#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khh s ILE 2 N 0.00 0.32 -0.05 -0.61 1.01 -1.26 -4.43 121.20 116.18 3khh s ILE 2 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3khh s ILE 2 Cb 0.00 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 3khh s ILE 2 CO 0.00 0.13 -0.22 -0.69 0.00 0.00 0.00 174.94 174.16 3khh s VAL 3 N 0.35 1.81 -0.17 2.92 1.01 0.54 -1.68 120.40 125.17 3khh s VAL 3 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3khh s VAL 3 Cb -0.07 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3khh s VAL 3 CO -0.01 0.51 -0.18 -0.22 0.00 0.00 0.00 175.10 175.20 3khh s LEU 4 N -0.16 2.25 -0.19 3.92 0.20 0.47 -1.82 118.68 123.36 3khh s LEU 4 Ca -0.02 -0.59 -0.04 0.00 0.69 0.00 0.00 54.13 54.17 3khh s LEU 4 Cb -0.12 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 3khh s LEU 4 CO 0.02 0.03 -0.03 0.12 -0.29 0.00 0.00 176.35 176.20 3khh s PHE 5 N 1.13 2.99 -0.13 5.38 5.36 0.17 0.41 117.98 133.30 3khh s PHE 5 Ca 0.01 -0.56 -0.04 0.00 -0.96 0.00 0.00 56.93 55.38 3khh s PHE 5 Cb -0.14 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3khh s PHE 5 CO -0.08 -0.27 0.03 0.08 -1.46 0.00 0.00 175.22 173.52 3khh s VAL 6 N 0.94 4.54 -0.08 3.12 1.01 0.34 -0.44 120.40 129.82 3khh s VAL 6 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3khh s VAL 6 Cb -0.14 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3khh s VAL 6 CO 0.01 0.55 0.03 -0.62 0.00 0.00 0.00 175.10 175.07 3khh s ASP 7 N -0.40 1.63 -0.04 3.32 -1.08 -0.46 -1.44 116.67 118.19 3khh s ASP 7 Ca 0.08 -0.14 -0.30 0.00 -0.52 0.00 0.00 52.55 51.68 3khh s ASP 7 Cb -0.12 -0.36 -0.04 0.00 -1.46 0.00 0.00 42.92 40.95 3khh s ASP 7 CO 0.02 -0.23 1.23 -0.36 0.52 0.00 0.00 175.17 176.35 3khh s PHE 8 N 2.03 3.16 0.11 -5.34 0.08 -0.29 -0.52 117.98 117.21 3khh s PHE 8 Ca 0.04 1.16 -0.31 0.00 0.12 0.00 0.00 56.93 57.94 3khh s PHE 8 Cb -0.13 -3.46 -0.09 0.00 -0.57 0.00 0.00 43.02 38.78 3khh s PHE 8 CO -0.05 -1.48 1.51 -0.51 -0.10 0.00 0.00 175.22 174.59 3khh s ASP 9 N 1.51 6.69 -0.78 1.36 1.01 -0.88 -3.78 116.67 121.79 3khh s ASP 9 Ca 0.57 2.45 -0.18 0.00 0.71 0.00 0.00 52.55 56.10 3khh s ASP 9 Cb -0.26 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.11 3khh s ASP 9 CO 0.23 -0.77 0.34 0.00 0.21 0.00 0.00 175.17 175.17 3khh n TYR 10 N 4.46 -0.82 0.00 4.23 0.18 -1.26 -4.58 117.16 119.38 3khh n TYR 10 Ca 0.13 0.09 -0.10 0.00 1.88 0.00 0.00 57.90 59.90 3khh n TYR 10 Cb 0.41 -1.69 -0.04 0.00 -0.38 0.00 0.00 39.34 37.64 3khh n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khh h PHE 11 N -0.48 -0.79 -0.54 -3.48 3.57 -1.95 0.13 116.94 113.41 3khh h PHE 11 Ca -0.43 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3khh h PHE 11 Cb 0.86 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3khh h PHE 11 CO 0.24 -0.37 0.22 1.88 -2.23 0.00 0.00 178.31 178.06 3khh h TYR 12 N -0.36 0.81 -0.25 0.41 0.05 -1.94 0.72 116.97 116.41 3khh h TYR 12 Ca 0.10 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 3khh h TYR 12 Cb 0.51 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3khh h TYR 12 CO -0.38 0.66 0.02 0.00 -1.05 0.00 0.00 178.16 177.41 3khh h ALA 13 N 1.07 0.33 -0.60 3.88 0.00 -1.73 -1.70 119.26 120.50 3khh h ALA 13 Ca 0.18 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3khh h ALA 13 Cb 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3khh h ALA 13 CO -0.02 0.04 0.18 1.96 0.00 0.00 0.00 179.25 181.42 3khh h GLN 14 N 0.22 0.33 -0.02 0.00 4.20 -0.32 0.88 115.11 120.40 3khh h GLN 14 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3khh h GLN 14 Cb 0.37 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3khh h GLN 14 CO 0.01 0.22 0.01 0.28 -0.67 0.00 0.00 178.83 178.68 3khh h VAL 15 N 0.34 1.03 -0.92 -0.54 2.07 -0.72 -0.34 116.25 117.17 3khh h VAL 15 Ca 0.31 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.92 3khh h VAL 15 Cb 0.43 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 3khh h VAL 15 CO -0.35 0.02 0.59 -0.33 0.02 0.00 0.00 177.57 177.52 3khh h GLU 16 N 0.00 0.65 -0.31 1.57 4.39 -0.74 0.18 114.58 120.32 3khh h GLU 16 Ca 0.01 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3khh h GLU 16 Cb 0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3khh h GLU 16 CO -0.00 0.43 0.06 0.93 -1.16 0.00 0.00 179.01 179.27 3khh h GLU 17 N 0.67 0.51 0.27 2.33 5.08 0.06 -2.39 114.58 121.11 3khh h GLU 17 Ca 0.48 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3khh h GLU 17 Cb 0.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3khh h GLU 17 CO -0.23 0.59 -0.18 0.28 -1.00 0.00 0.00 179.01 178.46 3khh h VAL 18 N 0.34 0.61 0.00 3.13 2.07 0.18 0.04 116.25 122.62 3khh h VAL 18 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3khh h VAL 18 Cb 0.32 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3khh h VAL 18 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3khh n LEU 19 N -5.31 0.00 -2.72 2.57 4.32 0.50 -3.88 117.00 112.48 3khh n LEU 19 Ca -0.09 0.16 -0.05 0.00 -0.02 0.00 0.00 56.01 56.01 3khh n LEU 19 Cb 0.22 -0.16 0.04 0.00 -1.62 0.00 0.00 43.42 41.90 3khh n LEU 19 CO 0.33 -0.13 0.33 -3.20 -1.22 0.00 0.00 177.39 173.49 3khh n ASN 20 N -1.16 -2.39 0.16 -1.43 2.85 -0.86 -5.04 115.26 107.40 3khh n ASN 20 Ca 0.03 -2.28 0.11 0.00 -0.11 0.00 0.00 54.58 52.33 3khh n ASN 20 Cb 0.03 1.31 0.59 0.00 1.24 0.00 0.00 39.78 42.94 3khh n ASN 20 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3khh n PRO 21 N 2.26 0.14 0.07 1.20 -0.02 -0.06 -1.95 135.00 136.63 3khh n PRO 21 Ca 0.11 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 3khh n PRO 21 Cb 0.63 -1.96 0.65 0.00 -0.02 0.00 0.00 33.50 32.80 3khh n PRO 21 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3khh h SER 22 N 0.00 0.05 0.68 2.55 4.64 -1.95 -0.87 113.55 118.64 3khh h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3khh h SER 22 Cb 0.01 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3khh h SER 22 CO 0.00 0.03 0.00 -0.07 -0.87 0.00 0.00 176.83 175.92 3khh h LEU 23 N 0.05 0.00 -9.69 5.97 4.07 -1.70 -3.45 115.31 110.56 3khh h LEU 23 Ca 0.18 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.62 3khh h LEU 23 Cb 0.66 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.46 3khh h LEU 23 CO -0.01 0.00 0.92 -0.75 -1.08 0.00 0.00 178.44 177.52 3khh s LYS 24 N -3.53 4.16 0.00 1.13 2.47 -0.34 -1.47 119.74 122.17 3khh s LYS 24 Ca 0.02 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 56.93 3khh s LYS 24 Cb 0.09 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.37 3khh s LYS 24 CO 0.42 -0.65 0.00 0.41 0.16 0.00 0.00 175.35 175.69 3khh n GLY 25 N 3.32 2.29 3.89 5.54 0.00 -1.26 -5.03 105.19 113.94 3khh n GLY 25 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3khh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khh s LYS 26 N -0.25 3.66 -0.04 1.61 1.02 -0.55 -4.99 119.74 120.21 3khh s LYS 26 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 3khh s LYS 26 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 3khh s LYS 26 CO 0.00 0.39 1.44 -2.14 -0.92 0.00 0.00 175.35 174.12 3khh s PRO 27 N -2.87 4.25 -0.12 -1.68 0.02 -1.26 -4.76 135.00 128.58 3khh s PRO 27 Ca 0.43 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.45 3khh s PRO 27 Cb -0.12 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.71 3khh s PRO 27 CO 0.25 -0.66 -0.22 0.08 -0.33 0.00 0.00 177.00 176.12 3khh s VAL 28 N 2.93 2.20 -0.11 3.83 1.01 -1.26 -1.11 120.40 127.88 3khh s VAL 28 Ca 0.65 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3khh s VAL 28 Cb -0.31 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3khh s VAL 28 CO 0.25 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 175.03 3khh s VAL 29 N 0.51 1.69 -0.26 2.92 1.01 0.71 -1.61 120.40 125.38 3khh s VAL 29 Ca -0.14 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3khh s VAL 29 Cb -0.17 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3khh s VAL 29 CO 0.05 0.48 0.17 -0.69 0.00 0.00 0.00 175.10 175.11 3khh s VAL 30 N 0.83 5.30 0.01 2.92 1.01 -0.10 -0.24 120.40 130.12 3khh s VAL 30 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3khh s VAL 30 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3khh s VAL 30 CO 0.00 0.30 0.18 0.00 0.00 0.00 0.00 175.10 175.58 3khh s VAL 32 N -1.36 1.81 -1.40 0.00 -7.23 -0.25 -2.69 120.40 109.28 3khh s VAL 32 Ca 0.29 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 3khh s VAL 32 Cb -0.13 -1.63 0.08 0.00 0.56 0.00 0.00 36.38 35.26 3khh s VAL 32 CO 0.20 0.01 2.22 0.33 -0.31 0.00 0.00 175.10 177.56 3khh n PHE 33 N 1.18 3.04 -1.98 2.82 7.35 -1.26 -0.83 117.46 127.77 3khh n PHE 33 Ca -0.19 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.31 3khh n PHE 33 Cb 0.53 -2.24 0.16 0.00 0.35 0.00 0.00 39.48 38.29 3khh n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3khh s SER 34 N 1.84 3.44 0.00 -2.13 1.04 -1.26 -4.93 113.70 111.69 3khh s SER 34 Ca 0.48 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.21 3khh s SER 34 Cb 0.14 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3khh s SER 34 CO -0.05 -2.53 0.88 0.61 0.98 0.00 0.00 173.24 173.13 3khh n GLY 35 N -3.62 -3.02 0.31 7.32 0.00 -1.26 -2.82 105.19 102.10 3khh n GLY 35 Ca 0.14 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 3khh n GLY 35 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3khh h ARG 36 N 0.00 1.08 -3.13 1.61 1.12 -2.01 -3.37 114.38 109.68 3khh h ARG 36 Ca 0.00 -0.16 -0.79 0.00 -1.11 0.00 0.00 59.98 57.93 3khh h ARG 36 Cb 0.00 -0.20 -0.29 0.00 -0.01 0.00 0.00 29.97 29.47 3khh h ARG 36 CO 0.00 0.84 0.53 1.19 -3.11 0.00 0.00 179.97 179.42 3khh n PHE 37 N -4.40 3.53 -0.41 2.20 3.72 -1.13 -4.79 117.46 116.18 3khh n PHE 37 Ca 0.07 -3.24 -0.15 0.00 -0.05 0.00 0.00 57.45 54.07 3khh n PHE 37 Cb 0.13 -1.36 0.12 0.00 -0.94 0.00 0.00 39.48 37.42 3khh n PHE 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3khh n GLU 38 N 1.83 1.84 -0.06 -1.08 0.28 -1.26 -1.66 120.64 120.54 3khh n GLU 38 Ca 0.25 -1.92 -0.12 0.00 -0.16 0.00 0.00 57.16 55.21 3khh n GLU 38 Cb 0.36 -1.76 -0.04 0.00 1.43 0.00 0.00 31.44 31.43 3khh n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3khh n ASP 39 N -0.52 1.06 0.00 -1.84 3.85 -1.26 -4.88 116.55 112.96 3khh n ASP 39 Ca 0.38 0.18 0.00 0.00 -0.71 0.00 0.00 54.79 54.63 3khh n ASP 39 Cb 1.24 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 40.59 3khh n ASP 39 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3khh n SER 40 N -3.68 0.75 -0.30 -1.12 7.64 -1.26 -5.11 113.62 110.55 3khh n SER 40 Ca -0.22 -1.29 0.01 0.00 1.01 0.00 0.00 58.87 58.38 3khh n SER 40 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 3khh n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khh n GLY 41 N -0.14 -1.83 3.22 0.23 0.00 -0.66 -4.51 105.19 101.49 3khh n GLY 41 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 3khh n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khh s ALA 42 N -1.29 1.23 -0.15 4.61 0.00 -0.01 -0.53 121.76 125.62 3khh s ALA 42 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 3khh s ALA 42 Cb 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3khh s ALA 42 CO 0.00 -0.32 1.29 0.08 0.00 0.00 0.00 175.76 176.82 3khh s VAL 43 N -3.69 4.22 -0.14 0.00 1.01 -0.48 -1.09 120.40 120.24 3khh s VAL 43 Ca 0.21 1.48 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 3khh s VAL 43 Cb 0.06 -3.95 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 3khh s VAL 43 CO 0.02 -0.13 0.66 0.00 0.00 0.00 0.00 175.10 175.65 3khh h ALA 44 N 8.28 0.00 -2.56 5.51 0.00 -0.39 0.37 119.26 130.48 3khh h ALA 44 Ca -0.28 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 3khh h ALA 44 Cb 1.11 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 3khh h ALA 44 CO 0.97 0.01 -0.31 0.99 0.00 0.00 0.00 179.25 180.91 3khh s THR 45 N -2.14 0.09 0.05 0.00 2.01 -1.17 -4.60 115.64 109.89 3khh s THR 45 Ca -0.17 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.15 3khh s THR 45 Cb -0.02 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3khh s THR 45 CO 0.60 -0.40 -0.14 0.00 -0.69 0.00 0.00 174.62 173.99 3khh s ALA 46 N -2.35 1.12 0.91 7.40 0.00 -1.26 -0.92 121.76 126.66 3khh s ALA 46 Ca -0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 3khh s ALA 46 Cb -0.02 -0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.11 3khh s ALA 46 CO -0.02 0.18 1.10 0.54 0.00 0.00 0.00 175.76 177.56 3khh s ASN 47 N -1.43 3.42 0.51 0.00 2.20 -0.64 -4.76 114.94 114.24 3khh s ASN 47 Ca -0.01 1.29 0.23 0.00 -0.94 0.00 0.00 52.86 53.44 3khh s ASN 47 Cb -0.09 -1.96 1.35 0.00 -2.00 0.00 0.00 41.25 38.55 3khh s ASN 47 CO 0.02 -2.65 2.07 1.88 -2.94 0.00 0.00 177.10 175.48 3khh h TYR 48 N -1.56 0.00 0.00 1.54 -1.99 -1.95 0.17 116.97 113.18 3khh h TYR 48 Ca -0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.22 3khh h TYR 48 Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 3khh h TYR 48 CO 0.37 0.12 0.00 0.93 -0.00 0.00 0.00 178.16 179.59 3khh h GLU 49 N 0.00 0.00 0.00 4.88 3.07 -1.92 0.33 114.58 120.93 3khh h GLU 49 Ca -0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 3khh h GLU 49 Cb 0.28 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 3khh h GLU 49 CO 0.02 0.00 -2.29 0.00 -1.40 0.00 0.00 179.01 175.34 3khh n ALA 50 N -1.94 1.53 -0.01 3.43 0.00 -0.28 -4.51 120.51 118.73 3khh n ALA 50 Ca -0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.28 3khh n ALA 50 Cb 0.18 -0.10 0.20 0.00 0.00 0.00 0.00 19.45 19.73 3khh n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khh h ARG 51 N 0.00 0.55 -1.19 0.00 3.08 -0.53 -2.28 114.38 114.01 3khh h ARG 51 Ca -0.51 -0.19 0.34 0.00 0.07 0.00 0.00 59.98 59.70 3khh h ARG 51 Cb 2.00 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.91 3khh h ARG 51 CO -0.02 0.71 0.80 0.87 -1.07 0.00 0.00 179.97 181.26 3khh h LYS 52 N 0.50 0.19 -0.40 0.04 1.57 -1.18 0.25 116.57 117.55 3khh h LYS 52 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3khh h LYS 52 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3khh h LYS 52 CO 0.04 0.13 0.00 1.19 -0.57 0.00 0.00 179.45 180.24 3khh n PHE 53 N -4.49 0.51 0.00 -1.35 3.72 -1.02 -4.96 117.46 109.88 3khh n PHE 53 Ca 0.29 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3khh n PHE 53 Cb 1.16 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.70 3khh n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khh n GLY 54 N 1.38 0.94 3.50 1.37 0.00 0.87 -5.00 105.19 108.25 3khh n GLY 54 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3khh n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khh s VAL 55 N -2.00 4.03 0.21 1.61 1.01 -0.89 -4.98 120.40 119.40 3khh s VAL 55 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3khh s VAL 55 Cb 0.00 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 3khh s VAL 55 CO 0.00 -1.67 -0.19 -1.59 0.00 0.00 0.00 175.10 171.65 3khh s LYS 56 N 4.85 1.46 0.18 2.72 -2.85 -1.26 -3.70 119.74 121.13 3khh s LYS 56 Ca 0.30 -1.58 -0.31 0.00 -1.00 0.00 0.00 55.97 53.37 3khh s LYS 56 Cb -0.11 -1.51 -0.16 0.00 -2.06 0.00 0.00 37.83 33.98 3khh s LYS 56 CO 0.11 0.29 0.90 0.00 0.10 0.00 0.00 175.35 176.75 3khh n ALA 57 N -0.15 -1.83 0.00 0.59 0.00 -1.26 -2.23 120.51 115.63 3khh n ALA 57 Ca -0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3khh n ALA 57 Cb 0.59 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3khh n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khh n GLY 58 N 1.78 2.53 3.78 0.00 0.00 0.13 -4.96 105.19 108.44 3khh n GLY 58 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3khh n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khh s ILE 59 N -2.21 3.40 0.57 -0.61 -4.36 -0.95 -4.71 121.20 112.33 3khh s ILE 59 Ca 0.00 1.03 -0.19 0.00 -0.26 0.00 0.00 60.65 61.22 3khh s ILE 59 Cb 0.00 -3.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.15 3khh s ILE 59 CO 0.00 -0.04 1.18 -2.16 0.24 0.00 0.00 174.94 174.16 3khh s PRO 60 N -2.71 3.17 0.26 0.37 0.04 -1.26 -1.38 135.00 133.49 3khh s PRO 60 Ca 0.62 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 3khh s PRO 60 Cb -0.25 -1.99 0.32 0.00 0.04 0.00 0.00 34.50 32.62 3khh s PRO 60 CO 0.30 -1.03 1.83 0.82 0.04 0.00 0.00 177.00 178.96 3khh h ILE 61 N 1.08 1.24 -0.61 0.56 1.08 -1.04 -1.01 117.51 118.80 3khh h ILE 61 Ca -0.50 -0.77 0.15 0.00 -0.39 0.00 0.00 64.86 63.35 3khh h ILE 61 Cb 1.28 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 3khh h ILE 61 CO 0.56 0.30 0.43 1.62 -0.69 0.00 0.00 178.15 180.37 3khh h VAL 62 N 0.97 0.76 0.13 1.67 3.04 -1.83 -0.25 116.25 120.74 3khh h VAL 62 Ca 0.22 -0.05 -0.29 0.00 -1.01 0.00 0.00 66.70 65.58 3khh h VAL 62 Cb 0.21 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3khh h VAL 62 CO -0.02 0.03 -1.36 -0.33 -1.01 0.00 0.00 177.57 174.88 3khh h GLU 63 N 0.14 0.27 -0.73 4.17 5.08 -1.60 -3.25 114.58 118.67 3khh h GLU 63 Ca 0.29 -0.47 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3khh h GLU 63 Cb 0.96 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 3khh h GLU 63 CO -0.04 1.19 0.46 0.00 -1.00 0.00 0.00 179.01 179.62 3khh h ALA 64 N 0.53 0.95 -0.03 3.43 0.00 -0.03 -2.79 119.26 121.32 3khh h ALA 64 Ca -0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3khh h ALA 64 Cb 2.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3khh h ALA 64 CO 0.19 0.25 -0.34 -0.22 0.00 0.00 0.00 179.25 179.13 3khh h LYS 65 N 0.90 0.06 0.00 0.00 1.63 -1.20 0.68 116.57 118.63 3khh h LYS 65 Ca 0.29 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 3khh h LYS 65 Cb 0.02 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3khh h LYS 65 CO -0.11 0.39 -0.27 0.87 -3.45 0.00 0.00 179.45 176.88 3khh h LYS 66 N 0.05 0.00 0.00 1.90 1.57 -1.53 -2.68 116.57 115.88 3khh h LYS 66 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3khh h LYS 66 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3khh h LYS 66 CO 0.05 0.27 -0.68 0.82 -0.57 0.00 0.00 179.45 179.34 3khh h ILE 67 N 0.00 0.31 -2.92 1.86 2.04 -0.81 -3.44 117.51 114.55 3khh h ILE 67 Ca -0.00 -1.38 -0.61 0.00 1.00 0.00 0.00 64.86 63.87 3khh h ILE 67 Cb 0.53 0.73 -0.42 0.00 -0.74 0.00 0.00 36.82 36.93 3khh h ILE 67 CO 0.04 0.11 -0.62 0.18 0.00 0.00 0.00 178.15 177.85 3khh n LEU 68 N -4.58 2.74 0.21 1.44 4.77 0.22 -4.93 117.00 116.87 3khh n LEU 68 Ca -0.14 -5.15 0.15 0.00 -0.03 0.00 0.00 56.01 50.84 3khh n LEU 68 Cb 0.37 -0.61 0.61 0.00 -2.33 0.00 0.00 43.42 41.47 3khh n LEU 68 CO 0.13 1.80 0.94 1.55 -1.33 0.00 0.00 177.39 180.47 3khh h PRO 69 N 5.27 0.00 -0.30 3.23 0.13 -1.69 -2.72 132.00 135.93 3khh h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3khh h PRO 69 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3khh h PRO 69 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 3khh n ASN 70 N -2.70 3.35 -4.71 1.44 3.02 -1.26 -4.99 115.26 109.41 3khh n ASN 70 Ca 0.01 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.27 3khh n ASN 70 Cb 0.26 -0.19 0.14 0.00 -0.61 0.00 0.00 39.78 39.39 3khh n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khh s ALA 71 N -1.62 1.49 -0.22 5.41 0.00 -1.03 -4.96 121.76 120.84 3khh s ALA 71 Ca 0.36 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 3khh s ALA 71 Cb 0.22 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3khh s ALA 71 CO 0.31 -2.41 0.57 0.08 0.00 0.00 0.00 175.76 174.31 3khh s VAL 72 N -2.89 5.05 -0.29 0.00 1.01 -0.27 -4.98 120.40 118.03 3khh s VAL 72 Ca 0.64 1.05 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 3khh s VAL 72 Cb -0.19 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3khh s VAL 72 CO 0.57 0.12 0.12 -0.31 0.00 0.00 0.00 175.10 175.60 3khh s TYR 73 N 1.96 3.15 -0.02 5.22 2.02 -1.26 -0.21 117.35 128.21 3khh s TYR 73 Ca 0.25 -0.61 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3khh s TYR 73 Cb -0.16 -2.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.07 3khh s TYR 73 CO 0.10 -0.45 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.99 3khh s LEU 74 N 1.59 2.86 0.44 -1.29 1.43 0.67 -4.97 118.68 119.40 3khh s LEU 74 Ca 0.05 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 3khh s LEU 74 Cb -0.17 -1.63 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 3khh s LEU 74 CO 0.05 0.31 1.22 -2.16 0.23 0.00 0.00 176.35 176.00 3khh s PRO 75 N -1.08 3.83 0.10 1.29 0.04 -1.26 -0.15 135.00 137.77 3khh s PRO 75 Ca 0.14 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 3khh s PRO 75 Cb -0.11 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 3khh s PRO 75 CO 0.03 -0.54 0.84 0.00 0.04 0.00 0.00 177.00 177.37 3khh s MET 76 N -2.49 4.60 -0.69 4.56 0.23 -1.10 -4.75 119.30 119.66 3khh s MET 76 Ca 0.61 1.23 0.05 0.00 -1.03 0.00 0.00 55.69 56.55 3khh s MET 76 Cb -0.33 -3.34 0.19 0.00 -1.53 0.00 0.00 34.83 29.82 3khh s MET 76 CO 0.41 0.33 0.56 0.54 -2.03 0.00 0.00 175.02 174.82 3khh n ARG 77 N 2.51 2.00 -0.30 3.16 1.74 -1.26 -4.95 116.66 119.55 3khh n ARG 77 Ca -0.01 -4.53 0.07 0.00 -0.77 0.00 0.00 57.85 52.60 3khh n ARG 77 Cb 0.49 -2.28 0.28 0.00 -1.02 0.00 0.00 32.46 29.93 3khh n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khh h LYS 78 N 5.08 0.91 -0.87 5.56 3.64 -1.99 -1.43 116.57 127.46 3khh h LYS 78 Ca 0.16 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3khh h LYS 78 Cb 0.73 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 3khh h LYS 78 CO 0.75 0.60 0.57 1.05 -2.27 0.00 0.00 179.45 180.15 3khh h GLU 79 N 0.94 1.06 -0.22 1.90 9.09 -1.99 0.27 114.58 125.62 3khh h GLU 79 Ca 0.43 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.75 3khh h GLU 79 Cb 0.39 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3khh h GLU 79 CO -0.19 0.70 0.05 0.28 0.05 0.00 0.00 179.01 179.90 3khh h VAL 80 N 1.09 1.22 0.00 -1.06 2.07 -1.70 -2.95 116.25 114.92 3khh h VAL 80 Ca 0.34 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3khh h VAL 80 Cb 0.00 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3khh h VAL 80 CO -0.10 0.22 -0.19 1.88 0.02 0.00 0.00 177.57 179.40 3khh h TYR 81 N 0.18 0.00 -0.21 1.57 0.05 -1.06 -2.59 116.97 114.91 3khh h TYR 81 Ca 0.07 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.66 3khh h TYR 81 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 3khh h TYR 81 CO 0.01 0.19 -0.60 0.37 -1.05 0.00 0.00 178.16 177.08 3khh h GLN 82 N 0.00 0.78 0.90 4.88 5.75 -0.90 -1.75 115.11 124.76 3khh h GLN 82 Ca -0.00 -0.56 -0.04 0.00 -0.15 0.00 0.00 58.65 57.90 3khh h GLN 82 Cb 0.53 0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.18 3khh h GLN 82 CO 0.02 1.18 -0.44 0.37 -2.65 0.00 0.00 178.83 177.31 3khh h GLN 83 N 0.52 -1.17 -0.42 1.69 5.75 -1.30 -1.34 115.11 118.83 3khh h GLN 83 Ca -0.02 0.08 0.09 0.00 -0.15 0.00 0.00 58.65 58.65 3khh h GLN 83 Cb 1.22 0.27 -0.08 0.00 1.07 0.00 0.00 27.48 29.96 3khh h GLN 83 CO 0.13 -0.78 -0.13 0.28 -2.65 0.00 0.00 178.83 175.68 3khh h VAL 84 N -1.22 0.53 -0.34 2.39 2.07 -1.52 -1.03 116.25 117.12 3khh h VAL 84 Ca -0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.47 3khh h VAL 84 Cb 0.94 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 3khh h VAL 84 CO 0.19 0.00 -0.18 -1.28 0.02 0.00 0.00 177.57 176.32 3khh h SER 85 N -0.04 -0.61 -0.39 0.57 0.87 -1.23 -1.45 113.55 111.27 3khh h SER 85 Ca 0.20 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 3khh h SER 85 Cb 0.35 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 3khh h SER 85 CO -0.45 -0.22 0.23 0.28 -0.53 0.00 0.00 176.83 176.14 3khh h SER 86 N -0.13 0.49 -0.26 6.23 0.02 -0.03 0.89 113.55 120.75 3khh h SER 86 Ca 0.17 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3khh h SER 86 Cb 0.40 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3khh h SER 86 CO -0.43 0.39 -0.10 0.03 -1.14 0.00 0.00 176.83 175.58 3khh h ARG 87 N 0.56 0.67 -0.41 3.45 3.08 -0.49 -2.01 114.38 119.23 3khh h ARG 87 Ca 0.15 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3khh h ARG 87 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3khh h ARG 87 CO -0.03 0.76 -0.26 0.82 -1.07 0.00 0.00 179.97 180.19 3khh h ILE 88 N 0.61 1.28 -0.95 2.04 2.04 0.05 -2.80 117.51 119.77 3khh h ILE 88 Ca 0.11 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3khh h ILE 88 Cb 0.54 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3khh h ILE 88 CO 0.03 0.48 0.60 0.24 0.00 0.00 0.00 178.15 179.50 