#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hu9 s ARG 3 N 0.00 2.57 0.19 2.12 0.52 -1.26 -0.20 118.95 122.89 2hu9 s ARG 3 Ca 0.00 -0.70 -0.33 0.00 -0.52 0.00 0.00 55.73 54.18 2hu9 s ARG 3 Cb 0.00 -2.51 -0.13 0.00 0.52 0.00 0.00 34.95 32.84 2hu9 s ARG 3 CO 0.00 0.61 1.67 0.00 0.02 0.00 0.00 175.30 177.61 2hu9 h PRO 5 N 6.48 0.00 0.06 0.00 0.13 -1.95 0.08 132.00 136.81 2hu9 h PRO 5 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 2hu9 h PRO 5 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2hu9 h PRO 5 CO 0.93 0.03 -1.72 -1.91 -0.23 0.00 0.00 178.00 175.11 2hu9 n GLU 6 N -3.37 0.67 0.00 0.86 4.07 -1.26 -4.65 120.64 116.95 2hu9 n GLU 6 Ca -0.02 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 2hu9 n GLU 6 Cb 0.16 -1.71 -0.00 0.00 -0.06 0.00 0.00 31.44 29.82 2hu9 n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hu9 n SER 8 N -0.82 0.00 -4.69 0.00 7.64 0.02 -4.96 113.62 110.81 2hu9 n SER 8 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2hu9 n SER 8 Cb 0.02 -0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 62.38 2hu9 n SER 8 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hu9 n THR 9 N -2.00 1.64 -1.97 0.44 -1.04 -1.26 -4.27 114.28 105.82 2hu9 n THR 9 Ca 0.00 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 2hu9 n THR 9 Cb 0.00 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 2hu9 n THR 9 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hu9 s GLU 10 N -1.36 4.23 0.37 -2.82 2.56 -1.26 -0.57 118.70 119.86 2hu9 s GLU 10 Ca 0.60 2.31 -0.08 0.00 0.00 0.00 0.00 54.97 57.80 2hu9 s GLU 10 Cb -0.60 -3.19 -0.06 0.00 2.00 0.00 0.00 34.13 32.28 2hu9 s GLU 10 CO 0.58 -0.59 0.69 0.20 -0.56 0.00 0.00 175.26 175.59 2hu9 s GLY 11 N 1.21 1.85 -0.24 -1.50 0.00 0.72 -4.77 107.32 104.59 2hu9 s GLY 11 Ca 0.69 -0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 2hu9 s GLY 11 CO 0.31 -0.21 0.13 -0.98 0.00 0.00 0.00 173.10 172.35 2hu9 s TRP 12 N -2.31 3.25 0.27 1.90 0.51 -0.41 -4.69 118.94 117.46 2hu9 s TRP 12 Ca 0.48 0.08 -0.30 0.00 -2.12 0.00 0.00 56.10 54.24 2hu9 s TRP 12 Cb -0.10 -2.25 -0.11 0.00 -0.81 0.00 0.00 33.47 30.20 2hu9 s TRP 12 CO 0.32 -0.02 1.61 0.50 -0.51 0.00 0.00 176.95 178.85 2hu9 s ARG 13 N 1.12 4.13 0.01 4.98 3.52 -1.26 -0.35 118.95 131.10 2hu9 s ARG 13 Ca 0.06 2.56 0.03 0.00 -0.13 0.00 0.00 55.73 58.26 2hu9 s ARG 13 Cb -0.14 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2hu9 s ARG 13 CO 0.05 -0.64 -0.10 0.14 -0.81 0.00 0.00 175.30 173.93 2hu9 s VAL 14 N 0.26 0.77 0.63 7.11 -7.23 0.31 -4.88 120.40 117.37 2hu9 s VAL 14 Ca 0.65 -0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 60.10 2hu9 s VAL 14 Cb -0.48 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 2hu9 s VAL 14 CO 0.44 0.11 1.12 -0.76 -0.31 0.00 0.00 175.10 175.71 2hu9 s LEU 15 N -0.51 3.48 0.38 1.32 1.43 -1.26 -1.22 118.68 122.31 2hu9 s LEU 15 Ca 0.02 2.08 0.15 0.00 -1.03 0.00 0.00 54.13 55.34 2hu9 s LEU 15 Cb -0.05 -4.56 1.00 0.00 0.03 0.00 0.00 46.19 42.61 2hu9 s LEU 15 CO 0.00 -1.56 1.81 -0.65 0.23 0.00 0.00 176.35 176.18 2hu9 h PRO 16 N 0.33 0.48 -0.38 1.29 0.11 -1.94 -1.64 132.00 130.25 2hu9 h PRO 16 Ca -0.48 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 2hu9 h PRO 16 Cb 1.25 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 2hu9 h PRO 16 CO 0.55 0.32 -0.14 1.25 -0.21 0.00 0.00 178.00 179.76 2hu9 h LEU 17 N 0.49 -0.49 0.01 2.35 5.85 -1.94 0.44 115.31 122.02 2hu9 h LEU 17 Ca 0.53 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.38 2hu9 h LEU 17 Cb 1.19 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2hu9 h LEU 17 CO -0.26 -0.17 -0.00 0.74 -0.34 0.00 0.00 178.44 178.41 2hu9 h THR 18 N -0.06 1.11 -0.56 1.05 2.02 -1.49 -2.57 112.91 112.40 2hu9 h THR 18 Ca 0.19 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2hu9 h THR 18 Cb 0.35 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 2hu9 h THR 18 CO -0.42 0.09 0.35 0.58 0.37 0.00 0.00 175.52 176.48 2hu9 h VAL 19 N -0.15 1.08 -0.14 3.16 2.07 -1.15 -1.49 116.25 119.62 2hu9 h VAL 19 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2hu9 h VAL 19 Cb 0.15 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2hu9 h VAL 19 CO 0.00 0.13 0.08 1.23 0.02 0.00 0.00 177.57 179.03 2hu9 h GLY 20 N 0.69 0.19 2.00 2.17 0.00 -0.87 -0.91 103.07 106.34 2hu9 h GLY 20 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2hu9 h GLY 20 CO -0.09 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2hu9 n ALA 21 N -2.52 1.99 -0.00 3.60 0.00 -0.57 -4.14 120.51 118.86 2hu9 n ALA 21 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2hu9 n ALA 21 Cb 0.09 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 2hu9 n ALA 21 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hu9 n HIS 22 N -1.96 0.00 -2.96 0.00 8.25 -0.61 -4.92 115.22 113.03 2hu9 n HIS 22 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 2hu9 n HIS 22 Cb 0.30 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 2hu9 n HIS 22 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2hu9 s VAL 23 N -2.01 4.79 0.42 1.59 -7.23 -0.45 -0.32 120.40 117.18 2hu9 s VAL 23 Ca -0.00 0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 60.54 2hu9 s VAL 23 Cb 0.00 -3.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.14 2hu9 s VAL 23 CO 0.01 -0.43 1.36 0.29 -0.31 0.00 0.00 175.10 176.02 2hu9 n LYS 24 N -1.07 2.17 0.25 4.82 5.02 -0.24 -4.55 118.16 124.55 2hu9 n LYS 24 Ca 0.02 0.77 0.09 0.00 -2.02 0.00 0.00 58.31 57.18 2hu9 n LYS 24 Cb 0.54 -2.51 0.63 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.32 0.00 -0.23 1.97 3.07 -1.92 -0.55 114.58 119.25 2hu9 h GLU 25 Ca -0.49 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.43 2hu9 h GLU 25 Cb 1.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 2hu9 h GLU 25 CO 0.61 0.16 0.32 0.78 -1.40 0.00 0.00 179.01 179.48 2hu9 h GLY 26 N 0.74 0.00 -2.20 -3.84 0.00 -1.98 -2.31 103.07 93.48 2hu9 h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hu9 h GLY 26 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2hu9 n LEU 27 N -3.52 3.40 -0.20 3.11 4.77 -0.22 -4.51 117.00 119.83 2hu9 n LEU 27 Ca 0.03 -1.55 0.13 0.00 -0.03 0.00 0.00 56.01 54.59 2hu9 n LEU 27 Cb 0.45 -0.25 0.44 0.00 -2.33 0.00 0.00 43.42 41.72 2hu9 n LEU 27 CO 0.24 0.74 1.21 -0.50 -1.33 0.00 0.00 177.39 177.76 2hu9 h TRP 28 N 4.19 0.64 0.00 -1.77 6.55 -1.50 -1.44 115.95 122.63 2hu9 h TRP 28 Ca 0.00 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 2hu9 h TRP 28 Cb 0.95 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 29.04 2hu9 h TRP 28 CO 0.25 0.26 -0.00 0.66 -1.05 0.00 0.00 178.44 178.56 2hu9 h SER 29 N 0.56 0.00 0.47 -3.49 4.64 -1.83 -0.84 113.55 113.07 2hu9 h SER 29 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2hu9 h SER 29 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2hu9 h SER 29 CO -0.15 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 175.99 2hu9 n LYS 30 N -3.09 0.52 -2.93 4.77 5.02 -0.54 -4.68 118.16 117.22 2hu9 n LYS 30 Ca -0.01 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 2hu9 n LYS 30 Cb 0.17 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.59 4.48 -0.07 -0.18 1.01 -0.32 -4.84 121.20 118.69 2hu9 s ILE 31 Ca 0.26 -0.33 0.10 0.00 0.00 0.00 0.00 60.65 60.68 2hu9 s ILE 31 Cb 0.20 -4.57 0.16 0.00 0.01 0.00 0.00 42.46 38.25 2hu9 s ILE 31 CO 0.50 -1.25 1.06 1.17 0.00 0.00 0.00 174.94 176.42 2hu9 n LYS 32 N 7.25 1.68 -3.48 2.79 4.81 -1.26 -5.06 118.16 124.88 2hu9 n LYS 32 Ca -0.04 -2.01 0.00 0.00 -0.87 0.00 0.00 58.31 55.40 2hu9 n LYS 32 Cb 0.45 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.29 2hu9 n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hu9 n GLY 33 N -0.95 -1.10 3.74 3.14 0.00 -1.26 -5.14 105.19 103.62 2hu9 n GLY 33 Ca 0.09 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 0.45 1.61 1.01 -1.26 -4.21 116.67 115.02 2hu9 s ASP 34 Ca 0.00 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.62 2hu9 s ASP 34 Cb 