#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hu9 s MET 2 N 0.00 4.26 -0.12 2.12 -2.45 -1.26 -4.89 119.30 116.96 2hu9 s MET 2 Ca 0.00 1.05 -0.04 0.00 -1.25 0.00 0.00 55.69 55.46 2hu9 s MET 2 Cb 0.00 -2.43 -0.03 0.00 1.25 0.00 0.00 34.83 33.62 2hu9 s MET 2 CO 0.00 0.11 0.01 1.03 1.05 0.00 0.00 175.02 177.22 2hu9 s ARG 3 N -2.78 3.37 0.18 4.11 0.52 -1.26 -0.56 118.95 122.53 2hu9 s ARG 3 Ca 0.56 -0.42 -0.33 0.00 -0.52 0.00 0.00 55.73 55.02 2hu9 s ARG 3 Cb -0.12 -2.92 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 2hu9 s ARG 3 CO 0.17 0.50 1.44 0.00 0.02 0.00 0.00 175.30 177.43 2hu9 h PRO 5 N 4.80 0.00 0.00 0.00 0.13 -1.96 -1.28 132.00 133.69 2hu9 h PRO 5 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 2hu9 h PRO 5 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2hu9 h PRO 5 CO 0.80 0.00 -1.12 0.39 -0.23 0.00 0.00 178.00 177.84 2hu9 n GLU 6 N -2.52 0.52 0.00 0.86 -0.58 -1.26 -4.71 120.64 112.95 2hu9 n GLU 6 Ca 0.02 0.43 0.09 0.00 -0.42 0.00 0.00 57.16 57.28 2hu9 n GLU 6 Cb 0.25 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2hu9 n GLU 6 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hu9 n SER 8 N -0.21 0.00 -4.75 0.00 7.64 -0.48 -4.95 113.62 110.86 2hu9 n SER 8 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 2hu9 n SER 8 Cb 0.38 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 2hu9 n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hu9 s THR 9 N -2.81 2.81 0.11 0.44 2.01 -1.26 -4.28 115.64 112.66 2hu9 s THR 9 Ca 0.00 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 2hu9 s THR 9 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 2hu9 s THR 9 CO 0.00 0.12 1.55 -1.61 -0.69 0.00 0.00 174.62 173.99 2hu9 s GLU 10 N -0.63 4.23 0.36 4.92 2.02 -1.26 -0.91 118.70 127.44 2hu9 s GLU 10 Ca 0.56 2.26 0.04 0.00 0.02 0.00 0.00 54.97 57.86 2hu9 s GLU 10 Cb -0.40 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 2hu9 s GLU 10 CO 0.44 -0.62 0.53 0.20 0.02 0.00 0.00 175.26 175.83 2hu9 s GLY 11 N 1.65 1.53 -0.04 -1.39 0.00 0.28 -4.80 107.32 104.55 2hu9 s GLY 11 Ca 0.70 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2hu9 s GLY 11 CO 0.31 -1.17 -0.03 0.66 0.00 0.00 0.00 173.10 172.87 2hu9 s TRP 12 N -2.29 3.01 0.30 1.90 -2.14 -0.94 -2.22 118.94 116.55 2hu9 s TRP 12 Ca 0.44 0.06 -0.30 0.00 2.66 0.00 0.00 56.10 58.97 2hu9 s TRP 12 Cb -0.10 -1.69 -0.11 0.00 -3.10 0.00 0.00 33.47 28.47 2hu9 s TRP 12 CO 0.33 0.41 1.54 0.50 -2.66 0.00 0.00 176.95 177.07 2hu9 s ARG 13 N -1.18 4.16 0.03 3.25 3.52 -1.26 -0.57 118.95 126.89 2hu9 s ARG 13 Ca 0.16 2.51 0.05 0.00 -0.13 0.00 0.00 55.73 58.32 2hu9 s ARG 13 Cb -0.11 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2hu9 s ARG 13 CO 0.05 -0.56 -0.15 0.14 -0.81 0.00 0.00 175.30 173.98 2hu9 s VAL 14 N -0.20 1.18 0.67 7.11 -7.23 0.66 -4.86 120.40 117.72 2hu9 s VAL 14 Ca 0.60 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.76 2hu9 s VAL 14 Cb -0.46 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 2hu9 s VAL 14 CO 0.49 0.12 1.05 -0.76 -0.31 0.00 0.00 175.10 175.69 2hu9 s LEU 15 N -0.91 3.15 0.45 1.32 1.43 -1.26 -1.51 118.68 121.34 2hu9 s LEU 15 Ca 0.03 1.50 0.19 0.00 -1.03 0.00 0.00 54.13 54.83 2hu9 s LEU 15 Cb -0.07 -4.44 1.15 0.00 0.03 0.00 0.00 46.19 42.85 2hu9 s LEU 15 CO 0.01 -1.21 1.90 -0.65 0.23 0.00 0.00 176.35 176.63 2hu9 h PRO 16 N -0.56 0.31 -0.50 1.29 0.11 -1.95 -1.59 132.00 129.12 2hu9 h PRO 16 Ca -0.44 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.73 2hu9 h PRO 16 Cb 1.21 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2hu9 h PRO 16 CO 0.59 0.21 0.15 1.25 -0.21 0.00 0.00 178.00 179.99 2hu9 h LEU 17 N 0.32 0.10 -0.03 2.35 5.85 -1.95 0.10 115.31 122.06 2hu9 h LEU 17 Ca 0.40 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 2hu9 h LEU 17 Cb 1.07 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2hu9 h LEU 17 CO -0.11 0.08 -0.01 0.74 -0.34 0.00 0.00 178.44 178.80 2hu9 h THR 18 N 0.30 1.31 -0.38 1.05 2.02 -1.48 -2.91 112.91 112.81 2hu9 h THR 18 Ca 0.25 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.51 2hu9 h THR 18 Cb 0.30 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2hu9 