#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 -0.50 0.10 1.61 1.04 -1.26 -5.19 113.70 109.51 1wfu s SER 2 Ca 0.00 0.51 -0.27 0.00 0.48 0.00 0.00 55.95 56.68 1wfu s SER 2 Cb 0.00 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.61 1wfu s SER 2 CO 0.00 -0.48 1.06 -0.55 0.98 0.00 0.00 173.24 174.25 1wfu s SER 3 N -1.23 -0.14 0.00 7.02 0.15 -1.26 -5.15 113.70 113.09 1wfu s SER 3 Ca -0.05 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wfu s SER 3 Cb -0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1wfu s SER 3 CO 0.04 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1wfu n GLY 4 N -0.48 2.60 2.25 9.45 0.00 -1.26 -5.05 105.19 112.70 1wfu n GLY 4 Ca -0.07 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1wfu n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfu n SER 5 N 0.00 4.30 -3.60 1.61 3.41 -1.26 -5.05 113.62 113.03 1wfu n SER 5 Ca 0.00 -3.48 -0.02 0.00 -0.26 0.00 0.00 58.87 55.12 1wfu n SER 5 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1wfu n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfu s SER 6 N -3.59 -0.08 0.00 4.04 1.04 -1.26 -5.18 113.70 108.67 1wfu s SER 6 Ca 0.46 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wfu s SER 6 Cb 0.40 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1wfu s SER 6 CO -0.02 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1wfu n GLY 7 N -0.58 1.20 3.61 7.32 0.00 -1.26 -5.15 105.19 110.33 1wfu n GLY 7 Ca -0.05 0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1wfu n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wfu s MET 8 N -0.17 3.97 -0.04 1.61 0.00 -1.26 -5.08 119.30 118.34 1wfu s MET 8 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 55.69 55.38 1wfu s MET 8 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 34.83 31.39 1wfu s MET 8 CO 0.00 0.03 -0.05 -1.21 0.00 0.00 0.00 175.02 173.79 1wfu s GLU 9 N 1.10 0.79 1.02 4.11 2.02 -1.26 -5.15 118.70 121.33 1wfu s GLU 9 Ca 0.06 -0.14 -0.13 0.00 0.02 0.00 0.00 54.97 54.78 1wfu s GLU 9 Cb -0.14 -0.78 0.20 0.00 0.10 0.00 0.00 34.13 33.51 1wfu s GLU 9 CO 0.04 -0.03 1.09 -1.25 0.02 0.00 0.00 175.26 175.14 1wfu s PRO 10 N 0.67 0.26 -0.20 0.39 0.04 -1.26 -5.06 135.00 129.84 1wfu s PRO 10 Ca -0.09 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1wfu s PRO 10 Cb -0.12 -1.72 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1wfu s PRO 10 CO 0.00 -2.84 -0.00 -3.38 0.04 0.00 0.00 177.00 170.83 1wfu s HIS 11 N -2.96 1.51 -1.41 0.56 -3.43 -1.26 -4.80 115.29 103.48 1wfu s HIS 11 Ca 0.66 -1.14 -0.10 0.00 -0.80 0.00 0.00 55.06 53.67 1wfu s HIS 11 Cb -0.19 -1.22 0.03 0.00 -1.43 0.00 0.00 32.58 29.78 1wfu s HIS 11 CO 0.58 -0.66 1.12 1.17 -2.00 0.00 0.00 174.74 174.95 1wfu n LYS 12 N 4.92 -7.22 -3.64 -0.38 4.81 -1.26 -4.97 118.16 110.41 1wfu n LYS 12 Ca -0.10 0.76 -0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1wfu n LYS 12 Cb 0.46 -5.76 -0.07 0.00 0.02 0.00 0.00 35.03 29.68 1wfu n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wfu s VAL 13 N -3.32 0.00 -0.34 3.15 0.11 -1.26 -5.14 120.40 113.60 1wfu s VAL 13 Ca 0.61 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1wfu s VAL 13 Cb -0.28 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1wfu s VAL 13 CO 0.76 0.00 0.11 0.54 -3.33 0.00 0.00 175.10 173.18 1wfu s VAL 14 N 0.84 3.80 0.93 2.04 0.11 -1.26 -4.70 120.40 122.15 1wfu s VAL 14 Ca -0.03 -1.15 -0.12 0.00 -2.93 0.00 0.00 61.98 57.75 1wfu s VAL 14 Cb -0.04 -3.16 0.15 0.00 -1.53 0.00 0.00 36.38 31.80 1wfu s VAL 14 CO -0.12 -0.20 1.09 -2.16 -3.33 0.00 0.00 175.10 170.39 1wfu s PRO 15 N 1.40 0.99 0.68 1.54 0.04 -1.26 -5.03 135.00 133.36 1wfu s PRO 15 Ca -0.01 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 1wfu s PRO 15 Cb -0.20 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wfu s PRO 15 CO 0.03 -2.40 1.06 -0.48 0.04 0.00 0.00 177.00 175.24 1wfu s LEU 16 N -6.30 3.11 1.18 -3.56 2.34 -1.26 -5.04 118.68 109.15 1wfu s LEU 16 Ca 0.64 1.52 -0.13 0.00 0.06 0.00 0.00 54.13 