#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 7.45 -0.32 1.61 3.41 -1.26 -4.77 113.62 119.75 1wfu n SER 2 Ca 0.00 -3.80 0.13 0.00 -0.26 0.00 0.00 58.87 54.94 1wfu n SER 2 Cb 0.00 -0.95 0.25 0.00 -0.26 0.00 0.00 64.21 63.25 1wfu n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfu n SER 3 N -0.83 -0.13 -1.42 4.04 2.88 -1.26 -4.90 113.62 112.00 1wfu n SER 3 Ca 0.60 1.54 0.00 0.00 -1.33 0.00 0.00 58.87 59.68 1wfu n SER 3 Cb 0.60 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1wfu n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 4 N -1.47 -4.66 3.34 0.46 0.00 -1.26 -5.08 105.19 96.51 1wfu n GLY 4 Ca 0.21 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.50 -0.56 -0.09 1.61 0.15 -1.26 -5.17 113.70 106.88 1wfu s SER 5 Ca 0.00 0.67 -0.10 0.00 0.70 0.00 0.00 55.95 57.23 1wfu s SER 5 Cb 0.00 1.60 0.03 0.00 -1.71 0.00 0.00 66.02 65.93 1wfu s SER 5 CO 0.00 -0.11 0.27 -0.44 1.20 0.00 0.00 173.24 174.16 1wfu s SER 6 N 2.51 -0.27 0.00 5.45 0.01 -1.26 -5.16 113.70 114.99 1wfu s SER 6 Ca -0.01 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1wfu s SER 6 Cb -0.07 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1wfu s SER 6 CO -0.17 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1wfu n GLY 7 N 2.78 1.51 3.52 3.44 0.00 -1.26 -5.15 105.19 110.02 1wfu n GLY 7 Ca -0.14 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1wfu n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wfu s MET 8 N -2.00 3.26 -0.01 1.61 0.23 -1.26 -5.12 119.30 116.01 1wfu s MET 8 Ca 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 55.69 54.09 1wfu s MET 8 Cb 0.00 -2.75 -0.04 0.00 -1.53 0.00 0.00 34.83 30.51 1wfu s MET 8 CO 0.00 0.42 0.17 -1.21 -2.03 0.00 0.00 175.02 172.36 1wfu s GLU 9 N -0.13 3.39 1.04 3.16 2.02 -1.26 -5.10 118.70 121.82 1wfu s GLU 9 Ca 0.02 -0.34 -0.14 0.00 0.02 0.00 0.00 54.97 54.53 1wfu s GLU 9 Cb -0.13 -3.07 0.21 0.00 0.10 0.00 0.00 34.13 31.24 1wfu s GLU 9 CO 0.03 0.67 1.10 -1.25 0.02 0.00 0.00 175.26 175.83 1wfu s PRO 10 N -1.89 0.07 -0.24 0.39 0.04 -1.26 -5.03 135.00 127.08 1wfu s PRO 10 Ca 0.26 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 1wfu s PRO 10 Cb -0.13 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 1wfu s PRO 10 CO 0.18 -2.95 -0.34 -2.39 0.04 0.00 0.00 177.00 171.54 1wfu n HIS 11 N -4.30 0.05 0.00 0.56 1.44 -1.26 -4.92 115.22 106.78 1wfu n HIS 11 Ca 0.06 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1wfu n HIS 11 Cb 0.58 -0.84 0.00 0.00 0.12 0.00 0.00 29.99 29.84 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 -4.33 0.65 -2.41 -1.40 -0.00 -1.26 -5.09 118.16 104.32 1wfu n LYS 12 Ca -0.41 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.57 1wfu n LYS 12 Cb 0.76 -0.62 -0.03 0.00 -0.00 0.00 0.00 35.03 35.14 1wfu n LYS 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1wfu s VAL 13 N -1.25 3.99 -0.22 0.58 -7.23 -1.26 -5.05 120.40 109.96 1wfu s VAL 13 Ca 0.00 1.10 0.01 0.00 -1.81 0.00 0.00 61.98 61.28 1wfu s VAL 13 Cb 0.00 -3.49 0.03 0.00 0.56 0.00 0.00 36.38 33.48 1wfu s VAL 13 CO 0.00 -0.40 -0.14 0.54 -0.31 0.00 0.00 175.10 174.79 1wfu s VAL 14 N -2.25 2.33 0.93 1.32 0.11 -1.26 -4.72 120.40 116.86 1wfu s VAL 14 Ca 0.64 -1.14 -0.12 0.00 -2.93 0.00 0.00 61.98 58.44 1wfu s VAL 14 Cb -0.14 -2.15 0.15 0.00 -1.53 0.00 0.00 36.38 32.71 1wfu s VAL 14 CO 0.26 0.30 1.09 -2.16 -3.33 0.00 0.00 175.10 171.26 1wfu s PRO 15 N 1.25 0.99 0.20 1.54 0.04 -1.26 -5.04 135.00 132.72 1wfu s PRO 15 Ca -0.00 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 1wfu s PRO 15 Cb -0.16 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1wfu s PRO 15 CO -0.08 -2.40 0.42 -0.48 0.04 0.00 0.00 177.00 174.50 1wfu s LEU 16 N -6.30 4.20 0.33 -3.56 0.05 -1.26 -5.06 118.68 107.07 1wfu s LEU 16 Ca 0.64 0.53 -0.29 0.00 0.05 0.00 0.00 54.13 55.06 1wfu s LEU 16 Cb -0.18 -3.30 -0.10 0.00 -2.05 0.00 0.00 46.19 40.56 1wfu s LEU 16 CO 0.57 -0.05 1.25 -0.44 -0.55 0.00 0.00 176.35 177.13 1wfu s SER 17 N -2.95 6.86 