h THR 18 CO -0.28 0.25 0.24 0.58 0.37 0.00 0.00 175.52 176.68 2hu9 h VAL 19 N -0.32 1.07 0.00 3.16 2.07 -1.16 -1.37 116.25 119.70 2hu9 h VAL 19 Ca 0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2hu9 h VAL 19 Cb 0.41 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2hu9 h VAL 19 CO 0.00 0.09 -0.05 1.23 0.02 0.00 0.00 177.57 178.86 2hu9 h GLY 20 N 0.49 0.00 2.00 2.17 0.00 -0.84 -0.92 103.07 105.96 2hu9 h GLY 20 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2hu9 h GLY 20 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.49 2hu9 h ALA 21 N 1.95 1.00 0.00 3.60 0.00 -1.04 -3.36 119.26 121.41 2hu9 h ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hu9 h ALA 21 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hu9 h ALA 21 CO 0.01 0.00 -0.86 0.72 0.00 0.00 0.00 179.25 179.11 2hu9 n HIS 22 N -2.33 0.00 -3.20 0.00 8.25 -0.78 -4.92 115.22 112.23 2hu9 n HIS 22 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 2hu9 n HIS 22 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 2hu9 n HIS 22 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2hu9 s VAL 23 N -1.75 4.73 0.26 1.59 1.01 -0.42 -0.54 120.40 125.28 2hu9 s VAL 23 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 2hu9 s VAL 23 Cb 0.00 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 2hu9 s VAL 23 CO 0.00 -0.07 1.22 0.29 0.00 0.00 0.00 175.10 176.54 2hu9 n LYS 24 N -0.08 1.69 0.29 2.72 5.02 -0.57 -4.56 118.16 122.67 2hu9 n LYS 24 Ca 0.01 0.60 0.16 0.00 -2.02 0.00 0.00 58.31 57.06 2hu9 n LYS 24 Cb 0.53 -2.12 0.86 0.00 -0.02 0.00 0.00 35.03 34.27 2hu9 n LYS 24 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2hu9 h GLU 25 N 3.06 0.00 0.00 1.97 3.07 -1.92 0.60 114.58 121.37 2hu9 h GLU 25 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2hu9 h GLU 25 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2hu9 h GLU 25 CO 0.67 0.06 0.00 0.41 -1.40 0.00 0.00 179.01 178.75 2hu9 n GLY 26 N -0.79 -0.99 0.81 -3.84 0.00 -1.26 -2.20 105.19 96.92 2hu9 n GLY 26 Ca -0.02 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2hu9 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hu9 n LEU 27 N -2.24 2.87 -0.28 0.99 4.77 0.20 -4.62 117.00 118.70 2hu9 n LEU 27 Ca -0.00 -1.47 0.04 0.00 -0.03 0.00 0.00 56.01 54.55 2hu9 n LEU 27 Cb 0.10 -0.17 0.26 0.00 -2.33 0.00 0.00 43.42 41.28 2hu9 n LEU 27 CO 0.13 0.63 1.24 -0.50 -1.33 0.00 0.00 177.39 177.56 2hu9 h TRP 28 N 3.19 0.99 0.00 -1.77 6.55 -1.55 -1.36 115.95 122.00 2hu9 h TRP 28 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2hu9 h TRP 28 Cb 0.77 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 2hu9 h TRP 28 CO 0.17 0.52 0.00 0.66 -1.05 0.00 0.00 178.44 178.74 2hu9 h SER 29 N 0.98 0.00 0.77 -3.49 4.64 -1.82 -0.93 113.55 113.69 2hu9 h SER 29 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2hu9 h SER 29 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2hu9 h SER 29 CO -0.13 0.00 -0.22 0.29 -0.87 0.00 0.00 176.83 175.90 2hu9 n LYS 30 N -2.57 0.01 -2.82 4.77 5.02 -0.51 -4.71 118.16 117.35 2hu9 n LYS 30 Ca -0.01 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 2hu9 n LYS 30 Cb 0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2hu9 n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hu9 s ILE 31 N -2.99 4.26 0.00 -0.18 1.01 -0.36 -4.84 121.20 118.10 2hu9 s ILE 31 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2hu9 s ILE 31 Cb 0.18 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2hu9 s ILE 31 CO 0.60 -1.45 0.73 0.29 0.00 0.00 0.00 174.94 175.11 2hu9 n LYS 32 N 7.88 1.28 -3.29 2.79 5.02 -1.26 -5.07 118.16 125.51 2hu9 n LYS 32 Ca -0.02 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 2hu9 n LYS 32 Cb 0.46 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2hu9 n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hu9 n GLY 33 N -0.26 -0.96 3.74 0.72 0.00 -1.26 -5.14 105.19 102.03 2hu9 n GLY 33 Ca 0.00 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 2hu9 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hu9 s ASP 34 N -4.00 4.75 0.52 1.61 1.01 -1.26 -4.34 116.67 114.96 2hu9 s ASP 34 Ca 