56.22 1wfu s LEU 16 Cb -0.18 -4.42 0.29 0.00 -0.56 0.00 0.00 46.19 41.31 1wfu s LEU 16 CO 0.57 -1.31 1.02 -0.44 -1.06 0.00 0.00 176.35 175.13 1wfu s SER 17 N -3.94 0.91 0.05 1.48 0.01 -1.26 -4.84 113.70 106.12 1wfu s SER 17 Ca 0.57 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 59.03 1wfu s SER 17 Cb -0.13 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1wfu s SER 17 CO 0.55 -4.23 0.64 -0.54 0.41 0.00 0.00 173.24 170.06 1wfu s LYS 18 N -4.53 4.34 0.87 12.44 1.02 -1.26 -4.69 119.74 127.92 1wfu s LYS 18 Ca 0.68 0.84 -0.11 0.00 0.02 0.00 0.00 55.97 57.40 1wfu s LYS 18 Cb -0.24 -3.30 0.11 0.00 -0.52 0.00 0.00 37.83 33.89 1wfu s LYS 18 CO 0.64 0.48 1.09 -1.25 -0.92 0.00 0.00 175.35 175.39 1wfu s PRO 19 N -0.63 1.49 0.21 -1.68 0.04 -1.26 -5.02 135.00 128.14 1wfu s PRO 19 Ca 0.32 0.90 0.04 0.00 0.04 0.00 0.00 61.00 62.30 1wfu s PRO 19 Cb -0.20 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1wfu s PRO 19 CO 0.20 -2.10 0.34 -1.01 0.04 0.00 0.00 177.00 174.47 1wfu s HIS 20 N -2.93 3.47 0.28 0.56 3.76 -1.26 -4.46 115.29 114.72 1wfu s HIS 20 Ca 0.63 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 55.31 1wfu s HIS 20 Cb -0.18 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.79 1wfu s HIS 20 CO 0.57 0.46 1.24 -1.25 -0.85 0.00 0.00 174.74 174.91 1wfu s PRO 21 N -3.67 4.45 0.33 8.40 0.04 -1.26 -4.83 135.00 138.45 1wfu s PRO 21 Ca 0.35 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 1wfu s PRO 21 Cb -0.10 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1wfu s PRO 21 CO 0.29 -0.08 1.22 -1.25 0.04 0.00 0.00 177.00 177.22 1wfu s PRO 22 N -1.29 4.37 0.34 0.56 0.04 -1.26 -4.97 135.00 132.80 1wfu s PRO 22 Ca 0.49 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 1wfu s PRO 22 Cb -0.37 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1wfu s PRO 22 CO 0.46 -0.11 0.75 0.08 0.04 0.00 0.00 177.00 178.22 1wfu s VAL 23 N -1.20 4.71 -0.41 -0.36 1.01 -1.02 -4.87 120.40 118.26 1wfu s VAL 23 Ca 0.49 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 1wfu s VAL 23 Cb -0.36 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1wfu s VAL 23 CO 0.47 -0.27 0.21 -0.69 0.00 0.00 0.00 175.10 174.81 1wfu s VAL 24 N -2.09 3.63 0.00 2.92 1.01 -1.26 -1.39 120.40 123.22 1wfu s VAL 24 Ca 0.53 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1wfu s VAL 24 Cb -0.10 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1wfu s VAL 24 CO 0.21 -0.58 0.02 0.61 0.00 0.00 0.00 175.10 175.37 1wfu n GLY 25 N 4.73 1.29 3.72 4.51 0.00 -1.20 -4.87 105.19 113.38 1wfu n GLY 25 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.05 4.47 -0.20 1.61 2.20 -1.26 -4.95 119.74 121.56 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 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1wfu s LYS 26 CO 0.00 0.09 -0.17 0.54 -0.36 0.00 0.00 175.35 175.45 1wfu s VAL 27 N 0.66 2.05 0.34 4.02 0.11 -1.26 -0.43 120.40 125.88 1wfu s VAL 27 Ca 0.40 -1.14 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1wfu s VAL 27 Cb -0.19 -1.96 -0.06 0.00 -1.53 0.00 0.00 36.38 32.64 1wfu s VAL 27 CO 0.21 0.35 -0.06 0.42 -3.33 0.00 0.00 175.10 172.69 1wfu s THR 28 N 1.25 2.44 -2.05 5.04 -4.23 -0.84 -4.70 115.64 112.55 1wfu s THR 28 Ca 0.01 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1wfu s THR 28 Cb -0.15 -2.69 0.34 0.00 1.34 0.00 0.00 72.50 71.34 1wfu s THR 28 CO -0.10 -0.22 1.43 0.00 -0.54 0.00 0.00 174.62 175.18 1wfu n HIS 29 N -0.85 0.10 0.00 3.99 1.44 -1.26 -3.35 115.22 115.29 1wfu n HIS 29 Ca -0.05 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1wfu n HIS 29 Cb 0.63 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.32 0.00 -3.82 -1.40 -0.00 -1.26 -3.24 115.22 105.18 1wfu n HIS 30 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.73 1wfu n HIS 30 Cb 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.14 1wfu n HIS 30 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1wfu n SER 31 N -1.11 -2.13 -3.72 4.39 7.64 -1.21 -0.83 113.62 116.65 1wfu n SER 31 