0.27 1.48 0.01 -1.26 -4.86 113.70 113.26 1wfu s SER 17 Ca 0.40 2.56 -0.30 0.00 1.31 0.00 0.00 55.95 59.93 1wfu s SER 17 Cb -0.11 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.34 1wfu s SER 17 CO 0.28 -0.46 1.32 0.29 0.41 0.00 0.00 173.24 175.09 1wfu n LYS 18 N 0.83 1.96 -2.25 12.44 5.02 -1.26 -4.90 118.16 129.99 1wfu n LYS 18 Ca 0.00 0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 56.62 1wfu n LYS 18 Cb 0.43 -2.29 -0.01 0.00 -0.02 0.00 0.00 35.03 33.14 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 -0.96 3.67 0.58 1.97 0.04 -1.26 -4.99 135.00 134.04 1wfu s PRO 19 Ca 0.64 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 1wfu s PRO 19 Cb -0.64 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 1wfu s PRO 19 CO 0.55 -0.62 1.01 -1.01 0.04 0.00 0.00 177.00 176.96 1wfu s HIS 20 N -1.59 3.56 0.37 0.56 3.76 -1.26 -4.08 115.29 116.61 1wfu s HIS 20 Ca 0.66 1.34 -0.26 0.00 -0.15 0.00 0.00 55.06 56.64 1wfu s HIS 20 Cb -0.28 -2.73 -0.09 0.00 1.11 0.00 0.00 32.58 30.59 1wfu s HIS 20 CO 0.33 -0.56 1.20 -1.25 -0.85 0.00 0.00 174.74 173.61 1wfu s PRO 21 N -4.77 4.17 0.35 8.40 0.04 -1.26 -4.86 135.00 137.06 1wfu s PRO 21 Ca 0.56 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 63.26 1wfu s PRO 21 Cb -0.11 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 1wfu s PRO 21 CO 0.46 -0.25 1.21 -1.25 0.04 0.00 0.00 177.00 177.21 1wfu s PRO 22 N -2.10 4.30 0.39 0.56 0.04 -1.26 -4.98 135.00 131.95 1wfu s PRO 22 Ca 0.54 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 1wfu s PRO 22 Cb -0.33 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1wfu s PRO 22 CO 0.42 -0.15 0.82 0.08 0.04 0.00 0.00 177.00 178.21 1wfu s VAL 23 N -1.24 4.64 -0.39 -0.36 1.01 -0.90 -4.87 120.40 118.29 1wfu s VAL 23 Ca 0.51 0.99 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 1wfu s VAL 23 Cb -0.35 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wfu s VAL 23 CO 0.45 -0.37 0.19 -0.69 0.00 0.00 0.00 175.10 174.68 1wfu s VAL 24 N -2.21 3.52 0.00 2.92 1.01 -1.26 -1.87 120.40 122.50 1wfu s VAL 24 Ca 0.55 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1wfu s VAL 24 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wfu s VAL 24 CO 0.22 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1wfu n GLY 25 N 4.70 1.48 3.73 4.51 0.00 -1.21 -4.90 105.19 113.50 1wfu n GLY 25 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.40 -0.22 1.61 2.20 -1.26 -4.97 119.74 121.50 1wfu s LYS 26 Ca 0.00 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 1wfu s LYS 26 Cb 0.00 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1wfu s LYS 26 CO 0.00 0.17 -0.10 0.08 -0.36 0.00 0.00 175.35 175.14 1wfu s VAL 27 N 0.47 1.75 0.19 4.02 1.01 -1.26 -0.29 120.40 126.28 1wfu s VAL 27 Ca 0.34 -1.19 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1wfu s VAL 27 Cb -0.18 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wfu s VAL 27 CO 0.17 0.08 -0.13 0.42 0.00 0.00 0.00 175.10 175.63 1wfu s THR 28 N 1.33 2.96 -2.00 3.92 -4.23 -0.13 -4.66 115.64 112.83 1wfu s THR 28 Ca -0.04 -1.77 0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1wfu s THR 28 Cb -0.18 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.57 1wfu s THR 28 CO -0.07 -0.12 1.29 0.00 -0.54 0.00 0.00 174.62 175.18 1wfu n HIS 29 N 0.08 0.00 0.00 3.99 1.44 -1.26 -2.59 115.22 116.88 1wfu n HIS 29 Ca -0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1wfu n HIS 29 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.78 0.00 -3.74 -1.40 -0.00 -1.26 -2.86 115.22 105.19 1wfu n HIS 30 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.73 1wfu n HIS 30 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.01 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 -1.63 -0.34 -0.05 4.39 0.01 -1.07 -1.00 113.70 114.01 1wfu s SER 31 Ca 0.00 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1wfu s SER 31 Cb 0.00 0.69 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1wfu s SER 31 CO 0.00 -1.23 -0.12 -0.63 0.41 0.00 0.00 173.24 171.67 1wfu s ILE 32 N -3.85 1.06 -0.00 1.44 1.01 -0.63 -0.95 121.20 119.28 1wfu s ILE 32 Ca 0.08 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1wfu s ILE 32 Cb -0.05 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1wfu s ILE 32 CO 0.02 0.33 0.57 -0.70 0.00 0.00 0.00 174.94 175.16 1wfu s GLU 33 N 0.51 4.27 -0.02 2.79 2.12 0.60 -0.78 118.70 128.19 1wfu s GLU 33 Ca -0.11 0.69 -0.01 0.00 0.36 0.00 0.00 54.97 55.90 1wfu s GLU 33 Cb -0.14 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1wfu s GLU 33 CO 0.03 0.42 0.05 -0.51 -0.54 0.00 0.00 175.26 174.70 1wfu s LEU 34 N -0.33 1.51 -0.08 2.70 1.43 -0.79 -3.36 118.68 119.76 1wfu s LEU 34 Ca 0.30 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wfu s LEU 34 Cb -0.18 0.11 0.04 0.00 0.03 0.00 0.00 46.19 46.19 1wfu s LEU 34 CO 0.17 -0.06 0.17 -0.72 0.23 0.00 0.00 176.35 176.14 1wfu s TYR 35 N 0.44 -0.21 -0.30 0.29 -0.85 -0.78 0.21 117.35 116.15 1wfu s TYR 35 Ca -0.03 0.59 0.10 0.00 -0.52 0.00 0.00 57.07 57.20 1wfu s TYR 35 Cb -0.05 -0.10 0.46 0.00 0.38 0.00 0.00 41.96 42.66 1wfu s TYR 35 CO -0.01 -0.21 1.16 -2.67 -1.52 0.00 0.00 175.55 172.29 1wfu n TRP 36 N 4.52 2.52 0.90 -3.49 2.14 0.61 -2.12 117.44 122.51 1wfu n TRP 36 Ca -0.20 -2.32 0.01 0.00 2.07 0.00 0.00 57.50 57.05 1wfu n TRP 36 Cb 0.51 -0.29 0.03 0.00 -0.81 0.00 0.00 31.31 30.75 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 -0.65 1.32 0.01 -0.67 5.75 -1.26 -3.36 116.55 117.69 1wfu n ASP 37 Ca 0.36 -2.07 0.11 0.00 -0.01 0.00 0.00 54.79 53.18 1wfu n ASP 37 Cb 0.90 -0.49 0.12 0.00 -1.03 0.00 0.00 41.12 40.62 1wfu n ASP 37 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wfu n LEU 38 N 0.03 0.64 -0.04 -2.12 7.99 -1.26 -4.19 117.00 118.06 1wfu n LEU 38 Ca 0.02 -0.10 -0.02 0.00 -0.01 0.00 0.00 56.01 55.90 1wfu n LEU 38 Cb 0.31 -0.16 -0.01 0.00 -0.11 0.00 0.00 43.42 43.45 1wfu n LEU 38 CO 0.03 0.13 -0.19 -0.62 -1.51 0.00 0.00 177.39 175.22 1wfu n GLU 39 N -1.63 0.24 -0.64 3.23 -0.58 -1.21 -4.37 120.64 115.68 1wfu n GLU 39 Ca 0.04 0.38 -0.05 0.00 -0.42 0.00 0.00 57.16 57.12 1wfu n GLU 39 Cb 0.36 -1.23 -0.07 0.00 -0.57 0.00 0.00 31.44 29.93 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wfu n GLN 40 N -3.48 1.27 0.33 3.49 0.00 -1.26 -4.46 117.38 113.27 1wfu n GLN 40 Ca -0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 57.00 56.38 1wfu n GLN 40 Cb 0.14 -1.47 -0.09 0.00 0.00 0.00 0.00 30.24 28.82 1wfu n GLN 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1wfu h LYS 41 N 2.33 -0.77 -6.55 2.61 1.79 -1.76 -3.43 116.57 110.79 1wfu h LYS 41 Ca 0.08 0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 58.00 1wfu h LYS 41 Cb 1.08 0.18 0.10 0.00 -1.58 0.00 0.00 32.23 32.01 1wfu h LYS 41 CO 0.12 -0.50 0.34 -1.91 -1.08 0.00 0.00 179.45 176.42 1wfu n GLU 42 N -5.42 1.66 -0.55 3.15 4.07 -1.26 -4.94 120.64 117.35 1wfu n GLU 42 Ca -0.13 0.59 -0.29 0.00 -0.06 0.00 0.00 57.16 57.27 1wfu n GLU 42 Cb 0.33 -2.08 0.24 0.00 -0.06 0.00 0.00 31.44 29.87 1wfu n GLU 42 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1wfu s LYS 43 N -1.26 -0.75 0.35 5.31 -2.85 -1.26 -4.98 119.74 114.29 1wfu s LYS 43 Ca 0.61 0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 56.29 1wfu s LYS 43 Cb -0.68 -1.57 -0.10 0.00 -2.06 0.00 0.00 37.83 33.43 1wfu s LYS 43 CO 0.58 -3.64 0.89 -0.98 0.10 0.00 0.00 175.35 172.30 1wfu s ARG 44 N -4.48 4.33 -0.25 1.78 1.04 -1.26 -5.00 118.95 115.12 1wfu s ARG 44 Ca 0.68 1.11 -0.07 0.00 -1.04 0.00 0.00 55.73 56.41 1wfu s ARG 44 Cb -0.25 -2.53 -0.13 0.00 -2.04 0.00 0.00 34.95 30.00 1wfu s ARG 44 CO 0.64 0.16 -0.28 0.94 -0.04 0.00 0.00 175.30 176.72 1wfu n GLN 45 N 0.01 0.57 0.00 3.89 7.27 -1.26 -5.05 117.38 122.82 1wfu n GLN 45 Ca 0.03 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1wfu n GLN 45 Cb 0.52 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.73 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wfu n GLY 46 N 1.79 3.47 3.72 1.69 0.00 -1.26 -5.12 105.19 109.49 