0.00 2.42 0.01 0.00 0.71 0.00 0.00 52.55 55.69 2hu9 s ASP 34 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2hu9 s ASP 34 CO 0.00 -1.89 0.01 -0.36 0.21 0.00 0.00 175.17 173.13 2hu9 s PHE 35 N -1.69 1.81 -0.00 4.23 0.08 -0.57 -4.79 117.98 117.05 2hu9 s PHE 35 Ca 0.77 -0.99 0.05 0.00 0.12 0.00 0.00 56.93 56.89 2hu9 s PHE 35 Cb -0.31 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2hu9 s PHE 35 CO 0.38 0.20 -0.17 0.71 -0.10 0.00 0.00 175.22 176.24 2hu9 s TYR 36 N -2.90 1.55 -0.14 0.36 2.02 0.74 -0.25 117.35 118.74 2hu9 s TYR 36 Ca 0.04 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.27 2hu9 s TYR 36 Cb 0.01 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2hu9 s TYR 36 CO 0.02 -0.01 0.39 0.12 -1.57 0.00 0.00 175.55 174.50 2hu9 s PHE 37 N -0.47 3.48 -0.34 2.71 5.36 0.26 -0.83 117.98 128.15 2hu9 s PHE 37 Ca 0.06 0.74 -0.17 0.00 -0.96 0.00 0.00 56.93 56.61 2hu9 s PHE 37 Cb -0.07 -2.46 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 2hu9 s PHE 37 CO -0.00 0.19 0.44 0.00 -1.46 0.00 0.00 175.22 174.39 2hu9 n SER 39 N 5.56 2.33 -4.71 0.00 3.41 -1.26 -4.71 113.62 114.24 2hu9 n SER 39 Ca -0.07 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 2hu9 n SER 39 Cb 0.49 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2hu9 n SER 39 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hu9 s LEU 40 N -1.39 4.36 0.23 1.04 2.96 -1.26 -4.93 118.68 119.70 2hu9 s LEU 40 Ca 0.33 1.79 -0.07 0.00 -0.22 0.00 0.00 54.13 55.97 2hu9 s LEU 40 Cb 0.18 -3.57 0.28 0.00 0.50 0.00 0.00 46.19 43.58 2hu9 s LEU 40 CO 0.26 -0.36 1.86 -0.33 -1.32 0.00 0.00 176.35 176.46 2hu9 h GLU 41 N 6.83 0.94 0.00 1.98 3.07 -1.92 -2.78 114.58 122.70 2hu9 h GLU 41 Ca -0.41 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2hu9 h GLU 41 Cb 1.21 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2hu9 h GLU 41 CO 0.78 0.62 0.00 -1.13 -1.40 0.00 0.00 179.01 177.88 2hu9 n SER 42 N -4.61 0.67 -4.75 1.42 3.41 -1.26 -4.46 113.62 104.04 2hu9 n SER 42 Ca 0.11 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.91 2hu9 n SER 42 Cb 0.13 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.28 2hu9 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hu9 h GLU 44 N 6.09 0.00 -6.78 0.00 5.08 -1.89 -3.45 114.58 113.63 2hu9 h GLU 44 Ca -0.44 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.41 2hu9 h GLU 44 Cb 1.19 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.47 2hu9 h GLU 44 CO 0.72 0.16 0.55 0.08 -1.00 0.00 0.00 179.01 179.51 2hu9 s VAL 45 N -3.89 3.29 -0.07 3.13 1.01 -1.26 -0.84 120.40 121.76 2hu9 s VAL 45 Ca -0.01 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 2hu9 s VAL 45 Cb 0.11 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2hu9 s VAL 45 CO 0.60 0.26 -0.14 0.52 0.00 0.00 0.00 175.10 176.34 2hu9 n VAL 46 N 1.49 0.92 -5.17 2.92 0.31 -0.42 -4.58 118.33 113.80 2hu9 n VAL 46 Ca 0.01 0.03 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 2hu9 n VAL 46 Cb 0.44 -1.75 -0.15 0.00 -0.91 0.00 0.00 33.84 31.46 2hu9 n VAL 46 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2hu9 s TYR 47 N -2.27 2.37 0.02 3.52 2.02 -0.94 -0.38 117.35 121.69 2hu9 s TYR 47 Ca -0.14 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.06 2hu9 s TYR 47 Cb 0.04 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2hu9 s TYR 47 CO 0.19 0.03 0.20 -0.59 -1.57 0.00 0.00 175.55 173.80 2hu9 s PHE 48 N -0.67 0.01 0.09 2.71 -0.12 -0.01 -0.31 117.98 119.68 2hu9 s PHE 48 Ca 0.11 -0.14 -0.01 0.00 -0.05 0.00 0.00 56.93 56.84 2hu9 s PHE 48 Cb -0.10 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 2hu9 s PHE 48 CO -0.00 -0.38 0.14 0.27 -0.05 0.00 0.00 175.22 175.20 2hu9 n ASN 49 N 1.02 -0.40 -0.12 1.98 0.23 -0.23 -0.19 115.26 117.56 2hu9 n ASN 49 Ca -0.21 -1.47 0.18 0.00 -0.53 0.00 0.00 54.58 52.56 2hu9 n ASN 49 Cb 0.57 0.72 0.58 0.00 -2.08 0.00 0.00 39.78 39.57 2hu9 n ASN 49 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2hu9 h GLU 50 N 0.00 0.25 0.00 -3.83 4.81 -2.01 -3.23 114.58 110.57 2hu9 h GLU 50 Ca -0.07 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.77 2hu9 h GLU 50 Cb 0.31 