#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo0 s VAL 3 N 0.00 0.11 -0.06 -0.18 1.01 -1.26 -0.32 120.40 119.71 1fo0 s VAL 3 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1fo0 s VAL 3 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1fo0 s VAL 3 CO 0.00 0.18 -0.06 -0.89 0.00 0.00 0.00 175.10 174.33 1fo0 s THR 4 N 1.65 0.72 -0.33 3.92 2.01 0.14 -4.49 115.64 119.26 1fo0 s THR 4 Ca -0.01 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1fo0 s THR 4 Cb -0.13 -0.72 0.10 0.00 0.01 0.00 0.00 72.50 71.77 1fo0 s THR 4 CO -0.03 0.27 0.07 0.00 -0.69 0.00 0.00 174.62 174.23 1fo0 s GLN 5 N 0.95 1.21 0.15 4.92 -2.07 -1.26 -1.36 119.66 122.20 1fo0 s GLN 5 Ca -0.10 -1.59 -0.18 0.00 -1.82 0.00 0.00 55.36 51.67 1fo0 s GLN 5 Cb -0.14 -2.78 0.04 0.00 -1.09 0.00 0.00 33.01 29.04 1fo0 s GLN 5 CO 0.00 -0.95 1.72 1.15 -1.32 0.00 0.00 175.29 175.89 1fo0 h THR 6 N 6.57 0.82 -3.70 3.63 2.02 -1.97 -3.44 112.91 116.84 1fo0 h THR 6 Ca -0.07 -0.04 -0.52 0.00 0.77 0.00 0.00 66.41 66.54 1fo0 h THR 6 Cb 1.02 0.68 0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1fo0 h THR 6 CO 0.50 0.02 0.66 0.00 0.37 0.00 0.00 175.52 177.07 1fo0 s GLN 7 N -6.18 4.36 -0.04 6.66 -2.07 -1.26 -4.95 119.66 116.18 1fo0 s GLN 7 Ca -0.13 2.19 -0.10 0.00 -1.82 0.00 0.00 55.36 55.49 1fo0 s GLN 7 Cb 0.12 -3.10 -0.30 0.00 -1.09 0.00 0.00 33.01 28.63 1fo0 s GLN 7 CO 0.70 -0.22 0.69 1.15 -1.32 0.00 0.00 175.29 176.29 1fo0 h THR 8 N 3.25 0.96 -2.42 3.63 2.02 -1.85 -3.39 112.91 115.11 1fo0 h THR 8 Ca -0.48 -2.54 0.07 0.00 0.77 0.00 0.00 66.41 64.23 1fo0 h THR 8 Cb 1.22 2.76 -0.15 0.00 -1.74 0.00 0.00 68.15 70.25 1fo0 h THR 8 CO 0.70 0.85 0.42 -0.94 0.37 0.00 0.00 175.52 176.92 1fo0 s SER 9 N -7.26 -0.42 0.01 4.18 1.04 -1.26 -1.29 113.70 108.69 1fo0 s SER 9 Ca -0.15 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1fo0 s SER 9 Cb 0.06 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1fo0 s SER 9 CO 0.86 -0.70 -0.02 -0.63 0.98 0.00 0.00 173.24 173.73 1fo0 s ILE 10 N -3.15 0.15 -0.06 -1.02 1.01 0.36 -4.88 121.20 113.61 1fo0 s ILE 10 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1fo0 s ILE 10 Cb -0.01 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1fo0 s ILE 10 CO -0.09 -0.07 -0.04 -0.44 0.00 0.00 0.00 174.94 174.30 1fo0 s SER 11 N -0.36 1.36 0.34 3.58 0.01 -1.26 0.85 113.70 118.21 1fo0 s SER 11 Ca -0.03 -0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.15 1fo0 s SER 11 Cb -0.03 -0.51 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 1fo0 s SER 11 CO -0.00 -0.10 0.32 0.68 0.41 0.00 0.00 173.24 174.55 1fo0 s VAL 12 N 1.35 0.00 -0.01 3.43 -7.23 -0.40 -4.94 120.40 112.60 1fo0 s VAL 12 Ca -0.04 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1fo0 s VAL 12 Cb -0.13 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1fo0 s VAL 12 CO -0.03 0.00 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.72 1fo0 s MET 13 N -3.33 2.79 0.63 4.82 -1.94 -1.26 -1.50 119.30 119.52 1fo0 s MET 13 Ca 0.39 -0.59 -0.18 0.00 -1.71 0.00 0.00 55.69 53.60 1fo0 s MET 13 Cb 0.02 -2.67 -0.13 0.00 2.01 0.00 0.00 34.83 34.06 1fo0 s MET 13 CO 0.27 0.63 -0.07 -1.91 -0.01 0.00 0.00 175.02 173.93 1fo0 n GLU 14 N 1.52 0.10 0.00 2.03 2.13 -0.43 -2.37 120.64 123.63 1fo0 n GLU 14 Ca -0.15 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1fo0 n GLU 14 Cb 0.53 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.03 1fo0 n GLU 14 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1fo0 n LYS 15 N 1.15 0.00 -1.83 5.31 5.02 0.35 -4.88 118.16 123.28 1fo0 n LYS 15 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1fo0 n LYS 15 Cb 0.49 -1.17 0.03 0.00 -0.02 0.00 0.00 35.03 34.36 1fo0 n LYS 15 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fo0 s THR 16 N -2.44 4.04 -0.16 -0.18 2.01 -1.00 -4.04 115.64 113.87 1fo0 s THR 16 Ca 0.00 0.66 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1fo0 