1wfu n GLY 46 Ca -0.47 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 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 2.60 1.23 0.33 1.61 0.04 -1.26 -4.91 135.00 134.65 1wfu s PRO 47 Ca 0.00 0.80 0.04 0.00 0.04 0.00 0.00 61.00 61.88 1wfu s PRO 47 Cb 0.00 -1.81 0.65 0.00 0.04 0.00 0.00 34.50 33.38 1wfu s PRO 47 CO 0.00 -2.26 1.91 0.37 0.04 0.00 0.00 177.00 177.07 1wfu h GLN 48 N -1.56 0.85 -1.02 4.56 4.15 -1.99 -0.76 115.11 119.34 1wfu h GLN 48 Ca -0.50 -0.05 0.30 0.00 0.77 0.00 0.00 58.65 59.17 1wfu h GLN 48 Cb 1.29 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1wfu h GLN 48 CO 0.55 0.56 0.75 0.93 -1.93 0.00 0.00 178.83 179.69 1wfu h GLU 49 N 0.88 0.00 -0.09 1.69 4.39 -2.02 0.33 114.58 119.76 1wfu h GLU 49 Ca 0.38 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.85 1wfu h GLU 49 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1wfu h GLU 49 CO -0.15 0.00 -0.88 1.96 -1.16 0.00 0.00 179.01 178.78 1wfu h GLN 50 N 0.00 0.73 -4.22 2.33 1.08 -1.48 -3.46 115.11 110.09 1wfu h GLN 50 Ca 0.49 -0.66 -0.45 0.00 -1.45 0.00 0.00 58.65 56.57 1wfu h GLN 50 Cb 1.98 0.16 0.10 0.00 -0.05 0.00 0.00 27.48 29.67 1wfu h GLN 50 CO -0.01 1.26 -0.55 0.91 -0.95 0.00 0.00 178.83 179.49 1wfu n TRP 51 N -3.89 -1.05 -1.67 2.96 7.02 0.12 -4.56 117.44 116.37 1wfu n TRP 51 Ca -0.08 0.53 -0.30 0.00 -1.02 0.00 0.00 57.50 56.63 1wfu n TRP 51 Cb 0.80 -1.30 0.08 0.00 -2.42 0.00 0.00 31.31 28.47 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 2.70 2.66 -0.09 -0.99 1.02 -1.26 -4.85 118.68 117.86 1wfu s LEU 52 Ca 0.43 1.21 -0.01 0.00 0.02 0.00 0.00 54.13 55.77 1wfu s LEU 52 Cb -0.53 -3.86 -0.03 0.00 0.02 0.00 0.00 46.19 41.79 1wfu s LEU 52 CO 0.42 -1.80 -0.02 -0.60 0.02 0.00 0.00 176.35 174.37 1wfu s ARG 53 N -5.25 3.02 -0.16 1.70 3.52 -1.24 -4.79 118.95 115.75 1wfu s ARG 53 Ca 0.60 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1wfu s ARG 53 Cb -0.13 -2.76 0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1wfu s ARG 53 CO 0.53 0.64 -0.17 -0.06 -0.81 0.00 0.00 175.30 175.43 1wfu s PHE 54 N -0.71 2.41 -0.09 5.12 0.08 -0.80 -2.71 117.98 121.29 1wfu s PHE 54 Ca 0.11 -1.39 0.04 0.00 0.12 0.00 0.00 56.93 55.82 1wfu s PHE 54 Cb -0.12 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1wfu s PHE 54 CO 0.02 -0.72 -0.24 -1.12 -0.10 0.00 0.00 175.22 173.06 1wfu s SER 55 N 1.40 3.05 -0.14 1.36 0.01 -0.94 -2.57 113.70 115.88 1wfu s SER 55 Ca 0.05 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 1wfu s SER 55 Cb -0.13 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 1wfu s SER 55 CO -0.11 0.17 -0.02 -0.63 0.41 0.00 0.00 173.24 173.05 1wfu s ILE 56 N 0.27 4.06 0.17 1.44 -1.09 -0.05 -0.87 121.20 125.13 1wfu s ILE 56 Ca -0.17 -0.31 0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1wfu s ILE 56 Cb -0.17 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 1wfu s ILE 56 CO 0.08 0.52 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.47 1wfu s GLU 57 N 0.03 1.43 -0.06 2.79 2.02 -0.85 -0.34 118.70 123.72 1wfu s GLU 57 Ca 0.01 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 53.60 1wfu s GLU 57 Cb -0.13 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.35 1wfu s GLU 57 CO 0.02 0.38 -0.21 -1.83 0.02 0.00 0.00 175.26 173.65 1wfu s GLU 58 N -2.53 2.28 0.44 1.61 4.04 -0.14 -1.12 118.70 123.27 1wfu s GLU 58 Ca 0.18 -0.75 -0.14 0.00 0.04 0.00 0.00 54.97 54.29 1wfu s GLU 58 Cb -0.08 -1.90 -0.08 0.00 0.02 0.00 0.00 34.13 32.09 1wfu s GLU 58 CO 0.08 0.27 0.86 -2.00 -1.84 0.00 0.00 175.26 172.64 1wfu s GLU 59 N 0.05 3.91 -0.16 -4.83 2.12 -1.11 -1.01 118.70 117.67 1wfu s GLU 59 Ca -0.07 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 55.98 1wfu s GLU 59 Cb -0.14 -2.