#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aha n LYS 3 N 0.00 0.00 -0.12 4.33 -0.00 -1.26 0.41 118.16 121.51 2aha n LYS 3 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2aha n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2aha n LYS 3 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2aha h GLY 4 N 0.00 -0.07 1.36 2.58 0.00 -1.76 -1.12 103.07 104.06 2aha h GLY 4 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2aha h GLY 4 CO 0.00 -0.21 0.42 0.83 0.00 0.00 0.00 176.54 177.58 2aha h GLU 5 N -0.19 0.86 -0.08 4.80 5.08 0.77 -1.54 114.58 124.28 2aha h GLU 5 Ca 0.19 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2aha h GLU 5 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2aha h GLU 5 CO -0.53 0.58 -0.15 0.93 -1.00 0.00 0.00 179.01 178.84 2aha h GLU 6 N 0.88 0.13 -0.03 2.33 5.08 -1.17 -2.10 114.58 119.70 2aha h GLU 6 Ca 0.24 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2aha h GLU 6 Cb -0.08 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2aha h GLU 6 CO -0.05 0.29 0.07 -0.07 -1.00 0.00 0.00 179.01 178.26 2aha h LEU 7 N 0.13 0.00 -3.24 1.33 4.07 -0.72 -2.62 115.31 114.26 2aha h LEU 7 Ca 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 2aha h LEU 7 Cb 0.36 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 2aha h LEU 7 CO 0.02 0.00 -0.03 0.49 -1.08 0.00 0.00 178.44 177.84 2aha n PHE 8 N -3.43 0.80 -0.03 1.13 3.72 -0.79 -4.70 117.46 114.16 2aha n PHE 8 Ca -0.02 -1.11 -0.04 0.00 -0.05 0.00 0.00 57.45 56.23 2aha n PHE 8 Cb 0.15 -0.33 0.19 0.00 -0.94 0.00 0.00 39.48 38.54 2aha n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2aha h THR 9 N 1.26 1.25 -1.67 4.37 1.35 -1.52 -3.37 112.91 114.57 2aha h THR 9 Ca 0.06 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2aha h THR 9 Cb 1.42 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2aha h THR 9 CO 0.23 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2aha n GLY 10 N -0.49 3.86 3.74 5.82 0.00 -1.26 -4.63 105.19 112.22 2aha n GLY 10 Ca 0.01 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 2aha n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aha s VAL 11 N 2.19 5.06 -0.06 1.61 1.01 -1.26 -4.35 120.40 124.60 2aha s VAL 11 Ca 0.00 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.21 2aha s VAL 11 Cb 0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2aha s VAL 11 CO 0.00 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 2aha s VAL 12 N 0.38 1.85 0.40 2.92 1.01 -0.15 -4.93 120.40 121.88 2aha s VAL 12 Ca 0.31 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 2aha s VAL 12 Cb -0.17 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 2aha s VAL 12 CO 0.15 0.52 1.15 -2.84 0.00 0.00 0.00 175.10 174.08 2aha s PRO 13 N -0.00 4.08 0.01 2.72 0.02 -1.26 -0.32 135.00 140.24 2aha s PRO 13 Ca -0.06 1.79 0.07 0.00 0.02 0.00 0.00 61.00 62.82 2aha s PRO 13 Cb -0.14 -2.67 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 2aha s PRO 13 CO 0.04 -0.28 -0.20 0.42 -0.33 0.00 0.00 177.00 176.64 2aha s ILE 14 N -1.44 1.62 -0.04 2.83 1.01 0.37 -1.09 121.20 124.46 2aha s ILE 14 Ca 0.57 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2aha s ILE 14 Cb -0.30 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 2aha s ILE 14 CO 0.37 0.35 -0.16 -0.22 0.00 0.00 0.00 174.94 175.28 2aha s LEU 15 N -0.77 1.90 -0.07 2.97 2.96 -0.51 -1.48 118.68 123.69 2aha