s THR 16 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1fo0 s THR 16 CO 0.00 -0.87 0.02 -0.89 -0.69 0.00 0.00 174.62 172.19 1fo0 s THR 17 N -3.25 4.39 0.15 -0.82 2.01 -1.26 -0.36 115.64 116.51 1fo0 s THR 17 Ca 0.57 -0.18 0.11 0.00 0.31 0.00 0.00 61.69 62.50 1fo0 s THR 17 Cb -0.11 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1fo0 s THR 17 CO 0.53 0.49 -0.25 -0.69 -0.69 0.00 0.00 174.62 174.01 1fo0 s VAL 18 N 0.19 2.34 -0.14 3.82 1.01 -0.57 -4.97 120.40 122.08 1fo0 s VAL 18 Ca 0.02 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 1fo0 s VAL 18 Cb -0.13 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1fo0 s VAL 18 CO 0.02 0.03 -0.05 -0.89 0.00 0.00 0.00 175.10 174.20 1fo0 s THR 19 N -1.25 0.97 -0.16 3.92 2.01 -1.26 -0.12 115.64 119.76 1fo0 s THR 19 Ca 0.16 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 1fo0 s THR 19 Cb -0.09 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1fo0 s THR 19 CO 0.07 0.22 0.29 -0.04 -0.69 0.00 0.00 174.62 174.48 1fo0 s MET 20 N 1.71 4.24 0.22 4.92 -1.94 0.91 -4.93 119.30 124.43 1fo0 s MET 20 Ca 0.03 0.10 -0.07 0.00 -1.71 0.00 0.00 55.69 54.04 1fo0 s MET 20 Cb -0.14 -3.42 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 1fo0 s MET 20 CO -0.08 0.25 0.50 -0.51 -0.01 0.00 0.00 175.02 175.17 1fo0 s ASP 21 N 0.42 6.54 -0.21 3.03 -0.00 -1.26 0.10 116.67 125.28 1fo0 s ASP 21 Ca 0.17 0.76 -0.09 0.00 -0.00 0.00 0.00 52.55 53.39 1fo0 s ASP 21 Cb -0.13 -2.16 0.09 0.00 -0.00 0.00 0.00 42.92 40.72 1fo0 s ASP 21 CO 0.04 -0.07 0.47 0.00 -0.00 0.00 0.00 175.17 175.61 1fo0 s VAL 23 N 2.29 2.03 0.16 0.00 1.01 -0.46 0.02 120.40 125.46 1fo0 s VAL 23 Ca -0.05 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1fo0 s VAL 23 Cb -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1fo0 s VAL 23 CO -0.14 0.57 -0.05 -0.72 0.00 0.00 0.00 175.10 174.76 1fo0 s TYR 24 N -0.57 1.27 -0.13 5.22 -0.85 -0.64 0.26 117.35 121.91 1fo0 s TYR 24 Ca 0.09 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1fo0 s TYR 24 Cb -0.10 -0.69 0.03 0.00 0.38 0.00 0.00 41.96 41.58 1fo0 s TYR 24 CO -0.01 -0.05 -0.04 -1.21 -1.52 0.00 0.00 175.55 172.73 1fo0 s GLU 25 N -3.82 1.22 0.04 -3.49 2.02 0.57 -4.82 118.70 110.41 1fo0 s GLU 25 Ca 0.20 -0.26 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 1fo0 s GLU 25 Cb 0.04 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1fo0 s GLU 25 CO 0.02 -0.35 0.17 0.99 0.02 0.00 0.00 175.26 176.11 1fo0 s THR 26 N 1.76 0.11 -0.67 3.63 2.01 -1.26 -4.35 115.64 116.88 1fo0 s THR 26 Ca 0.03 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1fo0 s THR 26 Cb -0.14 -0.90 0.07 0.00 0.01 0.00 0.00 72.50 71.54 1fo0 s THR 26 CO -0.07 -0.52 0.78 0.00 -0.69 0.00 0.00 174.62 174.12 1fo0 n GLN 27 N 0.71 0.49 -2.52 4.92 -0.00 -1.26 -5.02 117.38 114.70 1fo0 n GLN 27 Ca -0.19 -1.05 -0.37 0.00 -0.00 0.00 0.00 57.00 55.39 1fo0 n GLN 27 Cb 0.59 -1.12 -0.04 0.00 -0.00 0.00 0.00 30.24 29.67 1fo0 n GLN 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1fo0 s ASP 28 N -0.60 6.85 0.16 2.61 1.11 -1.26 -4.97 116.67 120.58 1fo0 s ASP 28 Ca 0.08 2.09 0.06 0.00 0.18 0.00 0.00 52.55 54.96 1fo0 s ASP 28 Cb 0.05 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 1fo0 s ASP 28 CO 0.07 -0.43 1.37 0.77 1.18 0.00 0.00 175.17 178.14 1fo0 h SER 29 N 2.76 0.10 -3.72 0.27 4.64 -2.05 -3.43 113.55 112.13 1fo0 h SER 29 Ca -0.48 -0.08 -0.68 0.00 -0.47 0.00 0.00 61.79 60.08 1fo0 h SER 29 Cb 1.22 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 63.01 1fo0 h SER 29 CO 0.63 0.94 -0.80 -0.44 -0.87 0.00 0.00 176.83 176.29 1fo0 s SER 30 N -6.83 3.76 0.15 4.97 0.01 -1.26 -4.89 113.70 109.61 1fo0 s SER 30 Ca -0.01 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1fo0 s SER 30 Cb 0.10 -1.17 0.05 0.00 0.21 0.00 0.00 66.02 65.21 1fo0 s SER 30 CO 0.81 0.24 0.49 -0.72 0.41 0.00 0.00 173.24 174.48 1fo0 s TYR 30 N -0.13 -0.30 -0.09 