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 1wfu s GLU 59 CO 0.04 -0.10 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.04 1wfu s ASP 60 N -2.94 4.07 0.42 -1.70 1.01 0.25 -4.66 116.67 113.12 1wfu s ASP 60 Ca 0.55 -0.35 0.21 0.00 0.71 0.00 0.00 52.55 53.67 1wfu s ASP 60 Cb -0.10 -1.64 0.90 0.00 1.01 0.00 0.00 42.92 43.08 1wfu s ASP 60 CO 0.28 0.11 1.84 1.55 0.21 0.00 0.00 175.17 179.16 1wfu h PRO 61 N 7.10 0.00 0.00 8.23 0.13 -1.96 1.00 132.00 146.50 1wfu h PRO 61 Ca -0.31 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.45 1wfu h PRO 61 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1wfu h PRO 61 CO 0.58 0.29 -2.39 0.36 -0.23 0.00 0.00 178.00 176.61 1wfu n LYS 62 N -3.62 0.68 -0.17 0.86 2.85 -1.26 -4.33 118.16 113.18 1wfu n LYS 62 Ca -0.01 0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.39 1wfu n LYS 62 Cb 0.42 -1.53 0.20 0.00 -0.65 0.00 0.00 35.03 33.47 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfu n MET 63 N -2.84 2.44 -2.78 -1.58 2.81 -1.21 -4.94 117.12 109.01 1wfu n MET 63 Ca -0.35 -2.22 -0.18 0.00 -1.81 0.00 0.00 57.70 53.15 1wfu n MET 63 Cb 1.13 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 32.12 1wfu n MET 63 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 1wfu n HIS 64 N 1.42 -0.72 -4.23 2.03 1.44 0.35 -4.81 115.22 110.70 1wfu n HIS 64 Ca 0.18 0.29 -0.13 0.00 -2.01 0.00 0.00 57.72 56.05 1wfu n HIS 64 Cb 0.59 -0.89 -0.10 0.00 0.12 0.00 0.00 29.99 29.71 1wfu n HIS 64 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wfu s SER 65 N -1.95 1.31 0.37 4.39 0.15 -1.21 -4.84 113.70 111.92 1wfu s SER 65 Ca 0.35 -1.12 0.07 0.00 0.70 0.00 0.00 55.95 55.95 1wfu s SER 65 Cb -0.20 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1wfu s SER 65 CO 0.43 -0.52 0.48 -0.31 1.20 0.00 0.00 173.24 174.52 1wfu s TYR 66 N -3.59 2.96 -0.27 3.44 1.51 -1.26 0.86 117.35 120.99 1wfu s TYR 66 Ca 0.21 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 1wfu s TYR 66 Cb 0.05 -2.12 0.09 0.00 -0.11 0.00 0.00 41.96 39.88 1wfu s TYR 66 CO 0.02 -0.14 0.64 0.20 -1.11 0.00 0.00 175.55 175.16 1wfu s GLY 67 N -4.21 -0.62 -0.47 0.71 0.00 -0.18 -4.88 107.32 97.67 1wfu s GLY 67 Ca 0.48 2.27 -0.27 0.00 0.00 0.00 0.00 44.72 47.21 1wfu s GLY 67 CO 0.31 2.51 2.40 -0.62 0.00 0.00 0.00 173.10 177.70 1wfu n VAL 68 N 4.65 -0.02 0.04 1.40 0.31 -1.26 -0.97 118.33 122.48 1wfu n VAL 68 Ca -0.18 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.29 1wfu n VAL 68 Cb 0.56 -2.69 -0.14 0.00 -0.91 0.00 0.00 33.84 30.66 1wfu n VAL 68 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1wfu h ILE 69 N 7.64 1.19 -3.87 2.52 3.07 -1.02 -3.47 117.51 123.57 1wfu h ILE 69 Ca -0.26 -2.89 -0.21 0.00 1.55 0.00 0.00 64.86 63.04 1wfu h ILE 69 Cb 1.27 2.70 -0.24 0.00 -0.27 0.00 0.00 36.82 40.28 1wfu h ILE 69 CO 1.14 0.79 -0.72 -0.47 -1.05 0.00 0.00 178.15 177.84 1wfu s TYR 70 N -2.63 0.20 -0.24 0.16 5.04 -0.94 -5.01 117.35 113.93 1wfu s TYR 70 Ca -0.06 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.26 1wfu s TYR 70 Cb 0.08 -0.14 0.13 0.00 0.35 0.00 0.00 41.96 42.38 1wfu s TYR 70 CO 0.84 -0.09 0.40 -0.08 -1.34 0.00 0.00 175.55 175.28 1wfu s THR 71 N -0.75 -0.64 0.00 4.34 -1.32 -1.26 -0.87 115.64 115.14 1wfu s THR 71 Ca -0.08 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1wfu s THR 71 Cb -0.05 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1wfu s THR 71 CO -0.00 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1wfu n GLY 72 N 5.37 1.71 0.64 6.08 0.00 -1.06 -5.02 105.19 112.90 1wfu n GLY 72 Ca -0.04 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 0.60 -2.65 1.61 4.02 -1.26 -1.90 117.16 117.58 1wfu n TYR 73 Ca 0.00 -1.04 -0.21 0.00 -0.01 0.00 0.00 57.90 56.63 1wfu n TYR 73 Cb 0.00 -0.28 0.04 0.00 -0.02 0.00 0.00 39.34 39.08 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 -2.92 3.84 -0.03 -0.72 0.00 -1.26 -4.94 121.76 115.73 1wfu s ALA 74 Ca 0.39 -1.28 0.11 0.00 0.00 0.00 0.00 51.96 51.19 1wfu s ALA 74 Cb 0.33 -2.11 -0.17 0.00 0.00 0.00 0.00 23.12 21.16 1wfu s ALA 74 CO 0.05 -0.74 0.23 0.25 0.00 0.00 0.00 175.76 175.54 1wfu n THR 75 N -2.35 0.09 -4.07 0.00 -2.24 -1.26 -4.78 114.28 99.67 1wfu n THR 75 Ca 0.07 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1wfu n THR 75 Cb 