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 2hu9 h GLU 50 CO 0.10 0.16 -2.36 1.04 -0.73 0.00 0.00 179.01 177.22 2hu9 n GLN 51 N -4.43 0.68 -3.77 1.92 3.00 -1.26 -5.04 117.38 108.47 2hu9 n GLN 51 Ca 0.14 0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2hu9 n GLN 51 Cb 0.60 -1.54 -0.10 0.00 0.00 0.00 0.00 30.24 29.20 2hu9 n GLN 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2hu9 s THR 52 N -2.51 0.03 -0.08 5.09 2.01 -1.22 -5.15 115.64 113.81 2hu9 s THR 52 Ca -0.17 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2hu9 s THR 52 Cb 0.07 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.09 2hu9 s THR 52 CO 0.76 -0.14 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 2hu9 s VAL 53 N -0.55 1.54 -0.26 3.82 1.01 -1.26 -1.06 120.40 123.63 2hu9 s VAL 53 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2hu9 s VAL 53 Cb -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2hu9 s VAL 53 CO 0.02 0.45 0.06 -0.36 0.00 0.00 0.00 175.10 175.26 2hu9 s PHE 54 N 0.53 3.09 0.68 5.22 0.08 0.57 -5.01 117.98 123.15 2hu9 s PHE 54 Ca -0.16 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.14 2hu9 s PHE 54 Cb -0.17 -2.23 0.08 0.00 -0.57 0.00 0.00 43.02 40.14 2hu9 s PHE 54 CO 0.06 -0.47 0.96 1.03 -0.10 0.00 0.00 175.22 176.70 2hu9 s ARG 55 N 1.55 2.01 0.33 0.44 0.52 -1.26 -1.30 118.95 121.24 2hu9 s ARG 55 Ca 0.05 -0.70 0.11 0.00 -0.52 0.00 0.00 55.73 54.67 2hu9 s ARG 55 Cb -0.16 -2.29 0.92 0.00 0.52 0.00 0.00 34.95 33.94 2hu9 s ARG 55 CO 0.02 -1.24 1.74 0.87 0.02 0.00 0.00 175.30 176.71 2hu9 h LYS 56 N -0.46 0.54 0.00 3.54 1.57 -1.31 0.07 116.57 120.52 2hu9 h LYS 56 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2hu9 h LYS 56 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hu9 h LYS 56 CO 0.50 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 180.14 2hu9 n GLY 57 N -1.34 -1.25 0.19 3.86 0.00 -1.26 -2.06 105.19 103.34 2hu9 n GLY 57 Ca 0.27 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2hu9 n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hu9 n GLU 58 N -2.13 0.56 -3.56 1.61 1.02 0.01 -4.90 120.64 113.26 2hu9 n GLU 58 Ca 0.02 -0.39 -0.35 0.00 -0.02 0.00 0.00 57.16 56.42 2hu9 n GLU 58 Cb 0.23 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2hu9 n GLU 58 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hu9 s LEU 59 N -2.71 4.38 0.34 -4.62 1.02 -0.87 -1.52 118.68 114.69 2hu9 s LEU 59 Ca 0.17 0.84 0.19 0.00 0.02 0.00 0.00 54.13 55.35 2hu9 s LEU 59 Cb 0.18 -2.88 0.18 0.00 0.02 0.00 0.00 46.19 43.68 2hu9 s LEU 59 CO 0.64 0.21 1.46 0.07 0.02 0.00 0.00 176.35 178.75 2hu9 h LYS 60 N 3.96 0.00 -6.08 1.70 2.10 -1.06 -3.44 116.57 113.75 2hu9 h LYS 60 Ca -0.50 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.55 2hu9 h LYS 60 Cb 1.20 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.48 2hu9 h LYS 60 CO 0.65 0.22 -0.18 0.99 -2.00 0.00 0.00 179.45 179.14 2hu9 s THR 61 N -3.10 4.98 -0.13 0.07 2.01 -1.21 -5.06 115.64 113.20 2hu9 s THR 61 Ca 0.05 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 2hu9 s THR 61 Cb 0.07 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2hu9 s THR 61 CO 0.72 0.51 1.07 -0.13 -0.69 0.00 0.00 174.62 176.10 2hu9 s ARG 62 N -1.26 4.35 -0.40 4.92 0.52 -1.26 -5.02 118.95 120.80 2hu9 s ARG 62 Ca 0.27 1.46 -0.19 0.00 -0.52 0.00 0.00 55.73 56.75 2hu9 s ARG 62 Cb -0.17 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.73 2hu9 s ARG 62 CO 0.15 -0.45 0.53 0.08 0.02 0.00 0.00 175.30 175.63 2hu9 s VAL 63 N 2.47 4.98 0.19 3.52 1.01 -1.26 -4.70 120.40 126.60 2hu9 s VAL 63 Ca 0.49 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 2hu9 s VAL 63 Cb -0.19 -4.06 0.12 0.00 0.00 0.00 0.00 36.38 32.25 2hu9 s VAL 63 CO 0.15 -0.39 1.70 1.23 0.00 0.00 0.00 175.10 177.80 2hu9 h GLY 64 N 9.26 0.58 2.00 4.51 0.00 -1.90 -0.47 103.07 117.04 2hu9 h GLY 64 Ca -0.27 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2hu9 h GLY 64 CO 0.81 -0.10 -0.06 -0.39 0.00 0.00 0.00 176.54 176.80 2hu9 h VAL 65 N 0.19 0.27 -0.00 4.60 -1.51 -1.94 -2.20 116.25 115.66 2hu9 h VAL 65 Ca 0.25 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2hu9 h VAL 65 Cb 0.36 