s LEU 15 Ca 0.08 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2aha s LEU 15 Cb -0.08 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.71 2aha s LEU 15 CO 0.00 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 2aha s VAL 16 N 0.04 1.42 -0.15 1.68 1.01 -0.34 -1.34 120.40 122.71 2aha s VAL 16 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2aha s VAL 16 Cb -0.11 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2aha s VAL 16 CO 0.02 0.42 -0.05 -1.61 0.00 0.00 0.00 175.10 173.88 2aha s GLU 17 N 0.47 1.37 -0.06 2.72 0.41 -0.41 -0.26 118.70 122.93 2aha s GLU 17 Ca -0.14 -0.44 0.05 0.00 -0.41 0.00 0.00 54.97 54.04 2aha s GLU 17 Cb -0.16 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 2aha s GLU 17 CO 0.05 -0.41 -0.23 -1.17 -0.49 0.00 0.00 175.26 173.01 2aha s LEU 18 N 1.67 2.04 -0.15 1.80 0.20 0.79 -0.68 118.68 124.35 2aha s LEU 18 Ca 0.02 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.33 2aha s LEU 18 Cb -0.15 -1.30 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 2aha s LEU 18 CO -0.08 0.21 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.46 2aha s ASP 19 N -0.02 4.08 0.13 3.68 2.15 0.66 -1.11 116.67 126.23 2aha s ASP 19 Ca -0.07 -0.34 0.03 0.00 0.43 0.00 0.00 52.55 52.60 2aha s ASP 19 Cb -0.14 -1.64 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 2aha s ASP 19 CO 0.04 0.12 -0.07 -0.83 -0.17 0.00 0.00 175.17 174.27 2aha s GLY 20 N 0.62 0.94 -0.19 2.66 0.00 0.05 -0.66 107.32 110.73 2aha s GLY 20 Ca -0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 2aha s GLY 20 CO 0.03 -1.51 0.34 -0.35 0.00 0.00 0.00 173.10 171.60 2aha s ASP 21 N -3.11 0.25 -0.20 1.64 -1.08 -0.81 -0.29 116.67 113.08 2aha s ASP 21 Ca 0.15 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 2aha s ASP 21 Cb 0.04 0.98 0.05 0.00 -1.46 0.00 0.00 42.92 42.53 2aha s ASP 21 CO -0.02 -0.26 -0.06 -0.69 0.52 0.00 0.00 175.17 174.66 2aha s VAL 22 N 2.50 1.35 -1.53 1.11 1.01 0.27 -0.73 120.40 124.38 2aha s VAL 22 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2aha s VAL 22 Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2aha s VAL 22 CO -0.12 0.06 0.12 0.59 0.00 0.00 0.00 175.10 175.75 2aha n ASN 23 N 4.77 -5.41 0.00 3.32 4.13 -0.37 -1.03 115.26 120.68 2aha n ASN 23 Ca -0.13 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.06 2aha n ASN 23 Cb 0.46 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.29 2aha n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aha n GLY 24 N -1.11 1.58 3.48 7.41 0.00 -1.26 -4.98 105.19 110.31 2aha n GLY 24 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2aha n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aha s HIS 25 N -2.97 2.86 0.15 1.61 3.76 -0.20 -5.03 115.29 115.47 2aha s HIS 25 Ca 0.00 -0.29 -0.16 0.00 -0.15 0.00 0.00 55.06 54.46 2aha s HIS 25 Cb 0.00 -3.95 -0.07 0.00 1.11 0.00 0.00 32.58 29.67 2aha s HIS 25 CO 0.00 -1.30 0.59 0.15 -0.85 0.00 0.00 174.74 173.33 2aha s LYS 26 N 3.53 4.08 0.18 1.40 1.02 -1.26 -0.56 119.74 128.14 2aha s LYS 26 Ca 0.24 0.62 -0.24 0.00 0.02 0.00 0.00 55.97 56.62 2aha s LYS 26 Cb -0.16 -2.98 0.05 0.00 -0.52 0.00 0.00 37.83 34.23 2aha s LYS 26 CO 0.15 0.49 0.81 -0.59 -0.92 0.00 0.00 175.35 175.29 2aha s PHE 27 N -1.41 -0.23 0.03 3.18 -0.71 0.61 -4.95 117.98 114.50 2aha s PHE 27 Ca 0.37 -0.09 0.01 0.00 -1.04 0.00 0.00 56.93 56.18 2aha s PHE 27 Cb -0.16 