3khh h MET 89 N 0.72 1.28 -0.93 2.37 2.86 -0.78 -1.22 114.93 119.22 3khh h MET 89 Ca 0.08 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3khh h MET 89 Cb 0.83 -0.28 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 3khh h MET 89 CO 0.07 0.87 0.60 -0.91 1.06 0.00 0.00 176.91 178.61 3khh h ASN 90 N 1.31 0.99 -0.01 1.22 2.35 -1.28 0.06 115.58 120.21 3khh h ASN 90 Ca 0.35 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3khh h ASN 90 Cb -0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3khh h ASN 90 CO -0.07 0.66 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.16 3khh h LEU 91 N 1.14 0.29 -0.41 1.61 3.38 -1.02 -2.58 115.31 117.72 3khh h LEU 91 Ca 0.38 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3khh h LEU 91 Cb 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3khh h LEU 91 CO -0.14 0.46 -0.66 -0.07 0.09 0.00 0.00 178.44 178.12 3khh h LEU 92 N 0.29 0.62 -1.53 1.67 3.38 -0.10 -3.10 115.31 116.54 3khh h LEU 92 Ca 0.06 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3khh h LEU 92 Cb 0.43 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3khh h LEU 92 CO 0.03 1.12 0.35 0.03 0.09 0.00 0.00 178.44 180.05 3khh h ARG 93 N 0.39 0.60 0.00 1.13 3.08 -0.64 -1.04 114.38 117.89 3khh h ARG 93 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3khh h ARG 93 Cb 1.23 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3khh h ARG 93 CO 0.12 0.40 0.00 -0.85 -1.07 0.00 0.00 179.97 178.57 3khh n GLU 94 N -4.47 0.25 -0.13 0.04 0.28 -1.10 -2.87 120.64 112.65 3khh n GLU 94 Ca 0.06 0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 56.98 3khh n GLU 94 Cb 0.13 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.39 3khh n GLU 94 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3khh n TYR 95 N -1.28 0.00 -3.81 -1.84 4.01 -0.43 -4.99 117.16 108.82 3khh n TYR 95 Ca 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.70 3khh n TYR 95 Cb 0.14 -0.98 -0.13 0.00 -0.31 0.00 0.00 39.34 38.06 3khh n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khh s SER 96 N -6.63 -0.15 0.13 7.72 0.15 -1.01 -5.00 113.70 108.92 3khh s SER 96 Ca -0.35 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 3khh s SER 96 Cb 0.10 0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 3khh s SER 96 CO 0.57 -0.06 1.30 -0.33 1.20 0.00 0.00 173.24 175.92 3khh h GLU 97 N 6.06 0.26 -5.75 5.44 5.08 -1.88 -3.37 114.58 120.43 3khh h GLU 97 Ca -0.27 -0.32 -0.32 0.00 -1.00 0.00 0.00 59.36 57.45 3khh h GLU 97 Cb 1.19 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 3khh h GLU 97 CO 0.42 1.06 0.82 0.15 -1.00 0.00 0.00 179.01 180.45 3khh s LYS 98 N -3.08 2.57 0.04 2.33 3.01 -1.26 -4.95 119.74 118.40 3khh s LYS 98 Ca -0.04 -0.18 0.04 0.00 -1.01 0.00 0.00 55.97 54.78 3khh s LYS 98 Cb 0.09 -4.98 -0.02 0.00 -1.01 0.00 0.00 37.83 31.91 3khh s LYS 98 CO 0.85 -3.29 -0.11 0.96 0.51 0.00 0.00 175.35 174.27 3khh s ILE 99 N 9.92 0.87 -0.26 2.17 -4.36 -1.26 -2.60 121.20 125.68 3khh s ILE 99 Ca 0.70 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 60.14 3khh s ILE 99 Cb -0.07 -0.83 0.06 0.00 1.25 0.00 0.00 42.46 42.87 3khh s ILE 99 CO 0.02 -0.12 -0.07 -0.70 0.24 0.00 0.00 174.94 174.31 3khh s GLU 100 N -1.22 1.87 -0.58 0.37 2.12 -0.55 -4.34 118.70 116.37 3khh s GLU 100 Ca -0.02 -1.24 -0.27 0.00 0.36 0.00 0.00 54.97 53.79 3khh s GLU 100 Cb -0.08 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.55 3khh s GLU 100 CO 0.01 -0.63 1.51 0.42 -0.54 0.00 0.00 175.26 176.03 3khh s ILE 101 N 1.22 3.67 0.12 -3.70 -1.09 -1.26 -0.98 121.20 119.18 3khh s ILE 101 Ca -0.05 0.53 0.07 0.00 -2.23 0.00 0.00 60.65 58.97 3khh s ILE 101 Cb -0.19 -4.36 -0.21 0.00 -1.58 0.00 0.00 42.46 36.12 3khh s ILE 101 CO -0.06 -1.17 1.29 0.00 -1.23 0.00 0.00 174.94 173.76 3khh h ALA 102 N 11.80 0.36 -1.50 9.38 0.00 -1.17 -3.44 119.26 134.68 3khh h ALA 102 Ca -0.27 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3khh h ALA 102 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3khh h ALA 102 CO 1.19 1.23 0.00 -1.13 0.00 0.00 0.00 179.25 180.54 3khh n SER 103 N -3.37 0.00 0.28 0.00 3.41 -1.07 -4.94 113.62 107.93 3khh n SER 103 Ca -0.00 -0.97 0.13 0.00 -0.26 0.00 0.00 58.87 57.77 3khh n SER 103 Cb 0.93 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.71 3khh n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3khh h ILE 104 N 0.97 0.66 0.00 -1.33 2.10 -1.99 -3.07 117.51 114.85 3khh h ILE 104 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3khh h ILE 104 Cb 0.00 0.99 -0.02 0.00 -1.09 0.00 0.00 36.82 36.70 3khh h ILE 104 CO 0.00 0.00 -0.27 -0.90 -1.08 0.00 0.00 178.15 175.90 3khh n ASP 105 N -4.05 1.37 -3.78 2.19 5.75 -1.26 -4.76 116.55 112.01 3khh n ASP 105 Ca -0.03 -2.69 -0.15 0.00 -0.01 0.00 0.00 54.79 51.91 3khh n ASP 105 Cb 0.10 -0.35 -0.16 0.00 -1.03 0.00 0.00 41.12 39.68 3khh n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khh s GLU 106 N -1.70 0.03 -0.06 0.11 2.02 -1.16 -1.14 118.70 116.80 3khh s GLU 106 Ca 0.21 0.17 -0.06 0.00 0.02 0.00 0.00 54.97 55.31 3khh s GLU 106 Cb 0.19 -0.30 0.02 0.00 0.10 0.00 0.00 34.13 34.14 3khh s GLU 106 CO 0.00 -0.16 0.17 0.00 0.02 0.00 0.00 175.26 175.29 3khh s ALA 107 N 1.06 -0.41 0.07 5.21 0.00 -0.52 -0.51 121.76 126.66 3khh s ALA 107 Ca -0.09 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 3khh s ALA 107 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3khh s ALA 107 CO -0.03 -0.08 0.29 0.71 0.00 0.00 0.00 175.76 176.66 3khh s TYR 108 N 0.11 3.53 -0.03 0.00 2.02 -0.15 -0.51 117.35 122.32 3khh s TYR 108 Ca -0.00 0.50 0.02 0.00 -0.37 0.00 0.00 57.07 57.22 3khh s TYR 108 Cb -0.01 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3khh s TYR 108 CO 0.00 0.55 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.93 3khh s LEU 109 N -2.23 1.76 -0.36 -1.29 1.02 0.17 -1.48 118.68 116.28 3khh s LEU 109 Ca 0.34 -0.18 -0.20 0.00 0.02 0.00 0.00 54.13 54.10 3khh s LEU 109 Cb -0.13 -0.54 0.00 0.00 0.02 0.00 0.00 46.19 45.54 3khh s LEU 109 CO 0.22 0.06 0.63 -0.62 0.02 0.00 0.00 176.35 176.66 3khh s ASP 110 N 0.24 6.42 -0.08 2.29 -1.08 -1.07 -0.40 116.67 122.99 3khh s ASP 110 Ca -0.04 0.13 0.12 0.00 -0.52 0.00 0.00 52.55 52.24 3khh s ASP 110 Cb -0.09 -2.32 0.33 0.00 -1.46 0.00 0.00 42.92 39.38 3khh s ASP 110 CO 0.01 -0.60 1.25 2.30 0.52 0.00 0.00 175.17 178.65 3khh n ILE 111 N 5.59 1.56 -0.29 4.11 -5.35 -0.68 -4.74 119.36 119.57 3khh n ILE 111 Ca -0.01 -1.48 0.06 0.00 -0.27 0.00 0.00 62.75 61.05 3khh n ILE 111 Cb 0.49 0.14 0.20 0.00 -1.74 0.00 0.00 39.64 38.73 3khh n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khh h SER 112 N 1.33 0.52 -0.05 7.28 0.02 -1.86 0.12 113.55 120.91 3khh h SER 112 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3khh h SER 112 Cb 0.97 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3khh h SER 112 CO 0.08 0.24 0.00 0.47 -1.14 0.00 0.00 176.83 176.47 3khh n ASP 113 N -4.86 0.98 -0.04 3.07 8.00 -1.26 -3.79 116.55 118.65 3khh n ASP 113 Ca 0.16 -1.44 0.01 0.00 0.71 0.00 0.00 54.79 54.22 3khh n ASP 113 Cb 0.39 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.34 3khh n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khh n LYS 114 N -0.19 0.96 -4.33 -1.24 4.76 0.36 -5.03 118.16 113.45 3khh n LYS 114 Ca 0.18 -0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 3khh n LYS 114 Cb 0.25 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 31.93 3khh n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khh s VAL 115 N -2.79 0.91 -0.12 -0.18 -7.23 -0.77 -5.07 120.40 105.15 3khh s VAL 115 Ca -0.07 -2.02 0.17 0.00 -1.81 0.00 0.00 61.98 58.26 3khh s VAL 115 Cb 0.08 -2.44 -0.25 0.00 0.56 0.00 0.00 36.38 34.32 3khh s VAL 115 CO 0.67 -0.23 0.20 0.54 -0.31 0.00 0.00 175.10 175.97 3khh n ARG 116 N -0.44 0.87 -2.30 4.82 3.00 -1.26 -4.80 116.66 116.55 3khh n ARG 116 Ca -0.04 -0.07 -0.02 0.00 -0.01 0.00 0.00 57.85 57.71 3khh n ARG 116 Cb 0.65 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.65 3khh n ARG 116 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3khh n ASP 117 N -2.49 -0.72 0.20 0.55 5.68 -1.26 -5.06 116.55 113.45 3khh n ASP 117 Ca -0.20 -1.41 0.06 0.00 -0.50 0.00 0.00 54.79 52.74 3khh n ASP 117 Cb 0.88 1.17 0.38 0.00 -1.14 0.00 0.00 41.12 42.41 3khh n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3khh h TYR 118 N 1.38 0.00 0.34 2.11 0.05 -1.98 -2.15 116.97 116.72 3khh h TYR 118 Ca -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 3khh h TYR 118 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3khh h TYR 118 CO 0.00 0.34 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.20 3khh h ARG 119 N 0.00 -0.44 -0.22 4.88 2.43 -2.00 -1.46 114.38 117.57 3khh h ARG 119 Ca -0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3khh h ARG 119 Cb 0.82 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3khh h ARG 119 CO 0.04 -0.23 0.09 0.93 -1.51 0.00 0.00 179.97 179.29 3khh h GLU 120 N -0.56 0.30 -0.44 0.20 5.08 -1.96 -2.80 114.58 114.40 3khh h GLU 120 Ca -0.05 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3khh h GLU 120 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3khh h GLU 120 CO 0.08 0.26 0.05 0.00 -1.00 0.00 0.00 179.01 178.39 3khh h ALA 121 N 1.80 0.59 -0.78 3.43 0.00 -1.09 -1.90 119.26 121.30 3khh h ALA 121 Ca 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3khh h ALA 121 Cb 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 3khh h ALA 121 CO -0.01 0.33 0.44 -0.92 0.00 0.00 0.00 179.25 179.09 3khh h TYR 122 N 0.60 0.79 -0.43 0.00 3.20 -1.00 -0.90 116.97 119.23 3khh h TYR 122 Ca 0.13 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 3khh h TYR 122 Cb 0.42 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3khh h TYR 122 CO 0.03 0.33 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.71 3khh h ASN 123 N 0.74 0.93 -0.28 -2.11 -0.26 -1.41 -0.65 115.58 112.55 3khh h ASN 123 Ca 0.37 -0.36 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3khh h ASN 123 Cb 0.33 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 3khh h ASN 123 CO -0.24 1.13 0.15 0.25 -1.06 0.00 0.00 177.43 177.66 3khh h LEU 124 N 0.77 0.23 -0.51 1.61 5.85 -0.82 0.11 115.31 122.56 3khh h LEU 124 Ca 0.09 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3khh h LEU 124 Cb 0.82 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 3khh h LEU 124 CO 0.07 0.17 -0.22 1.23 -0.34 0.00 0.00 178.44 179.35 3khh h GLY 125 N 0.31 0.15 0.81 3.75 0.00 -0.96 0.30 103.07 107.43 3khh h GLY 125 Ca 0.11 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.77 3khh h GLY 125 CO -0.07 -0.22 0.63 1.41 0.00 0.00 0.00 176.54 178.30 3khh h LEU 126 N -0.10 1.03 -0.39 3.11 3.38 -0.36 0.23 115.31 122.21 3khh h LEU 126 Ca 0.24 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3khh h LEU 126 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3khh h LEU 126 CO -0.58 0.68 0.07 -0.08 0.09 0.00 0.00 178.44 178.63 3khh h GLU 127 N 1.19 0.64 0.26 1.13 4.81 0.32 -0.39 114.58 122.53 3khh h GLU 127 Ca 0.40 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3khh h GLU 127 Cb 0.08 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3khh h GLU 127 CO -0.15 0.68 -0.13 0.82 -0.73 0.00 0.00 179.01 179.51 3khh h ILE 128 N 0.49 0.79 -1.00 2.32 2.04 0.51 0.20 117.51 122.85 3khh h ILE 128 Ca 0.12 -0.37 0.22 0.00 1.00 0.00 0.00 64.86 65.83 3khh h ILE 128 Cb 0.35 1.