Ca 0.00 -2.62 -0.15 0.00 1.01 0.00 0.00 58.87 57.12 1wfu n SER 31 Cb 0.00 3.58 -0.15 0.00 -1.01 0.00 0.00 64.21 66.64 1wfu n SER 31 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wfu s ILE 32 N -2.22 -0.13 0.18 0.44 1.01 -0.67 -1.99 121.20 117.81 1wfu s ILE 32 Ca 0.18 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.80 1wfu s ILE 32 Cb -0.04 -0.27 -0.08 0.00 0.01 0.00 0.00 42.46 42.08 1wfu s ILE 32 CO 0.13 0.10 0.85 -0.70 0.00 0.00 0.00 174.94 175.32 1wfu s GLU 33 N 1.60 4.68 -0.07 2.79 2.12 0.43 -0.75 118.70 129.49 1wfu s GLU 33 Ca -0.05 1.30 -0.04 0.00 0.36 0.00 0.00 54.97 56.54 1wfu s GLU 33 Cb -0.12 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.02 1wfu s GLU 33 CO -0.06 0.49 0.18 -0.51 -0.54 0.00 0.00 175.26 174.81 1wfu s LEU 34 N -0.94 0.86 -0.06 2.70 1.43 -0.94 -3.23 118.68 118.50 1wfu s LEU 34 Ca 0.39 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1wfu s LEU 34 Cb -0.24 0.52 0.04 0.00 0.03 0.00 0.00 46.19 46.53 1wfu s LEU 34 CO 0.28 -0.12 0.09 -0.72 0.23 0.00 0.00 176.35 176.11 1wfu s TYR 35 N 0.84 -0.00 -0.39 0.29 -0.85 -0.49 0.40 117.35 117.16 1wfu s TYR 35 Ca -0.06 0.34 0.05 0.00 -0.52 0.00 0.00 57.07 56.88 1wfu s TYR 35 Cb -0.08 -0.42 0.46 0.00 0.38 0.00 0.00 41.96 42.30 1wfu s TYR 35 CO -0.05 -0.22 1.44 -2.67 -1.52 0.00 0.00 175.55 172.54 1wfu n TRP 36 N 5.31 2.60 0.85 -3.49 2.14 0.70 -2.43 117.44 123.12 1wfu n TRP 36 Ca -0.04 -2.34 -0.01 0.00 2.07 0.00 0.00 57.50 57.19 1wfu n TRP 36 Cb 0.50 -0.64 0.02 0.00 -0.81 0.00 0.00 31.31 30.38 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 -0.83 2.38 -0.45 -0.67 -0.08 -1.26 -3.45 116.55 112.20 1wfu n ASP 37 Ca 0.47 -2.10 0.11 0.00 -1.51 0.00 0.00 54.79 51.77 1wfu n ASP 37 Cb 0.89 -0.52 0.04 0.00 2.34 0.00 0.00 41.12 43.87 1wfu n ASP 37 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wfu n LEU 38 N 0.25 1.87 -0.13 -2.67 7.99 -1.26 -3.95 117.00 119.10 1wfu n LEU 38 Ca 0.03 -0.69 -0.20 0.00 -0.01 0.00 0.00 56.01 55.14 1wfu n LEU 38 Cb 0.48 -0.02 -0.12 0.00 -0.11 0.00 0.00 43.42 43.66 1wfu n LEU 38 CO 0.04 0.35 -1.37 -0.62 -1.51 0.00 0.00 177.39 174.28 1wfu n GLU 39 N -0.15 0.63 -0.93 3.23 1.02 -1.22 -4.41 120.64 118.81 1wfu n GLU 39 Ca 0.09 0.17 -0.17 0.00 -0.02 0.00 0.00 57.16 57.23 1wfu n GLU 39 Cb 0.45 -1.51 0.14 0.00 -0.02 0.00 0.00 31.44 30.50 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfu n GLN 40 N -3.46 2.03 0.15 3.49 -0.00 -1.26 -4.57 117.38 113.77 1wfu n GLN 40 Ca -0.48 -2.30 -0.14 0.00 -0.00 0.00 0.00 57.00 54.08 1wfu n GLN 40 Cb 0.97 -1.91 -0.06 0.00 -0.00 0.00 0.00 30.24 29.23 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 0.85 -0.55 -6.10 2.61 1.79 -1.77 -3.44 116.57 109.97 1wfu h LYS 41 Ca 0.47 0.04 -0.35 0.00 -2.18 0.00 0.00 60.65 58.63 1wfu h LYS 41 Cb 2.40 0.12 0.18 0.00 -1.58 0.00 0.00 32.23 33.36 1wfu h LYS 41 CO 0.83 -0.36 -1.23 0.39 -1.08 0.00 0.00 179.45 177.99 1wfu n GLU 42 N -5.41 -1.13 -0.42 3.15 1.02 -1.26 -4.91 120.64 111.68 1wfu n GLU 42 Ca -0.08 -0.33 -0.27 0.00 -0.02 0.00 0.00 57.16 56.47 1wfu n GLU 42 Cb 0.31 -1.34 0.23 0.00 -0.02 0.00 0.00 31.44 30.62 1wfu n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wfu n LYS 43 N -0.14 -3.26 -3.58 3.49 5.02 -1.26 -4.94 118.16 113.48 1wfu n LYS 43 Ca 0.01 -0.96 -0.40 0.00 -2.02 0.00 0.00 58.31 54.95 1wfu n LYS 43 Cb 0.51 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1wfu n LYS 43 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wfu s ARG 44 N -4.24 2.99 0.04 1.97 1.81 -1.26 -5.05 118.95 115.20 1wfu s ARG 44 Ca 0.57 -2.60 -0.38 0.00 -1.72 0.00 0.00 55.73 51.59 1wfu s ARG 44 Cb -0.13 -3.98 -0.19 0.00 -0.45 0.00 0.00 34.95 30.20 1wfu s ARG 44 CO 0.53 -1.22 1.11 1.04 -0.68 0.00 0.00 175.30 176.08 1wfu n GLN 45 N 3.50 0.30 0.00 3.54 6.02 -1.26 -4.58 117.38 124.89 1wfu n GLN 45 Ca 0.11 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1wfu n GLN 45 Cb 0.41 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.77 0.46 0.00 1.08 0.00 -1.26 -4.51 105.19 102.74 1wfu