2.43 -0.85 -1.26 -5.02 117.35 112.13 1fo0 s TYR 30 Ca -0.02 0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.55 1fo0 s TYR 30 Cb -0.14 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.61 1fo0 s TYR 30 CO 0.04 -0.79 -0.10 -0.06 -1.52 0.00 0.00 175.55 173.11 1fo0 s PHE 31 N -3.80 1.53 -0.05 -3.49 0.40 -1.26 -1.20 117.98 110.11 1fo0 s PHE 31 Ca 0.03 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1fo0 s PHE 31 Cb 0.00 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1fo0 s PHE 31 CO -0.11 -0.42 -0.14 -0.51 0.70 0.00 0.00 175.22 174.74 1fo0 s LEU 32 N 1.23 2.74 0.03 -0.37 1.43 -1.03 -2.19 118.68 120.52 1fo0 s LEU 32 Ca -0.04 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1fo0 s LEU 32 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1fo0 s LEU 32 CO -0.03 0.34 0.01 -0.36 0.23 0.00 0.00 176.35 176.53 1fo0 s PHE 33 N -0.69 0.29 -0.07 0.29 0.40 0.83 -1.65 117.98 117.37 1fo0 s PHE 33 Ca 0.11 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 1fo0 s PHE 33 Cb -0.11 -0.21 0.00 0.00 0.51 0.00 0.00 43.02 43.21 1fo0 s PHE 33 CO 0.01 -0.27 -0.20 -1.58 0.70 0.00 0.00 175.22 173.88 1fo0 s TRP 34 N -2.18 2.09 0.29 0.36 0.52 -0.19 -0.18 118.94 119.65 1fo0 s TRP 34 Ca -0.09 -0.76 0.08 0.00 0.02 0.00 0.00 56.10 55.34 1fo0 s TRP 34 Cb -0.04 -1.42 -0.06 0.00 -1.15 0.00 0.00 33.47 30.80 1fo0 s TRP 34 CO -0.03 -0.31 -0.08 0.71 0.02 0.00 0.00 176.95 177.26 1fo0 s TYR 35 N 0.30 2.04 -0.01 -1.98 1.51 0.97 -0.95 117.35 119.23 1fo0 s TYR 35 Ca -0.13 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1fo0 s TYR 35 Cb -0.16 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1fo0 s TYR 35 CO 0.06 0.37 -0.06 0.21 -1.11 0.00 0.00 175.55 175.01 1fo0 s LYS 36 N -3.69 0.50 -0.18 -0.62 2.20 0.54 -0.30 119.74 118.19 1fo0 s LYS 36 Ca 0.30 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1fo0 s LYS 36 Cb 0.03 -0.48 0.02 0.00 -1.51 0.00 0.00 37.83 35.88 1fo0 s LYS 36 CO 0.13 0.12 -0.18 -1.14 -0.36 0.00 0.00 175.35 173.92 1fo0 s GLN 37 N -0.11 3.02 0.84 4.03 0.74 0.13 0.85 119.66 129.15 1fo0 s GLN 37 Ca 0.02 -0.81 -0.12 0.00 0.05 0.00 0.00 55.36 54.49 1fo0 s GLN 37 Cb -0.03 -2.61 0.10 0.00 1.10 0.00 0.00 33.01 31.57 1fo0 s GLN 37 CO -0.00 -0.21 1.19 0.95 -0.55 0.00 0.00 175.29 176.66 1fo0 s THR 38 N 1.31 2.00 0.25 -0.34 -4.23 -0.59 -1.63 115.64 112.40 1fo0 s THR 38 Ca 0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.51 1fo0 s THR 38 Cb -0.13 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1fo0 s THR 38 CO -0.12 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.61 1fo0 h ALA 39 N -1.17 0.88 -0.04 3.99 0.00 -1.90 0.27 119.26 121.28 1fo0 h ALA 39 Ca -0.46 0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1fo0 h ALA 39 Cb 1.32 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1fo0 h ALA 39 CO 0.63 -0.41 0.09 0.66 0.00 0.00 0.00 179.25 180.22 1fo0 h SER 40 N 0.15 0.00 0.00 0.00 4.64 -2.01 -3.45 113.55 112.88 1fo0 h SER 40 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1fo0 h SER 40 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1fo0 h SER 40 CO -0.62 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.95 1fo0 n GLY 41 N -1.23 0.60 3.71 -0.77 0.00 0.95 -5.04 105.19 103.40 1fo0 n GLY 41 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1fo0 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fo0 s GLU 42 N -0.63 4.27 -0.38 1.61 2.02 -1.26 -4.81 118.70 119.52 1fo0 s GLU 42 Ca 0.00 2.16 -0.12 0.00 0.02 0.00 0.00 54.97 57.03 1fo0 s GLU 42 Cb 0.00 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.92 1fo0 s GLU 42 CO 0.00 -0.54 0.23 0.42 0.02 0.00 0.00 175.26 175.38 1fo0 s ILE 43 N 1.56 4.74 -0.14 -1.63 1.01 -1.26 -1.54 121.20 123.94 1fo0 s ILE 43 Ca 0.67 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1fo0 s ILE 43 Cb -0.38 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1fo0 s ILE 43 CO 0.30 -0.24 -0.03 -0.69 0.00 0.00 0.00 174.94 174.28 1fo0 s VAL 44 N 1.59 3.96 0.03 2.92 1.01 0.25 -4.89 120.40 125.27 1fo0 s VAL 44 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1fo0 s VAL 44 Cb -0.19 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 1fo0 s VAL 44 CO 0.07 0.52 1.38 0.12 0.00 0.00 0.00 175.10 177.20 1fo0 s PHE 45 N 0.08 2.98 -0.09 5.22 5.36 -1.26 -0.34 117.98 129.93 1fo0 s PHE 45 Ca 0.00 0.88 -0.09 0.00 -0.96 0.00 0.00 56.93 56.76 1fo0 s PHE 45 Cb -0.13 -3.65 -0.03 0.00 -0.34 0.00 0.00 43.02 38.86 1fo0 s PHE 45 CO 0.03 -2.35 -0.18 1.28 -1.46 0.00 0.00 175.22 172.53 1fo0 n LEU 46 N 4.94 1.02 -3.46 6.12 4.32 -0.13 -4.94 117.00 124.87 1fo0 n LEU 46 Ca 0.12 0.17 -0.11 0.00 -0.02 0.00 0.00 56.01 56.17 1fo0 n LEU 46 Cb 0.44 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1fo0 n LEU 46 CO 0.58 -0.39 0.50 -0.51 -1.22 0.00 0.00 177.39 176.36 1fo0 s ILE 47 N -2.00 0.00 0.20 -0.08 2.07 -1.17 -4.99 121.20 115.23 1fo0 s ILE 47 Ca -0.15 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 1fo0 s ILE 47 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1fo0 s ILE 47 CO 0.22 0.00 0.13 0.00 -1.91 0.00 0.00 174.94 173.38 1fo0 s ARG 48 N -3.25 1.19 -0.03 3.50 1.70 -1.26 -1.02 118.95 119.78 1fo0 s ARG 48 Ca 0.01 -1.62 0.01 0.00 -0.47 0.00 0.00 55.73 53.66 1fo0 s ARG 48 Cb -0.01 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1fo0 s ARG 48 CO -0.09 -0.39 -0.01 -1.14 -1.08 0.00 0.00 175.30 172.59 1fo0 s GLN 49 N -4.15 0.36 -0.05 3.89 2.00 -0.66 -4.67 119.66 116.38 1fo0 s GLN 49 Ca 0.38 0.01 -0.14 0.00 -2.00 0.00 0.00 55.36 53.61 1fo0 s GLN 49 Cb 0.07 -0.48 -0.05 0.00 0.80 0.00 0.00 33.01 33.35 1fo0 s GLN 49 CO 0.12 -0.08 0.38 -0.51 -0.50 0.00 0.00 175.29 174.69 1fo0 s ASP 50 N 0.76 6.70 0.57 6.67 1.01 -1.26 -2.46 116.67 128.66 1fo0 s ASP 50 Ca -0.08 0.84 0.26 0.00 0.71 0.00 0.00 52.55 54.28 1fo0 s ASP 50 Cb -0.11 -2.23 1.55 0.00 1.01 0.00 0.00 42.92 43.14 1fo0 s ASP 50 CO -0.01 0.26 2.10 0.77 0.21 0.00 0.00 175.17 178.49 1fo0 h SER 51 N 5.29 0.00 0.07 0.27 4.64 -1.55 0.44 113.55 122.72 1fo0 h SER 51 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1fo0 h SER 51 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1fo0 h SER 51 CO 0.65 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 176.51 1fo0 n TYR 52 N -4.04 0.00 -3.11 4.77 0.18 -1.26 -4.79 117.16 108.91 1fo0 n TYR 52 Ca 0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1fo0 n TYR 52 Cb 0.33 -0.04 -0.07 0.00 -0.38 0.00 0.00 39.34 39.18 1fo0 n TYR 52 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1fo0 s LYS 53 N -2.19 3.60 0.60 -3.48 1.02 0.14 -4.92 119.74 114.52 1fo0 s LYS 53 Ca 0.32 -0.03 0.31 0.00 0.02 0.00 0.00 55.97 56.59 1fo0 s LYS 53 Cb 0.20 -3.84 1.86 0.00 -0.52 0.00 0.00 37.83 35.54 1fo0 s LYS 53 CO 0.40 -0.79 2.23 0.87 -0.92 0.00 0.00 175.35 177.15 1fo0 h LYS 54 N 8.54 0.00 -6.10 1.68 1.79 -1.86 -3.44 116.57 117.18 1fo0 h LYS 54 Ca -0.26 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.68 1fo0 h LYS 54 Cb 1.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 1fo0 h LYS 54 CO 0.85 0.00 -0.47 -1.21 -1.08 0.00 0.00 179.45 177.53 1fo0 s GLU 55 N -4.56 3.35 -0.13 3.15 2.02 -1.26 -5.06 118.70 116.21 1fo0 s GLU 55 Ca -0.05 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1fo0 s GLU 55 Cb 0.15 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 1fo0 s GLU 55 CO 0.52 0.49 1.27 -0.80 0.02 0.00 0.00 175.26 176.77 1fo0 s ASN 56 N -3.39 6.95 0.48 -0.19 0.01 -1.26 -4.94 114.94 112.60 1fo0 s ASN 56 Ca 0.34 1.76 -0.24 0.00 -0.71 0.00 0.00 52.86 54.01 1fo0 s ASN 56 Cb -0.10 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.94 1fo0 s ASN 56 CO 0.28 -0.73 1.41 0.00 -1.51 0.00 0.00 177.10 176.55 1fo0 s ALA 57 N 3.19 3.13 -0.03 0.60 0.00 -1.26 -4.81 121.76 122.58 1fo0 s ALA 57 Ca 0.56 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1fo0 s ALA 57 Cb -0.23 