#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 -0.29 1.61 1.04 -1.26 -4.88 113.70 116.75 1wfu s SER 2 Ca 0.00 -2.50 -0.16 0.00 0.48 0.00 0.00 55.95 53.77 1wfu s SER 2 Cb 0.00 -2.39 0.18 0.00 0.10 0.00 0.00 66.02 63.91 1wfu s SER 2 CO 0.00 -0.90 1.13 -0.94 0.98 0.00 0.00 173.24 173.50 1wfu s SER 3 N 3.22 -0.28 0.00 7.02 1.04 -1.26 -4.99 113.70 118.46 1wfu s SER 3 Ca 0.37 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1wfu s SER 3 Cb -0.04 1.10 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1wfu s SER 3 CO -0.05 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wfu n GLY 4 N 3.34 2.47 3.85 7.32 0.00 -1.26 -4.93 105.19 115.99 1wfu n GLY 4 Ca -0.18 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 1wfu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfu s SER 5 N 0.00 -0.26 0.20 1.61 0.15 -1.26 -5.17 113.70 108.97 1wfu s SER 5 Ca 0.00 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 56.03 1wfu s SER 5 Cb 0.00 0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 64.98 1wfu s SER 5 CO 0.00 -1.32 0.43 -0.55 1.20 0.00 0.00 173.24 172.99 1wfu s SER 6 N -2.92 6.44 0.11 5.45 0.15 -1.26 -4.84 113.70 116.83 1wfu s SER 6 Ca 0.11 0.54 0.10 0.00 0.70 0.00 0.00 55.95 57.40 1wfu s SER 6 Cb -0.06 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1wfu s SER 6 CO 0.07 -0.05 -0.25 -0.83 1.20 0.00 0.00 173.24 173.38 1wfu s GLY 7 N -2.90 1.46 0.27 9.45 0.00 -1.26 -5.13 107.32 109.21 1wfu s GLY 7 Ca 0.41 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.56 1wfu s GLY 7 CO 0.28 -1.34 0.67 -3.16 0.00 0.00 0.00 173.10 169.55 1wfu s MET 8 N -1.87 1.73 -0.11 2.90 0.23 -1.26 -5.17 119.30 115.76 1wfu s MET 8 Ca 0.12 -1.02 -0.02 0.00 -1.03 0.00 0.00 55.69 53.74 1wfu s MET 8 Cb -0.10 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 33.76 1wfu s MET 8 CO 0.05 -0.78 -0.04 -1.83 -2.03 0.00 0.00 175.02 170.39 1wfu s GLU 9 N -3.93 3.16 1.24 3.16 -1.05 -1.26 -5.12 118.70 114.90 1wfu s GLU 9 Ca 0.13 -0.50 -0.21 0.00 -0.15 0.00 0.00 54.97 54.24 1wfu s GLU 9 Cb -0.05 -2.77 0.30 0.00 -0.44 0.00 0.00 34.13 31.18 1wfu s GLU 9 CO 0.07 0.52 1.11 -1.25 0.95 0.00 0.00 175.26 176.66 1wfu s PRO 10 N -0.39 -1.53 1.10 -4.83 0.04 -1.26 -5.00 135.00 123.13 1wfu s PRO 10 Ca 0.06 -0.18 -0.19 0.00 0.04 0.00 0.00 61.00 60.73 1wfu s PRO 10 Cb -0.12 -1.57 0.08 0.00 0.04 0.00 0.00 34.50 32.93 1wfu s PRO 10 CO 0.02 -3.89 -0.15 1.58 0.04 0.00 0.00 177.00 174.60 1wfu n HIS 11 N -4.87 -1.54 -0.28 0.56 -0.00 -1.26 -4.74 115.22 103.09 1wfu n HIS 11 Ca 0.15 0.18 0.10 0.00 -0.00 0.00 0.00 57.72 58.14 1wfu n HIS 11 Cb 0.60 -1.51 0.20 0.00 -0.00 0.00 0.00 29.99 29.28 1wfu n HIS 11 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1wfu n LYS 12 N -1.50 -0.07 -3.61 1.57 4.81 -1.26 -4.20 118.16 113.90 1wfu n LYS 12 Ca 0.01 1.23 -0.35 0.00 -0.87 0.00 0.00 58.31 58.32 1wfu n LYS 12 Cb 0.61 -1.91 -0.05 0.00 0.02 0.00 0.00 35.03 33.69 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wfu s VAL 13 N -5.84 5.14 0.04 3.15 1.01 -1.26 -5.07 120.40 117.57 1wfu s VAL 13 Ca -0.11 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1wfu s VAL 13 Cb 0.23 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1wfu s VAL 13 CO 0.63 0.36 0.77 0.54 0.00 0.00 0.00 175.10 177.40 1wfu s VAL 14 N -1.32 4.73 0.94 2.92 0.11 -1.26 -4.89 120.40 121.63 1wfu s VAL 14 Ca 0.30 1.64 -0.12 0.00 -2.93 0.00 0.00 61.98 60.87 1wfu s VAL 14 Cb -0.14 -4.12 0.15 0.00 -1.53 0.00 0.00 36.38 30.74 1wfu s VAL 14 CO 0.16 0.36 1.09 -2.16 -3.33 0.00 0.00 175.10 171.23 1wfu s PRO 15 N -0.04 0.94 1.13 1.54 0.04 -1.26 -5.03 135.00 132.32 1wfu s PRO 15 Ca 0.39 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1wfu s PRO 15 Cb -0.21 -1.78 0.25 0.00 0.04 0.00 0.00 34.50 32.80 1wfu s PRO 15 CO 0.23 -2.43 1.08 -0.48 0.04 0.00 0.00 177.00 175.44 1wfu s LEU 16 N -6.31 0.95 -0.02 -3.56 0.05 -1.26 -4.97 118.68 103.56 1wfu s LEU 16 Ca 0.64 1.00 -0.30 0.00 0.05 0.00 0.00 54.13 55.52 1wfu s LEU 16 Cb -0.18 -2.93 -0.03 0.00 -2.05 0.00 0.00 46.19 41.00 1wfu s LEU 16 CO 0.57 -3.80 1.02 -0.94 -0.55 0.00 0.00 176.35 172.65 1wfu s SER 17 N -3.46 7.30 0.21 1.48 1.04 -1.26 -4.96 113.70 114.05 1wfu s SER 17 Ca 0.68 1.68 -0.29 0.00 0.48 0.00 0.00 55.95 58.49 1wfu s SER 17 Cb -0.16 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.23 1wfu s SER 17 CO 0.58 -0.34 0.78 0.29 0.98 0.00 0.00 173.24 175.53 1wfu n LYS 18 N 4.20 0.56 -1.88 4.02 5.02 -1.26 -4.90 118.16 123.91 1wfu n LYS 18 Ca 0.07 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 1wfu n LYS 18 Cb 0.50 -1.40 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.05 2.94 0.48 1.97 0.04 -1.25 -5.01 135.00 133.11 1wfu s PRO 19 Ca 0.65 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1wfu s PRO 19 Cb -0.87 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1wfu s PRO 19 CO 0.57 -1.15 0.85 -1.01 0.04 0.00 0.00 177.00 176.30 1wfu s HIS 20 N -2.20 3.52 0.31 0.56 3.76 -1.26 -4.26 115.29 115.73 1wfu s HIS 20 Ca 0.68 1.07 -0.29 0.00 -0.15 0.00 0.00 55.06 56.38 1wfu s HIS 20 Cb -0.21 -2.50 -0.10 0.00 1.11 0.00 0.00 32.58 30.88 1wfu s HIS 20 CO 0.38 -0.30 1.23 -1.25 -0.85 0.00 0.00 174.74 173.95 1wfu s PRO 21 N -4.39 4.47 0.34 8.40 0.04 -1.26 -4.84 135.00 137.75 1wfu s PRO 21 Ca 0.52 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 1wfu s PRO 21 Cb -0.10 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 1wfu s PRO 21 CO 0.39 -0.03 1.22 -1.25 0.04 0.00 0.00 177.00 177.37 1wfu s PRO 22 N -1.66 4.35 0.43 0.56 0.04 -1.26 -5.00 135.00 132.46 1wfu s PRO 22 Ca 0.47 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 1wfu s PRO 22 Cb -0.37 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1wfu s PRO 22 CO 0.48 -0.12 0.85 0.08 0.04 0.00 0.00 177.00 178.34 1wfu s VAL 23 N -1.21 4.66 -0.44 -0.36 1.01 -1.12 -4.88 120.40 118.05 1wfu s VAL 23 Ca 0.50 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 1wfu s VAL 23 Cb -0.35 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.44 1wfu s VAL 23 CO 0.46 -0.51 0.23 -0.69 0.00 0.00 0.00 175.10 174.58 1wfu s VAL 24 N -2.39 3.16 0.00 2.92 1.01 -1.26 -1.95 120.40 121.90 1wfu s VAL 24 Ca 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1wfu s VAL 24 Cb -0.10 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1wfu s VAL 24 CO 0.28 -0.72 0.13 0.61 0.00 0.00 0.00 175.10 175.40 1wfu n GLY 25 N 4.25 -0.06 3.72 4.51 0.00 -1.23 -4.81 105.19 111.56 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 -0.26 4.47 -0.30 1.61 2.20 -1.26 -4.95 119.74 121.25 1wfu s LYS 26 Ca 0.00 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.64 1wfu s LYS 26 Cb 0.00 -3.44 0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1wfu s LYS 26 CO 0.00 0.06 -0.03 0.54 -0.36 0.00 0.00 175.35 175.56 1wfu s VAL 27 N 0.77 2.38 0.26 4.02 0.11 -1.26 -0.44 120.40 126.24 1wfu s VAL 27 Ca 0.41 -1.84 0.08 0.00 -2.93 0.00 0.00 61.98 57.70 1wfu s VAL 27 Cb -0.19 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1wfu s VAL 27 CO 0.21 -0.25 0.16 0.42 -3.33 0.00 0.00 175.10 172.31 1wfu s THR 28 N 1.06 4.15 -2.02 5.04 -4.23 -0.60 -4.46 115.64 114.58 1wfu s THR 28 Ca -0.02 -1.51 0.15 0.00 -1.18 0.00 0.00 61.69 59.13 1wfu s THR 28 Cb -0.20 -3.26 0.42 0.00 1.34 0.00 0.00 72.50 70.80 1wfu s THR 28 CO -0.05 -0.34 1.56 0.00 -0.54 0.00 0.00 174.62 175.24 1wfu n HIS 29 N -1.13 0.03 0.00 3.99 1.44 -1.26 -3.17 115.22 115.12 1wfu n HIS 29 Ca -0.07 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1wfu n HIS 29 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.61 0.00 -3.84 -1.40 -0.00 -1.26 -3.44 115.22 104.67 1wfu n HIS 30 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.77 1wfu n HIS 30 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.06 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfu s SER 31 N -1.23 -0.20 -0.06 4.39 1.04 -1.19 -2.03 113.70 114.41 1wfu s SER 31 Ca 0.00 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1wfu s SER 31 Cb 0.00 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1wfu s SER 31 CO 0.00 -1.32 -0.06 -0.63 0.98 0.00 0.00 173.24 172.21 1wfu s ILE 32 N -3.52 0.71 0.26 -1.02 1.01 -0.41 -1.56 121.20 116.67 1wfu s ILE 32 Ca 0.12 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1wfu s ILE 32 Cb -0.05 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.59 1wfu s ILE 32 CO 0.07 0.28 0.94 -0.70 0.00 0.00 0.00 174.94 175.53 1wfu s GLU 33 N 1.17 4.79 -0.03 2.79 2.12 0.42 -1.26 118.70 128.70 1wfu s GLU 33 Ca -0.07 1.