n GLY 46 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1wfu n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfu n PRO 47 N -0.11 -0.26 0.25 1.61 -0.04 -1.26 -4.83 135.00 130.36 1wfu n PRO 47 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1wfu n PRO 47 Cb 0.00 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.04 1wfu n PRO 47 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wfu h GLN 48 N 0.00 0.00 0.00 0.54 4.15 -1.93 -2.67 115.11 115.20 1wfu h GLN 48 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1wfu h GLN 48 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1wfu h GLN 48 CO 0.00 0.11 -0.04 0.93 -1.93 0.00 0.00 178.83 177.90 1wfu h GLU 49 N 0.00 0.00 -0.95 1.69 3.07 -1.91 -1.92 114.58 114.56 1wfu h GLU 49 Ca -0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 1wfu h GLU 49 Cb 0.61 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.24 1wfu h GLU 49 CO 0.01 0.04 0.59 1.04 -1.40 0.00 0.00 179.01 179.29 1wfu n GLN 50 N -3.28 2.41 -3.86 2.33 3.00 -1.01 -4.96 117.38 112.02 1wfu n GLN 50 Ca -0.01 -3.03 -0.21 0.00 -0.01 0.00 0.00 57.00 53.74 1wfu n GLN 50 Cb 0.20 -2.17 -0.02 0.00 0.00 0.00 0.00 30.24 28.25 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wfu s TRP 51 N -3.26 3.22 0.25 1.08 0.52 -0.72 -4.70 118.94 115.32 1wfu s TRP 51 Ca 0.56 -0.13 -0.05 0.00 0.02 0.00 0.00 56.10 56.50 1wfu s TRP 51 Cb 0.47 -1.67 -0.06 0.00 -1.15 0.00 0.00 33.47 31.07 1wfu s TRP 51 CO 0.11 0.31 0.51 -0.51 0.02 0.00 0.00 176.95 177.39 1wfu s LEU 52 N -4.00 4.13 0.22 2.99 1.43 -1.26 -4.67 118.68 117.51 1wfu s LEU 52 Ca 0.37 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 1wfu s LEU 52 Cb -0.08 -3.50 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1wfu s LEU 52 CO 0.28 -0.12 0.58 -0.60 0.23 0.00 0.00 176.35 176.72 1wfu s ARG 53 N -3.25 3.89 -0.15 1.70 3.52 -1.21 -4.69 118.95 118.76 1wfu s ARG 53 Ca 0.44 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 56.41 1wfu s ARG 53 Cb -0.11 -2.70 0.05 0.00 -1.56 0.00 0.00 34.95 30.64 1wfu s ARG 53 CO 0.27 0.34 0.07 -0.06 -0.81 0.00 0.00 175.30 175.11 1wfu s PHE 54 N -1.74 0.42 -0.11 5.12 0.08 0.17 -3.22 117.98 118.71 1wfu s PHE 54 Ca 0.46 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.15 1wfu s PHE 54 Cb -0.12 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1wfu s PHE 54 CO 0.20 -0.48 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.18 1wfu s SER 55 N 2.06 4.17 -0.23 1.36 1.04 -0.94 -1.62 113.70 119.54 1wfu s SER 55 Ca 0.02 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1wfu s SER 55 Cb -0.15 -1.38 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 1wfu s SER 55 CO -0.08 0.23 0.03 -0.63 0.98 0.00 0.00 173.24 173.77 1wfu s ILE 56 N -0.06 4.00 0.46 -1.02 -1.09 0.10 -0.47 121.20 123.14 1wfu s ILE 56 Ca -0.02 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 1wfu s ILE 56 Cb -0.14 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1wfu s ILE 56 CO 0.04 0.38 0.15 -1.61 -1.23 0.00 0.00 174.94 172.66 1wfu s GLU 57 N 1.44 2.18 0.06 2.79 2.02 -0.74 -0.67 118.70 125.78 1wfu s GLU 57 Ca 0.05 -2.06 -0.18 0.00 0.02 0.00 0.00 54.97 52.81 1wfu s GLU 57 Cb -0.15 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.29 1wfu s GLU 57 CO 0.01 -0.26 0.41 -2.00 0.02 0.00 0.00 175.26 173.45 1wfu s GLU 58 N -3.93 0.94 0.47 1.61 2.56 -1.26 -1.65 118.70 117.45 1wfu s GLU 58 Ca 0.30 -0.42 -0.18 0.00 0.00 0.00 0.00 54.97 54.68 1wfu s GLU 58 Cb 0.03 0.42 -0.09 0.00 2.00 0.00 0.00 34.13 36.49 1wfu s GLU 58 CO 0.17 -0.33 0.95 -2.00 -0.56 0.00 0.00 175.26 173.49 1wfu s GLU 59 N -2.67 4.04 -0.24 4.30 2.12 -1.18 -3.07 118.70 122.00 1wfu s GLU 59 Ca -0.04 0.98 -0.03 0.00 0.36 0.00 0.00 54.97 56.24 1wfu s GLU 59 Cb -0.00 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.22 1wfu s GLU 59 CO -0.04 -0.16 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.97 1wfu s ASP 60 N -2.75 4.37 0.48 -1.70 1.01 0.12 -4.85 116.67 113.35 1wfu s ASP 60 Ca 0.59 -0.69 0.27 0.00 0.71 0.00 0.00 