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.32 3khh h ILE 128 CO 0.01 0.08 0.61 0.11 0.00 0.00 0.00 178.15 178.96 3khh h LYS 129 N -0.54 0.61 -0.34 2.37 1.57 -0.60 -1.45 116.57 118.19 3khh h LYS 129 Ca -0.04 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 3khh h LYS 129 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3khh h LYS 129 CO 0.06 0.41 -0.43 -0.97 -0.57 0.00 0.00 179.45 177.95 3khh h ASN 130 N 0.63 0.92 -0.25 0.86 -1.24 -0.27 -2.83 115.58 113.41 3khh h ASN 130 Ca 0.60 -0.44 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 3khh h ASN 130 Cb 1.11 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 3khh h ASN 130 CO -0.39 1.22 -0.04 0.50 -1.29 0.00 0.00 177.43 177.43 3khh h LYS 131 N 0.69 0.46 -0.49 6.67 1.63 0.37 -1.39 116.57 124.52 3khh h LYS 131 Ca 0.05 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 3khh h LYS 131 Cb 1.01 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 3khh h LYS 131 CO 0.10 0.68 0.22 0.82 -3.45 0.00 0.00 179.45 177.82 3khh h ILE 132 N 0.21 1.20 -0.69 2.00 1.08 -1.40 0.28 117.51 120.20 3khh h ILE 132 Ca 0.06 -0.58 -0.06 0.00 -0.39 0.00 0.00 64.86 63.90 3khh h ILE 132 Cb 0.49 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 3khh h ILE 132 CO 0.02 0.22 0.19 0.25 -0.69 0.00 0.00 178.15 178.15 3khh h LEU 133 N 0.64 1.02 0.70 1.44 6.46 -1.50 0.53 115.31 124.60 3khh h LEU 133 Ca 0.17 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3khh h LEU 133 Cb 0.14 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3khh h LEU 133 CO -0.02 0.97 -0.34 -0.08 -0.62 0.00 0.00 178.44 178.35 3khh h GLU 134 N 1.01 -0.90 0.00 1.25 4.81 -0.82 -1.27 114.58 118.66 3khh h GLU 134 Ca 0.22 0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3khh h GLU 134 Cb 0.33 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3khh h GLU 134 CO -0.00 -0.58 -0.87 0.87 -0.73 0.00 0.00 179.01 177.69 3khh h LYS 135 N -1.01 0.00 0.00 1.92 1.57 -0.32 -3.38 116.57 115.36 3khh h LYS 135 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3khh h LYS 135 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3khh h LYS 135 CO 0.16 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.74 3khh n GLU 136 N -3.01 1.52 -3.70 3.15 -0.58 0.18 -5.04 120.64 113.16 3khh n GLU 136 Ca -0.02 -0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.36 3khh n GLU 136 Cb 0.73 -0.52 0.04 0.00 -0.57 0.00 0.00 31.44 31.12 3khh n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khh n LYS 137 N -0.26 -5.27 -4.13 3.49 5.02 -0.48 -4.95 118.16 111.59 3khh n LYS 137 Ca 0.00 0.65 -0.28 0.00 -2.02 0.00 0.00 58.31 56.66 3khh n LYS 137 Cb 0.06 -5.31 -0.17 0.00 -0.02 0.00 0.00 35.03 29.59 3khh n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3khh s ILE 138 N -3.58 1.31 0.18 -0.18 -1.09 -1.23 -4.89 121.20 111.72 3khh s ILE 138 Ca 0.11 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.73 3khh s ILE 138 Cb -0.05 -1.25 -0.07 0.00 -1.58 0.00 0.00 42.46 39.50 3khh s ILE 138 CO 0.80 0.41 0.98 0.42 -1.23 0.00 0.00 174.94 176.32 3khh s THR 139 N 1.37 4.20 0.21 2.92 -4.23 -1.26 -3.58 115.64 115.28 3khh s THR 139 Ca 0.00 1.99 0.04 0.00 -1.18 0.00 0.00 61.69 62.55 3khh s THR 139 Cb -0.13 -4.27 -0.05 0.00 1.34 0.00 0.00 72.50 69.39 3khh s THR 139 CO -0.06 0.38 -0.04 0.68 -0.54 0.00 0.00 174.62 175.04 3khh s VAL 140 N -0.53 1.15 -0.06 2.29 -7.23 -1.26 -2.08 120.40 112.67 3khh s VAL 140 Ca 0.45 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3khh s VAL 140 Cb -0.26 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 3khh s VAL 140 CO 0.32 -0.45 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.65 3khh s THR 141 N -3.35 3.22 -0.15 5.32 2.01 0.33 -3.88 115.64 119.13 3khh s THR 141 Ca 0.25 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3khh s THR 141 Cb 0.04 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 3khh s THR 141 CO 0.07 0.59 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.77 3khh s VAL 142 N -0.63 3.02 -0.14 3.82 1.01 -0.47 -1.36 120.40 125.65 3khh s VAL 142 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3khh s VAL 142 Cb -0.11 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3khh s VAL 142 CO 0.01 0.51 -0.15 -0.83 0.00 0.00 0.00 175.10 174.64 3khh s GLY 143 N 0.63 1.49 -0.10 4.51 0.00 0.41 -1.73 107.32 112.54 3khh s GLY 143 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.70 3khh s GLY 143 CO 0.03 -0.08 -0.19 -0.42 0.00 0.00 0.00 173.10 172.43 3khh s ILE 144 N 0.61 1.73 0.05 0.90 1.01 0.02 0.44 121.20 125.96 3khh s ILE 144 Ca -0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 3khh s ILE 144 Cb -0.16 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3khh s ILE 144 CO 0.03 0.49 0.09 -0.24 0.00 0.00 0.00 174.94 175.31 3khh n SER 145 N 3.77 -0.26 0.00 3.58 2.88 -0.75 -0.70 113.62 122.15 3khh n SER 145 Ca -0.20 -1.20 0.14 0.00 -1.33 0.00 0.00 58.87 56.28 3khh n SER 145 Cb 0.52 0.43 0.57 0.00 -0.75 0.00 0.00 64.21 64.99 3khh n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3khh n LYS 146 N -0.06 0.00 -3.91 -1.46 2.85 -1.26 -0.34 118.16 113.97 3khh n LYS 146 Ca -0.01 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.16 3khh n LYS 146 Cb 0.07 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.90 3khh n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3khh s ASN 147 N -3.01 -0.14 0.17 -5.58 2.20 -1.26 -4.52 114.94 102.80 3khh s ASN 147 Ca 0.14 -0.77 -0.16 0.00 -0.94 0.00 0.00 52.86 51.12 3khh s ASN 147 Cb 0.19 0.58 0.11 0.00 -2.00 0.00 0.00 41.25 40.13 3khh s ASN 147 CO 0.55 -1.12 1.69 0.11 -2.94 0.00 0.00 177.10 175.39 3khh h LYS 148 N 2.24 0.07 -0.13 3.55 1.57 -1.91 -0.23 116.57 121.74 3khh h LYS 148 Ca -0.26 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3khh h LYS 148 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3khh h LYS 148 CO 0.36 0.05 0.07 0.28 -0.57 0.00 0.00 179.45 179.63 3khh h VAL 149 N 0.07 1.10 -0.19 0.50 2.07 -1.97 -1.35 116.25 116.49 3khh h VAL 149 Ca 0.20 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 3khh h VAL 149 Cb 0.28 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3khh h VAL 149 CO -0.35 0.09 -0.54 -0.26 0.02 0.00 0.00 177.57 176.53 3khh h PHE 150 N 0.10 0.68 -0.84 1.57 0.04 -1.93 -1.63 116.94 114.93 3khh h PHE 150 Ca 0.05 -0.24 0.10 0.00 2.80 0.00 0.00 57.97 60.68 3khh h PHE 150 Cb 0.08 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.03 3khh h PHE 150 CO -0.04 0.96 0.47 0.00 -0.60 0.00 0.00 178.31 179.10 3khh h ALA 151 N 0.99 1.21 -0.12 2.45 0.00 -0.91 -0.34 119.26 122.54 3khh h ALA 151 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3khh h ALA 151 Cb 1.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3khh h ALA 151 CO 0.10 0.07 0.01 -0.22 0.00 0.00 0.00 179.25 179.21 3khh h LYS 152 N 0.77 0.21 -0.67 0.00 1.63 -0.76 -2.60 116.57 115.16 3khh h LYS 152 Ca 0.41 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3khh h LYS 152 Cb 0.41 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 3khh h LYS 152 CO -0.27 0.43 0.42 0.82 -3.45 0.00 0.00 179.45 177.41 3khh h ILE 153 N -0.04 1.18 -0.41 2.00 2.04 -1.04 -1.76 117.51 119.49 3khh h ILE 153 Ca 0.04 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3khh h ILE 153 Cb 0.33 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 3khh h ILE 153 CO 0.00 0.18 -0.51 0.00 0.00 0.00 0.00 178.15 177.82 3khh h ALA 154 N 1.23 -0.66 -0.79 1.87 0.00 -0.99 -1.38 119.26 118.54 3khh h ALA 154 Ca 0.24 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3khh h ALA 154 Cb -0.07 1.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3khh h ALA 154 CO -0.05 -0.99 0.52 0.00 0.00 0.00 0.00 179.25 178.73 3khh h ALA 155 N 0.12 1.63 -0.21 0.00 0.00 -1.06 -0.83 119.26 118.92 3khh h ALA 155 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3khh h ALA 155 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3khh h ALA 155 CO -0.59 0.24 0.12 -0.44 0.00 0.00 0.00 179.25 178.58 3khh h ASP 156 N 0.86 0.24 1.67 0.00 3.32 -0.41 -1.30 116.42 120.80 3khh h ASP 156 Ca 0.34 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 3khh h ASP 156 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3khh h ASP 156 CO -0.12 0.19 -0.31 0.24 -1.72 0.00 0.00 179.24 177.52 3khh h MET 157 N 0.28 0.00 -0.00 3.56 2.86 -0.17 -3.32 114.93 118.13 3khh h MET 157 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3khh h MET 157 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3khh h MET 157 CO -0.01 0.31 -0.76 0.00 1.06 0.00 0.00 176.91 177.51 3khh n ALA 158 N -2.18 4.11 -1.68 6.32 0.00 -0.89 -5.00 120.51 121.19 3khh n ALA 158 Ca 0.03 -0.47 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 3khh n ALA 158 Cb 0.65 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 3khh n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3khh n LYS 159 N -1.35 2.05 -1.69 0.00 5.02 -0.54 -3.28 118.16 118.38 3khh n LYS 159 Ca 0.03 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.95 3khh n LYS 159 Cb 0.26 -2.36 0.04 0.00 -0.02 0.00 0.00 35.03 32.95 3khh n LYS 159 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3khh n PRO 160 N 1.60 0.53 -3.21 1.97 -0.04 -1.26 -4.93 135.00 129.66 3khh n PRO 160 Ca 0.10 -1.32 -0.16 0.00 -0.04 0.00 0.00 63.50 62.08 3khh n PRO 160 Cb 0.33 -0.21 -0.04 0.00 -0.04 0.00 0.00 33.50 33.53 3khh n PRO 160 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3khh n ASN 161 N -2.84 0.10 -4.67 3.54 5.15 -1.26 -4.87 115.26 110.41 3khh n ASN 161 Ca 0.08 -0.58 -0.27 0.00 -0.60 0.00 0.00 54.58 53.21 3khh n ASN 161 Cb 0.27 -0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 38.70 3khh n ASN 161 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3khh s GLY 162 N -3.21 2.44 -0.09 8.20 0.00 -1.20 -4.98 107.32 108.48 3khh s GLY 162 Ca 0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 44.72 42.57 3khh s GLY 162 CO 0.46 -2.02 0.23 -1.50 0.00 0.00 0.00 173.10 170.26 3khh s ILE 163 N -2.67 -0.02 -0.07 0.90 2.07 -1.26 -1.37 121.20 118.78 3khh s ILE 163 Ca 0.37 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.60 3khh s ILE 163 Cb 0.07 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.35 3khh s ILE 163 CO 0.20 0.03 0.23 -0.75 -1.91 0.00 0.00 174.94 172.74 3khh s LYS 164 N 0.67 0.32 -0.15 3.50 2.20 -0.70 -4.98 119.74 120.60 3khh s LYS 164 Ca -0.05 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.76 3khh s LYS 164 Cb -0.06 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 3khh s LYS 164 CO -0.04 -0.05 -0.06 0.08 -0.36 0.00 0.00 175.35 174.92 3khh s VAL 165 N -0.11 3.66 -0.49 4.02 1.01 -1.26 -0.80 120.40 126.42 3khh s VAL 165 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3khh s VAL 165 Cb -0.02 -2.58 0.10 0.00 0.00 0.00 0.00 36.38 33.87 3khh s VAL 165 CO 0.01 0.50 0.41 -0.63 0.00 0.00 0.00 175.10 175.39 3khh s ILE 166 N 0.34 5.03 1.06 2.22 1.01 0.13 -4.98 121.20 126.00 3khh s ILE 166 Ca -0.06 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 3khh s ILE 166 Cb -0.15 -4.11 0.22 0.00 0.01 0.00 0.00 42.46 38.43 3khh s ILE 166 CO 0.04 -0.69 1.13 1.51 0.00 0.00 0.00 174.94 176.93 3khh s ASP 167 N 2.91 2.19 0.44 3.58 -4.77 -1.26 -4.44 116.67 115.31 3khh s ASP 167 Ca 0.04 0.83 0.10 0.00 -3.30 0.00 0.00 52.55 50.21 3khh s ASP 167 Cb -0.26 -1.25 0.96 0.00 -1.09 0.00 0.00 42.92 41.27 3khh s ASP 167 CO 0.04 -3.36 2.06 0.44 0.70 0.00 0.00 175.17 175.05 3khh h ASP 168 N -2.06 0.31 -0.01 2.11 3.45 -1.99 -0.66 116.42 117.56 3khh h ASP 168 Ca -0.49 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 56.95 3khh h ASP 168 Cb 1.31 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3khh h ASP 168 CO 0.48 0.26 -0.01 -0.33 -1.57 0.00 0.00 179.24 178.07 3khh h GLU 169 N 0.35 0.03 -0.21 3.56 5.08 -1.99 -2.91 114.58 118.49 3khh h GLU 169 Ca 0.09 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3khh h GLU 169 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3khh h GLU 169 CO -0.01 0.48 -0.08 1.49 -1.00 0.00 0.00 179.01 179.89 3khh h GLU 170 N -0.43 0.33 -0.30 2.33 4.81 -1.76 0.14 114.58 119.69 3khh h GLU 170 Ca 0.00 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3khh h GLU 170 Cb 0.48 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 3khh h GLU 170 CO 0.00 0.42 -0.08 0.28 -0.73 0.00 0.00 179.01 178.90 3khh h VAL 171 N 0.32 0.69 -0.53 0.32 2.07 -1.18 0.40 116.25 118.34 3khh h VAL 171 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3khh h VAL 171 Cb 0.34 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3khh h VAL 171 CO 0.02 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.97 3khh h LYS 172 N -0.01 0.74 0.01 1.57 1.57 -0.80 -1.38 116.57 118.26 3khh h LYS 172 Ca 0.15 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3khh h LYS 172 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3khh h LYS 172 CO -0.31 0.57 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.05 