -0.02 0.00 -0.00 0.00 0.00 32.46 31.26 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wfu n GLN 45 N 0.66 0.37 -0.42 2.89 1.13 -1.26 -5.07 117.38 115.67 1wfu n GLN 45 Ca 0.11 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1wfu n GLN 45 Cb 0.33 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.55 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 1.90 1.46 3.77 1.08 0.00 -1.26 -5.09 105.19 107.05 1wfu n GLY 46 Ca -0.10 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1wfu n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 47 N 0.15 2.63 0.24 1.61 0.04 -1.26 -4.79 135.00 133.61 1wfu s PRO 47 Ca 0.00 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.38 1wfu s PRO 47 Cb 0.00 -1.93 0.58 0.00 0.04 0.00 0.00 34.50 33.19 1wfu s PRO 47 CO 0.00 -1.38 1.20 0.94 0.04 0.00 0.00 177.00 177.80 1wfu n GLN 48 N -2.76 -0.06 -0.24 4.56 7.27 -1.26 0.21 117.38 125.10 1wfu n GLN 48 Ca 0.10 1.15 0.04 0.00 0.07 0.00 0.00 57.00 58.36 1wfu n GLN 48 Cb 0.52 -1.82 0.17 0.00 2.41 0.00 0.00 30.24 31.52 1wfu n GLN 48 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1wfu h GLU 49 N 0.00 0.40 -0.78 3.69 4.11 -2.03 0.82 114.58 120.79 1wfu h GLU 49 Ca 0.46 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.98 1wfu h GLU 49 Cb 0.95 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1wfu h GLU 49 CO -0.72 0.27 0.51 1.96 0.07 0.00 0.00 179.01 181.10 1wfu h GLN 50 N 0.41 0.61 -5.00 1.06 1.08 0.22 -3.44 115.11 110.05 1wfu h GLN 50 Ca 0.39 -0.04 -0.48 0.00 -1.45 0.00 0.00 58.65 57.07 1wfu h GLN 50 Cb 0.58 -0.14 0.17 0.00 -0.05 0.00 0.00 27.48 28.05 1wfu h GLN 50 CO -0.40 0.40 -1.24 0.91 -0.95 0.00 0.00 178.83 177.55 1wfu n TRP 51 N -4.51 -3.34 -3.33 2.96 7.02 0.28 -4.53 117.44 112.00 1wfu n TRP 51 Ca 0.14 0.19 -0.31 0.00 -1.02 0.00 0.00 57.50 56.50 1wfu n TRP 51 Cb 0.40 -1.31 -0.04 0.00 -2.42 0.00 0.00 31.31 27.94 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 5.35 4.09 0.13 -0.99 1.43 -1.26 -4.73 118.68 122.71 1wfu s LEU 52 Ca 0.41 0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1wfu s LEU 52 Cb -0.29 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 1wfu s LEU 52 CO 0.62 -0.15 0.36 -0.60 0.23 0.00 0.00 176.35 176.81 1wfu s ARG 53 N -3.18 3.61 -0.08 1.70 3.52 -1.22 -4.76 118.95 118.54 1wfu s ARG 53 Ca 0.47 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1wfu s ARG 53 Cb -0.11 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1wfu s ARG 53 CO 0.25 0.49 0.04 -0.06 -0.81 0.00 0.00 175.30 175.21 1wfu s PHE 54 N -1.62 0.41 -0.06 5.12 0.08 -0.89 -3.08 117.98 117.94 1wfu s PHE 54 Ca 0.40 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.39 1wfu s PHE 54 Cb -0.12 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 1wfu s PHE 54 CO 0.24 -0.32 -0.10 -1.54 -0.10 0.00 0.00 175.22 173.40 1wfu s SER 55 N 2.06 4.37 -0.23 1.36 1.04 -0.98 -2.89 113.70 118.44 1wfu s SER 55 Ca 0.04 