52.55 53.43 1wfu s ASP 60 Cb -0.10 -1.71 1.12 0.00 1.01 0.00 0.00 42.92 43.25 1wfu s ASP 60 CO 0.25 -0.10 1.91 1.55 0.21 0.00 0.00 175.17 178.99 1wfu h PRO 61 N 8.07 0.00 0.00 8.23 0.13 -1.96 1.83 132.00 148.29 1wfu h PRO 61 Ca -0.36 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 1wfu h PRO 61 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1wfu h PRO 61 CO 0.59 0.17 -2.19 0.36 -0.23 0.00 0.00 178.00 176.70 1wfu n LYS 62 N -3.39 0.67 0.00 0.86 2.85 -1.26 -4.33 118.16 113.57 1wfu n LYS 62 Ca -0.00 -0.04 0.08 0.00 -1.05 0.00 0.00 58.31 57.30 1wfu n LYS 62 Cb 0.37 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.63 1.62 -3.97 -1.58 2.81 -1.16 -4.97 117.12 107.24 1wfu n MET 63 Ca -0.23 -0.80 -0.32 0.00 -1.81 0.00 0.00 57.70 54.55 1wfu n MET 63 Cb 0.96 -1.30 -0.04 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.17 -1.54 -4.02 2.03 1.44 0.62 -4.88 115.22 108.71 1wfu n HIS 64 Ca 0.07 0.58 -0.10 0.00 -2.01 0.00 0.00 57.72 56.26 1wfu n HIS 64 Cb 0.35 -2.20 -0.07 0.00 0.12 0.00 0.00 29.99 28.19 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 -2.98 -0.01 0.27 4.39 0.15 -1.18 -4.88 113.70 109.45 1wfu s SER 65 Ca 0.62 -0.98 0.07 0.00 0.70 0.00 0.00 55.95 56.36 1wfu s SER 65 Cb -0.35 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1wfu s SER 65 CO 0.76 -1.00 0.20 -0.31 1.20 0.00 0.00 173.24 174.09 1wfu s TYR 66 N -4.02 3.05 0.00 3.44 1.51 -1.26 0.15 117.35 120.22 1wfu s TYR 66 Ca 0.23 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1wfu s TYR 66 Cb 0.02 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1wfu s TYR 66 CO 0.06 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 175.38 1wfu n GLY 67 N -1.20 4.07 3.07 0.71 0.00 -1.17 -4.99 105.19 105.68 1wfu n GLY 67 Ca -0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 1wfu n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wfu s VAL 68 N 2.92 -0.87 0.01 1.61 1.01 -1.26 -4.51 120.40 119.31 1wfu s VAL 68 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1wfu s VAL 68 Cb 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 36.38 35.18 1wfu s VAL 68 CO 0.00 -0.06 0.88 0.16 0.00 0.00 0.00 175.10 176.08 1wfu h ILE 69 N 6.06 1.18 -3.58 2.22 3.07 -1.22 -3.47 117.51 121.76 1wfu h ILE 69 Ca -0.16 -2.92 -0.17 0.00 1.55 0.00 0.00 64.86 63.16 1wfu h ILE 69 Cb 1.16 2.65 -0.23 0.00 -0.27 0.00 0.00 36.82 40.13 1wfu h ILE 69 CO 0.24 0.74 -0.57 -0.47 -1.05 0.00 0.00 178.15 177.04 1wfu s TYR 70 N -2.63 0.02 -0.26 0.16 5.04 -0.36 -5.00 117.35 114.33 1wfu s TYR 70 Ca -0.05 -0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1wfu s TYR 70 Cb 0.08 -0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.48 1wfu s TYR 70 CO 0.83 -0.18 0.32 -0.08 -1.34 0.00 0.00 175.55 175.10 1wfu s THR 71 N -0.85 -0.48 0.00 4.34 -1.32 -1.26 0.03 115.64 116.09 1wfu s THR 71 Ca -0.09 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1wfu s THR 71 Cb -0.05 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1wfu s THR 71 CO 0.01 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 1wfu n GLY 72 N 5.34 1.62 0.14 6.08 0.00 -0.64 -5.00 105.19 112.74 1wfu n GLY 72 Ca -0.03 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.65 1.61 4.02 -1.26 0.46 117.16 121.34 1wfu n TYR 73 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1wfu n TYR 73 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.50 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 -0.97 -2.06 -0.04 -0.72 0.00 -1.26 -4.77 120.51 110.68 1wfu n ALA 74 Ca 0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 52.67 1wfu n ALA 74 Cb 0.32 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 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 -4.33 0.53 -3.98 0.00 -2.24 -1.26 -4.79 114.28 98.21 1wfu n THR 75 Ca 0.07 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 1wfu n THR 75 Cb 0.54 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.53 3.27 -0.30 -0.78 3.52 -1.26 -0.22 118.95 120.65 1wfu s ARG 76 Ca -0.06 