0.59 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.74 3.01 -0.30 -0.78 3.52 -1.26 -0.28 118.95 120.12 1wfu s ARG 76 Ca -0.04 -0.89 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 1wfu s ARG 76 Cb 0.07 -2.68 0.18 0.00 -1.56 0.00 0.00 34.95 30.96 1wfu s ARG 76 CO 0.47 0.46 0.74 -1.58 -0.81 0.00 0.00 175.30 174.58 1wfu s HIS 77 N -1.89 -1.25 -0.56 5.12 2.46 0.13 -4.97 115.29 114.33 1wfu s HIS 77 Ca 0.32 1.49 -0.15 0.00 0.47 0.00 0.00 55.06 57.19 1wfu s HIS 77 Cb -0.09 0.50 0.14 0.00 -0.13 0.00 0.00 32.58 32.99 1wfu s HIS 77 CO 0.25 -0.67 0.51 0.08 -2.47 0.00 0.00 174.74 172.44 1wfu s VAL 78 N 2.85 5.13 -0.30 0.89 1.01 -1.26 -1.89 120.40 126.83 1wfu s VAL 78 Ca 0.10 -1.64 -0.28 0.00 0.00 0.00 0.00 61.98 60.17 1wfu s VAL 78 Cb -0.13 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1wfu s VAL 78 CO -0.18 -0.88 2.28 0.52 0.00 0.00 0.00 175.10 176.84 1wfu n VAL 79 N 5.08 0.22 -2.55 2.92 0.31 0.04 -4.78 118.33 119.56 1wfu n VAL 79 Ca -0.11 -0.54 -0.25 0.00 -0.01 0.00 0.00 64.34 63.44 1wfu n VAL 79 Cb 0.41 -2.57 0.03 0.00 -0.91 0.00 0.00 33.84 30.81 1wfu n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfu s GLU 80 N 6.89 2.77 -0.62 5.55 2.02 -1.26 -1.61 118.70 132.44 1wfu s GLU 80 Ca 1.01 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 55.69 1wfu s GLU 80 Cb -0.33 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 1wfu s GLU 80 CO 0.34 -0.69 0.58 0.41 0.02 0.00 0.00 175.26 175.92 1wfu n GLY 81 N -2.47 -1.02 3.30 -1.39 0.00 -1.15 -4.96 105.19 97.51 1wfu n GLY 81 Ca 0.05 0.34 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.74 2.53 0.14 0.99 1.43 -0.17 -5.00 118.68 114.85 1wfu s LEU 82 Ca 0.04 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1wfu s LEU 82 Cb -0.01 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 1wfu s LEU 82 CO 0.60 -0.27 0.18 -1.61 0.23 0.00 0.00 176.35 175.48 1wfu s GLU 83 N -3.71 3.09 0.32 1.70 2.02 -1.26 -4.29 118.70 116.58 1wfu s GLU 83 Ca 0.20 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1wfu s GLU 83 Cb 0.01 -2.78 -0.10 0.00 0.10 0.00 0.00 34.13 31.36 1wfu s GLU 83 CO 0.04 0.52 1.22 -1.25 0.02 0.00 0.00 175.26 175.81 1wfu s PRO 84 N -3.00 4.44 -1.33 0.39 0.04 -1.13 -3.40 135.00 131.01 1wfu s PRO 84 Ca 0.32 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 1wfu s PRO 84 Cb -0.11 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1wfu s PRO 84 CO 0.25 -0.05 0.94 0.54 0.04 0.00 0.00 177.00 178.72 1wfu n ARG 85 N 0.90 -6.18 -4.62 4.56 5.12 -0.29 -4.95 116.66 111.20 1wfu n ARG 85 Ca -0.00 0.73 -0.24 0.00 -1.93 0.00 0.00 57.85 56.41 1wfu n ARG 85 Cb 0.43 -5.59 -0.16 0.00 -1.16 0.00 0.00 32.46 25.98 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 -3.44 1.14 0.25 0.55 2.01 -1.22 -4.91 115.64 110.02 1wfu s THR 86 Ca 0.24 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.45 1wfu s THR 86 Cb -0.11 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.31 1wfu s THR 86 CO 0.77 0.34 0.86 -0.22 -0.69 0.00 0.00 174.62 175.68 1wfu s LEU 87 N 0.24 4.44 -0.12 4.42 1.98 -1.26 -1.88 118.68 126.51 1wfu s LEU 87 Ca -0.06 1.71 -0.04 0.00 -2.89 0.00 0.00 54.13 52.86 1wfu s LEU 87 Cb -0.12 -3.70 0.05 0.00 0.66 0.00 0.00 46.19 43.08 1wfu s LEU 87 CO 0.02 0.05 0.10 -0.31 -1.89 0.00 0.00 176.35 174.31 1wfu s TYR 88 N -1.43 0.07 0.06 5.38 2.02 -0.16 -4.93 117.35 118.36 1wfu s TYR 88 Ca 0.44 0.03 -0.21 0.00 -0.37 0.00 0.00 57.07 56.97 1wfu s TYR 88 Cb -0.20 -0.55 -0.06 0.00 -0.40 0.00 0.00 41.96 40.75 1wfu s TYR 88 CO 0.25 -0.38 0.61 0.15 -1.57 0.00 0.00 175.55 174.61 1wfu s LYS 89 N 2.18 4.29 0.00 -0.62 1.02 -1.26 -1.79 119.74 123.57 1wfu s LYS 89 Ca 0.04 0.80 0.01 0.00 0.02 0.00 0.00 55.97 56.84 1wfu s LYS 89 Cb -0.14 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1wfu s LYS 89 CO -0.07 0.54 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.81 1wfu s PHE 90 N -0.81 0.26 -0.08 3.18 0.08 -0.96 -2.76 117.98 116.89 1wfu s PHE 90 Ca 0.31 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.27 