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1wfu s SER 55 Cb -0.13 -1.04 0.05 0.00 0.10 0.00 0.00 66.02 65.00 1wfu s SER 55 CO -0.05 0.35 -0.12 -0.63 0.98 0.00 0.00 173.24 173.78 1wfu s ILE 56 N -0.76 1.91 0.30 -1.02 -1.09 -0.35 -0.52 121.20 119.68 1wfu s ILE 56 Ca 0.12 -1.28 0.07 0.00 -2.23 0.00 0.00 60.65 57.33 1wfu s ILE 56 Cb -0.11 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 1wfu s ILE 56 CO 0.01 0.11 0.24 -1.61 -1.23 0.00 0.00 174.94 172.47 1wfu s GLU 57 N 1.26 2.79 -0.01 2.79 2.02 -0.90 -0.50 118.70 126.15 1wfu s GLU 57 Ca -0.04 -1.20 0.04 0.00 0.02 0.00 0.00 54.97 53.79 1wfu s GLU 57 Cb -0.18 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 1wfu s GLU 57 CO -0.07 0.23 -0.14 -1.83 0.02 0.00 0.00 175.26 173.47 1wfu s GLU 58 N -3.92 1.12 0.44 1.61 -1.05 0.28 -1.46 118.70 115.73 1wfu s GLU 58 Ca 0.37 -0.51 -0.09 0.00 -0.15 0.00 0.00 54.97 54.59 1wfu s GLU 58 Cb -0.07 -1.09 -0.05 0.00 -0.44 0.00 0.00 34.13 32.48 1wfu s GLU 58 CO 0.26 0.30 0.80 -2.00 0.95 0.00 0.00 175.26 175.56 1wfu s GLU 59 N -0.36 3.70 -0.11 -4.83 2.12 -1.05 -0.73 118.70 117.45 1wfu s GLU 59 Ca 0.05 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.83 1wfu s GLU 59 Cb -0.05 -2.36 -0.00 0.00 0.26 0.00 0.00 34.13 31.97 1wfu s GLU 59 CO -0.00 -0.13 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.86 1wfu s ASP 60 N -3.51 3.28 0.52 -1.70 1.01 -0.67 -4.71 116.67 110.90 1wfu s ASP 60 Ca 0.50 -0.51 0.31 0.00 0.71 0.00 0.00 52.55 53.56 1wfu s ASP 60 Cb -0.10 -1.44 1.27 0.00 1.01 0.00 0.00 42.92 43.66 1wfu s ASP 60 CO 0.37 0.16 1.96 1.55 0.21 0.00 0.00 175.17 179.42 1wfu h PRO 61 N 6.69 0.00 0.00 8.23 0.13 -1.97 0.61 132.00 145.69 1wfu h PRO 61 Ca -0.21 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.62 1wfu h PRO 61 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1wfu h PRO 61 CO 0.49 0.08 -2.08 0.36 -0.23 0.00 0.00 178.00 176.61 1wfu n LYS 62 N -3.22 0.45 0.19 0.86 2.85 -1.26 -4.54 118.16 113.48 1wfu n LYS 62 Ca 0.00 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 1wfu n LYS 62 Cb 0.33 -1.31 0.16 0.00 -0.65 0.00 0.00 35.03 33.56 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 -0.27 0.00 -4.92 -1.58 2.86 -1.98 -3.47 114.93 105.57 1wfu h MET 63 Ca -0.45 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 56.85 1wfu h MET 63 Cb 1.57 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.18 1wfu h MET 63 CO -0.16 0.00 -0.49 0.72 1.06 0.00 0.00 176.91 178.05 1wfu n HIS 64 N -2.95 -1.71 -4.24 -0.22 8.25 0.21 -4.92 115.22 109.64 1wfu n HIS 64 Ca 0.04 0.34 -0.14 0.00 -0.26 0.00 0.00 57.72 57.70 1wfu n HIS 64 Cb 0.52 -3.01 -0.10 0.00 1.12 0.00 0.00 29.99 28.52 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 -2.52 1.71 0.07 0.41 0.15 -1.25 -4.83 113.70 107.44 1wfu s SER 65 Ca 0.28 -0.99 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 1wfu s SER 65 Cb -0.14 -0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 1wfu s SER 