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2hu9 h VAL 65 CO -0.36 0.06 -0.45 0.29 -1.23 0.00 0.00 177.57 175.88 2hu9 n LYS 66 N -3.34 0.27 -3.70 5.19 4.76 -0.20 -4.38 118.16 116.75 2hu9 n LYS 66 Ca -0.01 -0.16 -0.36 0.00 -2.87 0.00 0.00 58.31 54.91 2hu9 n LYS 66 Cb 0.23 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 2hu9 n LYS 66 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2hu9 s GLU 67 N -2.84 4.03 0.22 1.97 0.41 -0.83 -4.97 118.70 116.69 2hu9 s GLU 67 Ca 0.15 -0.10 0.18 0.00 -0.41 0.00 0.00 54.97 54.79 2hu9 s GLU 67 Cb 0.18 -3.36 0.03 0.00 -1.78 0.00 0.00 34.13 29.20 2hu9 s GLU 67 CO 0.65 0.41 1.21 0.00 -0.49 0.00 0.00 175.26 177.03 2hu9 h ARG 68 N 6.22 0.00 -6.03 1.61 -0.00 -1.91 -3.47 114.38 110.79 2hu9 h ARG 68 Ca -0.44 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.48 2hu9 h ARG 68 Cb 1.17 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 30.99 2hu9 h ARG 68 CO 0.71 0.28 -0.76 -1.83 0.00 0.00 0.00 179.97 178.37 2hu9 s GLU 69 N -3.06 1.50 0.63 0.04 1.03 -1.26 -5.12 118.70 112.46 2hu9 s GLU 69 Ca 0.02 -1.64 -0.18 0.00 0.03 0.00 0.00 54.97 53.20 2hu9 s GLU 69 Cb 0.08 -1.53 -0.02 0.00 -0.80 0.00 0.00 34.13 31.86 2hu9 s GLU 69 CO 0.76 0.29 1.21 -1.21 -1.33 0.00 0.00 175.26 174.98 2hu9 s GLU 70 N -3.34 2.74 0.28 -4.83 0.41 -1.26 -4.22 118.70 108.49 2hu9 s GLU 70 Ca 0.25 1.81 -0.29 0.00 -0.41 0.00 0.00 54.97 56.32 2hu9 s GLU 70 Cb -0.04 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.31 2hu9 s GLU 70 CO 0.11 -1.38 1.16 -1.25 -0.49 0.00 0.00 175.26 173.41 2hu9 s PRO 71 N -3.51 4.55 -0.58 0.39 0.04 -1.26 -5.15 135.00 129.48 2hu9 s PRO 71 Ca 0.77 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.77 2hu9 s PRO 71 Cb -0.30 -3.16 0.15 0.00 0.04 0.00 0.00 34.50 31.23 2hu9 s PRO 71 CO 0.37 0.08 0.37 0.15 0.04 0.00 0.00 177.00 178.00 2hu9 s LYS 72 N -1.41 2.02 0.37 4.56 1.02 -1.26 -4.95 119.74 120.08 2hu9 s LYS 72 Ca 0.46 -2.82 -0.28 0.00 0.02 0.00 0.00 55.97 53.36 2hu9 s LYS 72 Cb -0.34 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 33.79 2hu9 s LYS 72 CO 0.44 -1.22 1.35 -2.14 -0.92 0.00 0.00 175.35 172.86 2hu9 s PRO 73 N -0.70 4.17 -0.01 -1.68 0.02 -1.26 -0.85 135.00 134.68 2hu9 s PRO 73 Ca 0.22 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.44 2hu9 s PRO 73 Cb -0.14 -2.94 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 2hu9 s PRO 73 CO -0.09 -0.37 -0.14 0.28 -0.33 0.00 0.00 177.00 176.35 2hu9 n VAL 74 N 0.49 1.29 -3.58 3.83 0.31 0.52 -3.71 118.33 117.48 2hu9 n VAL 74 Ca 0.01 0.30 -0.39 0.00 -0.01 0.00 0.00 64.34 64.25 2hu9 n VAL 74 Cb 0.42 -1.87 -0.11 0.00 -0.91 0.00 0.00 33.84 31.37 2hu9 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hu9 h TYR 76 N 8.43 0.02 -0.39 0.00 0.05 -1.86 -0.46 116.97 122.76 2hu9 h TYR 76 Ca -0.32 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.35 2hu9 h TYR 76 Cb 1.16 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 2hu9 h TYR 76 CO 0.67 1.02 -0.12 0.00 -1.05 0.00 0.00 178.16 178.67 2hu9 n ASN 78 N -4.17 2.74 -3.46 0.00 3.02 -1.24 -4.99 115.26 107.15 2hu9 n ASN 78 Ca 0.01 -1.97 -0.18 0.00 -0.03 0.00 0.00 54.58 52.41 2hu9 n ASN 78 Cb 0.36 -0.19 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 2hu9 n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2hu9 n ARG 79 N 0.36 -6.31 -4.16 3.52 1.74 -0.34 -4.95 116.66 106.52 2hu9 n ARG 79 Ca 0.10 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.65 2hu9 n ARG 79 Cb 0.39 -5.77 -0.14 0.00 -1.02 0.00 0.00 32.46 25.92 2hu9 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hu9 s VAL 80 N -3.40 3.39 0.31 1.55 1.01 -0.33 -5.00 120.40 117.92 2hu9 s VAL 80 Ca 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2hu9 s VAL 80 Cb -0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2hu9 s VAL 80 CO 0.74 0.45 0.47 0.42 0.00 0.00 0.00 175.10 177.18 2hu9 s THR 81 N 1.08 4.94 0.26 3.92 -4.23 -1.26 -0.36 115.64 119.99 2hu9 s THR 81 Ca 0.01 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2hu9 s THR 81 Cb -0.15 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.17 2hu9 s THR 81 CO -0.01 -0.39 1.70 -0.33 -0.54 0.00 0.00 174.62 175.06 2hu9 h GLU 82 N 0.92 0.36 -0.65 3.99 5.08 -1.29 -1.97 114.58 121.01 2hu9 h GLU 82 Ca -0.50 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2hu9 h GLU 82 Cb 1.