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.69 1wfu s GLU 33 Cb -0.14 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1wfu s GLU 33 CO -0.01 0.47 0.07 -0.51 -0.54 0.00 0.00 175.26 174.74 1wfu s LEU 34 N -1.38 1.72 -0.20 2.70 1.43 0.17 -3.48 118.68 119.65 1wfu s LEU 34 Ca 0.43 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1wfu s LEU 34 Cb -0.24 0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.31 1wfu s LEU 34 CO 0.30 -0.03 0.42 -0.72 0.23 0.00 0.00 176.35 176.56 1wfu s TYR 35 N 0.04 -0.79 -0.28 0.29 -0.85 -0.82 0.05 117.35 114.98 1wfu s TYR 35 Ca -0.00 1.52 0.11 0.00 -0.52 0.00 0.00 57.07 58.18 1wfu s TYR 35 Cb -0.01 0.31 0.47 0.00 0.38 0.00 0.00 41.96 43.11 1wfu s TYR 35 CO 0.00 -0.48 1.17 -2.67 -1.52 0.00 0.00 175.55 172.06 1wfu n TRP 36 N 5.33 2.27 1.09 -3.49 2.14 0.30 -2.79 117.44 122.28 1wfu n TRP 36 Ca -0.09 -2.15 0.00 0.00 2.07 0.00 0.00 57.50 57.33 1wfu n TRP 36 Cb 0.50 -0.31 0.01 0.00 -0.81 0.00 0.00 31.31 30.70 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 -0.69 0.96 -0.01 -0.67 5.75 -1.26 -3.53 116.55 117.11 1wfu n ASP 37 Ca 0.34 -2.01 -0.22 0.00 -0.01 0.00 0.00 54.79 52.89 1wfu n ASP 37 Cb 0.92 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 40.43 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1wfu h LEU 38 N 0.07 0.37 0.30 -2.12 3.38 -1.94 -3.37 115.31 111.99 1wfu h LEU 38 Ca 0.00 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 1wfu h LEU 38 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wfu h LEU 38 CO 0.01 1.81 -0.25 -0.33 0.09 0.00 0.00 178.44 179.76 1wfu h GLU 39 N -0.09 -0.52 -2.08 1.13 5.08 -1.98 -2.74 114.58 113.39 1wfu h GLU 39 Ca -0.41 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 1wfu h GLU 39 Cb 1.93 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1wfu h GLU 39 CO 0.05 -0.34 -0.22 0.00 -1.00 0.00 0.00 179.01 177.49 1wfu n GLN 40 N -3.87 1.57 -2.03 2.33 0.00 -1.26 -4.31 117.38 109.81 1wfu n GLN 40 Ca -0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 57.00 55.98 1wfu n GLN 40 Cb 0.24 -1.73 0.03 0.00 0.00 0.00 0.00 30.24 28.78 1wfu n GLN 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1wfu n LYS 41 N 2.31 3.35 -0.06 2.61 4.81 -1.03 -4.63 118.16 125.50 1wfu n LYS 41 Ca 0.29 -4.07 -0.10 0.00 -0.87 0.00 0.00 58.31 53.56 1wfu n LYS 41 Cb 0.73 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.45 1wfu n LYS 41 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wfu n GLU 42 N -0.66 0.31 -3.38 1.64 2.13 -1.26 -5.06 120.64 114.36 1wfu n GLU 42 Ca 0.46 0.08 0.02 0.00 0.66 0.00 0.00 57.16 58.39 1wfu n GLU 42 Cb 0.77 -1.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.23 1wfu n GLU 42 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1wfu s LYS 43 N -2.25 0.17 -0.09 5.31 -2.85 -1.26 -5.05 119.74 113.71 1wfu s LYS 43 Ca -0.17 0.38 0.06 0.00 -1.00 0.00 0.00 55.97 55.23 1wfu s LYS 43 Cb 0.05 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 1wfu s LYS 43 CO 0.28 -0.05 0.00 0.54 0.10 0.00 0.00 175.35 176.23 1wfu n ARG 44 N 4.38 2.19 -1.33 1.78 5.12 -1.26 -4.98 116.66 122.55 1wfu n ARG 44 Ca -0.10 0.01 -0.50 0.00 -1.93 0.00 0.00 57.85 55.32 1wfu n ARG 44 Cb 0.55 -1.21 -0.13 0.00 -1.16 0.00 0.00 32.46 30.51 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1wfu n GLN 45 N -2.40 0.00 -2.43 5.56 6.02 -1.26 -4.58 117.38 118.28 1wfu n GLN 45 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1wfu n GLN 45 Cb 0.75 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfu n GLY 46 N 6.88 -0.08 3.65 1.08 0.00 -1.26 -5.14 105.19 110.31 1wfu n GLY 46 Ca 0.59 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.14 -0.11 1.61 0.04 -1.26 -5.01 135.00 128.13 1wfu s PRO 47 Ca 0.00 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.23 1wfu s PRO 47 Cb 0.00 -1.69 -0.27 0.00 0.04 0.00 0.00 34.50 32.59 1wfu s PRO 47 CO 0.00 -3.07 0.50 0.37 0.04 0.00 0.00 177.00 174.83 1wfu h GLN 48 N -2.13 0.25 0.00 4.56 4.15 -2.00 -3.33 115.11 116.61 1wfu h GLN 48 Ca -0.52 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.47 1wfu h GLN 48 Cb 1.32 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1wfu h GLN 48 CO 0.51 1.20 0.33 1.05 -1.93 0.00 0.00 178.83 179.99 1wfu h GLU 49 N -0.22 0.00 -0.88 1.69 -0.00 -2.02 0.35 114.58 113.49 1wfu h GLU 49 Ca -0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 58.90 1wfu h GLU 49 Cb 1.83 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 30.51 1wfu h GLU 49 CO 0.06 0.00 0.15 0.94 -0.00 0.00 0.00 179.01 180.16 1wfu n GLN 50 N -2.55 2.44 -4.00 1.06 -0.06 -1.25 -4.90 117.38 108.12 1wfu n GLN 50 Ca -0.02 -1.63 -0.22 0.00 -2.00 0.00 0.00 57.00 53.14 1wfu n GLN 50 Cb 0.37 -1.78 -0.04 0.00 -4.06 0.00 0.00 30.24 24.72 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 -1.84 3.00 -0.01 3.69 0.52 0.12 -5.00 118.94 119.43 1wfu s TRP 51 Ca 0.29 -0.20 -0.05 0.00 0.02 0.00 0.00 56.10 56.17 1wfu s TRP 51 Cb 0.23 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 1wfu s TRP 51 CO 0.07 0.39 0.22 -0.51 0.02 0.00 0.00 176.95 177.14 1wfu s LEU 52 N -3.90 4.37 0.34 2.99 1.02 -1.26 -4.62 118.68 117.62 1wfu s LEU 52 Ca 0.36 0.46 -0.14 0.00 0.02 0.00 0.00 54.13 54.84 1wfu s LEU 52 Cb -0.07 -2.61 -0.08 0.00 0.02 0.00 0.00 46.19 43.44 1wfu s LEU 52 CO 0.25 0.27 0.74 -0.60 0.02 0.00 0.00 176.35 177.03 1wfu s ARG 53 N -1.80 3.94 -0.09 1.70 3.52 -1.22 -4.80 118.95 120.21 1wfu s ARG 53 Ca 0.27 0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 56.46 1wfu s ARG 53 Cb -0.13 -2.43 0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1wfu s ARG 53 CO 0.16 0.12 0.02 -0.06 -0.81 0.00 0.00 175.30 174.73 1wfu s PHE 54 N -2.07 0.63 -0.22 5.12 0.08 -0.82 -2.80 117.98 117.90 1wfu s PHE 54 Ca 0.53 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.38 1wfu s PHE 54 Cb -0.10 -0.80 0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1wfu s PHE 54 CO 0.21 -0.36 -0.14 -1.12 -0.10 0.00 0.00 175.22 173.70 1wfu s SER 55 N 1.99 3.78 -0.01 1.36 0.01 -0.75 -2.66 113.70 117.41 1wfu s SER 55 Ca 0.04 -1.03 -0.07 0.00 1.31 0.00 0.00 55.95 56.20 1wfu s SER 55 Cb -0.13 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 1wfu s SER 55 CO -0.06 -0.11 0.26 -0.63 0.41 0.00 0.00 173.24 173.11 1wfu s ILE 56 N 1.22 5.31 0.30 1.44 -1.09 -0.15 -1.62 121.20 126.61 1wfu s ILE 56 Ca -0.02 0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1wfu s ILE 56 Cb -0.17 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1wfu s ILE 56 CO -0.09 0.42 0.11 -1.61 -1.23 0.00 0.00 174.94 172.54 1wfu s GLU 57 N -1.61 1.55 -0.04 2.79 8.01 -0.87 -1.39 118.70 127.13 1wfu s GLU 57 Ca 0.25 -1.87 -0.07 0.00 0.01 0.00 0.00 54.97 53.30 1wfu s GLU 57 Cb -0.13 -0.36 0.01 0.00 -4.31 0.00 0.00 34.13 29.34 1wfu s GLU 57 CO 0.14 -0.33 0.17 -1.83 0.01 0.00 0.00 175.26 173.42 1wfu s GLU 58 N -3.93 0.31 0.33 1.61 -1.05 -0.98 -2.34 118.70 112.65 1wfu s GLU 58 Ca 0.36 0.03 -0.03 0.00 -0.15 0.00 0.00 54.97 55.18 1wfu s GLU 58 Cb 0.07 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 1wfu s GLU 58 CO 0.15 -0.06 0.58 -2.00 0.95 0.00 0.00 175.26 174.88 1wfu s GLU 59 N -0.41 3.58 -0.15 -4.83 2.12 -1.02 -2.13 118.70 115.85 1wfu s GLU 59 Ca -0.05 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.19 1wfu s GLU 59 Cb -0.03 -2.62 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 1wfu s GLU 59 CO 0.01 0.15 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.27 1wfu s ASP 60 N -3.52 4.15 0.45 -1.70 1.01 0.39 -4.70 116.67 112.75 1wfu