65 CO 0.34 -0.33 0.34 -0.31 1.20 0.00 0.00 173.24 174.48 1wfu s TYR 66 N -3.23 3.54 -0.03 3.44 2.02 -1.26 -1.66 117.35 120.18 1wfu s TYR 66 Ca 0.15 0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 57.46 1wfu s TYR 66 Cb 0.02 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1wfu s TYR 66 CO 0.00 0.53 0.02 0.20 -1.57 0.00 0.00 175.55 174.73 1wfu s GLY 67 N -2.00 0.21 -0.62 0.71 0.00 0.09 -4.86 107.32 100.86 1wfu s GLY 67 Ca 0.34 0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.99 1wfu s GLY 67 CO 0.20 0.83 2.30 0.14 0.00 0.00 0.00 173.10 176.58 1wfu s VAL 68 N 1.34 3.08 0.08 1.40 1.01 -1.26 -0.56 120.40 125.50 1wfu s VAL 68 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1wfu s VAL 68 Cb -0.13 -3.21 -0.17 0.00 0.00 0.00 0.00 36.38 32.87 1wfu s VAL 68 CO -0.03 -0.20 1.30 0.16 0.00 0.00 0.00 175.10 176.34 1wfu h ILE 69 N 7.56 1.59 -3.61 2.22 3.07 -1.11 -3.46 117.51 123.76 1wfu h ILE 69 Ca -0.16 -3.24 -0.18 0.00 1.55 0.00 0.00 64.86 62.83 1wfu h ILE 69 Cb 1.16 2.78 -0.24 0.00 -0.27 0.00 0.00 36.82 40.26 1wfu h ILE 69 CO 1.13 0.90 -0.59 -0.47 -1.05 0.00 0.00 178.15 178.07 1wfu s TYR 70 N -2.75 0.02 -0.24 0.16 5.04 -0.74 -5.02 117.35 113.82 1wfu s TYR 70 Ca 0.01 -0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.57 1wfu s TYR 70 Cb 0.10 -0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.50 1wfu s TYR 70 CO 0.81 -0.16 0.40 -0.08 -1.34 0.00 0.00 175.55 175.18 1wfu s THR 71 N -0.74 -0.63 0.00 4.34 -1.32 -1.26 -1.21 115.64 114.81 1wfu s THR 71 Ca -0.08 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1wfu s THR 71 Cb -0.05 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1wfu s THR 71 CO 0.00 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1wfu n GLY 72 N 5.37 2.31 0.44 6.08 0.00 -1.14 -5.04 105.19 113.20 1wfu n GLY 72 Ca -0.04 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.51 1.61 4.02 -1.26 -2.09 117.16 116.93 1wfu n TYR 73 Ca 0.00 -1.11 -0.11 0.00 -0.01 0.00 0.00 57.90 56.67 1wfu n TYR 73 Cb 0.00 -0.19 0.05 0.00 -0.02 0.00 0.00 39.34 39.19 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 -1.06 0.17 -0.01 -0.72 0.00 -1.26 -4.96 120.51 112.68 1wfu n ALA 74 Ca 0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 1wfu n ALA 74 Cb 0.70 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 20.32 1wfu n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wfu n THR 75 N -2.04 0.08 -3.34 0.00 -2.24 -1.26 -4.83 114.28 100.65 1wfu n THR 75 Ca 0.08 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.56 1wfu n THR 75 Cb 0.29 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.03 3.56 -0.30 -0.78 3.52 -1.26 -1.22 118.95 120.44 1wfu s ARG 76 Ca -0.02 -0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1wfu s ARG 76 Cb 0.00 -2.65 0.19 0.00 -1.56 0.00 0.00 34.95 30.93 1wfu s ARG 76 CO 0.04 0.18 0.78 -1.58 -0.81 0.00 0.00 175.30 173.92 1wfu s HIS 77 N -2.18 -1.19 -0.70 5.12 5.65 0.17 -4.94 115.29 117.23 1wfu s HIS 77 Ca 0.42 1.18 -0.18 0.00 0.25 0.00 0.00 55.06 56.73 1wfu s HIS 77 Cb -0.10 0.39 0.13 0.00 -1.18 0.00 0.00 32.58 31.82 1wfu s HIS 77 CO 0.33 -0.65 0.78 0.08 -0.65 0.00 0.00 174.74 174.62 1wfu s VAL 78 N 2.90 4.99 -0.58 0.89 1.01 -1.26 -2.05 120.40 126.29 1wfu s VAL 78 Ca 0.12 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1wfu s VAL 78 Cb -0.12 -4.53 -0.11 0.00 0.00 0.00 0.00 36.38 31.62 1wfu s VAL 78 CO -0.18 -1.16 2.45 0.52 0.00 0.00 0.00 175.10 176.73 1wfu n VAL 79 N 5.20 -0.01 -1.94 2.92 0.31 -0.53 -4.78 118.33 119.50 1wfu n VAL 79 Ca 0.01 -0.52 -0.30 0.00 -0.01 0.00 0.00 64.34 63.52 1wfu n VAL 79 Cb 0.44 -2.09 0.03 0.00 -0.91 0.00 0.00 33.84 31.32 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 8.09 3.10 -0.39 5.55 2.02 -1.26 -2.76 118.70 133.04 1wfu s GLU 80 Ca 1.09 0.51 -0.05 0.00 0.02 0.00 0.00 54.97 56.54 1wfu s GLU 80 Cb -0.53 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1wfu s GLU 80 CO 0.35 -0.85 0.44 0.41 0.02 0.00 0.00 175.26 175.62 1wfu n GLY 81 N -2.88 -1.02 3.28 -1.39 0.00 -1.23 -5.00 105.19 96.95 1wfu n GLY 81 Ca 0.06 0.52 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.73 1.50 0.16 0.99 1.43 -0.86 -5.01 118.68 114.17 1wfu s LEU 82 Ca 0.08 -1.49 0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1wfu s LEU 82 Cb -0.02 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.43 1wfu s LEU 82 CO 0.51 -0.86 -0.17 -1.61 0.23 0.00 0.00 176.35 174.45 1wfu s GLU 83 N -3.93 1.81 0.46 1.70 2.02 -1.26 -4.61 118.70 114.89 1wfu s GLU 83 Ca 0.38 -1.32 -0.23 0.00 0.02 0.00 0.00 54.97 53.82 1wfu s GLU 83 Cb 0.06 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1wfu s GLU 83 CO 0.16 0.44 1.16 -1.25 0.02 0.00 0.00 175.26 175.79 1wfu s PRO 84 N -2.56 3.76 -1.40 0.39 0.04 -1.17 -3.05 135.00 131.02 1wfu s PRO 84 Ca 0.21 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1wfu s PRO 84 Cb -0.09 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1wfu s PRO 84 CO 0.12 -0.55 0.00 0.54 0.04 0.00 0.00 177.00 177.15 1wfu n ARG 85 N -0.48 -1.93 -4.83 4.56 1.74 -1.18 -4.86 116.66 109.67 1wfu n ARG 85 Ca 0.07 0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 57.61 1wfu n ARG 85 Cb 0.48 -5.38 -0.13 0.00 -1.02 0.00 0.00 32.46 26.41 1wfu n ARG 85 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wfu s THR 86 N -2.74 3.14 0.19 0.55 2.01 -1.17 -4.86 115.64 112.75 1wfu s THR 86 Ca 0.00 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.19 1wfu s THR 86 Cb 0.00 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 1wfu s THR 86 CO 0.00 0.58 0.57 -0.22 -0.69 0.00 0.00 174.62 174.86 1wfu s LEU 87 N -0.50 4.26 -0.05 4.42 2.96 -1.26 -1.34 118.68 127.18 1wfu s LEU 87 Ca 0.07 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 55.01 1wfu s LEU 87 Cb -0.12 -3.47 0.03 0.00 0.50 0.00 0.00 46.19 43.13 1wfu s LEU 87 CO 0.02 0.02 0.10 -0.31 -1.32 0.00 0.00 176.35 174.86 