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2hu9 s ASP 34 CO 0.00 -1.89 0.00 0.49 0.21 0.00 0.00 175.17 173.98 2hu9 n PHE 35 N -2.13 1.04 -4.69 4.23 3.72 -0.36 -4.81 117.46 114.47 2hu9 n PHE 35 Ca 0.13 -2.21 -0.24 0.00 -0.05 0.00 0.00 57.45 55.08 2hu9 n PHE 35 Cb 0.50 -0.30 -0.16 0.00 -0.94 0.00 0.00 39.48 38.58 2hu9 n PHE 35 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2hu9 s TYR 36 N -2.62 1.48 -0.09 1.38 2.02 0.32 -0.53 117.35 119.30 2hu9 s TYR 36 Ca 0.00 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 56.08 2hu9 s TYR 36 Cb 0.00 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 2hu9 s TYR 36 CO 0.00 -0.16 0.56 0.12 -1.57 0.00 0.00 175.55 174.51 2hu9 s PHE 37 N 0.13 3.55 -0.28 2.71 5.36 0.52 -1.29 117.98 128.69 2hu9 s PHE 37 Ca -0.04 1.04 -0.19 0.00 -0.96 0.00 0.00 56.93 56.77 2hu9 s PHE 37 Cb -0.11 -2.64 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2hu9 s PHE 37 CO 0.02 0.15 0.56 0.00 -1.46 0.00 0.00 175.22 174.49 2hu9 n SER 39 N 5.67 2.57 -4.67 0.00 3.41 -1.26 -4.75 113.62 114.59 2hu9 n SER 39 Ca -0.03 -1.86 -0.43 0.00 -0.26 0.00 0.00 58.87 56.30 2hu9 n SER 39 Cb 0.49 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.54 4.22 0.26 1.04 2.96 -1.26 -4.92 118.68 119.44 2hu9 s LEU 40 Ca 0.35 1.77 -0.03 0.00 -0.22 0.00 0.00 54.13 56.00 2hu9 s LEU 40 Cb 0.20 -3.55 0.52 0.00 0.50 0.00 0.00 46.19 43.87 2hu9 s LEU 40 CO 0.29 -0.70 1.68 -0.33 -1.32 0.00 0.00 176.35 175.96 2hu9 h GLU 41 N 7.97 0.26 -0.00 1.98 3.07 -1.92 -1.88 114.58 124.06 2hu9 h GLU 41 Ca -0.30 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2hu9 h GLU 41 Cb 1.13 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2hu9 h GLU 41 CO 0.94 0.17 -0.16 -1.13 -1.40 0.00 0.00 179.01 177.43 2hu9 n SER 42 N -5.17 0.55 -4.73 1.42 3.41 -1.26 -4.41 113.62 103.44 2hu9 n SER 42 Ca 0.16 -0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 57.84 2hu9 n SER 42 Cb 0.51 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 6.64 0.00 -6.66 0.00 4.39 -1.90 -3.44 114.58 113.61 2hu9 h GLU 44 Ca -0.41 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.77 2hu9 h GLU 44 Cb 1.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2hu9 h GLU 44 CO 0.75 0.01 0.50 0.08 -1.16 0.00 0.00 179.01 179.19 2hu9 s VAL 45 N -3.81 3.78 -0.15 3.13 1.01 -1.26 -1.15 120.40 121.95 2hu9 s VAL 45 Ca -0.01 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 2hu9 s VAL 45 Cb 0.10 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2hu9 s VAL 45 CO 0.51 0.26 -0.21 0.52 0.00 0.00 0.00 175.10 176.18 2hu9 n VAL 46 N 2.37 0.98 -4.71 2.92 0.31 0.17 -4.56 118.33 115.80 2hu9 n VAL 46 Ca 0.03 -0.16 -0.25 0.00 -0.01 0.00 0.00 64.34 63.95 2hu9 n VAL 46 Cb 0.46 -1.77 -0.14 0.00 -0.91 0.00 0.00 33.84 31.47 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 -2.34 1.73 0.02 3.52 4.12 -0.59 -0.40 117.35 123.42 2hu9 s TYR 47 Ca -0.22 -0.36 -0.16 0.00 0.02 0.00 0.00 57.07 56.35 2hu9 s TYR 47 Cb 0.08 -1.06 0.03 0.00 -1.52 0.00 0.00 41.96 39.49 2hu9 s TYR 47 CO 0.29 0.05 0.34 -0.59 0.02 0.00 0.00 175.55 175.66 2hu9 s PHE 48 N -0.69 -0.19 0.00 2.71 -0.12 -0.41 0.14 117.98 119.42 2hu9 s PHE 48 Ca 0.07 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 2hu9 s PHE 48 Cb -0.08 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.44 2hu9 s PHE 48 CO 0.01 -0.48 0.00 0.27 -0.05 0.00 0.00 175.22 174.96 2hu9 n ASN 49 N 0.81 0.00 0.27 1.98 0.23 -0.28 -0.52 115.26 117.75 2hu9 n ASN 49 Ca -0.20 -0.28 0.16 0.00 -0.53 0.00 0.00 54.58 53.73 2hu9 n ASN 49 Cb 0.58 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.99 2hu9 n ASN 49 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2hu9 h GLU 50 N 0.00 0.00 0.00 -3.83 4.39 -2.01 -3.26 114.58 109.86 2hu9 h GLU 50 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2hu9 h GLU 50 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2hu9 h GLU 50 CO 0.00 0.06 -2.13 1.04 -1.16 0.00 0.00 179.01 176.82 2hu9 n GLN 51 N -3.21 1.20 -3.80 2.33 3.00 -1.26 -5.05 117.38 110.58 