#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 1.44 -0.23 1.61 1.04 -1.26 -5.11 113.70 111.19 1wfu s SER 2 Ca 0.00 -1.29 -0.29 0.00 0.48 0.00 0.00 55.95 54.85 1wfu s SER 2 Cb 0.00 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1wfu s SER 2 CO 0.00 -0.62 1.29 -0.44 0.98 0.00 0.00 173.24 174.45 1wfu s SER 3 N -3.29 6.80 0.00 7.02 0.01 -1.26 -4.99 113.70 117.99 1wfu s SER 3 Ca 0.32 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1wfu s SER 3 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1wfu s SER 3 CO 0.10 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1wfu n GLY 4 N 3.98 0.64 3.39 3.44 0.00 -1.26 -5.15 105.19 110.23 1wfu n GLY 4 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.00 -0.27 -0.05 1.61 0.15 -1.26 -5.17 113.70 107.71 1wfu s SER 5 Ca 0.00 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.36 1wfu s SER 5 Cb 0.00 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1wfu s SER 5 CO 0.00 -0.92 -0.23 -0.44 1.20 0.00 0.00 173.24 172.84 1wfu s SER 6 N -2.82 2.86 0.00 5.45 0.01 -1.26 -5.08 113.70 112.85 1wfu s SER 6 Ca 0.05 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1wfu s SER 6 Cb 0.01 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1wfu s SER 6 CO -0.09 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1wfu n GLY 7 N 2.95 -0.59 3.57 3.44 0.00 -1.26 -5.16 105.19 108.14 1wfu n GLY 7 Ca -0.17 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 0.80 0.15 1.61 0.00 -1.26 -5.18 119.30 113.42 1wfu s MET 8 Ca 0.00 0.33 0.10 0.00 0.00 0.00 0.00 55.69 56.12 1wfu s MET 8 Cb 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.17 1wfu s MET 8 CO 0.00 -0.22 -0.22 -1.83 0.00 0.00 0.00 175.02 172.75 1wfu s GLU 9 N -0.85 1.60 0.86 4.11 -1.05 -1.26 -5.14 118.70 116.98 1wfu s GLU 9 Ca -0.05 -1.36 -0.11 0.00 -0.15 0.00 0.00 54.97 53.30 1wfu s GLU 9 Cb -0.01 -1.96 0.11 0.00 -0.44 0.00 0.00 34.13 31.82 1wfu s GLU 9 CO 0.04 0.44 1.09 -1.25 0.95 0.00 0.00 175.26 176.53 1wfu s PRO 10 N -2.37 1.55 0.00 -4.83 0.04 -1.26 -5.02 135.00 123.11 1wfu s PRO 10 Ca 0.18 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1wfu s PRO 10 Cb -0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1wfu s PRO 10 CO 0.09 -2.07 0.53 -2.39 0.04 0.00 0.00 177.00 173.20 1wfu n HIS 11 N -3.78 0.00 0.00 0.56 1.44 -1.26 -4.76 115.22 107.42 1wfu n HIS 11 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1wfu n HIS 11 Cb 0.55 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1wfu n HIS 11 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1wfu n LYS 12 N -0.65 0.44 -2.29 -1.40 2.85 -1.26 -5.03 118.16 110.82 1wfu n LYS 12 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1wfu n LYS 12 Cb 0.00 -0.99 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wfu s VAL 13 N -1.98 3.35 -0.14 0.58 1.01 -1.26 -5.03 120.40 116.93 1wfu s VAL 13 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1wfu s VAL 13 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1wfu s VAL 13 CO 0.00 0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.45 1wfu s VAL 14 N -0.02 2.84 0.93 2.92 1.01 -1.26 -4.58 120.40 122.24 1wfu s VAL 14 Ca 0.55 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1wfu s VAL 14 Cb -0.35 -2.19 0.15 0.00 0.00 0.00 0.00 36.38 33.98 1wfu s VAL 14 CO 0.38 0.52 1.09 -2.16 0.00 0.00 0.00 175.10 174.93 1wfu s PRO 15 N 0.61 0.99 0.76 2.72 0.04 -1.26 -5.05 135.00 133.81 1wfu s PRO 15 Ca -0.08 0.72 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 1wfu s PRO 15 Cb -0.16 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1wfu s PRO 15 CO 0.03 -2.40 1.12 -0.48 0.04 0.00 0.00 177.00 175.31 1wfu s LEU 16 N -6.30 2.66 0.13 -3.56 -0.00 -1.26 -4.97 118.68 105.38 1wfu s LEU 16 Ca 0.64 0.75 -0.34 0.00 -0.00 0.00 0.00 54.13 55.17 1wfu s LEU 16 Cb -0.18 -3.33 -0.14 0.00 -0.00 0.00 0.00 46.19 42.53 1wfu s LEU 16 CO 0.57 -1.72 1.55 -1.54 -0.00 0.00 0.00 176.35 175.21 1wfu n SER 17 N -3.15 2.83 -4.66 1.48 3.41 -1.26 -4.87 113.62 