3khh h ARG 173 N 0.74 -0.01 -0.50 3.15 2.43 0.04 -3.22 114.38 117.02 3khh h ARG 173 Ca 0.19 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3khh h ARG 173 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3khh h ARG 173 CO -0.03 0.31 0.23 -0.07 -1.51 0.00 0.00 179.97 178.90 3khh h LEU 174 N -0.32 0.62 -2.15 3.80 3.38 0.08 0.34 115.31 121.06 3khh h LEU 174 Ca -0.00 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3khh h LEU 174 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3khh h LEU 174 CO 0.00 0.54 0.24 0.40 0.09 0.00 0.00 178.44 179.71 3khh h ILE 175 N 0.70 0.55 0.00 1.22 2.04 -1.27 -0.85 117.51 119.89 3khh h ILE 175 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 3khh h ILE 175 Cb 0.09 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3khh h ILE 175 CO -0.02 0.00 -1.80 0.54 0.00 0.00 0.00 178.15 176.87 3khh n ARG 176 N -3.95 0.64 -0.05 2.37 1.74 -0.06 -1.88 116.66 115.48 3khh n ARG 176 Ca 0.03 -0.13 -0.06 0.00 -0.77 0.00 0.00 57.85 56.92 3khh n ARG 176 Cb 0.38 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 3khh n ARG 176 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3khh n GLU 177 N -2.15 1.49 -2.66 5.56 4.07 0.99 -4.92 120.64 123.03 3khh n GLU 177 Ca -0.06 0.03 -0.37 0.00 -0.06 0.00 0.00 57.16 56.69 3khh n GLU 177 Cb 0.51 -1.23 -0.05 0.00 -0.06 0.00 0.00 31.44 30.61 3khh n GLU 177 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3khh s LEU 178 N -5.13 4.30 0.11 4.31 2.96 -0.36 -5.00 118.68 119.87 3khh s LEU 178 Ca -0.09 1.96 -0.31 0.00 -0.22 0.00 0.00 54.13 55.47 3khh s LEU 178 Cb 0.03 -4.02 -0.09 0.00 0.50 0.00 0.00 46.19 42.62 3khh s LEU 178 CO 0.31 -0.22 1.52 -0.62 -1.32 0.00 0.00 176.35 176.02 3khh s ASP 179 N -1.50 6.69 0.48 3.68 3.68 -1.26 -4.43 116.67 124.01 3khh s ASP 179 Ca 0.52 2.45 0.23 0.00 2.13 0.00 0.00 52.55 57.88 3khh s ASP 179 Cb -0.22 -2.58 1.27 0.00 -1.45 0.00 0.00 42.92 39.95 3khh s ASP 179 CO 0.27 -0.78 1.90 -0.29 0.13 0.00 0.00 175.17 176.41 3khh h ILE 180 N 4.36 0.66 -0.28 4.11 6.09 -0.82 -1.47 117.51 130.15 3khh h ILE 180 Ca -0.42 -0.07 -0.03 0.00 -1.37 0.00 0.00 64.86 62.97 3khh h ILE 180 Cb 1.20 0.45 -0.02 0.00 0.47 0.00 0.00 36.82 38.92 3khh h ILE 180 CO 0.90 0.04 0.03 0.00 -3.07 0.00 0.00 178.15 176.05 3khh h ALA 181 N 1.62 1.53 0.00 0.18 0.00 -1.88 -2.38 119.26 118.33 3khh h ALA 181 Ca 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3khh h ALA 181 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3khh h ALA 181 CO -0.08 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 3khh n ASP 182 N -4.34 0.00 -4.71 0.00 10.43 -0.55 -4.67 116.55 112.70 3khh n ASP 182 Ca 0.01 -1.71 -0.39 0.00 2.57 0.00 0.00 54.79 55.27 3khh n ASP 182 Cb 0.20 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.11 3khh n ASP 182 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3khh s VAL 183 N -2.00 5.07 0.21 2.53 1.01 -0.90 -4.90 120.40 121.43 3khh s VAL 183 Ca 0.14 1.34 -0.32 0.00 0.00 0.00 0.00 61.98 63.14 3khh s VAL 183 Cb 0.06 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 3khh s VAL 183 CO 0.11 0.26 1.24 -2.65 0.00 0.00 0.00 175.10 174.05 3khh n PRO 184 N 3.83 1.52 -0.32 2.72 -0.02 -1.26 -1.95 135.00 139.53 3khh n PRO 184 Ca -0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3khh n PRO 184 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3khh n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khh n GLY 185 N 1.96 0.70 3.03 -1.23 0.00 -1.26 -5.03 105.19 103.37 3khh n GLY 185 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3khh n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khh s ILE 186 N -2.47 2.12 0.00 -0.61 -1.09 -0.82 -5.03 121.20 113.30 3khh s ILE 186 Ca 0.00 -1.89 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 3khh s ILE 186 Cb 0.00 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 3khh s ILE 186 CO 0.00 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.02 3khh n GLY 187 N 4.39 2.38 0.30 6.18 0.00 -1.26 -4.72 105.19 112.46 3khh n GLY 187 Ca -0.06 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.82 3khh n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khh h ASN 188 N 0.00 0.94 -0.39 1.61 4.21 -1.99 -2.18 115.58 117.78 3khh h ASN 188 Ca 0.00 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.32 3khh h ASN 188 Cb 0.00 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 36.94 3khh h ASN 188 CO 0.00 0.81 0.01 0.40 -1.29 0.00 0.00 177.43 177.36 3khh h ILE 189 N 1.01 1.26 -0.10 2.81 1.08 -2.00 -2.52 117.51 119.04 3khh h ILE 189 Ca 0.25 -0.98 -0.17 0.00 -0.39 0.00 0.00 64.86 63.57 3khh h ILE 189 Cb 0.11 1.12 0.01 0.00 -3.07 0.00 0.00 36.82 34.99 3khh h ILE 189 CO -0.03 0.33 -0.58 0.74 -0.69 0.00 0.00 178.15 177.92 3khh h THR 190 N 0.51 1.35 -0.86 -0.27 2.02 -1.93 -3.02 112.91 110.71 3khh h THR 190 Ca 0.11 -1.89 0.09 0.00 0.77 0.00 0.00 66.41 65.49 3khh h THR 190 Cb 0.46 2.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.99 3khh h THR 190 CO 0.02 0.57 0.51 0.00 0.37 0.00 0.00 175.52 176.99 3khh h ALA 191 N 0.47 1.23 -0.08 6.16 0.00 -1.42 -1.56 119.26 124.06 3khh h ALA 191 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3khh h ALA 191 Cb 1.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3khh h ALA 191 CO 0.12 0.15 -0.11 0.93 0.00 0.00 0.00 179.25 180.34 3khh h GLU 192 N 0.86 -0.15 -0.11 0.00 4.39 -1.44 0.69 114.58 118.83 3khh h GLU 192 Ca 0.41 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.15 3khh h GLU 192 Cb 0.34 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3khh h GLU 192 CO -0.24 -0.10 0.25 0.87 -1.16 0.00 0.00 179.01 178.64 3khh h LYS 193 N -0.15 0.00 0.01 2.33 6.56 -1.18 -0.58 116.57 123.55 3khh h LYS 193 Ca 0.07 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.25 3khh h LYS 193 Cb 0.25 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.85 3khh h LYS 193 CO -0.17 0.00 -2.43 1.28 -2.06 0.00 0.00 179.45 176.07 3khh n LEU 194 N -3.30 2.59 -0.07 2.94 4.77 -0.49 -3.98 117.00 119.46 3khh n LEU 194 Ca 0.00 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3khh n LEU 194 Cb 0.34 -0.90 0.22 0.00 -2.33 0.00 0.00 43.42 40.76 3khh n LEU 194 CO 0.20 0.80 0.93 0.11 -1.33 0.00 0.00 177.39 178.10 3khh h LYS 195 N -0.35 0.70 -0.79 3.23 1.57 0.53 0.29 116.57 121.76 3khh h LYS 195 Ca -0.60 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 57.98 3khh h LYS 195 Cb 1.80 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.98 3khh h LYS 195 CO -0.19 0.69 0.33 0.87 -0.57 0.00 0.00 179.45 180.58 3khh h LYS 196 N 0.67 1.17 -0.63 3.15 1.57 -1.31 -3.21 116.57 117.98 3khh h LYS 196 Ca 0.14 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3khh h LYS 196 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3khh h LYS 196 CO 0.01 0.94 0.00 1.28 -0.57 0.00 0.00 179.45 181.11 3khh n LEU 197 N -4.30 3.78 0.00 2.94 4.77 -0.97 -4.94 117.00 118.28 3khh n LEU 197 Ca 0.07 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3khh n LEU 197 Cb 0.18 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3khh n LEU 197 CO 0.40 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3khh n GLY 198 N 1.18 0.53 3.21 -0.72 0.00 -0.75 -5.04 105.19 103.60 3khh n GLY 198 Ca 0.21 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 3khh n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khh s ILE 199 N -2.00 3.98 -0.03 -0.61 1.09 0.96 -4.88 121.20 119.72 3khh s ILE 199 Ca 0.00 -1.70 0.06 0.00 -1.10 0.00 0.00 60.65 57.90 3khh s ILE 199 Cb 0.00 -3.57 -0.09 0.00 -1.06 0.00 0.00 42.46 37.74 3khh s ILE 199 CO 0.00 -0.65 0.09 0.59 -0.10 0.00 0.00 174.94 174.87 3khh n ASN 200 N 4.84 3.56 -4.80 3.58 5.03 -1.26 -3.67 115.26 122.54 3khh n ASN 200 Ca -0.08 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.14 3khh n ASN 200 Cb 0.42 1.00 -0.05 0.00 -1.02 0.00 0.00 39.78 40.12 3khh n ASN 200 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3khh s LYS 201 N -2.31 2.32 0.12 3.52 -0.14 -1.26 -0.09 119.74 121.90 3khh s LYS 201 Ca -0.03 -1.77 -0.15 0.00 -1.36 0.00 0.00 55.97 52.66 3khh s LYS 201 Cb 0.03 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 3khh s LYS 201 CO 0.25 -0.19 1.56 -0.07 -0.76 0.00 0.00 175.35 176.14 3khh h LEU 202 N 1.24 0.65 -1.90 3.17 3.38 -1.76 -3.24 115.31 116.85 3khh h LEU 202 Ca -0.42 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.40 3khh h LEU 202 Cb 1.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3khh h LEU 202 CO 0.65 0.81 0.42 1.62 0.09 0.00 0.00 178.44 182.03 3khh h VAL 203 N 0.48 0.74 0.00 1.22 3.04 -1.70 -0.30 116.25 119.73 3khh h VAL 203 Ca 0.11 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.76 3khh h VAL 203 Cb 0.48 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.39 3khh h VAL 203 CO 0.02 0.02 -0.00 0.44 -1.01 0.00 0.00 177.57 177.04 3khh h ASP 204 N 0.10 0.00 1.23 3.17 3.32 -1.86 -1.66 116.42 120.73 3khh h ASP 204 Ca 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3khh h ASP 204 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3khh h ASP 204 CO -0.03 0.00 -0.09 0.71 -1.72 0.00 0.00 179.24 178.12 3khh h THR 205 N 0.00 0.19 0.00 0.35 1.35 -1.23 -2.67 112.91 110.91 3khh h THR 205 Ca -0.00 -0.87 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 3khh h THR 205 Cb 0.01 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3khh h THR 205 CO 0.00 0.08 -0.37 -0.07 -0.25 0.00 0.00 175.52 174.92 3khh h LEU 206 N 0.00 0.00 0.08 3.87 3.38 -1.45 -3.29 115.31 117.90 3khh h LEU 206 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3khh h LEU 206 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3khh h LEU 206 CO 0.01 0.37 -0.04 0.28 0.09 0.00 0.00 178.44 179.15 3khh h SER 207 N 0.00 -0.09 -3.82 -0.43 0.02 -1.56 -3.46 113.55 104.21 3khh h SER 207 Ca -0.00 -0.39 -0.49 0.00 -0.84 0.00 0.00 61.79 60.07 3khh h SER 207 Cb 0.97 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3khh h SER 207 CO 0.05 0.36 0.42 -0.63 -1.14 0.00 0.00 176.83 175.88 3khh s ILE 208 N -4.32 3.75 0.41 3.27 1.09 -1.22 -5.01 121.20 119.17 3khh s ILE 208 Ca -0.15 1.66 -0.24 0.00 -1.10 0.00 0.00 60.65 60.82 3khh s ILE 208 Cb 0.02 -4.02 -0.08 0.00 -1.06 0.00 0.00 42.46 37.32 3khh s ILE 208 CO 0.62 0.32 1.12 -1.83 -0.10 0.00 0.00 174.94 175.08 3khh s GLU 209 N -1.60 4.03 0.25 2.79 4.04 -1.26 -4.95 118.70 122.00 3khh s GLU 209 Ca 0.46 1.70 -0.06 0.00 0.04 0.00 0.00 54.97 57.12 3khh s GLU 209 Cb -0.27 -2.57 0.28 0.00 0.02 0.00 0.00 34.13 31.59 3khh s GLU 209 CO 0.35 -0.30 1.93 0.35 -1.84 0.00 0.00 175.26 175.74 3khh h PHE 210 N 2.46 1.25 -0.43 4.83 3.57 -1.95 -3.02 116.94 123.65 3khh h PHE 210 Ca -0.49 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 60.93 3khh h PHE 210 Cb 1.23 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3khh h PHE 210 CO 0.56 0.79 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.81 3khh h ASP 211 N 1.35 0.84 1.13 0.41 3.32 -1.98 0.17 116.42 121.66 3khh h ASP 211 Ca 0.37 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3khh h ASP 211 Cb -0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 3khh h ASP 211 CO -0.08 1.01 -0.36 0.07 -1.72 0.00 0.00 179.24 178.16 3khh h LYS 212 N 0.73 0.00 0.09 3.56 2.10 -1.87 -0.26 116.57 120.92 3khh h LYS 212 Ca 0.11 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.51 3khh h LYS 212 Cb 0.69 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.05 3khh h LYS 212 CO 0.05 0.36 -1.03 1.25 -2.00 0.00 0.00 179.45 178.08 3khh h LEU 213 N 0.00 0.75 -0.04 7.07 5.85 -1.40 -3.32 115.31 124.21 3khh h LEU 213 Ca -0.00 -0.83 0.03 0.00 0.84 0.00 0.00 57.88 57.92 3khh h LEU 213 Cb 1.02 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3khh h LEU 213 CO 0.05 1.50 -0.13 0.50 -0.34 0.00 0.00 178.44 180.01 3khh h LYS 214 N 0.10 -0.19 -3.17 1.25 3.64 -0.49 -2.52 116.57 115.19 3khh h LYS 214 Ca -0.16 0.01 -0.69 0.00 -1.27 0.00 0.00 60.65 58.54 3khh h LYS 214 Cb 1.74 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 3khh h LYS 214 CO 0.20 -0.13 3.38 0.41 -2.27 0.00 0.00 179.45 181.04 3khh n GLY 215 N -1.26 4.47 0.37 5.01 0.00 -0.13 -0.84 105.19 112.82 3khh n GLY 215 