2hu9 n GLN 51 Ca -0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 2hu9 n GLN 51 Cb 0.29 -1.43 -0.11 0.00 0.00 0.00 0.00 30.24 29.00 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 -2.48 0.03 -0.14 5.09 2.01 -1.23 -5.14 115.64 113.78 2hu9 s THR 52 Ca -0.08 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2hu9 s THR 52 Cb 0.06 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.18 2hu9 s THR 52 CO 0.69 -0.12 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2hu9 s VAL 53 N -0.44 1.41 -0.25 3.82 1.01 -1.26 -1.12 120.40 123.57 2hu9 s VAL 53 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2hu9 s VAL 53 Cb -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2hu9 s VAL 53 CO 0.01 0.41 0.08 -0.36 0.00 0.00 0.00 175.10 175.24 2hu9 s PHE 54 N 1.55 3.09 0.68 5.22 0.08 0.12 -5.01 117.98 123.71 2hu9 s PHE 54 Ca 0.05 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 2hu9 s PHE 54 Cb -0.13 -2.25 0.10 0.00 -0.57 0.00 0.00 43.02 40.17 2hu9 s PHE 54 CO -0.10 -0.36 0.94 1.03 -0.10 0.00 0.00 175.22 176.63 2hu9 s ARG 55 N 1.62 1.93 0.27 0.44 0.52 -1.26 -0.65 118.95 121.81 2hu9 s ARG 55 Ca 0.06 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2hu9 s ARG 55 Cb -0.15 -2.36 0.56 0.00 0.52 0.00 0.00 34.95 33.52 2hu9 s ARG 55 CO 0.04 -1.25 1.76 0.87 0.02 0.00 0.00 175.30 176.74 2hu9 h LYS 56 N -0.39 0.63 0.00 3.54 1.57 -1.47 -0.38 116.57 120.07 2hu9 h LYS 56 Ca -0.38 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2hu9 h LYS 56 Cb 1.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2hu9 h LYS 56 CO 0.45 0.41 0.00 0.78 -0.57 0.00 0.00 179.45 180.52 2hu9 h GLY 57 N 0.64 0.00 0.08 3.86 0.00 -1.94 -1.24 103.07 104.47 2hu9 h GLY 57 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2hu9 h GLY 57 CO -0.37 0.00 -0.20 1.18 0.00 0.00 0.00 176.54 177.15 2hu9 n GLU 58 N -3.08 1.02 -3.73 4.80 4.71 -0.15 -4.89 120.64 119.31 2hu9 n GLU 58 Ca -0.02 -0.60 -0.34 0.00 -0.01 0.00 0.00 57.16 56.19 2hu9 n GLU 58 Cb 0.14 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.03 2hu9 n GLU 58 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hu9 s LEU 59 N -2.40 4.35 0.29 -4.62 1.02 -0.47 -1.08 118.68 115.77 2hu9 s LEU 59 Ca 0.27 0.57 0.20 0.00 0.02 0.00 0.00 54.13 55.20 2hu9 s LEU 59 Cb 0.20 -2.83 0.12 0.00 0.02 0.00 0.00 46.19 43.70 2hu9 s LEU 59 CO 0.48 0.21 1.31 0.07 0.02 0.00 0.00 176.35 178.44 2hu9 h LYS 60 N 3.72 0.00 -6.18 1.70 2.10 -0.91 -3.44 116.57 113.56 2hu9 h LYS 60 Ca -0.49 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.58 2hu9 h LYS 60 Cb 1.19 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.47 2hu9 h LYS 60 CO 0.68 0.17 -0.05 0.99 -2.00 0.00 0.00 179.45 179.23 2hu9 s THR 61 N -3.15 4.80 -0.10 0.07 2.01 -1.19 -5.06 115.64 113.01 2hu9 s THR 61 Ca 0.03 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.91 2hu9 s THR 61 Cb 0.07 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2hu9 s THR 61 CO 0.74 0.54 1.02 -0.13 -0.69 0.00 0.00 174.62 176.10 2hu9 s ARG 62 N -0.96 4.42 -0.41 4.92 0.52 -1.26 -5.02 118.95 121.15 2hu9 s ARG 62 Ca 0.29 1.41 -0.18 0.00 -0.52 0.00 0.00 55.73 56.73 2hu9 s ARG 62 Cb -0.19 -3.54 0.02 0.00 0.52 0.00 0.00 34.95 31.75 2hu9 s ARG 62 CO 0.18 -0.33 0.47 0.08 0.02 0.00 0.00 175.30 175.73 2hu9 s VAL 63 N 2.03 5.04 0.22 3.52 1.01 -1.26 -4.66 120.40 126.31 2hu9 s VAL 63 Ca 0.49 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 2hu9 s VAL 63 Cb -0.19 -4.05 0.17 0.00 0.00 0.00 0.00 36.38 32.32 2hu9 s VAL 63 CO 0.18 -0.42 1.81 1.23 0.00 0.00 0.00 175.10 177.90 2hu9 h GLY 64 N 9.15 1.10 2.00 4.51 0.00 -1.89 -0.50 103.07 117.44 2hu9 h GLY 64 Ca -0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2hu9 h GLY 64 CO 0.80 0.14 -0.02 -0.39 0.00 0.00 0.00 176.54 177.07 2hu9 h VAL 65 N 0.72 0.56 -0.15 4.60 -1.51 -1.94 -2.79 116.25 115.74 2hu9 h VAL 65 Ca 0.34 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 2hu9 h VAL 65 Cb 0.27 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2hu9 