s ASP 60 Ca 0.43 -0.32 0.30 0.00 0.71 0.00 0.00 52.55 53.67 1wfu s ASP 60 Cb -0.10 -1.66 1.26 0.00 1.01 0.00 0.00 42.92 43.43 1wfu s ASP 60 CO 0.33 0.12 1.90 1.55 0.21 0.00 0.00 175.17 179.28 1wfu h PRO 61 N 7.05 0.00 0.00 8.23 0.13 -1.96 1.11 132.00 146.55 1wfu h PRO 61 Ca -0.31 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.54 1wfu h PRO 61 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1wfu h PRO 61 CO 0.58 0.00 -2.08 0.36 -0.23 0.00 0.00 178.00 176.63 1wfu n LYS 62 N -2.77 0.89 0.00 0.86 0.00 -1.26 -4.48 118.16 111.40 1wfu n LYS 62 Ca 0.01 0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.51 1wfu n LYS 62 Cb 0.27 -1.39 0.17 0.00 -0.00 0.00 0.00 35.03 34.08 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 -2.87 1.45 -1.96 -1.58 2.81 -1.20 -4.93 117.12 108.85 1wfu n MET 63 Ca -0.31 -1.11 0.00 0.00 -1.81 0.00 0.00 57.70 54.48 1wfu n MET 63 Cb 0.92 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.19 -1.62 -4.50 2.03 8.25 0.38 -4.84 115.22 115.11 1wfu n HIS 64 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 1wfu n HIS 64 Cb 0.46 -0.97 -0.10 0.00 1.12 0.00 0.00 29.99 30.50 1wfu n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wfu s SER 65 N -1.62 3.40 0.42 0.41 0.01 -1.24 -4.81 113.70 110.26 1wfu s SER 65 Ca 0.00 -1.19 0.08 0.00 1.31 0.00 0.00 55.95 56.15 1wfu s SER 65 Cb 0.00 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1wfu s SER 65 CO 0.00 -0.24 0.41 -0.31 0.41 0.00 0.00 173.24 173.51 1wfu s TYR 66 N -2.74 2.70 -0.29 2.43 1.51 -1.26 -0.46 117.35 119.24 1wfu s TYR 66 Ca 0.31 -0.48 -0.18 0.00 -1.01 0.00 0.00 57.07 55.71 1wfu s TYR 66 Cb 0.03 -2.20 0.13 0.00 -0.11 0.00 0.00 41.96 39.81 1wfu s TYR 66 CO 0.15 -0.18 0.95 0.20 -1.11 0.00 0.00 175.55 175.56 1wfu s GLY 67 N -4.17 -0.09 -0.38 0.71 0.00 -0.91 -4.95 107.32 97.53 1wfu s GLY 67 Ca 0.49 2.99 -0.27 0.00 0.00 0.00 0.00 44.72 47.93 1wfu s GLY 67 CO 0.29 2.45 2.30 0.14 0.00 0.00 0.00 173.10 178.27 1wfu s VAL 68 N 1.19 3.03 0.03 1.40 1.01 -1.26 -2.32 120.40 123.48 1wfu s VAL 68 Ca -0.07 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1wfu s VAL 68 Cb -0.04 -3.06 -0.23 0.00 0.00 0.00 0.00 36.38 33.05 1wfu s VAL 68 CO -0.14 -0.05 0.95 0.16 0.00 0.00 0.00 175.10 176.02 1wfu h ILE 69 N 7.43 1.25 -3.52 2.22 3.07 -1.55 -3.47 117.51 122.94 1wfu h ILE 69 Ca -0.31 -3.02 -0.19 0.00 1.55 0.00 0.00 64.86 62.90 1wfu h ILE 69 Cb 1.25 2.65 -0.25 0.00 -0.27 0.00 0.00 36.82 40.20 1wfu h ILE 69 CO 1.08 0.74 -0.58 -0.47 -1.05 0.00 0.00 178.15 177.87 1wfu s TYR 70 N -2.65 -0.05 -0.18 0.16 6.14 -0.90 -5.02 117.35 114.84 1wfu s TYR 70 Ca -0.03 0.12 -0.10 0.00 0.64 0.00 0.00 57.07 57.71 1wfu s TYR 70 Cb 0.09 -0.00 0.06 0.00 0.42 0.00 0.00 41.96 42.53 1wfu s TYR 70 CO 0.83 -0.12 0.44 -0.08 0.64 0.00 0.00 175.55 177.26 1wfu s THR 71 N -0.40 -0.05 -2.15 4.34 -1.32 -1.26 -0.98 115.64 113.81 1wfu s THR 71 Ca -0.05 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1wfu s THR 71 Cb -0.03 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 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 4.33 -0.68 0.27 6.08 0.00 -1.09 -4.99 105.19 109.11 1wfu n GLY 72 Ca -0.22 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 3.87 0.00 -2.90 1.61 4.02 -1.26 -1.95 117.16 120.56 1wfu n TYR 73 Ca 0.00 -1.09 -0.22 0.00 -0.01 0.00 0.00 57.90 56.58 1wfu n TYR 73 Cb 0.00 -0.17 0.02 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 -2.81 3.85 -0.05 -0.72 0.00 -1.26 -4.92 121.76 115.85 1wfu s ALA 74 Ca 0.32 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1wfu s ALA 74 Cb 0.30 -2.08 -0.15 0.00 0.00 0.00 0.00 23.12 21.18 1wfu s ALA 74 CO -0.00 -0.48 0.16 0.25 0.00 0.00 0.00 175.76 175.69 1wfu n THR 75 N -2.14 0.28 -3.87 0.00 -2.24 -1.26 -4.67 114.28 100.38 1wfu n THR 75 Ca 0.04 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1wfu n THR 75 Cb 0.58 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.56 3.45 0.02 -0.78 3.52 -1.26 -0.54 118.95 120.80 1wfu s ARG 