107.41 1wfu n SER 17 Ca 0.08 1.08 -0.44 0.00 -0.26 0.00 0.00 58.87 59.33 1wfu n SER 17 Cb 0.60 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1wfu n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wfu n LYS 18 N 3.47 1.91 -2.25 4.33 5.02 -1.26 -4.92 118.16 124.46 1wfu n LYS 18 Ca 0.18 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1wfu n LYS 18 Cb 0.27 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 32.99 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 -0.97 4.45 0.69 1.97 0.04 -1.26 -5.00 135.00 134.92 1wfu s PRO 19 Ca 0.64 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 1wfu s PRO 19 Cb -0.65 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 30.76 1wfu s PRO 19 CO 0.55 -0.09 1.07 -1.01 0.04 0.00 0.00 177.00 177.55 1wfu s HIS 20 N -0.80 3.00 0.37 0.56 3.76 -1.26 -3.80 115.29 117.12 1wfu s HIS 20 Ca 0.50 1.46 -0.27 0.00 -0.15 0.00 0.00 55.06 56.60 1wfu s HIS 20 Cb -0.37 -2.93 -0.09 0.00 1.11 0.00 0.00 32.58 30.31 1wfu s HIS 20 CO 0.46 -1.31 1.20 -1.25 -0.85 0.00 0.00 174.74 172.98 1wfu s PRO 21 N -4.88 4.21 0.45 8.40 0.04 -1.26 -4.82 135.00 137.14 1wfu s PRO 21 Ca 0.59 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 1wfu s PRO 21 Cb -0.15 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 1wfu s PRO 21 CO 0.53 -0.22 1.17 -1.25 0.04 0.00 0.00 177.00 177.26 1wfu s PRO 22 N -2.04 3.78 0.33 0.56 0.04 -1.26 -4.99 135.00 131.43 1wfu s PRO 22 Ca 0.53 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 1wfu s PRO 22 Cb -0.34 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1wfu s PRO 22 CO 0.43 -0.53 0.64 0.08 0.04 0.00 0.00 177.00 177.66 1wfu s VAL 23 N -1.53 4.92 -0.46 -0.36 1.01 -1.02 -4.90 120.40 118.06 1wfu s VAL 23 Ca 0.63 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1wfu s VAL 23 Cb -0.29 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1wfu s VAL 23 CO 0.35 -0.39 0.24 -0.69 0.00 0.00 0.00 175.10 174.61 1wfu s VAL 24 N -2.18 3.13 0.00 2.92 1.01 -1.26 -1.82 120.40 122.19 1wfu s VAL 24 Ca 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1wfu s VAL 24 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1wfu s VAL 24 CO 0.30 -0.73 0.15 0.61 0.00 0.00 0.00 175.10 175.43 1wfu n GLY 25 N 4.10 0.31 3.74 4.51 0.00 -1.24 -4.84 105.19 111.77 1wfu n GLY 25 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 4.32 -0.17 1.61 2.20 -1.26 -4.97 119.74 121.05 1wfu s LYS 26 Ca 0.00 0.55 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1wfu s LYS 26 Cb 0.00 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1wfu s LYS 26 CO 0.00 0.23 -0.15 0.54 -0.36 0.00 0.00 175.35 175.60 1wfu s VAL 27 N 0.36 1.74 0.24 4.02 0.11 -1.26 -0.19 120.40 125.41 1wfu s VAL 27 Ca 0.28 -0.78 0.11 0.00 -2.93 0.00 0.00 61.98 58.66 1wfu s VAL 27 Cb -0.16 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 1wfu s VAL 27 CO 0.13 0.45 -0.20 0.42 -3.33 0.00 0.00 175.10 172.57 1wfu s THR 28 N 1.41 2.26 -2.00 5.04 -4.23 -0.14 -4.65 115.64 113.33 1wfu s THR 28 Ca 0.04 -2.25 0.22 0.00 -1.18 0.00 0.00 61.69 58.53 1wfu s THR 28 Cb -0.13 -2.17 0.64 0.00 1.34 0.00 0.00 72.50 72.17 1wfu s THR 28 CO -0.11 -0.36 1.74 0.00 -0.54 0.00 0.00 174.62 175.35 1wfu n HIS 29 N -0.29 0.00 -0.01 3.99 1.44 -1.26 -2.95 115.22 116.14 1wfu n HIS 29 Ca -0.08 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1wfu n HIS 29 Cb 0.59 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.68 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 -0.94 0.00 -3.94 -1.40 -0.00 -1.26 -3.20 115.22 104.47 1wfu n HIS 30 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.80 1wfu n HIS 30 Cb 0.08 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfu s SER 31 N -2.98 -0.10 -0.05 4.39 1.04 -1.15 -0.82 113.70 114.03 1wfu s SER 31 Ca -0.01 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1wfu s SER 31 Cb 0.01 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1wfu s SER 31 CO 0.11 -1.26 -0.07 -0.63 0.98 0.00 0.00 173.24 172.38 1wfu s ILE 