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2hu9 h GLU 82 CO 0.60 0.24 0.40 -0.22 -1.00 0.00 0.00 179.01 179.02 2hu9 h LYS 83 N 0.37 0.75 -0.52 2.33 3.64 -1.95 -0.46 116.57 120.72 2hu9 h LYS 83 Ca 0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2hu9 h LYS 83 Cb 0.77 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2hu9 h LYS 83 CO -0.48 0.49 0.27 0.52 -2.27 0.00 0.00 179.45 177.98 2hu9 h MET 84 N 0.77 0.74 -0.43 1.90 2.86 -1.80 -1.21 114.93 117.76 2hu9 h MET 84 Ca 0.27 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2hu9 h MET 84 Cb 0.05 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2hu9 h MET 84 CO -0.12 0.60 0.18 -0.07 1.06 0.00 0.00 176.91 178.56 2hu9 h LEU 85 N 0.70 0.58 0.02 1.22 3.38 -0.65 -1.85 115.31 118.72 2hu9 h LEU 85 Ca 0.18 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 2hu9 h LEU 85 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2hu9 h LEU 85 CO -0.03 0.58 -1.09 -0.07 0.09 0.00 0.00 178.44 177.93 2hu9 h LEU 86 N 0.54 0.21 -0.08 1.67 3.38 -1.05 -0.59 115.31 119.38 2hu9 h LEU 86 Ca 0.14 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2hu9 h LEU 86 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2hu9 h LEU 86 CO -0.01 1.15 -0.11 -0.08 0.09 0.00 0.00 178.44 179.48 2hu9 h GLU 87 N 0.04 -0.14 0.00 1.13 4.81 -1.23 -1.41 114.58 117.77 2hu9 h GLU 87 Ca -0.07 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2hu9 h GLU 87 Cb 1.83 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2hu9 h GLU 87 CO 0.16 -0.10 -0.41 0.00 -0.73 0.00 0.00 179.01 177.94 2hu9 h ALA 88 N 0.90 1.23 -0.18 2.92 0.00 -1.30 -2.96 119.26 119.87 2hu9 h ALA 88 Ca 0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2hu9 h ALA 88 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2hu9 h ALA 88 CO -0.17 0.51 -0.52 0.00 0.00 0.00 0.00 179.25 179.06 2hu9 h ALA 89 N 1.59 0.77 -0.61 0.00 0.00 -0.84 0.13 119.26 120.29 2hu9 h ALA 89 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2hu9 h ALA 89 Cb 0.77 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2hu9 h ALA 89 CO 0.05 0.68 0.18 0.93 0.00 0.00 0.00 179.25 181.09 2hu9 h GLU 90 N 0.39 0.96 -0.03 0.00 5.08 -1.14 0.25 114.58 120.08 2hu9 h GLU 90 Ca 0.01 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2hu9 h GLU 90 Cb 1.04 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2hu9 h GLU 90 CO 0.10 0.86 -0.16 0.87 -1.00 0.00 0.00 179.01 179.68 2hu9 h LYS 91 N 0.88 0.17 -0.00 2.33 1.57 -1.35 -3.40 116.57 116.76 2hu9 h LYS 91 Ca 0.20 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2hu9 h LYS 91 Cb 0.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2hu9 h LYS 91 CO -0.00 0.79 -0.05 1.19 -0.57 0.00 0.00 179.45 180.81 2hu9 n PHE 92 N -4.60 0.00 0.00 -1.35 0.99 0.44 -5.11 117.46 107.83 2hu9 n PHE 92 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 2hu9 n PHE 92 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.89 2hu9 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hu9 n GLY 93 N 0.46 -1.14 0.36 1.37 0.00 0.88 -4.26 105.19 102.86 2hu9 n GLY 93 Ca 0.02 -1.34 0.28 0.00 0.00 0.00 0.00 46.02 44.98 2hu9 n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hu9 h LYS 94 N 0.00 0.21 -0.20 1.61 1.57 -1.87 -0.95 116.57 116.93 2hu9 h LYS 94 Ca 0.00 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2hu9 h LYS 94 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2hu9 h LYS 94 CO 0.00 0.14 -0.45 1.05 -0.57 0.00 0.00 179.45 179.62 2hu9 h GLU 95 N 0.22 0.66 0.00 3.15 4.11 -1.90 -3.01 114.58 117.80 2hu9 h GLU 95 Ca 0.77 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2hu9 h GLU 95 Cb 1.96 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2hu9 h GLU 95 CO -0.58 1.06 0.00 -0.22 0.07 0.00 0.00 179.01 179.34 2hu9 h LYS 96 N 0.36 0.00 -0.11 1.06 1.63 -1.38 -2.99 116.57 115.14 2hu9 h LYS 96 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2hu9 h LYS 96 Cb 1.