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3khh n GLY 215 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3khh n MET 216 N 3.79 0.00 0.00 1.61 1.56 -1.18 -4.89 117.12 118.02 3khh n MET 216 Ca 0.69 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.12 3khh n MET 216 Cb 0.27 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.64 3khh n MET 216 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 3khh n ILE 217 N -1.56 0.04 0.00 1.12 -5.35 -0.96 -5.04 119.36 107.61 3khh n ILE 217 Ca 0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3khh n ILE 217 Cb 0.00 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3khh n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khh n GLY 218 N -0.02 0.63 0.26 3.28 0.00 -0.02 -4.24 105.19 105.08 3khh n GLY 218 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 3khh n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khh h GLU 219 N 0.00 0.65 0.54 1.61 4.81 -1.90 -2.28 114.58 118.01 3khh h GLU 219 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3khh h GLU 219 Cb 0.00 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.24 3khh h GLU 219 CO 0.00 0.43 -0.26 0.00 -0.73 0.00 0.00 179.01 178.45 3khh h ALA 220 N 1.35 -0.72 -0.53 2.92 0.00 -1.96 -1.24 119.26 119.08 3khh h ALA 220 Ca 0.30 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3khh h ALA 220 Cb 0.19 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3khh h ALA 220 CO -0.19 -0.79 0.35 0.87 0.00 0.00 0.00 179.25 179.49 3khh h LYS 221 N -0.95 0.65 0.62 0.00 1.57 -1.73 -0.61 116.57 116.11 3khh h LYS 221 Ca -0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3khh h LYS 221 Cb 0.62 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3khh h LYS 221 CO 0.12 0.43 -0.30 0.00 -0.57 0.00 0.00 179.45 179.13 3khh h ALA 222 N 1.68 -0.83 -0.97 3.86 0.00 -1.33 -0.38 119.26 121.29 3khh h ALA 222 Ca 0.20 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3khh h ALA 222 Cb -0.01 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3khh h ALA 222 CO -0.05 -0.85 0.61 0.87 0.00 0.00 0.00 179.25 179.83 3khh h LYS 223 N -1.06 0.78 -0.15 0.00 1.57 -1.14 -0.80 116.57 115.77 3khh h LYS 223 Ca -0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3khh h LYS 223 Cb 0.69 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3khh h LYS 223 CO 0.14 0.51 0.05 -0.92 -0.57 0.00 0.00 179.45 178.66 3khh h TYR 224 N 0.80 0.23 -0.11 -1.35 3.20 -0.94 -0.65 116.97 118.16 3khh h TYR 224 Ca 0.51 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.16 3khh h TYR 224 Cb 0.73 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3khh h TYR 224 CO -0.00 0.34 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.06 3khh h LEU 225 N 0.06 0.63 0.34 2.82 3.38 -0.66 -2.69 115.31 119.19 3khh h LEU 225 Ca 0.05 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3khh h LEU 225 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3khh h LEU 225 CO -0.00 1.16 -0.21 0.40 0.09 0.00 0.00 178.44 179.88 3khh h ILE 226 N 0.37 0.56 -1.00 1.22 1.08 -1.13 -1.78 117.51 116.83 3khh h ILE 226 Ca -0.03 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.65 3khh h ILE 226 Cb 1.31 0.56 -0.11 0.00 -3.07 0.00 0.00 36.82 35.51 3khh h ILE 226 CO 0.13 0.00 0.61 -1.28 -0.69 0.00 0.00 178.15 176.93 3khh h SER 227 N -0.53 0.69 -0.17 1.72 0.87 -1.10 0.85 113.55 115.88 3khh h SER 227 Ca -0.04 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 3khh h SER 227 Cb 0.44 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3khh h SER 227 CO 0.04 0.20 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.90 3khh h LEU 228 N 0.65 0.80 -0.34 2.23 3.38 -1.22 0.24 115.31 121.05 3khh h LEU 228 Ca 0.59 -0.60 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3khh h LEU 228 Cb 1.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3khh h LEU 228 CO -0.38 1.26 -0.58 0.00 0.09 0.00 0.00 178.44 178.83 3khh h ALA 229 N 0.56 0.51 0.00 1.53 0.00 -0.54 -2.50 119.26 118.82 3khh h ALA 229 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3khh h ALA 229 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3khh h ALA 229 CO 0.12 0.69 0.00 -2.13 0.00 0.00 0.00 179.25 177.93 3khh n ARG 230 N -3.98 0.00 -2.16 0.00 0.63 0.22 -4.85 116.66 106.52 3khh n ARG 230 Ca -0.04 0.22 -0.12 0.00 -0.92 0.00 0.00 57.85 56.98 3khh n ARG 230 Cb 0.64 -1.51 -0.01 0.00 0.45 0.00 0.00 32.46 32.03 3khh n ARG 230 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3khh n ASP 231 N -1.51 -3.93 -0.68 6.15 -0.08 -0.94 -4.92 116.55 110.63 3khh n ASP 231 Ca 0.04 0.02 0.07 0.00 -1.51 0.00 0.00 54.79 53.40 3khh n ASP 231 Cb 0.20 -3.09 0.13 0.00 2.34 0.00 0.00 41.12 40.70 3khh n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khh n GLU 232 N -2.21 2.03 -1.97 -0.67 1.02 0.79 -4.99 120.64 114.64 3khh n GLU 232 Ca -0.14 -1.82 -0.43 0.00 -0.02 0.00 0.00 57.16 54.75 3khh n GLU 232 Cb 0.59 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 3khh n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3khh s TYR 233 N -1.06 1.78 -0.38 -0.32 5.04 -0.93 -4.88 117.35 116.60 3khh s TYR 233 Ca 0.23 0.56 0.13 0.00 -2.44 0.00 0.00 57.07 55.55 3khh s TYR 233 Cb 0.13 -4.09 0.41 0.00 0.35 0.00 0.00 41.96 38.77 3khh s TYR 233 CO 0.18 -3.17 0.92 -1.71 -1.34 0.00 0.00 175.55 170.43 3khh n ASN 234 N 9.98 2.11 -4.65 4.32 5.15 -1.26 -4.84 115.26 126.07 3khh n ASN 234 Ca 0.23 -3.05 -0.41 0.00 -0.60 0.00 0.00 54.58 50.75 3khh n ASN 234 Cb 0.46 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 3khh n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3khh s GLU 235 N -3.04 4.20 0.73 1.20 0.41 -1.26 -5.04 118.70 115.89 3khh s GLU 235 Ca 0.36 0.69 -0.14 0.00 -0.41 0.00 0.00 54.97 55.47 3khh s GLU 235 Cb 0.40 -3.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.19 3khh s GLU 235 CO -0.05 -0.32 1.14 -1.25 -0.49 0.00 0.00 175.26 174.30 3khh s PRO 236 N 2.16 2.31 -0.60 0.39 0.04 -1.26 -4.73 135.00 133.31 3khh s PRO 236 Ca 0.30 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 3khh s PRO 236 Cb -0.16 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3khh s PRO 236 CO 0.10 -1.66 1.33 0.42 0.04 0.00 0.00 177.00 177.24 3khh s ILE 237 N -2.32 3.83 0.14 0.56 -1.09 -1.26 -5.02 121.20 116.05 3khh s ILE 237 Ca 0.69 0.69 0.09 0.00 -2.23 0.00 0.00 60.65 59.89 3khh s ILE 237 Cb -0.23 -4.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 3khh s ILE 237 CO 0.46 -1.34 -0.17 0.00 -1.23 0.00 0.00 174.94 172.67 3khh s ARG 238 N 5.42 1.81 0.02 2.79 1.70 -1.26 -4.76 118.95 124.67 3khh s ARG 238 Ca 0.47 -1.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 3khh s ARG 238 Cb -0.09 -2.09 -0.08 0.00 -0.57 0.00 0.00 34.95 32.12 3khh s ARG 238 CO 0.23 0.46 1.81 0.99 -1.08 0.00 0.00 175.30 177.71 3khh s THR 239 N -1.35 3.17 0.15 4.99 2.01 -1.26 -4.50 115.64 118.85 3khh s THR 239 Ca 0.20 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 3khh s THR 239 Cb -0.10 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 3khh s THR 239 CO 0.11 -0.02 0.92 -0.13 -0.69 0.00 0.00 174.62 174.81 3khh s ARG 240 N 3.95 4.73 -0.02 4.92 1.81 -1.26 -5.07 118.95 128.00 3khh s ARG 240 Ca 0.81 1.40 0.07 0.00 -1.72 0.00 0.00 55.73 56.30 3khh s ARG 240 Cb -0.39 -3.33 -0.02 0.00 -0.45 0.00 0.00 34.95 30.76 3khh s ARG 240 CO 0.36 0.36 -0.24 0.14 -0.68 0.00 0.00 175.30 175.23 3khh s VAL 241 N -0.52 1.93 0.10 3.52 -7.23 -1.26 -4.98 120.40 111.96 3khh s VAL 241 Ca 0.43 -1.04 -0.34 0.00 -1.81 0.00 0.00 61.98 59.22 3khh s VAL 241 Cb -0.24 -1.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.96 3khh s VAL 241 CO 0.30 0.55 1.64 -1.14 -0.31 0.00 0.00 175.10 176.14 3khh n ARG 242 N 2.56 2.14 0.00 4.82 3.00 -1.26 -4.88 116.66 123.03 3khh n ARG 242 Ca -0.16 0.77 0.03 0.00 -0.00 0.00 0.00 57.85 58.50 3khh n ARG 242 Cb 0.52 -2.56 -0.02 0.00 0.00 0.00 0.00 32.46 30.39 3khh n ARG 242 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3khh n LYS 243 N 4.15 3.80 -3.57 -0.14 5.02 -1.26 -5.03 118.16 121.13 3khh n LYS 243 Ca 0.18 -0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 3khh n LYS 243 Cb 0.29 -0.89 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 3khh n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khh s SER 244 N -1.45 -0.49 -0.07 4.39 1.04 -1.26 -3.98 113.70 111.88 3khh s SER 244 Ca 0.04 0.61 -0.00 0.00 0.48 0.00 0.00 55.95 57.08 3khh s SER 244 Cb 0.05 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3khh s SER 244 CO 0.25 -0.40 -0.04 -0.63 0.98 0.00 0.00 173.24 173.40 3khh s ILE 245 N -0.90 0.65 0.33 -1.02 -1.09 -0.55 -4.97 121.20 113.65 3khh s ILE 245 Ca -0.04 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 3khh s ILE 245 Cb -0.01 -0.71 -0.01 0.00 -1.58 0.00 0.00 42.46 40.15 3khh s ILE 245 CO 0.03 0.28 0.38 -0.83 -1.23 0.00 0.00 174.94 173.57 3khh s GLY 246 N 1.46 1.78 -0.25 6.18 0.00 -1.26 -0.70 107.32 114.54 3khh s GLY 246 Ca -0.02 -1.73 -0.22 0.00 0.00 0.00 0.00 44.72 42.75 3khh s GLY 246 CO -0.03 -1.20 0.65 -1.60 0.00 0.00 0.00 173.10 170.92 3khh s ARG 247 N -3.30 0.76 -0.03 2.90 6.06 -0.24 -4.87 118.95 120.22 3khh s ARG 247 Ca 0.35 0.93 0.05 0.00 -2.50 0.00 0.00 55.73 54.56 3khh s ARG 247 Cb 0.01 0.35 -0.01 0.00 0.06 0.00 0.00 34.95 35.36 3khh s ARG 247 CO 0.22 -0.10 -0.19 0.42 -2.50 0.00 0.00 175.30 173.15 3khh s ILE 248 N 0.45 1.57 0.03 4.11 1.01 -1.26 -1.36 121.20 125.75 3khh s ILE 248 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3khh s ILE 248 Cb -0.05 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3khh s ILE 248 CO -0.01 0.45 -0.23 0.68 0.00 0.00 0.00 174.94 175.83 3khh s VAL 249 N -0.19 1.84 -0.03 2.92 -7.23 -0.19 -4.99 120.40 112.54 3khh s VAL 249 Ca 0.01 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 58.79 3khh s VAL 249 Cb -0.10 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3khh s VAL 249 CO 0.01 0.32 0.50 -0.89 -0.31 0.00 0.00 175.10 174.73 3khh s THR 250 N -0.74 5.00 0.50 5.32 2.01 -1.26 -1.85 115.64 124.63 3khh s THR 250 Ca 0.09 1.04 -0.08 0.00 0.31 0.00 0.00 61.69 63.05 3khh s THR 250 Cb -0.09 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3khh s THR 250 CO 0.01 0.46 0.85 -0.04 -0.69 0.00 0.00 174.62 175.21 3khh s MET 251 N -0.33 3.60 0.10 4.92 -1.94 -0.48 -5.00 119.30 120.18 3khh s MET 251 Ca 0.27 0.40 -0.26 0.00 -1.71 0.00 0.00 55.69 54.39 3khh s MET 251 Cb -0.17 -2.30 -0.11 0.00 2.01 0.00 0.00 34.83 34.26 3khh s MET 251 CO 0.14 -0.27 1.68 0.87 -0.01 0.00 0.00 175.02 177.43 3khh h LYS 252 N 0.27 -0.33 -4.87 2.03 1.79 -1.98 -3.45 116.57 110.04 3khh h LYS 252 Ca -0.46 0.02 -0.31 0.00 -2.18 0.00 0.00 60.65 57.72 3khh h LYS 252 Cb 1.20 0.07 -0.18 0.00 -1.58 0.00 0.00 32.23 31.74 3khh h LYS 252 CO 0.62 -0.22 -0.73 -0.98 -1.08 0.00 0.00 179.45 177.06 3khh s ARG 253 N -6.12 0.78 0.40 3.15 1.04 -1.26 -5.13 118.95 111.80 3khh s ARG 253 Ca -0.15 -1.08 -0.27 0.00 -1.04 0.00 0.00 55.73 53.19 3khh s ARG 253 Cb 0.07 -0.47 -0.10 0.00 -2.04 0.00 0.00 34.95 32.41 3khh s ARG 253 CO 0.65 0.07 1.44 0.09 -0.04 0.00 0.00 175.30 177.51 3khh n ASN 254 N 0.74 3.47 -3.85 -2.89 3.02 -1.26 -4.89 115.26 109.59 3khh n ASN 254 Ca -0.17 1.18 -0.09 0.00 -0.03 0.00 0.00 54.58 55.47 3khh n ASN 254 Cb 0.57 -1.