32 N -3.84 0.71 0.20 -1.02 1.01 -0.57 -0.97 121.20 116.72 1wfu s ILE 32 Ca 0.18 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 1wfu s ILE 32 Cb -0.03 -0.69 -0.08 0.00 0.01 0.00 0.00 42.46 41.67 1wfu s ILE 32 CO 0.09 0.26 0.78 -0.70 0.00 0.00 0.00 174.94 175.37 1wfu s GLU 33 N 0.74 4.49 -0.08 2.79 2.12 0.74 -0.85 118.70 128.65 1wfu s GLU 33 Ca -0.12 1.10 -0.04 0.00 0.36 0.00 0.00 54.97 56.28 1wfu s GLU 33 Cb -0.14 -3.12 0.04 0.00 0.26 0.00 0.00 34.13 31.17 1wfu s GLU 33 CO 0.01 0.50 0.18 -0.51 -0.54 0.00 0.00 175.26 174.90 1wfu s LEU 34 N -1.45 0.68 -0.04 2.70 1.43 0.90 -3.65 118.68 119.26 1wfu s LEU 34 Ca 0.39 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1wfu s LEU 34 Cb -0.21 0.48 0.03 0.00 0.03 0.00 0.00 46.19 46.52 1wfu s LEU 34 CO 0.25 -0.15 0.07 -0.72 0.23 0.00 0.00 176.35 176.03 1wfu s TYR 35 N 1.12 0.01 -0.23 0.29 -0.85 -0.76 0.12 117.35 117.05 1wfu s TYR 35 Ca -0.09 0.28 0.12 0.00 -0.52 0.00 0.00 57.07 56.86 1wfu s TYR 35 Cb -0.10 -0.35 0.45 0.00 0.38 0.00 0.00 41.96 42.33 1wfu s TYR 35 CO -0.06 -0.17 1.19 -2.67 -1.52 0.00 0.00 175.55 172.32 1wfu n TRP 36 N 4.89 1.22 1.42 -3.49 2.14 -0.89 -2.43 117.44 120.30 1wfu n TRP 36 Ca -0.12 -1.75 0.01 0.00 2.07 0.00 0.00 57.50 57.70 1wfu n TRP 36 Cb 0.50 -0.28 0.05 0.00 -0.81 0.00 0.00 31.31 30.77 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 -0.76 0.00 0.04 -0.67 5.75 -1.26 -3.23 116.55 116.43 1wfu n ASP 37 Ca 0.27 -1.37 -0.09 0.00 -0.01 0.00 0.00 54.79 53.59 1wfu n ASP 37 Cb 0.86 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.99 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 0.00 0.49 0.00 -2.12 3.38 -1.97 -3.36 115.31 111.73 1wfu h LEU 38 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wfu h LEU 38 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1wfu h LEU 38 CO 0.00 1.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.93 1wfu n GLU 39 N -3.87 0.00 -1.79 1.13 1.02 -1.20 -4.60 120.64 111.32 1wfu n GLU 39 Ca -0.04 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 1wfu n GLU 39 Cb 0.67 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 1wfu n GLU 39 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1wfu s GLN 40 N -2.13 3.21 0.00 3.49 0.00 -1.26 -4.73 119.66 118.24 1wfu s GLN 40 Ca 0.00 1.73 0.00 0.00 -0.00 0.00 0.00 55.36 57.09 1wfu s GLN 40 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 33.01 28.72 1wfu s GLN 40 CO 0.00 -2.01 0.00 1.63 0.00 0.00 0.00 175.29 174.91 1wfu n LYS 41 N 8.61 0.00 -1.53 9.60 5.02 -1.26 -4.91 118.16 133.69 1wfu n LYS 41 Ca 0.27 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.15 1wfu n LYS 41 Cb 0.46 -0.67 0.02 0.00 -0.02 0.00 0.00 35.03 34.82 1wfu n LYS 41 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wfu n GLU 42 N -2.60 0.90 -2.24 1.97 2.13 -1.26 -4.86 120.64 114.68 1wfu n GLU 42 Ca 0.00 0.33 -0.43 0.00 0.66 0.00 0.00 57.16 57.72 1wfu n GLU 42 Cb 0.41 -1.80 -0.02 0.00 0.27 0.00 0.00 31.44 30.29 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 -1.92 4.13 -1.12 5.31 -2.85 -1.26 -4.90 119.74 117.13 1wfu s LYS 43 Ca 0.65 1.82 -0.24 0.00 -1.00 0.00 0.00 55.97 57.19 1wfu s LYS 43 Cb -0.55 -3.89 -0.14 0.00 -2.06 0.00 0.00 37.83 31.19 1wfu s LYS 43 CO 0.56 -0.86 2.02 1.03 0.10 0.00 0.00 175.35 178.20 1wfu s ARG 44 N 3.89 1.93 -0.14 1.78 0.52 -1.26 -4.66 118.95 121.00 1wfu s ARG 44 Ca 0.63 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.81 1wfu s ARG 44 Cb -0.26 -5.12 -0.22 0.00 0.52 0.00 0.00 34.95 29.87 1wfu s ARG 44 CO 0.22 -4.60 0.64 0.37 0.02 0.00 0.00 175.30 171.95 1wfu h GLN 45 N 10.64 0.00 0.00 3.54 4.15 -1.98 -3.47 115.11 127.99 1wfu h GLN 45 Ca 0.12 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 1wfu h GLN 45 Cb 0.97 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.75 1wfu h GLN 45 CO 1.13 0.87 -0.08 0.41 -1.93 0.00 0.00 178.83 179.23 1wfu n GLY 46 N 1.62 -3.08 3.77 2.39 0.00 -1.26 -4.94 105.19 103.70 1wfu n GLY 46 Ca -0.10 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.53 