1wfu s TYR 88 N -1.62 -0.10 -0.15 5.38 1.51 0.17 -4.92 117.35 117.63 1wfu s TYR 88 Ca 0.42 0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 56.74 1wfu s TYR 88 Cb -0.13 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.58 1wfu s TYR 88 CO 0.20 -0.12 0.11 0.15 -1.11 0.00 0.00 175.55 174.78 1wfu s LYS 89 N 0.87 3.70 0.00 -0.62 1.02 -1.26 -1.03 119.74 122.42 1wfu s LYS 89 Ca -0.07 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1wfu s LYS 89 Cb -0.09 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1wfu s LYS 89 CO -0.04 0.54 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.84 1wfu s PHE 90 N -0.36 0.31 -0.02 3.18 0.08 -1.00 -2.53 117.98 117.64 1wfu s PHE 90 Ca 0.11 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.09 1wfu s PHE 90 Cb -0.12 -0.20 -0.02 0.00 -0.57 0.00 0.00 43.02 42.12 1wfu s PHE 90 CO 0.01 -0.03 -0.25 -0.98 -0.10 0.00 0.00 175.22 173.87 1wfu s ARG 91 N -0.35 2.03 -0.18 0.44 1.70 -0.53 -1.16 118.95 120.89 1wfu s ARG 91 Ca -0.02 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.27 1wfu s ARG 91 Cb -0.03 -1.96 -0.04 0.00 -0.57 0.00 0.00 34.95 32.35 1wfu s ARG 91 CO -0.00 0.54 0.08 -1.17 -1.08 0.00 0.00 175.30 173.67 1wfu s LEU 92 N -0.59 3.93 0.22 -1.89 2.96 -1.26 -2.12 118.68 119.93 1wfu s LEU 92 Ca 0.10 0.14 0.11 0.00 -0.22 0.00 0.00 54.13 54.25 1wfu s LEU 92 Cb -0.10 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1wfu s LEU 92 CO -0.01 0.20 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.29 1wfu s LYS 93 N 0.24 1.75 -0.09 1.98 2.20 0.32 0.49 119.74 126.62 1wfu s LYS 93 Ca 0.05 -1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 54.07 1wfu s LYS 93 Cb -0.12 -1.93 0.03 0.00 -1.51 0.00 0.00 37.83 34.30 1wfu s LYS 93 CO -0.00 0.39 0.24 0.14 -0.36 0.00 0.00 175.35 175.76 1wfu s VAL 94 N -1.93 -0.01 -0.11 4.02 -7.23 -1.03 -2.31 120.40 111.81 1wfu s VAL 94 Ca 0.25 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.43 1wfu s VAL 94 Cb -0.07 -0.34 0.03 0.00 0.56 0.00 0.00 36.38 36.55 1wfu s VAL 94 CO 0.13 0.01 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.00 1wfu s THR 95 N 0.33 0.79 0.83 5.32 2.01 -1.18 -1.00 115.64 122.75 1wfu s THR 95 Ca -0.02 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1wfu s THR 95 Cb -0.03 -0.91 0.10 0.00 0.01 0.00 0.00 72.50 71.67 1wfu s THR 95 CO -0.01 0.26 1.13 -0.44 -0.69 0.00 0.00 174.62 174.87 1wfu s SER 96 N 1.80 3.72 0.00 3.53 0.01 0.15 -3.39 113.70 119.52 1wfu s SER 96 Ca 0.04 2.06 0.11 0.00 1.31 0.00 0.00 55.95 59.47 1wfu s SER 96 Cb -0.13 -2.55 0.63 0.00 0.21 0.00 0.00 66.02 64.18 1wfu s SER 96 CO -0.07 -2.57 1.07 -0.81 0.41 0.00 0.00 173.24 171.28 1wfu n PRO 97 N -3.75 0.49 -0.07 12.44 -0.04 -1.26 -2.43 135.00 140.37 1wfu n PRO 97 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1wfu n PRO 97 Cb 0.52 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.04 0.00 3.54 7.64 -1.26 -5.03 113.62 119.72 1wfu n SER 98 