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 1wfu s ARG 76 Cb 0.05 -2.90 0.19 0.00 -1.56 0.00 0.00 34.95 30.74 1wfu s ARG 76 CO 0.52 0.54 0.72 -1.58 -0.81 0.00 0.00 175.30 174.70 1wfu s HIS 77 N -1.64 -1.32 -0.55 5.12 2.46 0.16 -4.97 115.29 114.55 1wfu s HIS 77 Ca 0.33 1.37 -0.18 0.00 0.47 0.00 0.00 55.06 57.06 1wfu s HIS 77 Cb -0.12 0.45 0.10 0.00 -0.13 0.00 0.00 32.58 32.89 1wfu s HIS 77 CO 0.27 -0.73 0.60 0.08 -2.47 0.00 0.00 174.74 172.49 1wfu s VAL 78 N 2.88 4.98 -0.35 0.89 1.01 -1.26 -2.23 120.40 126.33 1wfu s VAL 78 Ca 0.15 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 1wfu s VAL 78 Cb -0.13 -4.39 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 1wfu s VAL 78 CO -0.19 -0.96 2.32 0.52 0.00 0.00 0.00 175.10 176.79 1wfu n VAL 79 N 5.43 0.14 -2.20 2.92 0.31 0.07 -4.76 118.33 120.24 1wfu n VAL 79 Ca -0.11 -0.61 -0.26 0.00 -0.01 0.00 0.00 64.34 63.35 1wfu n VAL 79 Cb 0.42 -2.65 0.09 0.00 -0.91 0.00 0.00 33.84 30.79 1wfu n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfu s GLU 80 N 7.26 1.91 -0.58 5.55 2.02 -1.26 -1.66 118.70 131.94 1wfu s GLU 80 Ca 1.00 -0.37 -0.13 0.00 0.02 0.00 0.00 54.97 55.49 1wfu s GLU 80 Cb -0.28 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1wfu s GLU 80 CO 0.31 -1.44 0.64 0.41 0.02 0.00 0.00 175.26 175.21 1wfu n GLY 81 N -3.04 -1.07 3.18 -1.39 0.00 -1.13 -4.92 105.19 96.81 1wfu n GLY 81 Ca 0.10 0.93 -0.12 0.00 0.00 0.00 0.00 46.02 46.93 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 -3.29 2.48 0.14 0.99 1.43 -0.01 -4.98 118.68 115.44 1wfu s LEU 82 Ca 0.16 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1wfu s LEU 82 Cb -0.04 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 1wfu s LEU 82 CO 0.79 -0.39 0.29 -1.61 0.23 0.00 0.00 176.35 175.66 1wfu s GLU 83 N -3.52 3.46 0.40 1.70 0.41 -1.26 -4.30 118.70 115.59 1wfu s GLU 83 Ca 0.10 -0.49 -0.25 0.00 -0.41 0.00 0.00 54.97 53.92 1wfu s GLU 83 Cb 0.03 -2.95 -0.08 0.00 -1.78 0.00 0.00 34.13 29.34 1wfu s GLU 83 CO -0.03 0.52 1.19 -1.25 -0.49 0.00 0.00 175.26 175.20 1wfu s PRO 84 N -3.06 4.03 -1.32 0.39 0.04 -1.20 -3.59 135.00 130.29 1wfu s PRO 84 Ca 0.36 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 1wfu s PRO 84 Cb -0.12 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 1wfu s PRO 84 CO 0.28 -0.35 0.56 0.54 0.04 0.00 0.00 177.00 178.07 1wfu n ARG 85 N 0.07 -2.97 -4.11 4.56 5.12 -0.43 -4.96 116.66 113.94 1wfu n ARG 85 Ca 0.04 0.45 -0.21 0.00 -1.93 0.00 0.00 57.85 56.20 1wfu n ARG 85 Cb 0.46 -4.50 -0.17 0.00 -1.16 0.00 0.00 32.46 27.09 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 -3.78 0.56 0.36 0.55 2.01 -1.24 -4.90 115.64 109.21 1wfu s THR 86 Ca 0.13 -0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 1wfu s THR 86 Cb -0.05 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.77 1wfu s THR 86 CO 0.87 0.24 1.20 -0.22 -0.69 0.00 0.00 174.62 176.02 1wfu s LEU 87 N 1.10 4.31 -0.13 4.42 1.98 -1.26 -1.97 118.68 127.13 1wfu s LEU 87 Ca -0.08 2.44 -0.04 0.00 -2.89 0.00 0.00 54.13 53.56 1wfu s LEU 87 Cb -0.14 -3.85 0.05 0.00 0.66 0.00 0.00 46.19 42.91 1wfu s LEU 87 CO -0.01 -0.56 0.09 -0.31 -1.89 0.00 0.00 176.35 173.67 1wfu s TYR 88 N -1.29 0.11 0.00 5.38 2.02 0.74 -4.92 117.35 119.40 1wfu s TYR 88 Ca 0.53 -0.10 -0.20 0.00 -0.37 0.00 0.00 57.07 56.93 1wfu s TYR 88 Cb -0.34 -0.60 -0.06 0.00 -0.40 0.00 0.00 41.96 40.57 1wfu s TYR 88 CO 0.43 -0.42 0.58 0.15 -1.57 0.00 0.00 175.55 174.72 1wfu s LYS 89 N 2.16 4.28 -0.03 -0.62 1.02 -1.26 -1.20 119.74 124.09 1wfu s LYS 89 Ca 0.03 0.71 0.00 0.00 0.02 0.00 0.00 55.97 56.74 1wfu s LYS 89 Cb -0.15 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1wfu s LYS 89 CO -0.08 0.42 0.00 -0.06 -0.92 0.00 0.00 175.35 174.72 1wfu s PHE 90 N -0.35 0.31 -0.14 3.18 0.08 -1.08 -3.09 117.98 116.89 1wfu s PHE 90 Ca 0.30 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 1wfu s PHE 90 Cb -0.18 -0.42 -0.02 0.00 -0.57 0.00 0.00 43.02 41.83 1wfu s PHE 90 CO 0.17 -0.14 -0.11 -0.98 -0.10 0.00 0.00 175.22 