3.43 0.31 1.61 0.04 -1.26 -4.90 135.00 130.70 1wfu s PRO 47 Ca 0.30 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1wfu s PRO 47 Cb -0.05 -2.08 0.87 0.00 0.04 0.00 0.00 34.50 33.28 1wfu s PRO 47 CO 0.25 -0.79 1.70 0.37 0.04 0.00 0.00 177.00 178.56 1wfu h GLN 48 N 1.35 0.42 -0.86 4.56 4.15 -1.94 0.56 115.11 123.35 1wfu h GLN 48 Ca -0.50 -0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.12 1wfu h GLN 48 Cb 1.26 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 1wfu h GLN 48 CO 0.57 0.28 0.59 0.93 -1.93 0.00 0.00 178.83 179.27 1wfu h GLU 49 N 0.43 0.19 -1.00 1.69 5.08 -2.03 0.22 114.58 119.17 1wfu h GLU 49 Ca 0.63 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.89 1wfu h GLU 49 Cb 1.28 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1wfu h GLU 49 CO -0.54 0.13 0.12 0.94 -1.00 0.00 0.00 179.01 178.66 1wfu n GLN 50 N -4.40 1.23 -4.01 2.33 0.00 0.20 -4.86 117.38 107.87 1wfu n GLN 50 Ca 0.18 -0.55 -0.21 0.00 -0.00 0.00 0.00 57.00 56.41 1wfu n GLN 50 Cb 0.80 -1.22 -0.03 0.00 0.00 0.00 0.00 30.24 29.78 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 -0.61 3.19 0.25 3.69 0.52 0.79 -4.93 118.94 121.83 1wfu s TRP 51 Ca 0.10 -0.11 -0.16 0.00 0.02 0.00 0.00 56.10 55.95 1wfu s TRP 51 Cb 0.09 -1.51 -0.08 0.00 -1.15 0.00 0.00 33.47 30.81 1wfu s TRP 51 CO 0.02 0.44 0.68 -0.51 0.02 0.00 0.00 176.95 177.60 1wfu s LEU 52 N -3.91 4.23 -0.01 2.99 1.43 -1.26 -4.57 118.68 117.58 1wfu s LEU 52 Ca 0.35 1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 54.69 1wfu s LEU 52 Cb -0.08 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1wfu s LEU 52 CO 0.27 -0.05 0.17 -0.60 0.23 0.00 0.00 176.35 176.37 1wfu s ARG 53 N -2.40 3.41 -0.11 1.70 3.52 -1.23 -4.74 118.95 119.09 1wfu s ARG 53 Ca 0.46 -0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.71 1wfu s ARG 53 Cb -0.14 -3.08 0.04 0.00 -1.56 0.00 0.00 34.95 30.21 1wfu s ARG 53 CO 0.19 0.67 0.02 -0.06 -0.81 0.00 0.00 175.30 175.31 1wfu s PHE 54 N -1.32 0.73 -0.14 5.12 0.08 -0.81 -2.94 117.98 118.70 1wfu s PHE 54 Ca 0.27 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.98 1wfu s PHE 54 Cb -0.13 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1wfu s PHE 54 CO 0.18 -0.42 -0.21 -1.12 -0.10 0.00 0.00 175.22 173.56 1wfu s SER 55 N 1.95 3.22 -0.03 1.36 0.01 -0.83 -2.61 113.70 116.78 1wfu s SER 55 Ca 0.03 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 1wfu s SER 55 Cb -0.14 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1wfu s SER 55 CO -0.06 0.08 0.19 -0.63 0.41 0.00 0.00 173.24 173.23 1wfu s ILE 56 N 0.81 5.43 0.02 1.44 -1.09 -0.10 -1.03 121.20 126.68 1wfu s ILE 56 Ca -0.07 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.33 1wfu s ILE 56 Cb -0.16 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1wfu s ILE 56 CO -0.01 0.39 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.43 1wfu s GLU 57 N -1.72 0.40 -0.02 2.79 2.02 -1.03 -2.00 118.70 119.14 1wfu s GLU 57 Ca 0.25 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.76 1wfu s GLU 57 Cb -0.13 -0.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 1wfu s GLU 57 CO 0.15 0.03 -0.20 -1.83 0.02 0.00 0.00 175.26 173.44 1wfu s GLU 58 N -1.10 1.70 0.14 1.61 -1.05 -0.71 -1.33 118.70 117.96 1wfu s GLU 58 Ca -0.08 -0.71 -0.18 0.00 -0.15 0.00 0.00 54.97 53.86 1wfu s GLU 58 Cb -0.07 -1.60 -0.07 0.00 -0.44 0.00 0.00 34.13 31.95 1wfu s GLU 58 CO -0.00 0.39 0.61 -2.00 0.95 0.00 0.00 175.26 175.21 1wfu s GLU 59 N -0.36 4.14 -0.19 -4.83 2.12 -1.20 -1.37 118.70 117.01 1wfu s GLU 59 Ca 0.05 0.68 -0.08 0.00 0.36 0.00 0.00 54.97 55.99 1wfu s GLU 59 Cb -0.09 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1wfu s GLU 59 CO 0.00 0.51 0.07 -0.51 -0.54 0.00 0.00 175.26 174.79 1wfu s ASP 60 N -1.49 5.69 0.52 -1.70 1.01 0.15 -4.74 116.67 116.11 1wfu s ASP 60 Ca 0.36 0.09 0.33 0.00 0.71 0.00 0.00 52.55 54.05 1wfu s ASP 60 Cb -0.17 -1.98 1.37 0.00 1.01 0.00 0.00 42.92 43.15 1wfu s ASP 60 CO 