1wfu s PHE 90 Cb -0.20 -0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 1wfu s PHE 90 CO 0.20 -0.03 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.11 1wfu s ARG 91 N -0.31 2.43 -0.14 0.44 1.70 -0.28 -0.01 118.95 122.78 1wfu s ARG 91 Ca -0.02 -0.70 -0.18 0.00 -0.47 0.00 0.00 55.73 54.37 1wfu s ARG 91 Cb -0.03 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.40 1wfu s ARG 91 CO -0.00 0.15 0.46 -1.17 -1.08 0.00 0.00 175.30 173.66 1wfu s LEU 92 N 0.39 4.24 0.15 -1.89 2.96 -1.26 -2.00 118.68 121.26 1wfu s LEU 92 Ca -0.15 0.74 0.10 0.00 -0.22 0.00 0.00 54.13 54.60 1wfu s LEU 92 Cb -0.16 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1wfu s LEU 92 CO 0.06 -0.03 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.10 1wfu s LYS 93 N 0.83 1.63 -0.07 1.98 2.20 -0.05 0.56 119.74 126.83 1wfu s LYS 93 Ca 0.24 -1.34 -0.07 0.00 -0.36 0.00 0.00 55.97 54.44 1wfu s LYS 93 Cb -0.15 -1.98 0.02 0.00 -1.51 0.00 0.00 37.83 34.21 1wfu s LYS 93 CO 0.09 0.44 0.20 0.14 -0.36 0.00 0.00 175.35 175.87 1wfu s VAL 94 N -1.34 0.01 -0.23 4.02 -7.23 -1.12 -2.21 120.40 112.30 1wfu s VAL 94 Ca 0.18 -0.08 -0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1wfu s VAL 94 Cb -0.09 -0.31 0.06 0.00 0.56 0.00 0.00 36.38 36.60 1wfu s VAL 94 CO 0.09 -0.04 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.94 1wfu s THR 95 N -0.07 1.20 0.79 5.32 2.01 -1.10 -1.31 115.64 122.48 1wfu s THR 95 Ca -0.02 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 60.77 1wfu s THR 95 Cb -0.02 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1wfu s THR 95 CO 0.01 -0.18 0.50 -1.54 -0.69 0.00 0.00 174.62 172.71 1wfu n SER 96 N 4.79 -1.42 0.00 3.53 3.41 0.34 -3.67 113.62 120.59 1wfu n SER 96 Ca -0.10 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 1wfu n SER 96 Cb 0.45 -1.22 0.31 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.01 0.49 -0.06 4.33 -0.04 -1.26 -2.27 135.00 135.17 1wfu n PRO 97 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1wfu n PRO 97 Cb 0.51 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1wfu n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu n SER 98 N -0.83 1.79 0.00 3.54 2.88 -1.26 -5.02 113.62 114.71 1wfu n SER 98 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wfu n SER 98 Cb 0.04 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 99 N 2.15 1.44 3.69 0.46 0.00 -0.96 -5.14 105.19 106.83 1wfu n GLY 99 Ca -0.19 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 0.62 -3.62 1.61 -0.58 -1.26 -4.69 120.64 112.72 1wfu n GLU 100 Ca 0.00 0.28 -0.15 0.00 -0.42 0.00 0.00 57.16 56.87 1wfu n GLU 100 Cb 0.00 -2.43 -0.07 0.00 -0.57 0.00 0.00 31.44 28.37 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 -1.76 -0.66 0.43 -0.32 1.13 -1.26 0.13 117.35 115.03 1wfu s TYR 101 Ca 0.77 1.48 0.04 0.00 -1.41 0.00 0.00 57.07 57.95 1wfu s TYR 101 Cb -0.34 0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1wfu s TYR 101 CO 0.46 -0.42 0.15 -1.21 -2.51 0.00 0.00 175.55 172.03 1wfu s GLU 102 N -0.19 2.00 0.00 -3.49 0.41 -0.43 -4.94 118.70 112.07 1wfu s GLU 102 Ca -0.04 -2.24 0.02 0.00 -0.41 0.00 0.00 54.97 52.30 1wfu s GLU 102 Cb -0.03 -0.53 -0.01 0.00 -1.78 0.00 0.00 34.13 31.78 1wfu s GLU 102 CO 0.04 -0.55 -0.08 0.71 -0.49 0.00 0.00 175.26 174.89 1wfu s TYR 103 N -3.17 0.68 0.37 1.61 2.02 -1.26 -2.81 117.35 114.79 1wfu s TYR 103 Ca 0.22 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1wfu s TYR 103 Cb 0.01 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.10 1wfu s TYR 103 CO 0.15 -0.02 0.60 -1.54 -1.57 0.00 0.00 175.55 173.18 1wfu s SER 104 N -0.42 6.31 -0.12 2.29 1.04 0.19 -4.26 113.70 118.73 1wfu s SER 104 Ca 0.01 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 1wfu s SER 104 Cb -0.04 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1wfu s SER 104 CO -0.00 -0.34 1.55 -2.16 0.98 0.00 0.00 173.24 173.27 1wfu s PRO 105 N -4.29 4.10 0.27 4.02 0.04 -1.26 -4.33 135.00 133.54 1wfu s PRO 105 Ca 0.42 