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 2aha s PHE 27 CO 0.20 -0.95 -0.06 0.45 -1.34 0.00 0.00 175.22 173.52 2aha s SER 28 N -2.85 0.60 -0.00 1.98 0.15 -1.26 -0.77 113.70 111.54 2aha s SER 28 Ca 0.09 -0.54 -0.00 0.00 0.70 0.00 0.00 55.95 56.20 2aha s SER 28 Cb -0.03 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2aha s SER 28 CO 0.01 -0.25 0.01 -0.69 1.20 0.00 0.00 173.24 173.51 2aha s VAL 29 N -1.49 0.00 0.04 4.45 1.01 -0.27 -1.90 120.40 122.26 2aha s VAL 29 Ca -0.12 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.91 2aha s VAL 29 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2aha s VAL 29 CO -0.00 -0.02 -0.23 -0.44 0.00 0.00 0.00 175.10 174.41 2aha s SER 30 N -0.05 2.75 0.03 3.32 0.01 -1.00 -0.15 113.70 118.62 2aha s SER 30 Ca -0.01 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2aha s SER 30 Cb -0.00 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2aha s SER 30 CO -0.00 0.20 -0.05 -0.83 0.41 0.00 0.00 173.24 172.97 2aha s GLY 31 N -1.19 0.38 0.01 3.44 0.00 0.64 -0.84 107.32 109.75 2aha s GLY 31 Ca 0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2aha s GLY 31 CO 0.02 -0.79 0.03 -0.54 0.00 0.00 0.00 173.10 171.82 2aha s GLU 32 N -1.74 0.36 0.00 2.90 2.02 -0.74 -1.20 118.70 120.29 2aha s GLU 32 Ca -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2aha s GLU 32 Cb -0.08 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.28 2aha s GLU 32 CO -0.01 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2aha n GLY 33 N 1.64 -0.70 3.45 -1.39 0.00 -0.55 -0.91 105.19 106.73 2aha n GLY 33 Ca -0.23 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 2aha n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aha s GLU 34 N -0.40 1.13 0.09 1.61 1.03 -0.89 -0.48 118.70 120.79 2aha s GLU 34 Ca 0.00 -0.38 -0.06 0.00 0.03 0.00 0.00 54.97 54.56 2aha s GLU 34 Cb 0.00 0.52 -0.02 0.00 -0.80 0.00 0.00 34.13 33.84 2aha s GLU 34 CO 0.00 -0.49 0.13 0.20 -1.33 0.00 0.00 175.26 173.77 2aha s GLY 35 N -2.57 0.28 -0.25 -3.83 0.00 0.56 -1.83 107.32 99.68 2aha s GLY 35 Ca 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 2aha s GLY 35 CO -0.11 -0.99 0.11 -0.35 0.00 0.00 0.00 173.10 171.77 2aha s ASP 36 N -2.90 3.20 0.33 1.64 -1.08 0.40 -0.98 116.67 117.30 2aha s ASP 36 Ca 0.08 -1.10 0.26 0.00 -0.52 0.00 0.00 52.55 51.27 2aha s ASP 36 Cb 0.06 -0.35 1.14 0.00 -1.46 0.00 0.00 42.92 42.31 2aha s ASP 36 CO -0.09 -0.41 1.78 0.00 0.52 0.00 0.00 175.17 176.97 2aha h ALA 37 N 8.39 1.00 0.00 3.66 0.00 -1.72 0.10 119.26 130.69 2aha h ALA 37 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2aha h ALA 37 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2aha h ALA 37 CO 0.40 0.00 -0.09 1.15 0.00 0.00 0.00 179.25 180.71 2aha h THR 38 N 0.00 0.84 0.00 0.00 2.02 -1.82 -3.10 112.91 110.86 2aha h THR 38 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2aha h THR 38 Cb 0.31 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2aha h THR 38 CO 0.00 0.09 -0.71 -1.22 0.37 0.00 0.00 175.52 174.05 2aha n TYR 39 N -4.11 0.00 -1.17 3.16 4.01 -0.81 -4.94 117.16 113.29 2aha n TYR 39 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2aha n TYR 39 Cb 0.17 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2aha n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aha n GLY 40 N 1.86 0.48 3.68 2.72 0.00 0.29 -4.70 105.19 109.51 2aha n GLY 40 Ca -0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2aha n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aha s ASP 41 N -2.89 5.00 0.07 1.61 1.01 -0.85 -0.64 116.67 119.97 2aha s ASP 41 Ca 0.00 -0.14 -0.14 0.00 0.71 0.00 0.00 52.55 52.98 2aha s ASP 41 Cb 0.00 -1.21 0.02 0.00 1.01 0.00 0.00 42.92 42.74 2aha s ASP 41 CO 0.00 0.21 0.31 -1.48 0.21 0.00 0.00 175.17 174.42 2aha s LEU 42 N -2.05 0.83 -0.02 1.23 0.05 -0.45 -0.45 118.68 117.82 2aha s LEU 42 Ca 0.23 -0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.16 2aha s LEU 42 Cb -0.12 1.43 0.01 0.00 -2.05 0.00 0.00 46.19 45.46 2aha s LEU 42 CO 0.15 -0.68 -0.05 -0.89 -0.55 0.00 0.00 176.35 174.34 2aha s THR 43 N -2.98 0.45 -0.01 5.48 2.01 -0.76 -1.26 115.64 118.58 2aha s THR 43 Ca -0.02 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2aha s THR 43 Cb 0.01 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.08 2aha s THR 43 CO -0.06 0.17 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.26 2aha s LEU 44 N 0.41 1.82 -0.17 4.42 1.43 -0.05 -2.10 118.68 124.44 2aha s LEU 44 Ca -0.05 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2aha s LEU 44 Cb -0.09 -0.11 -0.00 0.00 0.03 0.00 0.00 46.19 46.02 2aha s LEU 44 CO -0.00 -0.01 -0.13 -0.75 0.23 0.00 0.00 176.35 175.69 2aha s LYS 45 N 0.19 3.24 -0.08 1.70 2.20 -0.08 -0.39 119.74 126.52 2aha s LYS 45 Ca -0.02 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2aha s LYS 45 Cb -0.03 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2aha s LYS 45 CO -0.01 -0.04 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.86 2aha s PHE 46 N 0.98 3.10 -0.07 4.03 0.40 -0.09 -1.80 117.98 124.53 2aha s PHE 46 Ca -0.02 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2aha s PHE 46 Cb -0.15 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2aha s PHE 46 CO -0.02 0.43 -0.16 0.42 0.70 0.00 0.00 175.22 176.60 2aha s ILE 47 N -0.87 1.39 -0.52 0.64 1.01 -0.02 -0.99 121.20 121.83 2aha s ILE 47 Ca 0.13 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 2aha s ILE 47 Cb -0.11 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.14 2aha s ILE 47 CO 0.02 0.41 1.21 -0.55 0.00 0.00 0.00 174.94 176.04 2aha s SER 48 N 0.56 6.48 0.00 3.58 0.15 -0.44 -2.37 113.70 121.66 2aha s SER 48 Ca -0.16 0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.03 2aha s SER 48 Cb -0.16 -2.55 0.71 0.00 -1.71 0.00 0.00 66.02 62.31 2aha s SER 48 CO 0.05 -1.41 1.53 0.35 1.20 0.00 0.00 173.24 174.96 2aha n THR 49 N 6.80 0.23 0.02 6.45 -2.24 -0.80 -3.99 114.28 120.76 2aha n THR 49 Ca 0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2aha n THR 49 Cb 0.49 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2aha n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aha n THR 50 N 0.42 0.15 0.00 4.28 -2.24 -1.26 -4.96 114.28 110.68 2aha n THR 50 Ca 0.16 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2aha n THR 50 Cb 0.35 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2aha n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aha n GLY 51 N -0.04 0.90 3.71 3.38 0.00 -1.26 -4.99 105.19 106.89 2aha n GLY 51 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2aha n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aha s LYS 52 N -1.69 4.46 0.20 1.61 -0.14 -1.26 -4.73 119.74 118.20 2aha s LYS 52 Ca 0.00 1.70 -0.32 0.00 -1.36 0.00 0.00 55.97 55.99 2aha s LYS 52 Cb 0.00 -3.37 -0.13 0.00 -1.68 