0.20 0.17 1.97 1.55 0.21 0.00 0.00 175.17 179.27 1wfu h PRO 61 N 6.72 0.00 0.01 8.23 0.13 -1.96 1.09 132.00 146.22 1wfu h PRO 61 Ca -0.37 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.38 1wfu h PRO 61 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1wfu h PRO 61 CO 0.71 0.00 -2.38 0.36 -0.23 0.00 0.00 178.00 176.46 1wfu n LYS 62 N -3.00 0.67 -0.12 0.86 2.85 -1.26 -4.35 118.16 113.81 1wfu n LYS 62 Ca 0.01 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.49 1wfu n LYS 62 Cb 0.29 -1.55 0.17 0.00 -0.65 0.00 0.00 35.03 33.29 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 -3.08 2.45 -2.70 -1.58 2.81 -1.19 -4.94 117.12 108.89 1wfu n MET 63 Ca -0.39 -2.17 -0.14 0.00 -1.81 0.00 0.00 57.70 53.19 1wfu n MET 63 Cb 1.06 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 32.04 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 1.46 -1.15 -4.25 2.03 1.44 0.38 -4.83 115.22 110.29 1wfu n HIS 64 Ca 0.18 0.22 -0.14 0.00 -2.01 0.00 0.00 57.72 55.97 1wfu n HIS 64 Cb 0.61 -0.98 -0.10 0.00 0.12 0.00 0.00 29.99 29.63 1wfu n HIS 64 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1wfu s SER 65 N -1.95 1.50 0.42 4.39 0.01 -1.21 -4.85 113.70 112.01 1wfu s SER 65 Ca 0.27 -1.11 0.05 0.00 1.31 0.00 0.00 55.95 56.47 1wfu s SER 65 Cb -0.16 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1wfu s SER 65 CO 0.33 -0.47 0.59 -0.31 0.41 0.00 0.00 173.24 173.79 1wfu s TYR 66 N -3.50 2.99 -0.24 2.43 1.51 -1.26 0.29 117.35 119.56 1wfu s TYR 66 Ca 0.21 -0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.94 1wfu s TYR 66 Cb 0.05 -2.31 0.07 0.00 -0.11 0.00 0.00 41.96 39.66 1wfu s TYR 66 CO 0.02 -0.35 0.61 0.20 -1.11 0.00 0.00 175.55 174.92 1wfu s GLY 67 N -4.28 -0.53 -0.87 0.71 0.00 -0.47 -4.90 107.32 96.98 1wfu s GLY 67 Ca 0.51 2.08 -0.25 0.00 0.00 0.00 0.00 44.72 47.06 1wfu s GLY 67 CO 0.34 2.05 2.13 0.14 0.00 0.00 0.00 173.10 177.76 1wfu s VAL 68 N 1.32 3.27 0.24 1.40 1.01 -1.26 -1.74 120.40 124.64 1wfu s VAL 68 Ca -0.08 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1wfu s VAL 68 Cb -0.06 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1wfu s VAL 68 CO -0.14 -0.58 1.56 0.16 0.00 0.00 0.00 175.10 176.10 1wfu h ILE 69 N 7.40 1.40 -3.56 2.22 3.07 -1.76 -3.45 117.51 122.83 1wfu h ILE 69 Ca 0.06 -2.03 -0.19 0.00 1.55 0.00 0.00 64.86 64.26 1wfu h ILE 69 Cb 1.00 2.04 -0.25 0.00 -0.27 0.00 0.00 36.82 39.34 1wfu h ILE 69 CO 1.13 0.60 -0.59 -0.47 -1.05 0.00 0.00 178.15 177.76 1wfu s TYR 70 N -3.72 -0.03 -0.22 0.16 5.04 -1.18 -5.03 117.35 112.38 1wfu s TYR 70 Ca -0.04 0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 54.61 1wfu s TYR 70 Cb 0.12 -0.01 0.11 0.00 0.35 0.00 0.00 41.96 42.53 1wfu s TYR 70 CO 0.80 -0.13 0.41 -0.08 -1.34 0.00 0.00 175.55 175.21 1wfu s THR 71 N -0.48 -0.64 0.00 4.34 -1.32 -1.26 -0.93 115.64 115.35 1wfu s THR 71 Ca -0.06 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1wfu s THR 71 Cb -0.04 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1wfu s THR 71 CO 0.00 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1wfu n GLY 72 N 5.38 1.90 0.59 6.08 0.00 -1.07 -5.03 105.19 113.03 1wfu n GLY 72 Ca -0.06 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.62 1wfu n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wfu n TYR 73 N 0.00 0.00 -2.89 1.61 4.02 -1.26 -1.93 117.16 116.71 1wfu n TYR 73 Ca 0.00 -1.17 -0.15 0.00 -0.01 0.00 0.00 57.90 56.57 1wfu n TYR 73 Cb 0.00 -0.20 0.06 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.93 0.69 -0.01 -0.72 0.00 -1.26 -4.94 120.51 113.34 1wfu n ALA 74 Ca 0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.10 1wfu n ALA 74 Cb 0.74 0.36 -0.01 0.00 0.00 0.00 0.00 19.45 20.54 1wfu n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wfu n THR 75 N -2.06 0.11 -2.39 0.00 -2.24 -1.26 -4.76 114.28 101.68 1wfu n THR 75 Ca 0.12 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1wfu n THR 75 Cb 0.43 -0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.04 