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.11 3khh n ASN 254 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3khh s SER 255 N -0.28 -0.22 -0.00 6.41 0.15 -0.60 -4.86 113.70 114.29 3khh s SER 255 Ca 0.56 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.57 3khh s SER 255 Cb -0.48 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3khh s SER 255 CO 0.61 -1.18 0.62 0.54 1.20 0.00 0.00 173.24 175.03 3khh n ARG 256 N -0.39 0.40 -2.95 5.44 1.74 -1.26 -0.77 116.66 118.86 3khh n ARG 256 Ca -0.06 -0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 55.90 3khh n ARG 256 Cb 0.61 -0.58 -0.05 0.00 -1.02 0.00 0.00 32.46 31.42 3khh n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khh s ASN 257 N -0.25 6.59 0.18 0.55 3.84 -1.26 -4.96 114.94 119.63 3khh s ASN 257 Ca 0.00 0.47 -0.14 0.00 0.21 0.00 0.00 52.86 53.41 3khh s ASN 257 Cb 0.00 -2.40 0.15 0.00 -0.55 0.00 0.00 41.25 38.45 3khh s ASN 257 CO 0.00 -0.69 1.74 0.25 -2.79 0.00 0.00 177.10 175.62 3khh h LEU 258 N 9.63 0.12 -1.15 3.21 5.85 -1.98 -0.78 115.31 130.22 3khh h LEU 258 Ca -0.25 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3khh h LEU 258 Cb 1.10 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3khh h LEU 258 CO 0.90 0.10 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.55 3khh h GLU 259 N 0.30 0.32 -0.11 1.25 4.39 -2.00 0.21 114.58 118.94 3khh h GLU 259 Ca 0.22 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 3khh h GLU 259 Cb 0.24 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3khh h GLU 259 CO -0.24 0.54 -0.66 1.49 -1.16 0.00 0.00 179.01 178.97 3khh h GLU 260 N 0.29 0.44 0.20 2.33 4.81 -1.88 -3.35 114.58 117.43 3khh h GLU 260 Ca 0.05 -0.33 -0.27 0.00 -0.13 0.00 0.00 59.36 58.68 3khh h GLU 260 Cb 0.56 0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.03 3khh h GLU 260 CO 0.04 0.95 -1.23 0.82 -0.73 0.00 0.00 179.01 178.86 3khh h ILE 261 N 0.32 1.33 -0.83 2.32 2.04 -0.62 -3.38 117.51 118.68 3khh h ILE 261 Ca -0.02 -2.60 0.16 0.00 1.00 0.00 0.00 64.86 63.40 3khh h ILE 261 Cb 1.22 3.07 -0.15 0.00 -0.74 0.00 0.00 36.82 40.22 3khh h ILE 261 CO 0.12 0.77 -0.23 0.29 0.00 0.00 0.00 178.15 179.09 3khh n LYS 262 N -3.89 -0.10 -0.26 2.37 5.02 0.69 -0.66 118.16 121.32 3khh n LYS 262 Ca -0.17 1.29 0.04 0.00 -2.02 0.00 0.00 58.31 57.45 3khh n LYS 262 Cb 0.98 -1.92 0.26 0.00 -0.02 0.00 0.00 35.03 34.32 3khh n LYS 262 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3khh h PRO 263 N 0.00 0.95 -0.43 1.97 0.11 -1.77 -0.23 132.00 132.61 3khh h PRO 263 Ca 0.37 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 3khh h PRO 263 Cb 0.58 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3khh h PRO 263 CO -0.85 0.63 -0.29 1.88 -0.21 0.00 0.00 178.00 179.16 3khh h TYR 264 N 0.98 1.09 -0.37 0.65 0.05 -1.14 -1.72 116.97 116.51 3khh h TYR 264 Ca 0.35 -0.29 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3khh h TYR 264 Cb 0.15 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3khh h TYR 264 CO -0.00 1.10 0.17 1.25 -1.05 0.00 0.00 178.16 179.63 3khh h LEU 265 N 0.79 0.50 -0.98 3.88 5.85 -1.01 -1.89 115.31 122.45 3khh h LEU 265 Ca 0.09 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3khh h LEU 265 Cb 0.86 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3khh h LEU 265 CO 0.08 0.50 0.20 -0.26 -0.34 0.00 0.00 178.44 178.62 3khh h PHE 266 N 0.46 0.96 -0.66 1.25 0.04 -1.00 -1.52 116.94 116.47 3khh h PHE 266 Ca 0.13 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.90 3khh h PHE 266 Cb 0.14 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 37.94 3khh h PHE 266 CO -0.01 0.77 0.33 -0.09 -0.60 0.00 0.00 178.31 178.71 3khh h ARG 267 N 0.91 0.58 -0.85 1.51 1.12 -1.00 -0.01 114.38 116.64 3khh h ARG 267 Ca 0.21 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 3khh h ARG 267 Cb 0.25 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 3khh h ARG 267 CO -0.01 0.38 0.43 0.00 -3.11 0.00 0.00 179.97 177.66 3khh h ALA 268 N 1.38 1.10 0.22 2.80 0.00 -0.53 -1.96 119.26 122.28 3khh h ALA 268 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3khh h ALA 268 Cb 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3khh h ALA 268 CO -0.23 0.65 -0.11 0.82 0.00 0.00 0.00 179.25 180.38 3khh h ILE 269 N 1.21 0.85 -0.34 0.00 2.04 -0.40 -1.10 117.51 119.76 3khh h ILE 269 Ca 0.30 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.65 3khh h ILE 269 Cb 0.09 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 3khh h ILE 269 CO -0.04 0.13 -0.21 -0.33 0.00 0.00 0.00 178.15 177.69 3khh h GLU 270 N -0.60 -0.16 -0.58 2.37 4.39 -0.98 0.56 114.58 119.57 3khh h GLU 270 Ca -0.03 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3khh h GLU 270 Cb 0.44 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3khh h GLU 270 CO 0.05 -0.11 0.05 0.93 -1.16 0.00 0.00 179.01 178.77 3khh h GLU 271 N -0.17 0.96 0.00 2.33 5.08 -1.31 0.61 114.58 122.08 3khh h GLU 271 Ca 0.17 -0.26 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 3khh h GLU 271 Cb 0.44 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3khh h GLU 271 CO -0.45 0.92 -1.16 0.66 -1.00 0.00 0.00 179.01 177.99 3khh h SER 272 N 0.90 0.00 0.13 1.42 4.64 -0.76 -2.93 113.55 116.94 3khh h SER 272 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3khh h SER 272 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3khh h SER 272 CO 0.02 1.00 -0.55 0.22 -0.87 0.00 0.00 176.83 176.65 3khh h TYR 273 N 0.00 0.56 -0.46 4.77 5.03 0.25 -2.43 116.97 124.70 3khh h TYR 273 Ca -0.07 -0.20 0.02 0.00 2.58 0.00 0.00 58.73 61.06 3khh h TYR 273 Cb 1.82 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 39.97 3khh h TYR 273 CO 0.00 0.90 0.28 -0.92 -1.32 0.00 0.00 178.16 177.10 3khh h TYR 274 N 0.35 0.53 -0.05 -3.82 3.20 -0.92 -2.98 116.97 113.28 3khh h TYR 274 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3khh h TYR 274 Cb 1.07 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3khh h TYR 274 CO 0.04 0.31 -0.01 0.87 -1.64 0.00 0.00 178.16 177.72 3khh h LYS 275 N 0.57 0.06 -0.84 1.82 1.57 -1.30 -2.97 116.57 115.48 3khh h LYS 275 Ca 0.18 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.10 3khh h LYS 275 Cb -0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 3khh h LYS 275 CO -0.07 0.09 0.42 -0.07 -0.57 0.00 0.00 179.45 179.24 3khh h LEU 276 N 0.07 0.49 -2.69 2.94 3.38 -1.27 -3.46 115.31 114.75 3khh h LEU 276 Ca 0.02 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3khh h LEU 276 Cb 0.07 0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.86 3khh h LEU 276 CO 0.00 0.20 -0.33 -0.67 0.09 0.00 0.00 178.44 177.74 3khh n ASP 277 N -4.89 -7.02 0.00 -0.43 2.03 -1.12 -2.73 116.55 102.38 3khh n ASP 277 Ca 0.17 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3khh n ASP 277 Cb 0.44 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 3khh n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3khh n LYS 278 N -2.17 0.00 -2.37 -0.67 5.02 -1.26 -5.02 118.16 111.69 3khh n LYS 278 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 3khh n LYS 278 Cb 0.55 -0.45 -0.04 0.00 -0.02 0.00 0.00 35.03 35.07 3khh n LYS 278 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3khh s ARG 279 N -0.27 4.55 -0.36 1.97 0.52 -1.11 -5.03 118.95 119.23 3khh s ARG 279 Ca 0.00 1.92 -0.04 0.00 -0.52 0.00 0.00 55.73 57.09 3khh s ARG 279 Cb 0.00 -3.16 0.07 0.00 0.52 0.00 0.00 34.95 32.38 3khh s ARG 279 CO 0.00 0.08 0.13 0.42 0.02 0.00 0.00 175.30 175.95 3khh s ILE 280 N -1.04 3.41 0.49 1.52 -1.09 -1.26 -4.87 121.20 118.37 3khh s ILE 280 Ca 0.46 -1.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.13 3khh s ILE 280 Cb -0.34 -3.11 -0.08 0.00 -1.58 0.00 0.00 42.46 37.35 3khh s ILE 280 CO 0.44 -0.38 0.99 -2.16 -1.23 0.00 0.00 174.94 172.59 3khh s PRO 281 N 1.27 3.95 -0.01 2.79 0.04 -1.26 -1.30 135.00 140.48 3khh s PRO 281 Ca 0.01 1.07 0.12 0.00 0.04 0.00 0.00 61.00 62.23 3khh s PRO 281 Cb -0.21 -2.13 -0.15 0.00 0.04 0.00 0.00 34.50 32.04 3khh s PRO 281 CO -0.01 -0.27 0.36 1.63 0.04 0.00 0.00 177.00 178.76 3khh n LYS 282 N -1.29 1.72 -4.61 4.56 5.02 -0.19 -0.51 118.16 122.86 3khh n LYS 282 Ca 0.07 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 3khh n LYS 282 Cb 0.54 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.26 3khh n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khh s ALA 283 N -2.46 2.73 -0.05 7.82 0.00 -0.29 -1.27 121.76 128.23 3khh s ALA 283 Ca -0.00 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3khh s ALA 283 Cb 0.08 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3khh s ALA 283 CO 0.48 0.59 -0.09 -1.50 0.00 0.00 0.00 175.76 175.24 3khh s ILE 284 N -0.94 0.84 -0.05 0.00 2.07 -0.36 -1.74 121.20 121.02 3khh s ILE 284 Ca 0.15 -0.31 0.06 0.00 -1.41 0.00 0.00 60.65 59.14 3khh s ILE 284 Cb -0.11 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 3khh s ILE 284 CO 0.06 0.29 -0.23 -1.00 -1.91 0.00 0.00 174.94 172.15 3khh s HIS 285 N 0.73 2.21 -0.19 3.50 3.76 0.34 -0.44 115.29 125.20 3khh s HIS 285 Ca -0.13 -0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 54.09 3khh s HIS 285 Cb -0.15 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.06 3khh s HIS 285 CO 0.02 -0.19 0.02 0.08 -0.85 0.00 0.00 174.74 173.83 3khh s VAL 286 N -0.14 4.26 0.04 -0.90 1.01 0.24 -0.16 120.40 124.75 3khh s VAL 286 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3khh s VAL 286 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3khh s VAL 286 CO 0.03 0.43 0.14 0.68 0.00 0.00 0.00 175.10 176.38 3khh s VAL 287 N 0.79 5.00 -0.08 2.92 -7.23 -0.29 -1.31 120.40 120.21 3khh s VAL 287 Ca 0.01 -0.46 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 3khh s VAL 287 Cb -0.14 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.42 3khh s VAL 287 CO 0.02 0.21 -0.20 0.00 -0.31 0.00 0.00 175.10 174.83 3khh s ALA 288 N -1.37 1.83 -0.27 1.32 0.00 0.11 -0.72 121.76 122.65 3khh s ALA 288 Ca 0.29 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 3khh s ALA 288 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3khh s ALA 288 CO 0.21 0.26 0.30 0.08 0.00 0.00 0.00 175.76 176.61 3khh s VAL 289 N 0.31 5.23 0.80 0.00 1.01 0.11 -0.38 120.40 127.48 3khh s VAL 289 Ca -0.13 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 3khh s VAL 289 Cb -0.16 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.71 3khh s VAL 289 CO 0.06 0.20 1.14 0.42 0.00 0.00 0.00 175.10 176.91 3khh s THR 290 N 1.90 2.12 0.52 3.92 -4.23 0.34 0.02 115.64 120.23 3khh s THR 290 Ca 0.12 -0.19 0.24 0.00 -1.18 0.00 0.00 61.69 60.68 3khh s THR 290 Cb -0.16 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.05 3khh s THR 290 CO 0.10 0.00 2.16 1.05 -0.54 0.00 0.00 174.62 177.39 3khh h GLU 291 N -0.99 0.00 -0.07 3.99 9.09 -1.32 0.37 114.58 125.66 3khh h GLU 291 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3khh h GLU 291 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3khh h GLU 291 CO 0.51 0.05 0.00 -0.40 0.05 0.00 0.00 179.01 179.23 3khh n ASP 292 N -4.00 1.25 -0.17 3.06 3.85 -1.26 -4.93 116.55 114.34 3khh n ASP 292 Ca -0.03 -1.51 -0.02 0.00 -0.71 0.00 0.00 54.79 52.52 3khh n ASP 292 Cb 0.14 -0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 39.86 3khh n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khh n LEU 293 N 0.00 -0.11 -4.81 -2.12 4.77 0.13 -5.05 117.00 109.81 3khh n LEU 293 Ca 0.18 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 3khh n LEU 293 Cb 0.29 -0.85 -0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3khh n LEU 293 CO 0.15 -0.17 0.71 -0.62 -1.33 0.00 0.00 177.39 176.13 3khh s ASP 294 N -2.66 5.97 -0.16 -1.43 -1.08 -1.26 -4.75 116.67 111.31 3khh s ASP 294 Ca 0.00 1.78 -0.02 0.00 -0.52 0.00 0.00 52.55 53.79 3khh s ASP 294 Cb 0.00 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 3khh s ASP 294 CO 0.00 -1.03 -0.09 -0.63 0.52 0.00 0.00 175.17 173.94 3khh s ILE 295 N -2.45 3.29 0.10 4.11 1.01 -1.26 -0.50 121.20 125.49 3khh s ILE 295 Ca 0.63 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.78 3khh s ILE 295 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3khh s ILE 295 CO 0.35 0.49 -0.17 -0.69 0.00 0.00 0.00 174.94 174.92 3khh s VAL 296 N 0.64 1.42 -0.01 2.92 1.01 0.49 -4.99 120.40 121.88 3khh s VAL 296 Ca -0.05 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.26 3khh s VAL 296 Cb -0.15 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.87 3khh s VAL 296 CO 0.03 -0.21 0.34 -0.94 0.00 0.00 0.00 175.10 174.31 3khh s SER 297 N -2.00 -0.22 -0.02 3.32 1.04 -1.26 0.05 113.70 114.62 3khh s SER 297 Ca 0.04 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3khh s SER 297 Cb -0.09 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.38 3khh s SER 297 CO 0.03 -0.47 0.01 -0.13 0.98 0.00 0.00 173.24 173.66 3khh s ARG 298 N -1.40 0.11 0.32 4.02 1.81 -0.43 -4.98 118.95 118.40 3khh s ARG 298 Ca -0.13 0.07 0.04 0.00 -1.72 0.00 0.00 55.73 53.99 3khh s ARG 298 Cb -0.05 -0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 3khh s ARG 298 CO 0.04 -0.09 0.19 0.20 -0.68 0.00 0.00 175.30 174.97 3khh