0.00 0.00 37.83 32.65 2aha s LYS 52 CO 0.00 -0.20 1.53 -0.11 -0.76 0.00 0.00 175.35 175.81 2aha n LEU 53 N 3.85 3.30 0.00 3.17 7.94 -1.26 -4.89 117.00 129.11 2aha n LEU 53 Ca 0.08 1.11 0.14 0.00 -1.11 0.00 0.00 56.01 56.23 2aha n LEU 53 Cb 0.47 -1.46 0.66 0.00 0.53 0.00 0.00 43.42 43.62 2aha n LEU 53 CO 0.55 -0.27 0.97 -0.81 -1.11 0.00 0.00 177.39 176.71 2aha n PRO 54 N 2.86 0.18 -4.39 1.96 -0.04 -1.26 -4.78 135.00 129.53 2aha n PRO 54 Ca 0.14 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 2aha n PRO 54 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2aha n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2aha s VAL 55 N -2.82 1.65 0.32 0.52 -7.23 -1.26 -4.50 120.40 107.07 2aha s VAL 55 Ca 0.20 -2.15 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 2aha s VAL 55 Cb 0.19 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 2aha s VAL 55 CO 0.48 -0.40 1.05 -2.84 -0.31 0.00 0.00 175.10 173.08 2aha s PRO 56 N -3.71 4.51 0.25 4.82 0.02 -1.26 -4.94 135.00 134.70 2aha s PRO 56 Ca 0.27 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.88 2aha s PRO 56 Cb 0.02 -2.96 0.49 0.00 0.02 0.00 0.00 34.50 32.07 2aha s PRO 56 CO 0.10 0.15 1.71 -1.49 -0.33 0.00 0.00 177.00 177.14 2aha h TRP 57 N 3.39 0.43 -0.17 6.54 4.06 -1.96 -1.58 115.95 126.66 2aha h TRP 57 Ca -0.47 0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.56 2aha h TRP 57 Cb 1.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 2aha h TRP 57 CO 0.59 -0.01 0.12 -1.35 -3.56 0.00 0.00 178.44 174.23 2aha h PRO 58 N 0.37 0.03 0.00 0.49 0.11 -1.90 0.10 132.00 131.19 2aha h PRO 58 Ca 0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 2aha h PRO 58 Cb 0.70 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2aha h PRO 58 CO -0.46 0.02 0.00 1.79 -0.21 0.00 0.00 178.00 179.14 2aha h THR 59 N 0.03 0.00 -0.02 -1.15 1.35 -1.67 -2.76 112.91 108.69 2aha h THR 59 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2aha h THR 59 Cb 0.28 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2aha h THR 59 CO -0.00 0.00 -0.26 0.18 -0.25 0.00 0.00 175.52 175.18 2aha n LEU 60 N -2.53 2.12 -0.03 3.87 4.77 0.02 -4.63 117.00 120.59 2aha n LEU 60 Ca 0.00 -0.85 -0.09 0.00 -0.03 0.00 0.00 56.01 55.04 2aha n LEU 60 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2aha n LEU 60 CO 0.18 0.38 0.66 0.58 -1.33 0.00 0.00 177.39 177.87 2aha h VAL 61 N 2.76 0.32 0.00 4.08 2.07 -1.50 -0.90 116.25 123.08 2aha h VAL 61 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2aha h VAL 61 Cb 0.72 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2aha h VAL 61 CO 0.00 0.00 -0.12 0.71 0.02 0.00 0.00 177.57 178.18 2aha h THR 62 N -0.32 0.97 -0.11 2.57 1.35 -1.82 -2.51 112.91 113.03 2aha h THR 62 Ca 0.12 -0.45 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 2aha h THR 62 Cb 0.51 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2aha h THR 62 CO -0.39 0.12 -0.17 0.74 -0.25 0.00 0.00 175.52 175.57 2aha h THR 63 N 0.00 1.38 0.00 6.82 2.02 -1.73 -3.45 112.91 117.95 2aha h THR 63 Ca -0.00 -1.40 -0.58 0.00 0.77 0.00 0.00 66.41 65.20 2aha h THR 63 Cb 0.24 2.03 0.04 0.00 -1.74 0.00 0.00 68.15 68.72 2aha h THR 63 CO 0.02 0.40 2.34 0.49 0.37 0.00 0.00 175.52 179.14 2aha n PHE 64 N -4.56 1.70 0.00 3.16 3.72 -0.39 -5.05 117.46 116.04 2aha n PHE 64 Ca -0.07 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 2aha n PHE 64 Cb 