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1fo0 s ALA 57 CO 0.17 -1.24 -0.00 0.99 0.00 0.00 0.00 175.76 175.68 1fo0 s THR 58 N -1.23 0.19 -0.19 0.00 2.01 -1.26 -2.02 115.64 113.14 1fo0 s THR 58 Ca 0.64 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.67 1fo0 s THR 58 Cb -0.43 -0.28 0.09 0.00 0.01 0.00 0.00 72.50 71.89 1fo0 s THR 58 CO 0.54 0.14 0.23 -0.69 -0.69 0.00 0.00 174.62 174.15 1fo0 s VAL 59 N 0.98 -0.34 0.00 3.82 1.01 -0.13 -5.04 120.40 120.69 1fo0 s VAL 59 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1fo0 s VAL 59 Cb -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1fo0 s VAL 59 CO -0.02 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1fo0 n GLY 60 N 5.32 3.60 1.18 4.51 0.00 -1.26 -1.39 105.19 117.16 1fo0 n GLY 60 Ca -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1fo0 n GLY 60 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fo0 n HIS 61 N 14.00 0.99 -4.00 1.61 -0.00 -1.26 -4.81 115.22 121.74 1fo0 n HIS 61 Ca 0.00 -0.42 -0.35 0.00 -0.00 0.00 0.00 57.72 56.95 1fo0 n HIS 61 Cb 0.00 -0.12 -0.10 0.00 -0.00 0.00 0.00 29.99 29.76 1fo0 n HIS 61 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1fo0 s TYR 62 N -1.58 3.20 0.03 -1.40 4.12 -0.48 -0.79 117.35 120.45 1fo0 s TYR 62 Ca 0.38 -0.03 0.03 0.00 0.02 0.00 0.00 57.07 57.47 1fo0 s TYR 62 Cb 0.23 -2.10 -0.02 0.00 -1.52 0.00 0.00 41.96 38.55 1fo0 s TYR 62 CO 0.21 0.06 -0.09 -1.12 0.02 0.00 0.00 175.55 174.63 1fo0 s SER 63 N 0.58 0.99 0.14 2.29 0.01 -0.23 -0.96 113.70 116.53 1fo0 s SER 63 Ca 0.03 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.97 1fo0 s SER 63 Cb -0.13 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1fo0 s SER 63 CO 0.01 -0.05 0.06 -0.76 0.41 0.00 0.00 173.24 172.92 1fo0 s LEU 64 N -0.96 3.59 -0.55 2.44 1.43 -0.85 0.10 118.68 123.86 1fo0 s LEU 64 Ca -0.03 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1fo0 s LEU 64 Cb -0.07 -2.24 0.15 0.00 0.03 0.00 0.00 46.19 44.06 1fo0 s LEU 64 CO 0.00 0.11 0.33 0.21 0.23 0.00 0.00 176.35 177.23 1fo0 s ASN 65 N -2.83 4.16 -0.37 2.29 2.47 -0.73 -4.50 114.94 115.43 1fo0 s ASN 65 Ca 0.29 -3.18 -0.21 0.00 0.42 0.00 0.00 52.86 50.17 1fo0 s ASN 65 Cb -0.10 -1.44 0.01 0.00 -1.45 0.00 0.00 41.25 38.27 1fo0 s ASN 65 CO 0.21 -0.19 0.69 0.12 -3.72 0.00 0.00 177.10 174.21 1fo0 s PHE 66 N -0.48 3.13 -0.82 0.43 5.36 -1.26 -2.83 117.98 121.50 1fo0 s PHE 66 Ca 0.20 0.39 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1fo0 s PHE 66 Cb -0.18 -3.26 0.27 0.00 -0.34 0.00 0.00 43.02 39.51 1fo0 s PHE 66 CO -0.06 -0.69 1.03 1.04 -1.46 0.00 0.00 175.22 175.08 1fo0 n GLN 67 N 6.21 3.28 -0.27 10.12 6.02 -0.22 -4.97 117.38 137.55 1fo0 n GLN 67 Ca 0.00 -4.62 -0.06 0.00 -0.01 0.00 0.00 57.00 52.32 1fo0 n GLN 67 Cb 0.48 -2.36 -0.04 0.00 1.02 0.00 0.00 30.24 29.33 1fo0 n GLN 67 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1fo0 n LYS 68 N 1.12 -0.26 -0.22 -1.09 3.00 -1.26 0.10 118.16 119.54 1fo0 n LYS 68 Ca 0.28 1.01 0.09 0.00 -0.00 0.00 0.00 58.31 59.69 1fo0 n LYS 68 Cb 0.38 -1.49 0.37 0.00 0.00 0.00 0.00 35.03 34.29 1fo0 n LYS 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1fo0 h PRO 69 N 0.00 0.69 -0.01 1.64 0.11 -1.96 -1.39 132.00 131.09 1fo0 h PRO 69 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1fo0 h PRO 69 Cb 0.30 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1fo0 h PRO 69 CO -0.64 0.46 -0.17 1.63 -0.21 0.00 0.00 178.00 179.07 1fo0 n LYS 70 N -4.51 1.28 -3.61 1.05 5.02 0.28 -4.94 118.16 112.72 1fo0 n LYS 70 Ca 0.14 -0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 55.40 1fo0 n LYS 70 Cb 0.35 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1fo0 n LYS 70 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1fo0 n SER 71 N -0.14 -2.40 -4.26 4.39 7.64 -0.19 -4.87 113.62 113.78 1fo0 n SER 71 Ca 0.14 -0.71 -0.28 0.00 1.01 0.00 0.00 58.87 59.03 1fo0 n SER 71 Cb 0.38 -4.55 