174.07 1wfu s ARG 91 N 1.10 3.46 -0.12 0.44 1.70 -0.66 -1.39 118.95 123.49 1wfu s ARG 91 Ca -0.09 -0.64 -0.19 0.00 -0.47 0.00 0.00 55.73 54.34 1wfu s ARG 91 Cb -0.13 -2.71 -0.04 0.00 -0.57 0.00 0.00 34.95 31.50 1wfu s ARG 91 CO -0.02 0.22 0.53 -1.17 -1.08 0.00 0.00 175.30 173.78 1wfu s LEU 92 N 0.36 4.27 0.16 -1.89 2.96 -1.26 -1.79 118.68 121.49 1wfu s LEU 92 Ca -0.09 0.88 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1wfu s LEU 92 Cb -0.15 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1wfu s LEU 92 CO 0.05 -0.04 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.23 1wfu s LYS 93 N 0.77 2.24 -0.09 1.98 2.20 0.38 0.00 119.74 127.23 1wfu s LYS 93 Ca 0.28 -1.14 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 1wfu s LYS 93 Cb -0.16 -2.28 0.03 0.00 -1.51 0.00 0.00 37.83 33.91 1wfu s LYS 93 CO 0.12 0.46 0.23 0.14 -0.36 0.00 0.00 175.35 175.94 1wfu s VAL 94 N -1.62 -0.01 -0.16 4.02 -7.23 -1.03 -2.22 120.40 112.16 1wfu s VAL 94 Ca 0.25 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1wfu s VAL 94 Cb -0.09 -0.33 0.05 0.00 0.56 0.00 0.00 36.38 36.56 1wfu s VAL 94 CO 0.16 0.01 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.07 1wfu s THR 95 N 0.29 0.70 0.89 5.32 2.01 -1.20 -0.76 115.64 122.89 1wfu s THR 95 Ca -0.01 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 1wfu s THR 95 Cb -0.03 -1.02 0.10 0.00 0.01 0.00 0.00 72.50 71.56 1wfu s THR 95 CO -0.01 0.00 0.99 -1.20 -0.69 0.00 0.00 174.62 173.71 1wfu n SER 96 N 5.01 -0.01 0.00 3.53 7.64 0.22 -3.31 113.62 126.69 1wfu n SER 96 Ca -0.09 0.46 0.07 0.00 1.01 0.00 0.00 58.87 60.31 1wfu n SER 96 Cb 0.48 -1.42 0.42 0.00 -1.01 0.00 0.00 64.21 62.67 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wfu n PRO 97 N -3.34 0.49 -0.10 1.43 -0.04 -1.26 -2.39 135.00 129.79 1wfu n PRO 97 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1wfu n PRO 97 Cb 0.52 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.95 0.89 0.00 3.54 2.88 -1.26 -5.01 113.62 113.71 1wfu n SER 98 Ca 0.11 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wfu n SER 98 Cb 0.05 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 1.99 1.15 3.72 0.46 0.00 -1.01 -5.14 105.19 106.37 1wfu n GLY 99 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 2.15 -0.15 1.61 2.02 -1.26 -4.72 118.70 118.35 1wfu s GLU 100 Ca 0.00 1.88 -0.21 0.00 0.02 0.00 0.00 54.97 56.66 1wfu s GLU 100 Cb 0.00 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.46 1wfu s GLU 100 CO 0.00 -1.85 0.55 1.52 0.02 0.00 0.00 175.26 175.49 1wfu s TYR 101 N -1.79 -0.56 0.36 1.61 -0.85 -1.26 0.71 117.35 115.57 1wfu s TYR 101 Ca 0.77 1.26 0.03 0.00 -0.52 0.00 0.00 57.07 58.62 1wfu s TYR 101 Cb -0.32 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 1wfu s TYR 101 CO 0.44 -0.37 0.12 -1.21 -1.52 0.00 0.00 175.55 173.01 1wfu s GLU 102 N -0.22 1.77 -0.00 -3.49 0.41 0.06 -4.87 118.70 112.36 1wfu s GLU 102 Ca -0.04 -2.04 0.05 0.00 -0.41 0.00 0.00 54.97 52.53 1wfu s GLU 102 Cb -0.03 -0.55 -0.01 0.00 -1.78 0.00 0.00 34.13 31.76 1wfu s GLU 102 CO 0.03 -0.40 -0.15 0.71 -0.49 0.00 0.00 175.26 174.97 1wfu s TYR 103 N -3.34 1.33 0.40 1.61 2.02 -1.26 -2.48 117.35 115.63 1wfu s TYR 103 Ca 0.30 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1wfu s TYR 103 Cb 0.05 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1wfu s TYR 103 CO 0.15 -0.01 0.63 -1.54 -1.57 0.00 0.00 175.55 173.22 1wfu s SER 104 N -0.50 6.21 -0.22 2.29 1.04 0.10 -4.32 113.70 118.30 1wfu s SER 104 Ca 0.05 0.55 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 1wfu s SER 104 Cb -0.06 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1wfu s SER 104 CO -0.00 -0.44 1.62 -2.16 0.98 0.00 0.00 173.24 173.23 1wfu s PRO 105 N -4.47 3.79 0.19 4.02 0.04 -1.26 -4.40 135.00 132.91 1wfu s PRO 105 Ca 0.43 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1wfu s PRO 105 Cb -0.10 -4.04 -0.17 0.00 0.04 0.00 0.00 34.50 30.24 1wfu s PRO 105 CO 0.39 -1.30 0.65 1.55 0.04 0.00 0.00 177.00 178.32 