3.59 -0.30 -0.78 3.52 -1.26 -2.09 118.95 119.60 1wfu s ARG 76 Ca -0.02 0.43 -0.14 0.00 -0.13 0.00 0.00 55.73 55.87 1wfu s ARG 76 Cb 0.01 -2.27 0.15 0.00 -1.56 0.00 0.00 34.95 31.28 1wfu s ARG 76 CO 0.05 -0.31 0.90 -1.58 -0.81 0.00 0.00 175.30 173.54 1wfu s HIS 77 N -2.85 -0.82 -0.38 5.12 2.46 0.33 -4.94 115.29 114.20 1wfu s HIS 77 Ca 0.51 1.47 -0.04 0.00 0.47 0.00 0.00 55.06 57.47 1wfu s HIS 77 Cb -0.11 0.49 0.09 0.00 -0.13 0.00 0.00 32.58 32.93 1wfu s HIS 77 CO 0.46 -0.41 0.15 0.08 -2.47 0.00 0.00 174.74 172.56 1wfu s VAL 78 N 2.31 3.35 -0.28 0.89 1.01 -1.26 -0.07 120.40 126.35 1wfu s VAL 78 Ca -0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 59.88 1wfu s VAL 78 Cb -0.07 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1wfu s VAL 78 CO -0.17 -0.50 1.88 -0.69 0.00 0.00 0.00 175.10 175.61 1wfu s VAL 79 N 1.22 3.38 0.72 2.92 1.01 -0.03 -4.80 120.40 124.82 1wfu s VAL 79 Ca 0.04 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1wfu s VAL 79 Cb -0.22 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.78 1wfu s VAL 79 CO -0.02 -0.30 1.00 -1.61 0.00 0.00 0.00 175.10 174.17 1wfu s GLU 80 N 5.67 1.78 -0.60 2.72 2.02 -1.26 -1.52 118.70 127.51 1wfu s GLU 80 Ca 0.84 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.90 1wfu s GLU 80 Cb -0.26 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1wfu s GLU 80 CO 0.34 -1.42 0.65 0.41 0.02 0.00 0.00 175.26 175.26 1wfu n GLY 81 N -2.89 -1.05 3.35 -1.39 0.00 -1.14 -4.91 105.19 97.15 1wfu n GLY 81 Ca 0.13 0.87 -0.18 0.00 0.00 0.00 0.00 46.02 46.84 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 -3.44 2.08 0.14 0.99 1.43 -0.00 -5.00 118.68 114.89 1wfu s LEU 82 Ca 0.15 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1wfu s LEU 82 Cb -0.03 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1wfu s LEU 82 CO 0.80 -0.57 0.08 -1.61 0.23 0.00 0.00 176.35 175.28 1wfu s GLU 83 N -3.90 2.75 0.21 1.70 2.02 -1.26 -4.49 118.70 115.72 1wfu s GLU 83 Ca 0.32 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1wfu s GLU 83 Cb 0.07 -2.58 -0.09 0.00 0.10 0.00 0.00 34.13 31.62 1wfu s GLU 83 CO 0.11 0.50 1.29 -1.25 0.02 0.00 0.00 175.26 175.93 1wfu s PRO 84 N -2.84 4.40 -1.37 0.39 0.04 -1.19 -3.23 135.00 131.20 1wfu s PRO 84 Ca 0.29 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 1wfu s PRO 84 Cb -0.10 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1wfu s PRO 84 CO 0.21 -0.21 1.00 0.54 0.04 0.00 0.00 177.00 178.58 1wfu n ARG 85 N 2.42 -6.44 -5.09 4.56 5.12 -0.80 -4.93 116.66 111.49 1wfu n ARG 85 Ca 0.05 0.73 -0.28 0.00 -1.93 0.00 0.00 57.85 56.42 1wfu n ARG 85 Cb 0.43 -5.63 -0.16 0.00 -1.16 0.00 0.00 32.46 25.94 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 -3.39 1.75 0.21 0.55 2.01 -1.20 -4.87 115.64 110.70 1wfu s THR 86 Ca 0.38 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 1wfu s THR 86 Cb -0.18 -1.46 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 1wfu s THR 86 CO 0.77 0.49 0.75 -0.22 -0.69 0.00 0.00 174.62 175.72 1wfu s LEU 87 N -0.41 4.40 -0.14 4.42 1.98 -1.26 -1.39 118.68 126.28 1wfu s LEU 87 Ca 0.05 1.49 -0.04 0.00 -2.89 0.00 0.00 54.13 52.74 1wfu s LEU 87 Cb -0.10 -3.54 0.06 0.00 0.66 0.00 0.00 46.19 43.28 1wfu s LEU 87 CO 0.00 0.07 0.14 -0.31 -1.89 0.00 0.00 176.35 174.35 1wfu s TYR 88 N -1.44 -0.03 0.03 5.38 2.02 0.94 -4.92 117.35 119.33 1wfu s TYR 88 Ca 0.42 0.12 -0.20 0.00 -0.37 0.00 0.00 57.07 57.04 1wfu s TYR 88 Cb -0.18 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 40.84 1wfu s TYR 88 CO 0.22 -0.43 0.57 0.15 -1.57 0.00 0.00 175.55 174.49 1wfu s LYS 89 N 2.23 4.25 0.02 -0.62 1.02 -1.26 -1.97 119.74 123.41 1wfu s LYS 89 Ca 0.04 0.72 0.02 0.00 0.02 0.00 0.00 55.97 56.76 1wfu s LYS 89 Cb -0.14 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1wfu s LYS 89 CO -0.08 0.51 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.74 1wfu s PHE 90 N -0.66 0.51 -0.08 3.18 0.08 -0.83 -3.22 117.98 116.96 1wfu s PHE 90 Ca 0.30 