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 1fo0 n SER 71 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1fo0 s SER 72 N -4.15 2.64 -0.41 6.43 0.15 -1.19 -1.62 113.70 115.55 1fo0 s SER 72 Ca 0.13 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.42 1fo0 s SER 72 Cb -0.06 -0.28 0.24 0.00 -1.71 0.00 0.00 66.02 64.21 1fo0 s SER 72 CO 0.77 0.26 0.55 0.00 1.20 0.00 0.00 173.24 176.02 1fo0 n ILE 73 N 2.38 -0.65 -2.34 6.45 0.13 0.10 -1.06 119.36 124.36 1fo0 n ILE 73 Ca -0.16 -3.62 -0.38 0.00 -1.10 0.00 0.00 62.75 57.50 1fo0 n ILE 73 Cb 0.52 -1.48 -0.02 0.00 -0.84 0.00 0.00 39.64 37.82 1fo0 n ILE 73 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1fo0 s GLY 74 N -1.10 2.82 -0.30 4.50 0.00 -1.13 -4.20 107.32 107.91 1fo0 s GLY 74 Ca 0.34 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 45.87 1fo0 s GLY 74 CO -0.13 1.38 0.15 -2.27 0.00 0.00 0.00 173.10 172.23 1fo0 s LEU 75 N -2.63 4.00 -0.34 0.66 2.96 0.11 -1.77 118.68 121.67 1fo0 s LEU 75 Ca 0.59 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 1fo0 s LEU 75 Cb -0.28 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.40 1fo0 s LEU 75 CO 0.35 -0.14 0.17 -0.63 -1.32 0.00 0.00 176.35 174.78 1fo0 s ILE 76 N 1.65 4.52 -0.43 6.68 1.01 0.11 -0.06 121.20 134.68 1fo0 s ILE 76 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1fo0 s ILE 76 Cb -0.16 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1fo0 s ILE 76 CO 0.07 -0.06 0.32 -0.63 0.00 0.00 0.00 174.94 174.64 1fo0 s ILE 77 N 1.57 5.25 -0.03 2.92 1.01 0.83 -1.07 121.20 131.69 1fo0 s ILE 77 Ca 0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 1fo0 s ILE 77 Cb -0.18 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1fo0 s ILE 77 CO 0.06 -0.38 0.85 -0.89 0.00 0.00 0.00 174.94 174.58 1fo0 s THR 78 N 1.67 4.94 -0.27 2.92 2.01 0.03 -1.51 115.64 125.42 1fo0 s THR 78 Ca 0.05 1.78 -0.17 0.00 0.31 0.00 0.00 61.69 63.65 1fo0 s THR 78 Cb -0.20 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.14 1fo0 s THR 78 CO 0.09 0.21 0.34 0.00 -0.69 0.00 0.00 174.62 174.57 1fo0 n ALA 79 N 3.79 -2.45 -1.78 7.40 0.00 -1.09 -4.87 120.51 121.51 1fo0 n ALA 79 Ca 0.02 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1fo0 n ALA 79 Cb 0.51 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1fo0 n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fo0 s THR 80 N -1.48 2.92 0.42 0.00 2.01 0.52 -4.67 115.64 115.36 1fo0 s THR 80 Ca 0.18 0.92 0.07 0.00 0.31 0.00 0.00 61.69 63.17 1fo0 s THR 80 Cb -0.03 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1fo0 s THR 80 CO 0.54 0.21 0.27 -1.10 -0.69 0.00 0.00 174.62 173.85 1fo0 s GLN 81 N -1.59 2.34 0.46 4.92 -0.21 -1.26 0.13 119.66 124.46 1fo0 s GLN 81 Ca 0.48 -1.74 0.21 0.00 0.02 0.00 0.00 55.36 54.34 1fo0 s GLN 81 Cb -0.38 -2.14 1.14 0.00 1.00 0.00 0.00 33.01 32.64 1fo0 s GLN 81 CO 0.49 -0.17 1.97 0.82 -2.12 0.00 0.00 175.29 176.28 1fo0 h ILE 82 N 1.24 0.83 0.00 1.08 2.04 -1.92 -1.85 117.51 118.93 1fo0 h ILE 82 Ca -0.42 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1fo0 h ILE 82 Cb 1.26 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1fo0 h ILE 82 CO 0.65 0.20 -0.03 -0.33 0.00 0.00 0.00 178.15 178.64 1fo0 h GLU 83 N 0.00 0.00 0.00 2.37 5.08 -1.94 -2.64 114.58 117.45 1fo0 h GLU 83 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fo0 h GLU 83 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1fo0 h GLU 83 CO 0.03 0.03 0.00 -0.25 -1.00 0.00 0.00 179.01 177.81 1fo0 n ASP 84 N -3.81 0.00 -4.66 1.42 8.00 -0.70 -4.82 116.55 111.98 1fo0 n ASP 84 Ca -0.03 -1.21 -0.43 0.00 0.71 0.00 0.00 54.79 53.83 1fo0 n ASP 84 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1fo0 n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fo0 s SER 85 N -1.79 6.86 -0.07 -2.24 0.01 -1.00 -4.89 113.70 110.58 1fo0 s SER 85 Ca 0.38 1.88 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 1fo0 s SER 85 Cb 0.17 