s GLY 299 N 0.66 2.16 -0.13 -3.53 0.00 -1.26 -0.59 107.32 104.64 3khh s GLY 299 Ca -0.06 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 42.72 3khh s GLY 299 CO -0.02 -1.56 0.42 -1.60 0.00 0.00 0.00 173.10 170.35 3khh s ARG 300 N -3.71 0.57 -0.10 2.90 3.52 0.42 -4.97 118.95 117.58 3khh s ARG 300 Ca 0.36 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 56.36 3khh s ARG 300 Cb 0.04 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 3khh s ARG 300 CO 0.20 -0.10 0.01 0.99 -0.81 0.00 0.00 175.30 175.58 3khh s THR 301 N -0.17 4.34 0.18 4.11 2.01 -1.26 -1.22 115.64 123.63 3khh s THR 301 Ca -0.03 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.80 3khh s THR 301 Cb -0.03 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3khh s THR 301 CO 0.02 0.59 0.03 -0.36 -0.69 0.00 0.00 174.62 174.21 3khh s PHE 302 N -0.71 2.90 -2.00 4.92 0.40 -0.40 -5.00 117.98 118.09 3khh s PHE 302 Ca 0.11 -0.12 0.11 0.00 -0.60 0.00 0.00 56.93 56.44 3khh s PHE 302 Cb -0.12 -1.40 0.68 0.00 0.51 0.00 0.00 43.02 42.69 3khh s PHE 302 CO 0.02 0.52 1.23 -0.35 0.70 0.00 0.00 175.22 177.35 3khh n PRO 303 N -0.21 0.73 -4.16 0.24 -0.04 -1.26 -4.81 135.00 125.48 3khh n PRO 303 Ca -0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.22 3khh n PRO 303 Cb 0.55 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 3khh n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3khh s HIS 304 N -2.00 1.24 0.65 0.54 -3.43 -1.26 -5.16 115.29 105.86 3khh s HIS 304 Ca 0.17 -1.37 -0.13 0.00 -0.80 0.00 0.00 55.06 52.92 3khh s HIS 304 Cb 0.08 -0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.87 3khh s HIS 304 CO 0.13 -0.95 1.06 0.20 -2.00 0.00 0.00 174.74 173.18 3khh s GLY 305 N -3.25 1.91 -0.32 -1.38 0.00 -1.26 -4.53 107.32 98.50 3khh s GLY 305 Ca 0.35 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 3khh s GLY 305 CO 0.20 0.58 0.24 -0.42 0.00 0.00 0.00 173.10 173.70 3khh s ILE 306 N -2.72 5.28 0.63 0.90 1.01 0.33 -4.96 121.20 121.67 3khh s ILE 306 Ca 0.61 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.09 3khh s ILE 306 Cb -0.15 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 3khh s ILE 306 CO 0.46 0.08 1.05 -0.94 0.00 0.00 0.00 174.94 175.59 3khh s SER 307 N 1.73 5.70 0.31 3.58 1.04 -1.26 -4.68 113.70 120.13 3khh s SER 307 Ca 0.07 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.25 3khh s SER 307 Cb -0.17 -2.52 0.65 0.00 0.10 0.00 0.00 66.02 64.09 3khh s SER 307 CO 0.11 -1.22 1.86 0.50 0.98 0.00 0.00 173.24 175.47 3khh h LYS 308 N 0.02 0.86 -0.79 4.02 3.64 -1.99 0.80 116.57 123.13 3khh h LYS 308 Ca -0.46 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 3khh h LYS 308 Cb 1.21 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3khh h LYS 308 CO 0.58 0.57 0.33 0.93 -2.27 0.00 0.00 179.45 179.58 3khh h GLU 309 N 0.89 1.18 -0.42 1.90 3.07 -2.00 -1.08 114.58 118.12 3khh h GLU 309 Ca 0.46 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 59.05 3khh h GLU 309 Cb 0.53 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3khh h GLU 309 CO -0.23 0.95 -0.01 1.15 -1.40 0.00 0.00 179.01 179.47 3khh h THR 310 N 1.15 1.23 -0.16 1.13 2.02 -1.41 -1.45 112.91 115.42 3khh h THR 310 Ca 0.27 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3khh h THR 310 Cb 0.20 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3khh h THR 310 CO -0.02 0.33 0.10 0.00 0.37 0.00 0.00 175.52 176.29 3khh h ALA 311 N 1.35 0.21 -0.24 6.16 0.00 -0.40 0.29 119.26 126.63 3khh h ALA 311 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3khh h ALA 311 Cb 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3khh h ALA 311 CO 0.02 -0.28 0.04 1.88 0.00 0.00 0.00 179.25 180.91 3khh h TYR 312 N 0.19 0.07 -0.09 0.00 0.05 -0.98 -1.12 116.97 115.08 3khh h TYR 312 Ca 0.06 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 3khh h TYR 312 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3khh h TYR 312 CO -0.05 0.02 -0.36 1.03 -1.05 0.00 0.00 178.16 177.74 3khh h SER 313 N 0.13 0.47 -0.38 3.88 0.87 -1.00 -2.90 113.55 114.62 3khh h SER 313 Ca 0.11 -0.63 -0.08 0.00 -1.23 0.00 0.00 61.79 59.96 3khh h SER 313 Cb 0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3khh h SER 313 CO -0.15 1.02 -0.09 -0.08 -0.53 0.00 0.00 176.83 177.01 3khh h GLU 314 N -0.05 0.73 -0.69 2.24 4.57 -0.46 -3.06 114.58 117.86 3khh h GLU 314 Ca -0.02 -0.28 0.13 0.00 -1.18 0.00 0.00 59.36 58.02 3khh h GLU 314 Cb 1.00 -0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.42 3khh h GLU 314 CO 0.08 0.87 -0.23 0.77 -1.18 0.00 0.00 179.01 179.32 3khh h SER 315 N 0.53 -0.82 -0.78 1.04 0.02 -1.23 0.23 113.55 112.53 3khh h SER 315 Ca 0.10 0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 3khh h SER 315 Cb 0.60 0.49 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 3khh h SER 315 CO 0.04 -0.26 0.49 0.58 -1.14 0.00 0.00 176.83 176.54 3khh h VAL 316 N -0.05 1.10 -0.71 2.27 2.07 -1.45 0.15 116.25 119.63 3khh h VAL 316 Ca 0.31 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3khh h VAL 316 Cb 0.53 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3khh h VAL 316 CO -0.73 0.17 0.29 0.11 0.02 0.00 0.00 177.57 177.43 3khh h LYS 317 N 0.95 1.07 -0.46 1.57 1.57 -1.03 0.12 116.57 120.35 3khh h LYS 317 Ca 0.32 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3khh h LYS 317 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3khh h LYS 317 CO -0.12 0.88 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.42 3khh h LEU 318 N 1.02 0.87 -0.66 2.94 3.38 0.39 -0.55 115.31 122.71 3khh h LEU 318 Ca 0.24 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3khh h LEU 318 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3khh h LEU 318 CO -0.02 1.02 -0.66 0.25 0.09 0.00 0.00 178.44 179.12 3khh h LEU 319 N 0.78 0.08 -0.50 1.67 5.85 -0.47 -1.45 115.31 121.27 3khh h LEU 319 Ca 0.12 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3khh h LEU 319 Cb 0.67 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3khh h LEU 319 CO 0.05 0.72 0.24 1.56 -0.34 0.00 0.00 178.44 180.67 3khh h GLN 320 N 0.05 0.71 -0.87 1.25 4.20 -0.46 -1.07 115.11 118.92 3khh h GLN 320 Ca -0.01 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.63 3khh h GLN 320 Cb 1.17 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 3khh h GLN 320 CO 0.09 0.59 0.56 -0.22 -0.67 0.00 0.00 178.83 179.18 3khh h LYS 321 N 0.66 1.06 -0.08 1.46 3.64 -0.77 -0.28 116.57 122.25 3khh h LYS 321 Ca 0.17 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3khh h LYS 321 Cb 0.11 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3khh h LYS 321 CO -0.02 0.70 0.03 0.82 -2.27 0.00 0.00 179.45 178.71 3khh h ILE 322 N 1.09 1.15 -0.35 2.00 2.04 -1.06 -2.39 117.51 119.99 3khh h ILE 322 Ca 0.35 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3khh h ILE 322 Cb 0.02 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3khh h ILE 322 CO -0.12 0.12 0.23 -0.07 0.00 0.00 0.00 178.15 178.32 3khh h LEU 323 N -0.04 0.35 -0.07 1.44 4.07 -0.69 0.92 115.31 121.29 3khh h LEU 323 Ca 0.03 -0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.73 3khh h LEU 323 Cb 0.17 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.84 3khh h LEU 323 CO -0.00 0.25 -1.02 -0.33 -1.08 0.00 0.00 178.44 176.25 3khh h GLU 324 N 0.41 0.53 -0.00 1.13 5.08 -1.02 -3.38 114.58 117.34 3khh h GLU 324 Ca 0.14 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3khh h GLU 324 Cb 0.05 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3khh h GLU 324 CO -0.03 1.22 -0.85 0.39 -1.00 0.00 0.00 179.01 178.74 3khh n GLU 325 N -3.78 0.05 -4.48 2.33 1.02 -0.89 -4.84 120.64 110.05 3khh n GLU 325 Ca -0.09 -0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 3khh n GLU 325 Cb 0.87 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.64 3khh n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khh s ASP 326 N -2.98 1.44 0.00 1.62 -1.08 0.27 -5.04 116.67 110.90 3khh s ASP 326 Ca 0.09 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.17 3khh s ASP 326 Cb 0.16 -0.47 0.95 0.00 -1.46 0.00 0.00 42.92 42.11 3khh s ASP 326 CO 0.81 0.06 1.69 -1.84 0.52 0.00 0.00 175.17 176.41 3khh n GLU 327 N 3.43 0.96 -2.95 4.34 0.28 -1.26 -4.61 120.64 120.84 3khh n GLU 327 Ca -0.20 -0.51 -0.31 0.00 -0.16 0.00 0.00 57.16 55.98 3khh n GLU 327 Cb 0.53 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.87 3khh n GLU 327 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3khh s ARG 328 N -2.39 3.87 0.55 3.44 0.52 -1.26 -5.05 118.95 118.63 3khh s ARG 328 Ca 0.29 0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 55.85 3khh s ARG 328 Cb 0.20 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 3khh s ARG 328 CO 0.47 0.03 1.18 0.15 0.02 0.00 0.00 175.30 177.15 3khh s LYS 329 N -3.53 3.24 -0.13 3.54 1.02 -1.26 -4.91 119.74 117.70 3khh s LYS 329 Ca 0.52 1.76 -0.04 0.00 0.02 0.00 0.00 55.97 58.24 3khh s LYS 329 Cb -0.10 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3khh s LYS 329 CO 0.26 -0.98 0.00 0.42 -0.92 0.00 0.00 175.35 174.14 3khh s ILE 330 N -1.64 4.30 -0.22 2.17 1.01 0.05 -0.88 121.20 125.99 3khh s ILE 330 Ca 0.73 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.16 3khh s ILE 330 Cb -0.28 -2.87 -0.14 0.00 0.01 0.00 0.00 42.46 39.18 3khh s ILE 330 CO 0.32 0.53 -0.20 -1.14 0.00 0.00 0.00 174.94 174.45 3khh n ARG 331 N 2.97 0.54 -4.70 2.79 0.63 0.10 -1.55 116.66 117.44 3khh n ARG 331 Ca -0.18 0.13 -0.23 0.00 -0.92 0.00 0.00 57.85 56.66 3khh n ARG 331 Cb 0.53 -1.43 -0.15 0.00 0.45 0.00 0.00 32.46 31.86 3khh n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khh s ARG 332 N -2.44 1.25 0.09 -0.14 0.52 -0.36 -1.38 118.95 116.49 3khh s ARG 332 Ca -0.30 -0.53 0.09 0.00 -0.52 0.00 0.00 55.73 54.48 3khh s ARG 332 Cb 0.08 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.32 3khh s ARG 332 CO 0.50 0.31 -0.24 -1.50 0.02 0.00 0.00 175.30 174.38 3khh s ILE 333 N -0.29 1.99 0.31 1.52 1.10 -0.77 0.05 121.20 125.12 3khh s ILE 333 Ca 0.05 -1.53 -0.15 0.00 -0.51 0.00 0.00 60.65 58.51 3khh s ILE 333 Cb -0.06 -1.76 0.02 0.00 0.15 0.00 0.00 42.46 40.81 3khh s ILE 333 CO -0.00 0.13 0.65 -0.83 -2.11 0.00 0.00 174.94 172.78 3khh s GLY 334 N -1.69 0.41 -0.05 1.50 0.00 0.10 -1.02 107.32 106.57 3khh s GLY 334 Ca 0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 3khh s GLY 334 CO 0.04 -0.41 0.25 0.54 0.00 0.00 0.00 173.10 173.52 3khh s VAL 335 N -3.34 0.04 0.01 1.40 0.11 -0.47 -1.13 120.40 117.02 3khh s VAL 335 Ca 0.18 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3khh s VAL 335 Cb -0.04 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3khh s VAL 335 CO 0.11 -0.17 0.00 0.00 -3.33 0.00 0.00 175.10 171.71 3khh s ARG 336 N -0.68 0.26 -0.06 1.54 1.70 0.78 -1.08 118.95 121.40 3khh s ARG 336 Ca -0.08 -0.42 0.04 0.00 -0.47 0.00 0.00 55.73 54.80 3khh s ARG 336 Cb -0.04 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 3khh s ARG 336 CO 0.02 -0.05 -0.20 -0.06 -1.08 0.00 0.00 175.30 173.94 3khh s PHE 337 N -1.08 2.57 0.14 5.89 0.08 0.12 -0.50 117.98 125.20 3khh s PHE 337 Ca -0.12 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 3khh s PHE 337 Cb -0.07 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3khh s PHE 337 CO -0.00 -0.07 0.19 -1.13 -0.10 0.00 0.00 175.22 174.11 3khh n SER 338 N 2.79 -0.54 -3.44 1.36 3.41 -0.71 -1.49 113.62 115.00 3khh n SER 338 Ca -0.17 -1.72 -0.17 0.00 -0.26 0.00 0.00 58.87 56.54 3khh n SER 338 Cb 0.52 1.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.50 3khh n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khh n LYS 339 N -0.22 -1.45 -2.46 4.33 5.02 -1.26 -1.14 118.16 120.99 3khh n LYS 339 Ca 0.00 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 3khh n LYS 339 Cb 0.23 -4.53 -0.03 0.00 -0.02 0.00 0.00 35.03 30.67 3khh n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khh s PHE 340 N -3.20 3.27 -2.00 2.13 0.08 -1.26 -1.02 117.98 115.98 3khh s PHE 340 Ca 0.21 1.63 0.15 0.00 0.12 0.00 0.00 56.93 59.05 3khh s PHE 340 Cb -0.06 -3.23 0.90 0.00 -0.57 0.00 0.00 43.02 40.05 3khh s PHE 340 CO 0.82 -0.81 1.31 -0.89 -0.10 0.00 0.00 175.22 175.55