0.38 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 2aha n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2aha n VAL 68 N 5.57 0.00 0.00 -4.37 0.24 -1.26 -5.01 118.33 113.50 2aha n VAL 68 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 2aha n VAL 68 Cb 0.33 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2aha n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aha n GLN 69 N 0.00 0.00 0.08 7.34 6.02 -1.26 -0.56 117.38 129.00 2aha n GLN 69 Ca 0.00 0.32 0.10 0.00 -0.01 0.00 0.00 57.00 57.41 2aha n GLN 69 Cb 0.00 -1.55 0.42 0.00 1.02 0.00 0.00 30.24 30.13 2aha n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aha n PHE 71 N -1.95 0.00 -1.95 0.00 3.72 0.28 -4.76 117.46 112.80 2aha n PHE 71 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 2aha n PHE 71 Cb 0.22 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 2aha n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2aha s SER 72 N -2.12 5.19 -0.43 4.37 0.01 -0.60 -4.17 113.70 115.95 2aha s SER 72 Ca 0.38 2.50 -0.28 0.00 1.31 0.00 0.00 55.95 59.86 2aha s SER 72 Cb 0.21 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.85 2aha s SER 72 CO 0.38 -1.60 1.05 -0.60 0.41 0.00 0.00 173.24 172.88 2aha s ARG 73 N -3.19 3.76 -0.25 12.44 3.52 -0.07 -4.79 118.95 130.36 2aha s ARG 73 Ca 0.76 0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 56.85 2aha s ARG 73 Cb -0.33 -3.87 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 2aha s ARG 73 CO 0.37 -1.20 0.09 0.71 -0.81 0.00 0.00 175.30 174.46 2aha s TYR 74 N 4.02 3.12 0.56 5.12 1.51 -1.26 -0.70 117.35 129.71 2aha s TYR 74 Ca 0.44 -0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 56.00 2aha s TYR 74 Cb -0.09 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.46 2aha s TYR 74 CO 0.26 -0.29 1.17 -2.14 -1.11 0.00 0.00 175.55 173.44 2aha s PRO 75 N 1.53 3.23 0.30 -1.71 0.02 -1.26 -4.74 135.00 132.37 2aha s PRO 75 Ca 0.06 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.83 2aha s PRO 75 Cb -0.15 -2.02 0.72 0.00 0.02 0.00 0.00 34.50 33.07 2aha s PRO 75 CO 0.05 -0.98 1.60 0.38 -0.33 0.00 0.00 177.00 177.72 2aha h ASP 76 N 1.16 -0.30 0.37 2.53 -0.00 -2.00 1.24 116.42 119.40 2aha h ASP 76 Ca -0.50 0.25 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 2aha h ASP 76 Cb 1.28 0.40 0.00 0.00 -0.00 0.00 0.00 39.33 41.01 2aha h ASP 76 CO 0.56 -0.28 0.00 0.00 -0.00 0.00 0.00 179.24 179.52 2aha n HIS 77 N -5.39 0.51 0.20 4.15 1.44 -1.26 -1.89 115.22 112.97 2aha n HIS 77 Ca 0.22 0.23 0.05 0.00 -2.01 0.00 0.00 57.72 56.21 2aha n HIS 77 Cb 0.72 -0.86 0.08 0.00 0.12 0.00 0.00 29.99 30.05 2aha n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2aha n MET 78 N -1.99 1.41 -0.38 -1.40 2.00 0.42 -4.68 117.12 112.51 2aha n MET 78 Ca 0.01 -1.48 0.36 0.00 0.00 0.00 0.00 57.70 56.60 2aha n MET 78 Cb 0.13 -1.22 0.73 0.00 0.00 0.00 0.00 33.22 32.86 2aha n MET 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2aha h LYS 79 N 1.98 0.04 0.00 0.03 1.79 -0.95 0.41 116.57 119.88 2aha h LYS 79 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2aha h LYS 79 Cb 0.55 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2aha h LYS 79 CO 0.00 0.03 0.00 0.54 -1.08 0.00 0.00 179.45 178.94 2aha n ARG 80 N -4.21 0.64 -0.16 3.15 3.00 -1.26 -2.69 116.66 115.12 2aha n ARG 80 Ca 0.28 0.02 0.07 0.00 -0.01 0.00 0.00 57.85 58.21 2aha n ARG 80 Cb 1.32 -1.50 0.14 0.00 