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.96 1fo0 s SER 85 CO 0.29 -0.80 1.35 0.00 0.41 0.00 0.00 173.24 174.48 1fo0 s ALA 86 N 3.56 -2.69 -0.20 1.44 0.00 -0.89 -4.80 121.76 118.19 1fo0 s ALA 86 Ca 0.61 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1fo0 s ALA 86 Cb -0.26 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1fo0 s ALA 86 CO 0.20 -1.17 0.40 0.08 0.00 0.00 0.00 175.76 175.27 1fo0 s VAL 87 N -2.01 5.19 -0.23 0.00 1.01 -0.65 -1.20 120.40 122.52 1fo0 s VAL 87 Ca 0.31 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1fo0 s VAL 87 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1fo0 s VAL 87 CO -0.02 0.25 0.18 -0.31 0.00 0.00 0.00 175.10 175.19 1fo0 s TYR 88 N 1.33 3.34 -0.06 5.22 2.02 -0.60 0.17 117.35 128.77 1fo0 s TYR 88 Ca 0.19 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.21 1fo0 s TYR 88 Cb -0.15 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 1fo0 s TYR 88 CO 0.08 0.10 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.96 1fo0 s PHE 89 N 0.94 2.72 -0.09 2.71 0.40 0.59 -1.52 117.98 123.74 1fo0 s PHE 89 Ca 0.09 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1fo0 s PHE 89 Cb -0.13 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1fo0 s PHE 89 CO 0.04 0.16 -0.08 0.00 0.70 0.00 0.00 175.22 176.04 1fo0 s ALA 91 N -0.48 -0.05 -0.00 0.00 0.00 0.74 -0.63 121.76 121.34 1fo0 s ALA 91 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1fo0 s ALA 91 Cb -0.12 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1fo0 s ALA 91 CO 0.02 -0.34 -0.02 1.41 0.00 0.00 0.00 175.76 176.83 1fo0 s MET 92 N -2.80 0.20 0.32 0.00 1.75 -0.53 -0.12 119.30 118.12 1fo0 s MET 92 Ca -0.03 -0.09 -0.28 0.00 -1.25 0.00 0.00 55.69 54.03 1fo0 s MET 92 Cb -0.00 -0.19 -0.10 0.00 2.84 0.00 0.00 34.83 37.38 1fo0 s MET 92 CO -0.05 0.05 1.18 1.03 -0.65 0.00 0.00 175.02 176.57 1fo0 s ARG 93 N -0.07 4.45 -0.43 4.11 1.81 -0.93 0.79 118.95 128.68 1fo0 s ARG 93 Ca 0.01 1.94 0.08 0.00 -1.72 0.00 0.00 55.73 56.04 1fo0 s ARG 93 Cb -0.01 -3.06 0.33 0.00 -0.45 0.00 0.00 34.95 31.77 1fo0 s ARG 93 CO -0.00 -0.01 0.98 0.41 -0.68 0.00 0.00 175.30 176.01 1fo0 n GLY 95 N 0.95 1.70 3.79 -3.53 0.00 -0.45 -4.78 105.19 102.87 1fo0 n GLY 95 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1fo0 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fo0 s ASP 96 N -1.70 5.66 -0.16 1.61 1.01 -1.26 -4.91 116.67 116.91 1fo0 s ASP 96 Ca 0.28 1.91 -0.34 0.00 0.71 0.00 0.00 52.55 55.11 1fo0 s ASP 96 Cb 0.32 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.84 1fo0 s ASP 96 CO -0.06 -1.25 1.21 -0.72 0.21 0.00 0.00 175.17 174.55 1fo0 s TYR 97 N -2.31 -0.13 -1.40 4.23 -0.85 -1.26 -4.97 117.35 110.66 1fo0 s TYR 97 Ca 0.66 0.07 0.00 0.00 -0.52 0.00 0.00 57.07 57.27 1fo0 s TYR 97 Cb -0.18 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.68 1fo0 s TYR 97 CO 0.36 -0.23 0.00 0.41 -1.52 0.00 0.00 175.55 174.57 1fo0 n GLY 98 N -0.14 1.29 1.13 5.49 0.00 -1.26 -1.97 105.19 109.73 1fo0 n GLY 98 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1fo0 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fo0 n GLY 99 N -0.20 0.90 0.21 -0.02 0.00 -1.26 -5.00 105.19 99.82 1fo0 n GLY 99 Ca -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1fo0 n GLY 99 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fo0 h SER 100 N 0.00 0.17 0.00 1.61 4.64 -1.77 -3.47 113.55 114.73 1fo0 h SER 100 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1fo0 h SER 100 Cb 0.