Ca 0.08 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wfu n SER 98 Cb 0.04 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.35 1.72 3.57 0.23 0.00 -1.02 -5.14 105.19 106.90 1wfu n GLY 99 Ca -0.24 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 0.44 -3.53 1.61 -0.58 -1.26 -4.66 120.64 112.66 1wfu n GLU 100 Ca 0.00 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 1wfu n GLU 100 Cb 0.00 -2.09 -0.04 0.00 -0.57 0.00 0.00 31.44 28.74 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1wfu s TYR 101 N -1.85 -0.45 0.27 -0.32 1.13 -1.26 0.35 117.35 115.22 1wfu s TYR 101 Ca 0.71 0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 56.76 1wfu s TYR 101 Cb -0.35 0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 40.89 1wfu s TYR 101 CO 0.53 -0.71 0.31 -1.21 -2.51 0.00 0.00 175.55 171.96 1wfu s GLU 102 N -2.89 1.56 -0.00 -3.49 0.41 -0.17 -4.82 118.70 109.29 1wfu s GLU 102 Ca -0.03 -1.66 0.03 0.00 -0.41 0.00 0.00 54.97 52.90 1wfu s GLU 102 Cb -0.00 0.36 -0.01 0.00 -1.78 0.00 0.00 34.13 32.70 1wfu s GLU 102 CO -0.05 -0.59 -0.11 0.71 -0.49 0.00 0.00 175.26 174.72 1wfu s TYR 103 N -3.72 0.99 0.37 1.61 2.02 -1.26 -2.45 117.35 114.91 1wfu s TYR 103 Ca 0.34 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1wfu s TYR 103 Cb 0.03 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1wfu s TYR 103 CO 0.17 -0.01 0.59 -1.54 -1.57 0.00 0.00 175.55 173.18 1wfu s SER 104 N -0.39 6.30 -0.08 2.29 1.04 0.18 -4.40 113.70 118.63 1wfu s SER 104 Ca 0.03 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.72 1wfu s SER 104 Cb -0.05 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1wfu s SER 104 CO -0.00 -0.34 1.52 -2.16 0.98 0.00 0.00 173.24 173.23 1wfu s PRO 105 N -4.35 4.20 0.18 4.02 0.04 -1.26 -4.36 135.00 133.47 1wfu s PRO 105 Ca 0.41 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1wfu s PRO 105 Cb -0.10 -3.89 -0.16 0.00 0.04 0.00 0.00 34.50 30.39 1wfu s PRO 105 CO 0.37 -0.78 0.90 1.55 0.04 0.00 0.00 177.00 179.07 1wfu n VAL 106 N 5.39 1.37 -4.05 -0.36 3.14 -1.26 -4.70 118.33 117.86 1wfu n VAL 106 Ca 0.16 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.88 1wfu n VAL 106 Cb 0.43 -0.46 -0.15 0.00 -1.06 0.00 0.00 33.84 32.60 1wfu n VAL 106 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1wfu s VAL 107 N -0.62 1.96 -0.08 1.55 -7.23 -0.31 -4.92 120.40 110.75 1wfu s VAL 107 Ca 0.70 -1.29 -0.20 0.00 -1.81 0.00 0.00 61.98 59.38 1wfu s VAL 107 Cb -0.91 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1wfu s VAL 107 CO 0.56 0.14 0.55 -0.94 -0.31 0.00 0.00 175.10 175.09 1wfu s SER 108 N 1.24 6.82 0.00 4.85 1.04 -1.26 -2.38 113.70 124.01 1wfu s SER 108 Ca -0.04 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.37 1wfu s SER 108 Cb -0.17 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1wfu s SER 108 CO -0.08 0.01 -0.03 0.68 0.98 0.00 0.00 173.24 174.81 1wfu s VAL 109 N 0.41 0.22 -0.20 5.02 -7.23 -0.20 -4.91 120.40 113.51 1wfu s VAL 109 Ca 0.29 -0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 1wfu s VAL 109 Cb -0.16 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 1wfu s VAL 109 CO 0.14 -0.04 -0.03 0.00 -0.31 0.00 0.00 175.10 174.86 1wfu s ALA 110 N -0.31 2.90 1.17 1.32 0.00 -1.26 0.46 121.76 126.04 1wfu s ALA 110 Ca -0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 1wfu s ALA 110 Cb -0.03 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.53 1wfu s ALA 110 CO -0.00 -0.24 0.36 0.25 0.00 0.00 0.00 175.76 176.13 1wfu n THR 111 N 4.44 0.00 -4.07 0.00 -2.24 -0.45 -4.86 114.28 107.09 1wfu n THR 111 Ca -0.18 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1wfu n THR 111 Cb 0.51 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.52 4.65 0.43 4.28 -4.23 -1.25 -3.59 115.64 114.41 1wfu s THR 112 Ca 0.27 -1.18 -0.25 0.00 -1.18 0.00 0.00 61.69 59.35 1wfu s THR 112 Cb -0.04 -3.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.26 1wfu s THR 112 CO 0.22 -0.25 1.33 0.00 -0.54 0.00 0.00 174.62 175.38 1wfu s ARG 113 N -3.57 3.80 0.97 3.99 1.70 -1.26 -3.12 118.95 121.47 1wfu s ARG 113 Ca 0.33 2.20 -0.12 0.00 -0.47 0.00 0.00 55.73 57.67 1wfu s ARG 113 Cb -0.09 -2.66 0.12 0.00 -0.57 0.00 0.00 34.95 31.75 1wfu s ARG 113 CO 0.25 -0.64 0.81 0.39 -1.08 0.00 0.00 175.30 175.03 1wfu n GLU 114 N -0.10 -0.70 -4.16 3.89 1.02 -1.26 -4.76 120.64 114.56 1wfu n GLU 114 Ca 0.05 -0.15 -0.24 0.00 -0.02 0.00 0.00 57.16 56.80 1wfu n GLU 114 Cb 0.44 -2.14 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 1wfu n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wfu s SER 115 N -2.35 5.21 0.00 1.62 0.15 -1.26 -4.97 113.70 112.09 1wfu s SER 115 Ca 0.63 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1wfu s SER 115 Cb -0.22 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1wfu s SER 115 CO 0.63 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.69 1wfu n GLY 116 N -0.77 -0.64 0.19 9.45 0.00 -1.26 -4.94 105.19 107.21 1wfu n GLY 116 Ca -0.08 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -5.68 1.61 0.13 -2.06 -3.43 132.00 122.57 1wfu h PRO 117 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1wfu h PRO 117 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wfu h PRO 117 CO 0.00 0.00 1.61 -1.13 -0.23 0.00 0.00 178.00 178.25 1wfu n SER 118 N -2.55 2.46 -0.05 1.44 3.41 -1.26 -4.82 113.62 112.25 1wfu n SER 118 Ca 0.01 -0.31 -0.06 0.00 -0.26 0.00 0.00 58.87 58.25 1wfu n SER 118 Cb 0.25 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 62.60 1wfu n SER 118 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfu h SER 119 N 18.25 -0.01 0.00 4.04 0.87 -2.04 -3.51 113.55 131.16 1wfu h SER 119 Ca -0.27 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1wfu h SER 119 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1wfu h SER 119 CO 1.12 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.71