h VAL 65 CO -0.22 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 176.44 2hu9 n LYS 66 N -3.84 2.14 -3.93 5.19 5.02 -0.21 -4.48 118.16 118.06 2hu9 n LYS 66 Ca -0.03 -1.68 -0.35 0.00 -2.02 0.00 0.00 58.31 54.23 2hu9 n LYS 66 Cb 0.11 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 2hu9 n LYS 66 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hu9 s GLU 67 N -1.82 3.86 0.07 1.97 0.41 -1.05 -4.96 118.70 117.18 2hu9 s GLU 67 Ca 0.34 -0.27 0.08 0.00 -0.41 0.00 0.00 54.97 54.71 2hu9 s GLU 67 Cb 0.20 -3.24 -0.22 0.00 -1.78 0.00 0.00 34.13 29.09 2hu9 s GLU 67 CO 0.30 0.41 1.08 0.00 -0.49 0.00 0.00 175.26 176.57 2hu9 h ARG 68 N 6.24 0.02 -6.29 1.61 2.47 -1.90 -3.47 114.38 113.06 2hu9 h ARG 68 Ca -0.43 -0.04 -0.60 0.00 -1.26 0.00 0.00 59.98 57.66 2hu9 h ARG 68 Cb 1.18 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 29.38 2hu9 h ARG 68 CO 0.69 0.87 -0.73 -1.21 0.56 0.00 0.00 179.97 180.15 2hu9 s GLU 69 N -2.67 1.90 0.69 0.04 2.02 -1.26 -5.11 118.70 114.31 2hu9 s GLU 69 Ca -0.01 -1.56 -0.16 0.00 0.02 0.00 0.00 54.97 53.26 2hu9 s GLU 69 Cb 0.09 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.39 2hu9 s GLU 69 CO 0.82 0.36 1.21 -1.83 0.02 0.00 0.00 175.26 175.84 2hu9 s GLU 70 N -3.37 2.39 0.27 1.61 -1.05 -1.26 -4.23 118.70 113.06 2hu9 s GLU 70 Ca 0.29 1.76 -0.30 0.00 -0.15 0.00 0.00 54.97 56.57 2hu9 s GLU 70 Cb -0.06 -1.86 -0.09 0.00 -0.44 0.00 0.00 34.13 31.67 2hu9 s GLU 70 CO 0.16 -1.65 1.07 -1.25 0.95 0.00 0.00 175.26 174.54 2hu9 s PRO 71 N -3.78 4.69 -0.61 -4.83 0.04 -1.26 -5.15 135.00 124.10 2hu9 s PRO 71 Ca 0.75 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.55 2hu9 s PRO 71 Cb -0.29 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.19 2hu9 s PRO 71 CO 0.42 0.27 0.38 0.15 0.04 0.00 0.00 177.00 178.27 2hu9 s LYS 72 N -1.36 2.29 0.42 4.56 1.02 -1.26 -4.91 119.74 120.50 2hu9 s LYS 72 Ca 0.44 -2.83 -0.26 0.00 0.02 0.00 0.00 55.97 53.33 2hu9 s LYS 72 Cb -0.31 -3.46 -0.10 0.00 -0.52 0.00 0.00 37.83 33.45 2hu9 s LYS 72 CO 0.39 -1.17 1.45 -2.30 -0.92 0.00 0.00 175.35 172.79 2hu9 n PRO 73 N 2.84 2.41 0.02 -1.68 -0.02 -1.26 -0.94 135.00 136.36 2hu9 n PRO 73 Ca 0.10 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 2hu9 n PRO 73 Cb 0.34 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2hu9 n PRO 73 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hu9 n VAL 74 N 0.04 1.17 -3.75 -1.45 0.31 0.22 -3.54 118.33 111.32 2hu9 n VAL 74 Ca 0.04 0.34 -0.38 0.00 -0.01 0.00 0.00 64.34 64.33 2hu9 n VAL 74 Cb 0.40 -1.67 -0.12 0.00 -0.91 0.00 0.00 33.84 31.54 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 8.23 0.40 -0.32 0.00 0.05 -1.86 0.14 116.97 123.62 2hu9 h TYR 76 Ca -0.28 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.18 2hu9 h TYR 76 Cb 1.11 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 2hu9 h TYR 76 CO 0.60 1.23 0.07 0.00 -1.05 0.00 0.00 178.16 179.00 2hu9 n ASN 78 N -4.35 2.50 -3.48 0.00 4.13 -1.24 -5.02 115.26 107.81 2hu9 n ASN 78 Ca 0.02 -1.91 -0.19 0.00 1.68 0.00 0.00 54.58 54.17 2hu9 n ASN 78 Cb 0.18 -0.14 0.06 0.00 -1.54 0.00 0.00 39.78 38.35 2hu9 n ASN 78 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2hu9 n ARG 79 N 0.23 -4.04 -4.34 3.52 1.74 -0.53 -4.95 116.66 108.29 2hu9 n ARG 79 Ca 0.07 0.74 -0.34 0.00 -0.77 0.00 0.00 57.85 57.56 2hu9 n ARG 79 Cb 0.35 -5.45 -0.15 0.00 -1.02 0.00 0.00 32.46 26.19 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 -3.46 2.81 0.38 1.55 1.01 -0.08 -5.00 120.40 117.61 2hu9 s VAL 80 Ca 0.21 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2hu9 s VAL 80 Cb -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2hu9 s VAL 80 CO 0.77 0.50 0.55 0.42 0.00 0.00 0.00 175.10 177.34 2hu9 s THR 81 N 0.99 4.09 0.21 3.92 -4.23 -1.26 -0.61 115.64 118.75 2hu9 s THR 81 Ca -0.02 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 2hu9 s THR 81 Cb -0.15 -3.46 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2hu9 s THR 81 CO -0.02 -0.24 1.77 -0.33 -0.54 0.00 0.00 174.62 175.26 2hu9 h GLU 82 N 0.69 0.51 -0.53 3.99 5.08 -1.35 -1.77 114.58 121.19 2hu9 h GLU 82 Ca -0.46 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2hu9 h GLU 82 Cb 1.25 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 2hu9 h GLU 82 CO 0.55 0.34 0.17 -0.22 -1.00 0.00 0.00 179.01 178.84 2hu9 h LYS 83 N 0.52 0.32 -0.59 2.33 3.64 -1.95 0.23 116.57 121.07 2hu9 h LYS 83 Ca 0.31 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2hu9 h LYS 83 Cb 0.33 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2hu9 h LYS 83 CO -0.26 0.21 0.36 0.52 -2.27 0.00 0.00 179.45 178.01 2hu9 h MET 84 N 0.33 0.69 -0.29 1.90 2.86 -1.82 0.36 114.93 118.97 2hu9 h MET 84 Ca 0.27 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2hu9 h MET 84 Cb 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2hu9 h MET 84 CO -0.29 0.46 -0.08 -0.07 1.06 0.00 0.00 176.91 177.99 2hu9 h LEU 85 N 0.71 0.57 -0.39 1.22 3.38 -0.64 -1.43 115.31 118.73 2hu9 h LEU 85 Ca 0.24 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2hu9 h LEU 85 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2hu9 h LEU 85 CO -0.10 0.81 0.15 -0.07 0.09 0.00 0.00 178.44 179.32 2hu9 h LEU 86 N 0.33 0.54 -0.27 1.67 4.07 -0.36 0.31 115.31 121.59 2hu9 h LEU 86 Ca 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 2hu9 h LEU 86 Cb 0.56 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2hu9 h LEU 86 CO 0.03 0.56 0.05 1.05 -1.08 0.00 0.00 178.44 179.05 2hu9 h GLU 87 N 0.48 0.45 -0.87 1.13 4.11 -0.93 -1.63 114.58 117.32 2hu9 h GLU 87 Ca 0.13 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2hu9 h GLU 87 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2hu9 h GLU 87 CO -0.01 0.57 0.53 0.00 0.07 0.00 0.00 179.01 180.16 2hu9 h ALA 88 N 0.87 1.29 -0.55 1.06 0.00 -1.17 -2.73 119.26 118.03 2hu9 h ALA 88 Ca 0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2hu9 h ALA 88 Cb 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2hu9 h ALA 88 CO 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 2hu9 h ALA 89 N 1.38 0.79 -0.67 0.00 0.00 -0.72 0.18 119.26 120.22 2hu9 h ALA 89 Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2hu9 h ALA 89 Cb -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2hu9 h ALA 89 CO -0.06 0.67 0.39 1.49 0.00 0.00 0.00 179.25 181.74 2hu9 h GLU 90 N 0.91 0.91 0.20 0.00 4.22 -1.10 0.23 114.58 119.95 2hu9 h GLU 90 Ca 0.14 -0.08 -0.33 0.00 0.08 0.00 0.00 59.36 59.17 2hu9 h GLU 90 Cb 0.66 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.73 2hu9 h GLU 90 CO 0.05 0.65 -1.61 -0.22 -2.18 0.00 0.00 179.01 175.70 2hu9 h LYS 91 N 0.93 0.41 0.00 1.92 3.64 -1.22 -3.42 116.57 118.83 2hu9 h LYS 91 Ca 0.24 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2hu9 h LYS 91 Cb -0.02 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2hu9 h LYS 91 CO -0.04 1.34 0.00 1.19 -2.27 0.00 0.00 179.45 179.66 2hu9 n PHE 92 N -3.69 0.00 0.00 1.91 3.72 0.60 -5.12 117.46 114.88 2hu9 n PHE 92 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2hu9 n PHE 92 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 2hu9 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hu9 n GLY 93 N 0.57 0.21 0.26 1.37 0.00 0.81 -4.37 105.19 104.03 2hu9 n GLY 93 Ca 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 0.85 -0.39 1.61 1.57 -1.89 -0.84 116.57 117.48 2hu9 h LYS 94 Ca 0.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2hu9 h LYS 94 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2hu9 h LYS 94 CO 0.00 0.78 0.20 0.93 -0.57 0.00 0.00 179.45 180.79 2hu9 h GLU 95 N 0.76 0.56 -0.09 3.15 3.07 -1.96 -2.38 114.58 117.70 2hu9 h GLU 95 Ca 0.18 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 2hu9 h GLU 95 Cb 0.