1wfu n VAL 106 N 6.41 1.80 -4.00 -0.36 3.14 -1.26 -4.68 118.33 119.38 1wfu n VAL 106 Ca 0.19 -0.45 -0.31 0.00 -2.96 0.00 0.00 64.34 60.81 1wfu n VAL 106 Cb 0.45 -0.15 -0.15 0.00 -1.06 0.00 0.00 33.84 32.93 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 -0.90 2.08 -0.18 1.55 -7.23 -0.49 -4.90 120.40 110.33 1wfu s VAL 107 Ca 0.66 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1wfu s VAL 107 Cb -0.93 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1wfu s VAL 107 CO 0.56 -0.44 1.03 -0.94 -0.31 0.00 0.00 175.10 175.00 1wfu s SER 108 N 1.04 7.16 -0.07 4.85 1.04 -1.26 -2.63 113.70 123.83 1wfu s SER 108 Ca 0.05 1.44 0.01 0.00 0.48 0.00 0.00 55.95 57.93 1wfu s SER 108 Cb -0.19 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.40 1wfu s SER 108 CO -0.09 -0.59 -0.08 0.68 0.98 0.00 0.00 173.24 174.15 1wfu s VAL 109 N 2.75 0.85 -0.22 5.02 -7.23 -0.34 -4.88 120.40 116.35 1wfu s VAL 109 Ca 0.46 -0.27 -0.15 0.00 -1.81 0.00 0.00 61.98 60.20 1wfu s VAL 109 Cb -0.16 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1wfu s VAL 109 CO 0.11 0.31 0.37 0.00 -0.31 0.00 0.00 175.10 175.58 1wfu s ALA 110 N 1.05 3.57 1.41 1.32 0.00 -1.26 -0.18 121.76 127.66 1wfu s ALA 110 Ca -0.08 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1wfu s ALA 110 Cb -0.14 -2.62 0.35 0.00 0.00 0.00 0.00 23.12 20.71 1wfu s ALA 110 CO -0.01 -0.37 0.82 0.25 0.00 0.00 0.00 175.76 176.46 1wfu n THR 111 N 4.50 0.00 -2.63 0.00 -2.24 -0.83 -4.83 114.28 108.25 1wfu n THR 111 Ca -0.09 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 1wfu n THR 111 Cb 0.51 -0.93 0.11 0.00 -2.10 0.00 0.00 70.33 67.91 1wfu n THR 111 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfu s THR 112 N -2.13 2.12 -0.06 4.28 -4.23 -1.22 -3.77 115.64 110.64 1wfu s THR 112 Ca 0.64 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 1wfu s THR 112 Cb -0.13 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1wfu s THR 112 CO 0.55 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 175.01 1wfu s ARG 113 N -5.11 4.03 1.03 3.99 1.70 -1.26 -1.31 118.95 122.02 1wfu s ARG 113 Ca 0.66 0.33 -0.19 0.00 -0.47 0.00 0.00 55.73 56.06 1wfu s ARG 113 Cb -0.05 -3.30 -0.03 0.00 -0.57 0.00 0.00 34.95 31.00 1wfu s ARG 113 CO 0.44 0.52 -0.42 0.39 -1.08 0.00 0.00 175.30 175.14 1wfu n GLU 114 N 2.49 -0.62 -3.88 3.89 1.02 -1.26 -4.82 120.64 117.45 1wfu n GLU 114 Ca -0.13 -0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 56.58 1wfu n GLU 114 Cb 0.52 -1.44 -0.17 0.00 -0.02 0.00 0.00 31.44 30.33 1wfu n GLU 114 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfu s SER 115 N -1.53 2.27 0.00 1.62 0.01 -1.26 -5.10 113.70 109.71 1wfu s SER 115 Ca 0.48 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1wfu s SER 115 Cb -0.10 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1wfu s SER 115 CO 0.70 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.81 1wfu n GLY 116 N 4.95 -1.09 3.68 3.44 0.00 -1.26 -5.12 105.19 109.79 1wfu n GLY 116 Ca -0.12 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1wfu n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 117 N -1.56 4.24 -0.05 1.61 0.04 -1.26 -4.95 135.00 133.07 1wfu s PRO 117 Ca 0.00 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1wfu s PRO 117 Cb 0.00 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1wfu s PRO 117 CO 0.00 -0.69 0.43 0.77 0.04 0.00 0.00 177.00 177.54 1wfu h SER 118 N 8.45 -0.29 0.55 6.66 0.02 -2.02 -3.38 113.55 123.54 1wfu h SER 118 Ca -0.37 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 1wfu h SER 118 Cb 1.17 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.79 1wfu h SER 118 CO 0.93 0.11 -0.27 0.28 -1.14 0.00 0.00 176.83 176.75 1wfu h SER 119 N -0.98 -0.63 0.00 3.07 0.02 -2.08 -3.56 113.55 109.38 1wfu h SER 119 Ca -0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1wfu h SER 119 Cb 0.26 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1wfu h SER 119 CO 0.06 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.13