76 Ca -0.04 -0.68 -0.28 0.00 -0.13 0.00 0.00 55.73 54.60 1wfu s ARG 76 Cb 0.05 -2.86 0.10 0.00 -1.56 0.00 0.00 34.95 30.68 1wfu s ARG 76 CO 0.44 0.39 0.83 -1.58 -0.81 0.00 0.00 175.30 174.58 1wfu s HIS 77 N -2.01 -0.39 -0.16 5.12 2.46 0.11 -4.95 115.29 115.47 1wfu s HIS 77 Ca 0.35 0.25 -0.05 0.00 0.47 0.00 0.00 55.06 56.09 1wfu s HIS 77 Cb -0.09 0.54 0.08 0.00 -0.13 0.00 0.00 32.58 32.97 1wfu s HIS 77 CO 0.30 -0.60 0.28 0.08 -2.47 0.00 0.00 174.74 172.33 1wfu s VAL 78 N -3.18 -0.44 -0.53 0.89 1.01 -1.26 0.41 120.40 117.31 1wfu s VAL 78 Ca 0.04 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1wfu s VAL 78 Cb -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1wfu s VAL 78 CO -0.09 0.05 1.10 -0.69 0.00 0.00 0.00 175.10 175.46 1wfu s VAL 79 N 2.43 4.20 0.79 2.92 1.01 -0.39 -4.87 120.40 126.49 1wfu s VAL 79 Ca 0.03 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 1wfu s VAL 79 Cb -0.13 -4.62 0.15 0.00 0.00 0.00 0.00 36.38 31.78 1wfu s VAL 79 CO -0.10 -1.13 1.08 -1.61 0.00 0.00 0.00 175.10 173.34 1wfu s GLU 80 N 4.48 1.37 -0.68 2.72 2.02 -1.26 -1.29 118.70 126.05 1wfu s GLU 80 Ca 0.42 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 1wfu s GLU 80 Cb -0.08 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1wfu s GLU 80 CO 0.27 -1.72 0.65 0.41 0.02 0.00 0.00 175.26 174.89 1wfu n GLY 81 N -3.07 -1.13 3.39 -1.39 0.00 -1.10 -4.91 105.19 96.98 1wfu n GLY 81 Ca 0.16 0.72 -0.19 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.88 2.02 0.08 0.99 1.43 -0.86 -5.01 118.68 113.46 1wfu s LEU 82 Ca 0.08 -1.36 0.04 0.00 -1.03 0.00 0.00 54.13 51.87 1wfu s LEU 82 Cb -0.02 -0.25 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1wfu s LEU 82 CO 0.81 -0.63 0.03 -1.61 0.23 0.00 0.00 176.35 175.18 1wfu s GLU 83 N -3.93 2.70 0.29 1.70 2.02 -1.26 -4.57 118.70 115.65 1wfu s GLU 83 Ca 0.36 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.29 1wfu s GLU 83 Cb 0.08 -2.62 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 1wfu s GLU 83 CO 0.14 0.56 1.24 -1.25 0.02 0.00 0.00 175.26 175.97 1wfu s PRO 84 N -2.30 4.45 -1.43 0.39 0.04 -1.22 -3.17 135.00 131.76 1wfu s PRO 84 Ca 0.27 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.27 1wfu s PRO 84 Cb -0.12 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1wfu s PRO 84 CO 0.19 -0.07 1.02 0.54 0.04 0.00 0.00 177.00 178.72 1wfu n ARG 85 N 1.25 -6.85 -4.76 4.56 5.12 -1.12 -4.96 116.66 109.89 1wfu n ARG 85 Ca 0.01 0.80 -0.27 0.00 -1.93 0.00 0.00 57.85 56.46 1wfu n ARG 85 Cb 0.43 -5.79 -0.14 0.00 -1.16 0.00 0.00 32.46 25.80 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 -3.28 1.83 0.12 0.55 2.01 -1.19 -4.91 115.64 110.77 1wfu s THR 86 Ca 0.54 -1.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1wfu s THR 86 Cb -0.24 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.63 1wfu s THR 86 CO 0.66 0.28 0.42 -0.22 -0.69 0.00 0.00 174.62 175.07 1wfu s LEU 87 N -1.15 4.30 -0.00 4.42 2.96 -1.26 -1.28 118.68 126.67 1wfu s LEU 87 Ca 0.09 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1wfu s LEU 87 Cb -0.09 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1wfu s LEU 87 CO 0.02 0.11 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.84 1wfu s TYR 88 N -1.52 0.09 -0.11 5.38 1.51 0.85 -4.93 117.35 118.63 1wfu s TYR 88 Ca 0.37 0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1wfu s TYR 88 Cb -0.13 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 1wfu s TYR 88 CO 0.20 -0.02 -0.03 0.15 -1.11 0.00 0.00 175.55 174.74 1wfu s LYS 89 N 0.16 3.18 0.01 -0.62 1.02 -1.26 -0.74 119.74 121.49 1wfu s LYS 89 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1wfu s LYS 89 Cb -0.03 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1wfu s LYS 89 CO -0.00 0.51 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.87 1wfu s PHE 90 N -0.38 0.12 -0.08 3.18 0.08 -1.15 -2.43 117.98 117.32 1wfu s PHE 90 Ca 0.06 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1wfu s PHE 90 Cb -0.12 