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1fo0 h SER 100 CO 0.00 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1fo0 n GLY 101 N -0.47 1.36 2.56 -0.77 0.00 -1.26 -4.21 105.19 102.39 1fo0 n GLY 101 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1fo0 n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fo0 n ASN 102 N 2.98 2.16 -4.61 1.61 5.03 -1.26 -5.00 115.26 116.17 1fo0 n ASN 102 Ca 0.00 -3.01 -0.41 0.00 0.87 0.00 0.00 54.58 52.03 1fo0 n ASN 102 Cb 0.00 -0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 38.17 1fo0 n ASN 102 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1fo0 s LYS 103 N -3.11 3.97 -0.02 3.52 2.20 -1.26 -5.05 119.74 119.99 1fo0 s LYS 103 Ca 0.34 0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1fo0 s LYS 103 Cb 0.42 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1fo0 s LYS 103 CO -0.03 -0.57 0.15 -0.51 -0.36 0.00 0.00 175.35 174.02 1fo0 s LEU 104 N 2.69 4.22 -0.19 5.43 1.43 -1.26 -1.34 118.68 129.65 1fo0 s LEU 104 Ca 0.28 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1fo0 s LEU 104 Cb -0.15 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1fo0 s LEU 104 CO 0.11 0.28 0.06 -0.63 0.23 0.00 0.00 176.35 176.40 1fo0 s ILE 105 N -1.26 4.67 -0.03 -0.59 1.01 0.24 -4.87 121.20 120.37 1fo0 s ILE 105 Ca 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1fo0 s ILE 105 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1fo0 s ILE 105 CO 0.16 0.45 -0.02 -0.36 0.00 0.00 0.00 174.94 175.17 1fo0 s PHE 106 N 0.52 3.05 1.01 3.97 0.40 -1.26 -1.45 117.98 124.22 1fo0 s PHE 106 Ca 0.03 0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.28 1fo0 s PHE 106 Cb -0.13 -1.69 0.20 0.00 0.51 0.00 0.00 43.02 41.91 1fo0 s PHE 106 CO 0.01 0.44 1.21 0.20 0.70 0.00 0.00 175.22 177.78 1fo0 s GLY 107 N -1.31 1.66 0.00 4.36 0.00 0.19 -4.91 107.32 107.31 1fo0 s GLY 107 Ca 0.17 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.19 1fo0 s GLY 107 CO 0.07 -0.20 1.77 -1.30 0.00 0.00 0.00 173.10 173.44 1fo0 n THR 108 N -4.03 0.33 0.00 0.90 -2.24 -1.26 -4.76 114.28 103.23 1fo0 n THR 108 Ca 0.12 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1fo0 n THR 108 Cb 0.59 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1fo0 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fo0 n GLY 109 N 0.88 -1.24 3.01 3.38 0.00 -1.26 -5.02 105.19 104.93 1fo0 n GLY 109 Ca 0.08 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1fo0 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fo0 s THR 110 N -2.51 1.43 0.11 2.61 2.01 -0.57 -4.74 115.64 113.99 1fo0 s THR 110 Ca 0.00 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 1fo0 s THR 110 Cb 0.00 -1.35 -0.06 0.00 0.01 0.00 0.00 72.50 71.10 1fo0 s THR 110 CO 0.00 0.43 1.02 -0.22 -0.69 0.00 0.00 174.62 175.17 1fo0 s LEU 111 N 1.33 4.46 -0.06 4.42 2.96 -0.41 -1.56 118.68 129.83 1fo0 s LEU 111 Ca 0.01 1.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.84 1fo0 s LEU 111 Cb -0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1fo0 s LEU 111 CO -0.07 -0.17 -0.24 -0.22 -1.32 0.00 0.00 176.35 174.33 1fo0 s LEU 112 N 0.16 2.05 0.04 -0.68 2.96 -0.34 0.14 118.68 123.01 1fo0 s LEU 112 Ca 0.49 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.00 1fo0 s LEU 112 Cb -0.25 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1fo0 s LEU 112 CO 0.31 0.22 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.88 1fo0 s SER 113 N -0.09 2.94 -0.19 3.68 0.01 0.25 -2.10 113.70 118.21 1fo0 s SER 113 Ca -0.05 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1fo0 s SER 113 Cb -0.14 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.87 1fo0 s SER 113 CO 0.04 0.23 -0.07 -0.69 0.41 0.00 0.00 173.24 173.16 1fo0 s VAL 114 N -0.79 1.36 0.08 3.43 1.01 -1.26 -1.27 120.40 122.96 1fo0 s VAL 114 Ca 0.10 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1fo0 s VAL 114 Cb -0.10 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1fo0 s VAL 114 CO 0.02 0.10 0.51 -0.75 0.00 0.00 0.00 175.10 174.97 1fo0 s LYS 115 N 1.51 4.02 0.00 2.72 2.20 -0.56 -4.83 119.74 124.80 1fo0 s LYS 115 Ca -0.01 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1fo0 s LYS 115 Cb -0.16 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1fo0 s LYS 115 CO -0.08 0.59 0.30 -0.35 -0.36 0.00 0.00 175.35 175.46