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2hu9 h GLU 95 CO -0.00 0.48 -0.60 -0.22 -1.40 0.00 0.00 179.01 177.27 2hu9 h LYS 96 N 0.50 0.30 -0.64 2.33 1.63 -1.74 -2.94 116.57 116.01 2hu9 h LYS 96 Ca 0.14 -0.20 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 2hu9 h LYS 96 Cb 0.09 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 2hu9 h LYS 96 CO -0.02 0.81 0.31 0.00 -3.45 0.00 0.00 179.45 177.10 2hu9 h ALA 97 N 1.15 0.85 -0.51 5.00 0.00 -0.82 0.69 119.26 125.63 2hu9 h ALA 97 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2hu9 h ALA 97 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2hu9 h ALA 97 CO 0.10 -0.06 0.07 0.28 0.00 0.00 0.00 179.25 179.64 2hu9 h VAL 98 N 0.56 1.25 -0.31 0.00 2.07 -1.36 -1.86 116.25 116.61 2hu9 h VAL 98 Ca 0.30 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2hu9 h VAL 98 Cb 0.27 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2hu9 h VAL 98 CO -0.23 0.34 0.18 -0.33 0.02 0.00 0.00 177.57 177.56 2hu9 h GLU 99 N 0.73 0.42 -0.30 1.57 5.08 -1.25 -0.67 114.58 120.16 2hu9 h GLU 99 Ca 0.15 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2hu9 h GLU 99 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2hu9 h GLU 99 CO 0.01 0.33 -0.30 0.82 -1.00 0.00 0.00 179.01 178.87 2hu9 h ILE 100 N 0.39 1.28 0.00 3.13 2.04 -0.74 -3.07 117.51 120.54 2hu9 h ILE 100 Ca 0.11 -1.41 -0.20 0.00 1.00 0.00 0.00 64.86 64.35 2hu9 h ILE 100 Cb 0.01 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2hu9 h ILE 100 CO -0.02 0.46 -1.10 0.74 0.00 0.00 0.00 178.15 178.23 2hu9 h THR 101 N 0.53 1.24 0.00 -0.27 2.02 -1.32 -3.48 112.91 111.64 2hu9 h THR 101 Ca 0.06 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.35 2hu9 h THR 101 Cb 0.79 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2hu9 h THR 101 CO 0.06 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.27 2hu9 n GLY 102 N 1.37 0.51 3.67 2.16 0.00 -0.27 -4.91 105.19 107.73 2hu9 n GLY 102 Ca -0.04 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.49 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 1.00 0.71 -0.18 4.61 0.00 -1.13 -2.14 120.51 123.38 2hu9 n ALA 103 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2hu9 n ALA 103 Cb 0.02 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 3.79 0.62 3.19 0.00 0.00 -1.26 -4.86 105.19 106.67 2hu9 n GLY 104 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2hu9 n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hu9 s LYS 105 N -0.78 3.14 0.24 1.61 2.47 -0.91 -4.97 119.74 120.54 2hu9 s LYS 105 Ca 0.00 -2.69 -0.20 0.00 -1.56 0.00 0.00 55.97 51.52 2hu9 s LYS 105 Cb 0.00 -4.05 0.03 0.00 -1.46 0.00 0.00 37.83 32.35 2hu9 s LYS 105 CO 0.00 -1.23 0.63 0.20 0.16 0.00 0.00 175.35 175.11 2hu9 s GLY 106 N 1.04 -0.12 -0.01 5.54 0.00 -1.26 -4.81 107.32 107.70 2hu9 s GLY 106 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.72 2hu9 s GLY 106 CO -0.07 -0.14 0.83 0.58 0.00 0.00 0.00 173.10 174.30 2hu9 n LYS 107 N -0.41 1.73 -0.26 2.90 2.85 -1.26 -4.78 118.16 118.92 2hu9 n LYS 107 Ca -0.07 -1.19 0.07 0.00 -1.05 0.00 0.00 58.31 56.06 2hu9 n LYS 107 Cb 0.61 -0.83 0.18 0.00 -0.65 0.00 0.00 35.03 34.34 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 -0.36 0.56 -0.21 5.58 8.01 -1.26 -4.77 117.44 124.99 2hu9 n TRP 108 Ca 0.01 -0.70 0.09 0.00 -1.31 0.00 0.00 57.50 55.60 2hu9 n TRP 108 Cb 0.38 -0.16 0.38 0.00 -2.01 0.00 0.00 31.31 29.90 2hu9 n TRP 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2hu9 h VAL 110 N 0.69 0.66 0.00 0.00 3.04 -1.86 -1.34 116.25 117.44 2hu9 h VAL 110 Ca 0.36 -0.06 -0.30 0.00 -1.01 0.00 0.00 66.70 65.69 2hu9 h VAL 110 Cb 0.47 0.46 -0.06 0.00 -2.01 0.00 0.00 31.29 30.16 2hu9 h VAL 110 CO -0.14 0.03 -2.14 0.52 -1.01 0.00 0.00 177.57 174.83 2hu9 n VAL 111 N -4.40 1.15 0.08 1.51 0.31 -0.34 -4.24 118.33 112.41 2hu9 n VAL 111 Ca 0.17 -0.52 -0.06 0.00 -0.01 0.00 0.00 64.34 63.91 2hu9 n VAL 111 Cb 0.76 -1.02 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 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 0.00 1.62 -3.73 2.52 1.35 -0.97 -3.44 112.91 110.26 2hu9 h THR 112 Ca -0.45 -3.01 -0.63 0.00 -0.55 0.00 0.00 66.41 61.77 2hu9 h THR 112 Cb 1.80 2.64 -0.16 0.00 -1.73 0.00 0.00 68.15 70.70 2hu9 h THR 