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1wfu s PHE 90 CO 0.02 -0.08 -0.21 -0.98 -0.10 0.00 0.00 175.22 173.88 1wfu s ARG 91 N -0.62 2.57 -0.15 0.44 1.70 -0.99 -1.98 118.95 119.92 1wfu s ARG 91 Ca -0.07 -0.75 -0.13 0.00 -0.47 0.00 0.00 55.73 54.32 1wfu s ARG 91 Cb -0.04 -2.01 -0.05 0.00 -0.57 0.00 0.00 34.95 32.28 1wfu s ARG 91 CO -0.00 0.17 0.26 -1.17 -1.08 0.00 0.00 175.30 173.47 1wfu s LEU 92 N 0.35 4.26 0.04 -1.89 2.96 -1.26 -2.06 118.68 121.08 1wfu s LEU 92 Ca -0.15 0.49 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1wfu s LEU 92 Cb -0.17 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1wfu s LEU 92 CO 0.07 0.15 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.27 1wfu s LYS 93 N 0.26 1.95 -0.01 1.98 2.20 -0.64 0.16 119.74 125.64 1wfu s LYS 93 Ca 0.15 -1.04 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1wfu s LYS 93 Cb -0.13 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1wfu s LYS 93 CO 0.03 0.53 -0.08 0.14 -0.36 0.00 0.00 175.35 175.62 1wfu s VAL 94 N -0.86 0.63 -0.27 4.02 -7.23 -0.54 -1.81 120.40 114.35 1wfu s VAL 94 Ca 0.13 -0.32 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1wfu s VAL 94 Cb -0.10 -0.55 0.07 0.00 0.56 0.00 0.00 36.38 36.36 1wfu s VAL 94 CO 0.03 0.19 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.06 1wfu s THR 95 N -0.06 1.98 0.79 5.32 2.01 -1.12 -0.75 115.64 123.81 1wfu s THR 95 Ca 0.01 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.23 1wfu s THR 95 Cb -0.05 -2.20 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1wfu s THR 95 CO -0.00 -0.16 0.61 -1.54 -0.69 0.00 0.00 174.62 172.84 1wfu n SER 96 N 4.48 -1.01 0.00 3.53 3.41 0.32 -3.41 113.62 120.94 1wfu n SER 96 Ca -0.10 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.08 1wfu n SER 96 Cb 0.43 -1.26 0.26 0.00 -0.26 0.00 0.00 64.21 63.37 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1wfu n PRO 97 N -1.36 0.49 -0.07 4.33 -0.04 -1.26 -2.21 135.00 134.89 1wfu n PRO 97 Ca 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1wfu n PRO 97 Cb 0.51 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.78 0.98 0.00 3.54 7.64 -1.26 -5.01 113.62 118.73 1wfu n SER 98 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wfu n SER 98 Cb 0.03 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 1.90 1.19 3.80 0.23 0.00 -0.94 -5.14 105.19 106.24 1wfu n GLY 99 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1wfu n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfu s GLU 100 N 0.00 2.65 0.26 1.61 0.41 -1.26 -4.79 118.70 117.59 1wfu s GLU 100 Ca 0.00 0.98 -0.17 0.00 -0.41 0.00 0.00 54.97 55.37 1wfu s GLU 100 Cb 0.00 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.40 1wfu s GLU 100 CO 0.00 -1.31 0.60 1.52 -0.49 0.00 0.00 175.26 175.57 1wfu s TYR 101 N -3.01 0.09 0.27 1.61 1.13 -1.26 0.12 117.35 116.30 1wfu s TYR 101 Ca 0.59 -0.51 -0.21 0.00 -1.41 0.00 0.00 57.07 55.54 1wfu s TYR 101 Cb -0.15 0.45 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1wfu s TYR 101 CO 0.55 -1.12 0.70 -1.21 -2.51 0.00 0.00 175.55 171.96 1wfu s GLU 102 N -3.96 1.74 0.15 -3.49 0.41 0.07 -4.72 118.70 108.90 1wfu s GLU 102 Ca 0.17 -0.97 0.11 0.00 -0.41 0.00 0.00 54.97 53.87 1wfu s GLU 102 Cb -0.03 0.60 -0.04 0.00 -1.78 0.00 0.00 34.13 32.88 1wfu s GLU 102 CO 0.08 -0.79 -0.25 0.71 -0.49 0.00 0.00 175.26 174.52 1wfu s TYR 103 N -3.91 2.33 0.38 1.61 1.51 -1.26 -1.47 117.35 116.54 1wfu s TYR 103 Ca 0.11 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1wfu s TYR 103 Cb -0.05 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1wfu s TYR 103 CO 0.06 0.39 0.61 -1.54 -1.11 0.00 0.00 175.55 173.95 1wfu s SER 104 N -2.24 6.24 -0.08 2.29 1.04 0.42 -3.95 113.70 117.41 1wfu s SER 104 Ca 0.16 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.83 1wfu s SER 104 Cb -0.09 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1wfu s SER 104 CO 0.07 -0.39 1.51 -2.16 0.98 0.00 0.00 173.24 173.26 1wfu s PRO 105 N -4.43 