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.04 1wfu s PHE 90 Cb -0.19 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1wfu s PHE 90 CO 0.18 -0.07 -0.21 -0.98 -0.10 0.00 0.00 175.22 174.04 1wfu s ARG 91 N -1.00 2.58 -0.24 0.44 1.70 -0.44 -0.77 118.95 121.21 1wfu s ARG 91 Ca -0.06 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 54.26 1wfu s ARG 91 Cb -0.07 -2.02 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 1wfu s ARG 91 CO 0.00 0.17 0.55 -1.17 -1.08 0.00 0.00 175.30 173.77 1wfu s LEU 92 N 0.34 4.09 0.05 -1.89 2.96 -1.26 -2.47 118.68 120.50 1wfu s LEU 92 Ca -0.15 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1wfu s LEU 92 Cb -0.17 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1wfu s LEU 92 CO 0.07 -0.27 0.01 -0.75 -1.32 0.00 0.00 176.35 174.08 1wfu s LYS 93 N 2.13 2.68 -0.02 1.98 2.36 -0.20 0.05 119.74 128.71 1wfu s LYS 93 Ca 0.23 -0.73 -0.07 0.00 -2.55 0.00 0.00 55.97 52.85 1wfu s LYS 93 Cb -0.16 -2.61 0.01 0.00 -1.05 0.00 0.00 37.83 34.02 1wfu s LYS 93 CO 0.09 0.58 0.15 0.14 1.55 0.00 0.00 175.35 177.86 1wfu s VAL 94 N -1.24 0.05 -0.14 4.02 -7.23 -1.01 -1.96 120.40 112.89 1wfu s VAL 94 Ca 0.24 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 1wfu s VAL 94 Cb -0.12 -0.36 0.05 0.00 0.56 0.00 0.00 36.38 36.51 1wfu s VAL 94 CO 0.16 -0.24 0.04 -0.89 -0.31 0.00 0.00 175.10 173.86 1wfu s THR 95 N -0.84 0.26 0.79 5.32 2.01 -1.15 -0.62 115.64 121.41 1wfu s THR 95 Ca -0.09 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1wfu s THR 95 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1wfu s THR 95 CO 0.01 -0.08 0.35 -1.54 -0.69 0.00 0.00 174.62 172.67 1wfu n SER 96 N 5.16 -1.96 0.00 3.53 3.41 0.53 -3.56 113.62 120.72 1wfu n SER 96 Ca -0.07 0.50 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 1wfu n SER 96 Cb 0.49 -1.15 0.21 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.57 0.49 -0.04 4.33 -0.04 -1.26 -2.44 135.00 135.46 1wfu n PRO 97 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1wfu n PRO 97 Cb 0.51 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.73 3.13 0.00 3.54 7.64 -1.26 -5.00 113.62 120.93 1wfu n SER 98 Ca 0.05 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wfu n SER 98 Cb 0.02 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 99 N 2.67 2.45 3.51 0.23 0.00 -1.02 -5.14 105.19 107.90 1wfu n GLY 99 Ca -0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 0.08 -3.59 1.61 -0.58 -1.26 -4.59 120.64 112.30 1wfu n GLU 100 Ca 0.00 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.72 1wfu n GLU 100 Cb 0.00 -2.01 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 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 -2.13 -0.36 0.19 -0.32 1.13 -1.26 0.20 117.35 114.80 1wfu s TYR 101 Ca 0.65 0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 56.35 1wfu s TYR 101 Cb -0.29 0.54 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 1wfu s TYR 101 CO 0.59 -0.94 0.30 0.39 -2.51 0.00 0.00 175.55 173.38 1wfu n GLU 102 N -0.38 0.43 -3.89 -3.49 -0.58 0.21 -4.63 120.64 108.31 1wfu n GLU 102 Ca -0.13 -1.39 -0.11 0.00 -0.42 0.00 0.00 57.16 55.11 1wfu n GLU 102 Cb 0.63 1.42 -0.12 0.00 -0.57 0.00 0.00 31.44 32.81 1wfu n GLU 102 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1wfu s TYR 103 N -4.32 0.04 0.45 -0.32 1.51 -1.26 -2.40 117.35 111.05 1wfu s TYR 103 Ca 0.13 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1wfu s TYR 103 Cb -0.01 -0.05 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1wfu s TYR 103 CO 0.10 -0.16 0.69 -1.54 -1.11 0.00 0.00 175.55 173.53 1wfu s SER 104 N -0.78 5.98 -0.06 2.29 1.04 0.11 -4.19 113.70 118.08 1wfu s SER 104 Ca -0.09 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.53 1wfu s SER 104 Cb -0.05 -1.78 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 1wfu s SER 104 CO 0.00 -0.63 1.50 -2.16 0.98 0.00 0.00 173.24 172.93 1wfu s PRO 105 N -4.58 4.22 0.10 4.02 0.04 -1.26 -4.40 135.00 133.13 1wfu s PRO 105 Ca 0.47 