112 CO -0.04 0.86 -0.52 0.21 -0.25 0.00 0.00 175.52 175.78 2hu9 s ASN 113 N -6.79 5.97 0.64 5.36 3.84 -0.51 -4.77 114.94 118.68 2hu9 s ASN 113 Ca -0.00 0.03 0.34 0.00 0.21 0.00 0.00 52.86 53.44 2hu9 s ASN 113 Cb 0.11 -2.09 1.89 0.00 -0.55 0.00 0.00 41.25 40.60 2hu9 s ASN 113 CO 0.81 0.01 2.11 -0.65 -2.79 0.00 0.00 177.10 176.59 2hu9 h PRO 114 N 7.96 0.00 0.00 0.43 0.11 -1.85 0.15 132.00 138.80 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 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 2hu9 n SER 115 N -3.24 0.00 -0.07 -2.05 3.41 -1.26 -4.90 113.62 105.52 2hu9 n SER 115 Ca -0.01 0.49 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 2hu9 n SER 115 Cb 0.28 -0.50 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.33 0.36 3.31 5.00 0.00 0.53 -4.87 105.19 110.85 2hu9 n GLY 116 Ca 0.07 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.07 1.22 0.61 1.61 0.52 -1.26 -4.03 118.95 116.55 2hu9 s ARG 117 Ca 0.00 -1.52 -0.18 0.00 -0.52 0.00 0.00 55.73 53.50 2hu9 s ARG 117 Cb 0.00 -0.93 -0.05 0.00 0.52 0.00 0.00 34.95 34.49 2hu9 s ARG 117 CO 0.00 0.14 0.93 0.00 0.02 0.00 0.00 175.30 176.40 2hu9 h HIS 120 N 0.00 0.92 -0.38 0.00 3.86 -1.93 -0.56 115.15 117.06 2hu9 h HIS 120 Ca 0.00 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2hu9 h HIS 120 Cb 0.00 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 2hu9 h HIS 120 CO 0.00 0.17 -0.01 0.11 0.86 0.00 0.00 177.93 179.05 2hu9 h TRP 121 N 0.62 0.64 -0.02 2.45 5.08 -1.98 -1.02 115.95 121.72 2hu9 h TRP 121 Ca 0.58 -0.08 -0.17 0.00 1.08 0.00 0.00 58.89 60.30 2hu9 h TRP 121 Cb 1.10 -0.18 0.01 0.00 -3.00 0.00 0.00 29.16 27.09 2hu9 h TRP 121 CO -0.00 0.62 -0.66 1.25 -1.28 0.00 0.00 178.44 178.37 2hu9 h HIS 122 N 0.58 0.71 -0.71 0.12 2.76 -1.56 -2.62 115.15 114.43 2hu9 h HIS 122 Ca 0.12 -0.37 0.09 0.00 -2.20 0.00 0.00 60.37 58.00 2hu9 h HIS 122 Cb 0.39 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 2hu9 h HIS 122 CO 0.02 1.19 0.37 -0.07 -1.30 0.00 0.00 177.93 178.13 2hu9 h LEU 123 N 0.04 0.50 -0.36 0.26 3.38 -0.91 -1.79 115.31 116.43 2hu9 h LEU 123 Ca -0.08 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2hu9 h LEU 123 Cb 1.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2hu9 h LEU 123 CO 0.13 0.29 0.22 -0.33 0.09 0.00 0.00 178.44 178.84 2hu9 h GLU 124 N 0.63 0.43 0.00 1.13 5.08 -1.22 -0.00 114.58 120.63 2hu9 h GLU 124 Ca 0.34 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2hu9 h GLU 124 Cb 0.33 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2hu9 h GLU 124 CO -0.25 0.28 -0.05 0.00 -1.00 0.00 0.00 179.01 178.00 2hu9 h ARG 125 N 0.44 0.00 0.00 2.33 3.08 -1.06 -0.91 114.38 118.26 2hu9 h ARG 125 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2hu9 h ARG 125 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2hu9 h ARG 125 CO -0.06 0.05 -0.02 -0.11 -1.07 0.00 0.00 179.97 178.76 2hu9 n LEU 126 N -4.36 0.15 0.00 3.04 7.94 -0.71 -4.90 117.00 118.16 2hu9 n LEU 126 Ca -0.03 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2hu9 n LEU 126 Cb 0.13 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2hu9 n LEU 126 CO 0.34 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 2hu9 n GLY 127 N 1.47 0.81 3.81 -3.96 0.00 -0.35 -5.07 105.19 101.90 2hu9 n GLY 127 Ca 0.07 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2hu9 n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hu9 s PHE 128 N -2.00 3.51 0.00 1.61 0.08 -0.10 -5.00 117.98 116.08 2hu9 s PHE 128 Ca 0.00 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.51 2hu9 s PHE 128 Cb 0.00 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2hu9 s PHE 128 CO 0.00 0.52 0.06 -2.30 -0.10 0.00 0.00 175.22 173.40 2hu9 n PRO 129 N 2.71 0.00 -0.10 0.24 -0.01 -1.26 -4.01 135.00 132.57 2hu9 n PRO 129 Ca -0.18 0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.37 2hu9 n PRO 129 Cb 0.53 -0.37 0.00 0.00 -0.01 0.00 0.00 33.50 33.65 2hu9 n PRO 129 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04