4.21 0.00 4.02 0.04 -1.26 -4.42 135.00 133.16 1wfu s PRO 105 Ca 0.42 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 63.15 1wfu s PRO 105 Cb -0.10 -3.88 -0.16 0.00 0.04 0.00 0.00 34.50 30.40 1wfu s PRO 105 CO 0.38 -0.78 0.86 0.28 0.04 0.00 0.00 177.00 177.78 1wfu n VAL 106 N 5.37 0.03 -4.02 -0.36 0.31 -1.26 -4.75 118.33 113.64 1wfu n VAL 106 Ca 0.16 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 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 -0.01 2.18 -0.08 2.52 -7.23 -0.84 -4.95 120.40 111.99 1wfu s VAL 107 Ca 0.74 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 58.57 1wfu s VAL 107 Cb -1.03 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 1wfu s VAL 107 CO 0.46 -0.44 0.71 -0.94 -0.31 0.00 0.00 175.10 174.58 1wfu s SER 108 N 0.99 6.97 -0.00 4.85 1.04 -1.26 -2.93 113.70 123.36 1wfu s SER 108 Ca 0.05 1.16 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1wfu s SER 108 Cb -0.19 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1wfu s SER 108 CO -0.08 -0.15 -0.03 0.68 0.98 0.00 0.00 173.24 174.64 1wfu s VAL 109 N 1.00 0.24 -0.18 5.02 -7.23 0.08 -4.91 120.40 114.43 1wfu s VAL 109 Ca 0.37 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.34 1wfu s VAL 109 Cb -0.17 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 1wfu s VAL 109 CO 0.17 0.07 0.05 0.00 -0.31 0.00 0.00 175.10 175.08 1wfu s ALA 110 N -0.07 3.37 1.16 1.32 0.00 -1.26 -0.10 121.76 126.18 1wfu s ALA 110 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1wfu s ALA 110 Cb -0.01 -1.87 0.16 0.00 0.00 0.00 0.00 23.12 21.40 1wfu s ALA 110 CO -0.00 0.21 0.50 0.25 0.00 0.00 0.00 175.76 176.72 1wfu n THR 111 N 3.45 0.00 -2.96 0.00 -2.24 -0.40 -4.91 114.28 107.23 1wfu n THR 111 Ca -0.17 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.28 1wfu n THR 111 Cb 0.52 -0.90 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.83 2.90 0.47 4.28 -4.23 -1.22 -4.16 115.64 111.84 1wfu s THR 112 Ca 0.34 -0.95 -0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1wfu s THR 112 Cb -0.04 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 1wfu s THR 112 CO 0.27 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.36 1wfu s ARG 113 N -4.43 3.92 0.29 3.99 1.70 -1.26 -2.81 118.95 120.35 1wfu s ARG 113 Ca 0.56 1.26 0.00 0.00 -0.47 0.00 0.00 55.73 57.08 1wfu s ARG 113 Cb -0.10 -2.12 0.51 0.00 -0.57 0.00 0.00 34.95 32.67 1wfu s ARG 113 CO 0.34 -0.31 1.89 0.93 -1.08 0.00 0.00 175.30 177.07 1wfu h GLU 114 N 1.60 1.02 -5.40 3.89 5.08 -1.93 -3.43 114.58 115.42 1wfu h GLU 114 Ca -0.49 -0.06 -0.35 0.00 -1.00 0.00 0.00 59.36 57.46 1wfu h GLU 114 Cb 1.21 -0.23 0.14 0.00 0.50 0.00 0.00 28.75 30.36 1wfu h GLU 114 CO 0.60 0.68 -0.64 0.45 -1.00 0.00 0.00 179.01 179.09 1wfu n SER 115 N -4.51 -4.85 -3.06 1.42 2.88 -1.26 -4.96 113.62 99.28 1wfu n SER 115 Ca 0.15 -0.51 -0.16 0.00 -1.33 0.00 0.00 58.87 57.01 1wfu n SER 115 Cb 0.22 -4.66 -0.00 0.00 -0.75 0.00 0.00 64.21 59.02 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 -1.66 2.62 3.35 0.46 0.00 -1.26 -5.13 105.19 103.56 1wfu n GLY 116 Ca -0.07 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1wfu n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfu n PRO 117 N 0.53 -3.06 -3.60 1.61 -0.04 -1.26 -5.09 135.00 124.08 1wfu n PRO 117 Ca 0.19 -1.67 -0.06 0.00 -0.04 0.00 0.00 63.50 61.92 1wfu n PRO 117 Cb 0.65 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1wfu n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu s SER 118 N -4.32 -0.49 -0.30 3.54 0.15 -1.26 -5.12 113.70 105.90 1wfu s SER 118 Ca 0.68 1.07 -0.36 0.00 0.70 0.00 0.00 55.95 58.03 1wfu s SER 118 Cb -0.07 1.61 -0.16 0.00 -1.71 0.00 0.00 66.02 65.70 1wfu s SER 118 CO 0.52 -0.24 1.18 -0.24 1.20 0.00 0.00 173.24 175.67 1wfu n SER 119 N 5.41 0.74 0.00 5.45 2.88 -1.26 -5.34 113.62 121.49 1wfu n SER 119 Ca -0.09 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1wfu n SER 119 Cb 0.49 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42