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.25 1wfu s PRO 105 Cb -0.10 -3.82 -0.15 0.00 0.04 0.00 0.00 34.50 30.47 1wfu s PRO 105 CO 0.39 -0.74 0.61 0.28 0.04 0.00 0.00 177.00 177.58 1wfu n VAL 106 N 5.23 0.99 -3.98 -0.36 0.31 -1.26 -4.74 118.33 114.52 1wfu n VAL 106 Ca 0.15 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 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 -0.50 1.99 -0.13 2.52 -7.23 0.05 -4.91 120.40 112.19 1wfu s VAL 107 Ca 0.61 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.62 1wfu s VAL 107 Cb -0.88 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 1wfu s VAL 107 CO 0.46 -0.43 0.64 -0.94 -0.31 0.00 0.00 175.10 174.52 1wfu s SER 108 N 1.09 6.83 -0.02 4.85 1.04 -1.26 -1.96 113.70 124.27 1wfu s SER 108 Ca 0.05 1.00 0.01 0.00 0.48 0.00 0.00 55.95 57.49 1wfu s SER 108 Cb -0.19 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.57 1wfu s SER 108 CO -0.09 -0.16 -0.04 0.68 0.98 0.00 0.00 173.24 174.60 1wfu s VAL 109 N 1.21 0.38 -0.23 5.02 -7.23 -0.83 -4.90 120.40 113.82 1wfu s VAL 109 Ca 0.32 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.26 1wfu s VAL 109 Cb -0.16 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1wfu s VAL 109 CO 0.14 0.14 0.10 0.00 -0.31 0.00 0.00 175.10 175.17 1wfu s ALA 110 N 0.26 3.37 1.46 1.32 0.00 -1.26 -0.04 121.76 126.88 1wfu s ALA 110 Ca -0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 1wfu s ALA 110 Cb -0.06 -2.14 0.38 0.00 0.00 0.00 0.00 23.12 21.30 1wfu s ALA 110 CO -0.00 -0.24 0.92 0.95 0.00 0.00 0.00 175.76 177.38 1wfu s THR 111 N 1.16 1.08 0.60 0.00 -4.23 -0.49 -4.85 115.64 108.92 1wfu s THR 111 Ca 0.05 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1wfu s THR 111 Cb -0.14 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.69 1wfu s THR 111 CO 0.04 0.00 0.84 0.42 -0.54 0.00 0.00 174.62 175.38 1wfu s THR 112 N -2.26 2.42 0.24 3.99 -4.23 -1.25 -3.78 115.64 110.76 1wfu s THR 112 Ca 0.69 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1wfu s THR 112 Cb -0.11 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 1wfu s THR 112 CO 0.57 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.56 1wfu s ARG 113 N -4.84 4.76 0.11 3.99 1.70 -1.26 -1.90 118.95 121.51 1wfu s ARG 113 Ca 0.61 1.40 -0.27 0.00 -0.47 0.00 0.00 55.73 57.00 1wfu s ARG 113 Cb -0.08 -3.21 -0.15 0.00 -0.57 0.00 0.00 34.95 30.95 1wfu s ARG 113 CO 0.40 0.49 0.59 0.39 -1.08 0.00 0.00 175.30 176.09 1wfu n GLU 114 N 1.37 0.00 -3.64 3.89 1.02 -1.26 -4.78 120.64 117.24 1wfu n GLU 114 Ca -0.02 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.73 1wfu n GLU 114 Cb 0.48 -0.97 -0.12 0.00 -0.02 0.00 0.00 31.44 30.81 1wfu n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wfu s SER 115 N -0.55 5.58 0.00 1.62 0.15 -1.26 -5.01 113.70 114.24 1wfu s SER 115 Ca 0.61 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wfu s SER 115 Cb -0.87 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 1wfu s SER 115 CO 0.47 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1wfu n GLY 116 N 4.98 0.48 0.25 9.45 0.00 -1.26 -5.02 105.19 114.07 1wfu n GLY 116 Ca -0.13 0.65 0.16 0.00 0.00 0.00 0.00 46.02 46.70 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 -6.48 1.61 0.13 -2.04 -3.43 132.00 121.79 1wfu h PRO 117 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1wfu h PRO 117 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1wfu h PRO 117 CO 0.00 0.00 0.72 -1.12 -0.23 0.00 0.00 178.00 177.37 1wfu s SER 118 N -5.35 6.90 -0.28 1.44 0.01 -1.26 -4.93 113.70 110.23 1wfu s SER 118 Ca 0.02 2.18 -0.13 0.00 1.31 0.00 0.00 55.95 59.33 1wfu s SER 118 Cb 0.09 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.62 1wfu s SER 118 CO 0.50 -0.63 -0.33 -0.24 0.41 0.00 0.00 173.24 172.96 1wfu n SER 119 N 4.38 1.96 0.00 2.44 2.88 -1.26 -5.19 113.62 118.84 1wfu n SER 119 Ca 0.11 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1wfu n SER 119 Cb 0.44 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42