0.00 0.00 0.00 32.46 32.42 2aha n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2aha n HIS 81 N -1.06 0.30 -3.08 -1.55 8.25 0.14 -4.54 115.22 113.69 2aha n HIS 81 Ca 0.16 -0.79 -0.44 0.00 -0.26 0.00 0.00 57.72 56.38 2aha n HIS 81 Cb 0.10 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 2aha n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2aha s ASP 82 N -1.97 7.03 0.14 0.41 -1.08 -1.10 -4.50 116.67 115.59 2aha s ASP 82 Ca 0.26 -2.95 -0.15 0.00 -0.52 0.00 0.00 52.55 49.19 2aha s ASP 82 Cb 0.21 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 2aha s ASP 82 CO 0.06 -0.67 1.67 0.15 0.52 0.00 0.00 175.17 176.89 2aha h PHE 83 N 7.39 0.67 -0.49 -5.34 3.57 -1.90 -2.42 116.94 118.42 2aha h PHE 83 Ca 0.23 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.75 2aha h PHE 83 Cb 0.92 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 2aha h PHE 83 CO 1.02 0.60 0.11 0.74 -2.23 0.00 0.00 178.31 178.56 2aha h PHE 84 N 0.54 0.18 0.00 0.41 0.04 -1.89 -1.43 116.94 114.80 2aha h PHE 84 Ca 0.14 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.77 2aha h PHE 84 Cb 0.24 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2aha h PHE 84 CO 0.01 0.01 -0.77 0.87 -0.60 0.00 0.00 178.31 177.83 2aha h LYS 85 N 0.25 0.00 0.00 1.51 1.57 -1.85 -3.05 116.57 115.00 2aha h LYS 85 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2aha h LYS 85 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2aha h LYS 85 CO -0.31 0.77 -0.07 0.66 -0.57 0.00 0.00 179.45 179.93 2aha h SER 86 N 0.00 0.00 0.94 0.86 4.64 -0.77 -1.13 113.55 118.10 2aha h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2aha h SER 86 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2aha h SER 86 CO 0.10 0.07 -0.18 0.00 -0.87 0.00 0.00 176.83 175.95 2aha n ALA 87 N -2.32 2.68 -1.89 5.18 0.00 -0.77 -4.80 120.51 118.60 2aha n ALA 87 Ca -0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 2aha n ALA 87 Cb 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2aha n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2aha s MET 88 N -3.03 3.64 0.24 0.00 1.00 -0.43 -0.68 119.30 120.05 2aha s MET 88 Ca 0.12 0.75 0.26 0.00 0.00 0.00 0.00 55.69 56.82 2aha s MET 88 Cb 0.17 -2.10 0.72 0.00 0.00 0.00 0.00 34.83 33.62 2aha s MET 88 CO 0.60 -0.51 1.73 -1.00 0.00 0.00 0.00 175.02 175.84 2aha h PRO 89 N -0.12 0.00 -0.58 2.03 0.13 -1.88 -3.35 132.00 128.22 2aha h PRO 89 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2aha h PRO 89 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2aha h PRO 89 CO 0.62 0.00 0.39 0.93 -0.23 0.00 0.00 178.00 179.71 2aha h GLU 90 N 0.00 0.74 0.00 0.86 3.07 -1.90 -2.92 114.58 114.43 2aha h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2aha h GLU 90 Cb 0.78 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2aha h GLU 90 CO 0.00 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 2aha n GLY 91 N -1.45 -4.13 3.18 -3.84 0.00 0.15 -4.66 105.19 94.43 2aha n GLY 91 Ca 0.06 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2aha n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2aha s TYR 92 N -0.92 0.92 -0.18 1.61 -0.85 -0.58 0.49 117.35 117.84 2aha s TYR 92 Ca 0.00 -1.00 -0.09 0.00 -0.52 0.00 0.00 57.07 55.46 2aha s TYR 92 Cb 0.00 -0.54 -0.05 0.00 0.38 0.00 0.00 41.96 41.75 2aha s TYR 92 CO 0.00 -0.24 0.12 0.08 -1.52 0.00 0.00 175.55 173.99 2aha s VAL 93 N -3.72 