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1wfu s PRO 105 Cb -0.10 -3.94 -0.16 0.00 0.04 0.00 0.00 34.50 30.33 1wfu s PRO 105 CO 0.37 -0.92 0.39 1.55 0.04 0.00 0.00 177.00 178.43 1wfu n VAL 106 N 5.68 1.56 -3.93 -0.36 3.14 -1.26 -4.72 118.33 118.44 1wfu n VAL 106 Ca 0.17 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.74 1wfu n VAL 106 Cb 0.44 -0.04 -0.15 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.23 1.73 -0.30 1.55 -7.23 0.98 -4.88 120.40 111.02 1wfu s VAL 107 Ca 0.62 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.73 1wfu s VAL 107 Cb -0.82 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1wfu s VAL 107 CO 0.58 -0.49 0.88 -0.94 -0.31 0.00 0.00 175.10 174.83 1wfu s SER 108 N 1.21 6.78 -0.06 4.85 1.04 -1.26 -2.27 113.70 123.99 1wfu s SER 108 Ca 0.06 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.36 1wfu s SER 108 Cb -0.19 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1wfu s SER 108 CO -0.12 -0.68 -0.09 0.68 0.98 0.00 0.00 173.24 174.01 1wfu s VAL 109 N 3.14 0.92 -0.15 5.02 -7.23 -0.74 -4.88 120.40 116.47 1wfu s VAL 109 Ca 0.37 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 1wfu s VAL 109 Cb -0.14 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1wfu s VAL 109 CO 0.12 0.31 0.21 0.00 -0.31 0.00 0.00 175.10 175.43 1wfu s ALA 110 N 0.81 3.69 1.15 1.32 0.00 -1.26 -0.99 121.76 126.48 1wfu s ALA 110 Ca -0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1wfu s ALA 110 Cb -0.15 -2.23 0.17 0.00 0.00 0.00 0.00 23.12 20.91 1wfu s ALA 110 CO 0.02 0.25 0.56 0.25 0.00 0.00 0.00 175.76 176.84 1wfu n THR 111 N 3.09 0.00 -2.80 0.00 -2.24 -0.78 -4.88 114.28 106.67 1wfu n THR 111 Ca -0.15 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1wfu n THR 111 Cb 0.53 -1.04 0.04 0.00 -2.10 0.00 0.00 70.33 67.76 1wfu n THR 111 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfu n THR 112 N -3.85 0.00 -3.73 4.28 -2.24 -1.26 -3.88 114.28 103.60 1wfu n THR 112 Ca 0.08 -0.90 -0.36 0.00 -2.27 0.00 0.00 64.05 60.61 1wfu n THR 112 Cb 0.31 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 1wfu n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfu s ARG 113 N -3.47 4.05 1.44 -0.78 1.70 -1.26 -1.14 118.95 119.50 1wfu s ARG 113 Ca 0.31 -0.15 -0.23 0.00 -0.47 0.00 0.00 55.73 55.19 1wfu s ARG 113 Cb -0.02 -3.37 0.37 0.00 -0.57 0.00 0.00 34.95 31.36 1wfu s ARG 113 CO 0.20 0.39 0.91 -1.83 -1.08 0.00 0.00 175.30 173.89 1wfu s GLU 114 N 0.08 -3.10 -0.16 3.89 4.04 -1.26 -4.88 118.70 117.31 1wfu s GLU 114 Ca 0.11 0.19 -0.02 0.00 0.04 0.00 0.00 54.97 55.29 1wfu s GLU 114 Cb -0.12 -1.35 -0.01 0.00 0.02 0.00 0.00 34.13 32.67 1wfu s GLU 114 CO 0.00 -5.00 -0.10 -1.54 -1.84 0.00 0.00 175.26 166.79 1wfu s SER 115 N -3.03 4.15 0.00 0.83 1.04 -1.26 -5.08 113.70 110.35 1wfu s SER 115 Ca 0.68 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1wfu s SER 115 Cb -0.14 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1wfu s SER 115 CO 0.58 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.51 1wfu n GLY 116 N 3.97 3.38 0.17 7.32 0.00 -1.26 -5.03 105.19 113.74 1wfu n GLY 116 Ca -0.18 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 -5.44 1.61 0.13 -2.07 -3.44 132.00 122.80 1wfu h PRO 117 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1wfu h PRO 117 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1wfu h PRO 117 CO 0.00 0.44 1.59 0.43 -0.23 0.00 0.00 178.00 180.24 1wfu n SER 118 N -3.89 0.81 0.00 1.44 7.64 -1.26 -4.63 113.62 113.73 1wfu n SER 118 Ca -0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1wfu n SER 118 Cb 0.48 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1wfu n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfu n SER 119 N 10.15 0.65 -0.52 6.43 7.64 -1.26 -5.13 113.62 131.57 1wfu n SER 119 Ca 0.58 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.59 1wfu n SER 119 Cb 0.08 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.77 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64