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2hu9 h LYS 96 CO 0.10 0.00 -0.09 0.00 -3.45 0.00 0.00 179.45 176.01 2hu9 h ALA 97 N 2.09 0.16 -0.74 5.00 0.00 -1.29 -1.44 119.26 123.04 2hu9 h ALA 97 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2hu9 h ALA 97 Cb 0.56 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2hu9 h ALA 97 CO 0.00 -0.02 0.40 0.28 0.00 0.00 0.00 179.25 179.92 2hu9 h VAL 98 N -0.13 0.91 -0.07 0.00 2.07 -1.45 0.71 116.25 118.30 2hu9 h VAL 98 Ca 0.02 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2hu9 h VAL 98 Cb 0.59 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2hu9 h VAL 98 CO 0.02 0.13 -0.37 -0.08 0.02 0.00 0.00 177.57 177.29 2hu9 h GLU 99 N 0.70 0.15 0.04 1.57 4.81 -1.47 -2.61 114.58 117.77 2hu9 h GLU 99 Ca 0.35 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 59.20 2hu9 h GLU 99 Cb 0.30 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2hu9 h GLU 99 CO -0.23 0.51 -1.83 1.51 -0.73 0.00 0.00 179.01 178.24 2hu9 n ILE 100 N -4.07 1.65 0.19 2.32 3.06 -0.55 -3.89 119.36 118.07 2hu9 n ILE 100 Ca -0.01 -0.75 0.06 0.00 -2.50 0.00 0.00 62.75 59.54 2hu9 n ILE 100 Cb 0.44 -1.23 0.32 0.00 0.54 0.00 0.00 39.64 39.71 2hu9 n ILE 100 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 2hu9 h THR 101 N 0.02 0.80 0.00 9.51 1.35 -0.92 -3.47 112.91 120.20 2hu9 h THR 101 Ca -0.34 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2hu9 h THR 101 Cb 2.03 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2hu9 h THR 101 CO 0.08 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2hu9 n GLY 102 N 0.36 0.67 3.68 5.82 0.00 -0.99 -4.91 105.19 109.83 2hu9 n GLY 102 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2hu9 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hu9 n ALA 103 N 0.91 1.80 -0.06 4.61 0.00 -1.20 -2.06 120.51 124.51 2hu9 n ALA 103 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2hu9 n ALA 103 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2hu9 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hu9 n GLY 104 N 3.68 0.94 0.23 0.00 0.00 -1.26 -4.86 105.19 103.92 2hu9 n GLY 104 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2hu9 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hu9 n LYS 105 N -2.00 0.98 -2.27 1.61 4.76 -0.87 -4.93 118.16 115.43 2hu9 n LYS 105 Ca 0.00 -0.46 -0.26 0.00 -2.87 0.00 0.00 58.31 54.71 2hu9 n LYS 105 Cb 0.00 -1.49 0.14 0.00 -1.84 0.00 0.00 35.03 31.84 2hu9 n LYS 105 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2hu9 s GLY 106 N -2.34 1.76 0.00 0.72 0.00 -1.26 -5.04 107.32 101.16 2hu9 s GLY 106 Ca 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2hu9 s GLY 106 CO 0.45 -0.80 0.09 0.58 0.00 0.00 0.00 173.10 173.43 2hu9 n LYS 107 N -3.25 3.44 -0.69 2.90 2.85 -1.26 -4.84 118.16 117.31 2hu9 n LYS 107 Ca 0.15 -0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 2hu9 n LYS 107 Cb 0.60 -0.49 0.26 0.00 -0.65 0.00 0.00 35.03 34.75 2hu9 n LYS 107 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2hu9 n TRP 108 N -0.52 1.62 -0.17 5.58 7.02 -1.26 -4.61 117.44 125.11 2hu9 n TRP 108 Ca 0.00 -0.70 0.10 0.00 -1.02 0.00 0.00 57.50 55.88 2hu9 n TRP 108 Cb 0.02 -0.46 0.42 0.00 -2.42 0.00 0.00 31.31 28.86 2hu9 n TRP 108 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hu9 h VAL 110 N 0.61 0.76 0.00 0.00 3.04 -1.82 -0.77 116.25 118.08 2hu9 h VAL 110 Ca 0.33 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.60 2hu9 h VAL 110 Cb 0.49 0.79 -0.07 0.00 -2.01 0.00 0.00 31.29 30.49 2hu9 h VAL 110 CO -0.12 0.00 -2.48 0.52 -1.01 0.00 0.00 177.57 174.49 2hu9 n VAL 111 N -4.36 1.51 0.13 1.51 0.31 -0.42 -4.23 118.33 112.79 2hu9 n VAL 111 Ca 0.07 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.90 2hu9 n VAL 111 Cb 0.48 -1.62 0.14 0.00 -0.91 0.00 0.00 33.84 31.94 2hu9 n VAL 111 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2hu9 h THR 112 N -0.41 1.37 -3.68 2.52 1.35 -1.00 -3.43 112.91 109.63 2hu9 h THR 112 Ca -0.62 -2.24 -0.63 0.00 -0.55 0.00 0.00 66.41 62.37 2hu9 h THR 112 Cb 1.78 2.24 -0.15 0.00 -1.73 0.00 0.00 68.15 70.29 2hu9 h THR 112 CO -0.22 0.62 -0.49 0.21 -0.25 0.00 0.00 175.52 175.39 2hu9 s ASN 113 N -6.74 6.10 0.55 5.36 3.04 -0.30 -4.79 114.94 118.16 2hu9 s ASN 113 Ca -0.00 0.09 0.26 0.00 0.04 0.00 0.00 52.86 53.25 2hu9 s ASN 113 Cb 0.12 -2.12 1.45 0.00 -1.54 0.00 0.00 41.25 39.16 2hu9 s ASN 113 CO 0.76 0.02 2.00 -0.65 -3.04 0.00 0.00 177.10 176.19 2hu9 h PRO 114 N 7.79 0.00 0.00 0.43 0.11 -1.84 0.23 132.00 138.72 2hu9 h PRO 114 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2hu9 h PRO 114 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2hu9 h PRO 114 CO 0.63 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 2hu9 n SER 115 N -4.20 0.03 -0.16 -2.05 3.41 -1.26 -4.90 113.62 104.49 2hu9 n SER 115 Ca 0.08 0.50 -0.02 0.00 -0.26 0.00 0.00 58.87 59.17 2hu9 n SER 115 Cb 0.57 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2hu9 n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hu9 n GLY 116 N 0.85 0.47 3.21 5.00 0.00 0.07 -4.88 105.19 109.91 2hu9 n GLY 116 Ca 0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2hu9 n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hu9 s ARG 117 N -1.31 0.95 0.46 1.61 0.52 -1.26 -3.97 118.95 115.96 2hu9 s ARG 117 Ca 0.00 -1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 53.65 2hu9 s ARG 117 Cb 0.00 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 2hu9 s ARG 117 CO 0.00 0.06 0.84 0.00 0.02 0.00 0.00 175.30 176.22 2hu9 h HIS 120 N 0.00 0.76 -0.92 0.00 3.86 -1.93 -0.61 115.15 116.31 2hu9 h HIS 120 Ca 0.00 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2hu9 h HIS 120 Cb 0.02 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.25 2hu9 h HIS 120 CO 0.00 0.05 0.60 0.11 0.86 0.00 0.00 177.93 179.55 2hu9 h TRP 121 N 0.51 1.13 -0.08 2.45 5.08 -1.97 0.22 115.95 123.30 2hu9 h TRP 121 Ca 0.54 0.03 -0.24 0.00 1.08 0.00 0.00 58.89 60.30 2hu9 h TRP 121 Cb 0.95 -0.38 0.01 0.00 -3.00 0.00 0.00 29.16 26.75 2hu9 h TRP 121 CO -0.10 0.68 -0.90 1.25 -1.28 0.00 0.00 178.44 178.09 2hu9 h HIS 122 N 1.19 1.01 -0.24 0.12 2.76 -1.65 -1.54 115.15 116.80 2hu9 h HIS 122 Ca 0.35 -0.49 0.02 0.00 -2.20 0.00 0.00 60.37 58.05 2hu9 h HIS 122 Cb -0.06 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 2hu9 h HIS 122 CO -0.01 1.32 0.11 -0.07 -1.30 0.00 0.00 177.93 177.98 2hu9 h LEU 123 N 0.45 0.16 -1.06 0.26 3.38 -0.68 -1.77 115.31 116.04 2hu9 h LEU 123 Ca -0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2hu9 h LEU 123 Cb 1.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2hu9 h LEU 123 CO 0.18 0.12 0.32 -0.08 0.09 0.00 0.00 178.44 179.08 2hu9 h GLU 124 N 0.24 0.99 0.00 1.13 4.22 -0.57 -0.95 114.58 119.63 2hu9 h GLU 124 Ca 0.10 -0.14 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 2hu9 h GLU 124 Cb 0.04 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2hu9 h GLU 124 CO -0.08 0.77 -0.16 -0.09 -2.18 0.00 0.00 179.01 177.28 2hu9 h ARG 125 N 0.98 0.00 -0.01 1.92 2.43 -0.86 -2.52 114.38 116.32 2hu9 h ARG 125 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2hu9 h ARG 125 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2hu9 h ARG 125 CO -0.03 0.16 -0.08 1.28 -1.51 0.00 0.00 179.97 179.78 2hu9 n LEU 126 N -4.15 1.27 0.00 3.80 4.77 -0.70 -4.93 117.00 117.06 2hu9 n LEU 126 Ca -0.02 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2hu9 n LEU 126 Cb 0.23 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2hu9 n LEU 126 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2hu9 n GLY 127 N 1.23 0.82 3.01 -0.72 0.00 -0.95 -5.02 105.19 103.56 2hu9 n GLY 127 Ca 0.17 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2hu9 n GLY 127 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hu9 n PHE 128 N -2.34 2.42 -1.61 1.61 3.72 -0.44 -4.99 117.46 115.83 2hu9 n PHE 128 Ca 0.00 -2.65 -0.43 0.00 -0.05 0.00 0.00 57.45 54.32 2hu9 n PHE 128 Cb 0.00 -1.32 -0.00 0.00 -0.94 0.00 0.00 39.48 37.21 2hu9 n PHE 128 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2hu9 n PRO 129 N 1.55 1.49 0.00 -1.08 -0.02 -1.26 -4.14 135.00 131.53 2hu9 n PRO 129 Ca 0.27 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2hu9 n PRO 129 Cb 0.34 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2hu9 n PRO 129 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76