5.30 -0.09 -3.49 1.01 0.77 -0.10 120.40 120.08 2aha s VAL 93 Ca 0.16 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2aha s VAL 93 Cb 0.06 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 2aha s VAL 93 CO -0.02 0.48 -0.23 -1.58 0.00 0.00 0.00 175.10 173.75 2aha s GLN 94 N 0.09 2.99 0.03 2.72 0.74 0.40 -1.93 119.66 124.70 2aha s GLN 94 Ca 0.08 -0.86 0.06 0.00 0.05 0.00 0.00 55.36 54.70 2aha s GLN 94 Cb -0.11 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.66 2aha s GLN 94 CO -0.01 0.23 -0.18 -1.21 -0.55 0.00 0.00 175.29 173.58 2aha s GLU 95 N 0.22 1.24 0.21 1.67 2.02 -0.53 -0.13 118.70 123.40 2aha s GLU 95 Ca -0.14 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.00 2aha s GLU 95 Cb -0.17 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 2aha s GLU 95 CO 0.07 0.33 0.26 1.03 0.02 0.00 0.00 175.26 176.97 2aha s ARG 96 N -0.94 1.29 -0.05 1.61 0.52 0.59 -1.81 118.95 120.16 2aha s ARG 96 Ca 0.05 -1.44 -0.00 0.00 -0.52 0.00 0.00 55.73 53.83 2aha s ARG 96 Cb -0.08 0.35 0.03 0.00 0.52 0.00 0.00 34.95 35.77 2aha s ARG 96 CO 0.01 -0.47 -0.01 0.99 0.02 0.00 0.00 175.30 175.84 2aha s THR 97 N -4.08 0.36 -0.20 0.02 2.01 -0.77 -0.71 115.64 112.28 2aha s THR 97 Ca 0.30 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2aha s THR 97 Cb 0.04 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 72.12 2aha s THR 97 CO 0.09 0.22 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.46 2aha s ILE 98 N 1.41 1.89 -0.24 1.82 1.01 0.22 -1.77 121.20 125.55 2aha s ILE 98 Ca -0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 2aha s ILE 98 Cb -0.13 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2aha s ILE 98 CO -0.03 0.29 0.13 -0.36 0.00 0.00 0.00 174.94 174.98 2aha s PHE 99 N 1.31 3.24 -0.12 3.97 0.40 -0.13 -1.32 117.98 125.32 2aha s PHE 99 Ca 0.00 0.05 -0.23 0.00 -0.60 0.00 0.00 56.93 56.15 2aha s PHE 99 Cb -0.15 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 2aha s PHE 99 CO -0.10 -0.04 0.72 -0.06 0.70 0.00 0.00 175.22 176.44 2aha s PHE 100 N 1.16 3.49 0.26 0.36 0.40 -0.79 -0.85 117.98 122.01 2aha s PHE 100 Ca 0.06 1.18 -0.31 0.00 -0.60 0.00 0.00 56.93 57.26 2aha s PHE 100 Cb -0.14 -2.86 -0.12 0.00 0.51 0.00 0.00 43.02 40.41 2aha s PHE 100 CO 0.05 -0.06 1.58 0.36 0.70 0.00 0.00 175.22 177.85 2aha n LYS 101 N 4.46 2.54 -2.66 0.44 0.00 0.03 -1.49 118.16 121.48 2aha n LYS 101 Ca 0.00 0.91 -0.21 0.00 -0.00 0.00 0.00 58.31 59.01 2aha n LYS 101 Cb 0.50 -2.68 0.01 0.00 -0.00 0.00 0.00 35.03 32.87 2aha n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2aha n ASP 102 N 2.60 -5.82 -0.84 -5.58 8.00 -1.26 -4.81 116.55 108.83 2aha n ASP 102 Ca 0.11 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2aha n ASP 102 Cb 0.35 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2aha n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2aha n ASP 103 N -2.05 0.00 -2.88 -2.24 -0.08 -0.55 -4.94 116.55 103.81 2aha n ASP 103 Ca -0.18 -0.84 0.00 0.00 -1.51 0.00 0.00 54.79 52.26 2aha n ASP 103 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 2aha n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aha n GLY 104 N 0.00 -1.87 3.12 0.27 0.00 -1.05 -4.56 105.19 101.09 2aha n GLY 104 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2aha n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aha s ASN 105 N -1.35 0.14 -0.02 1.61 2.20 -0.09 -1.88 114.94 115.55 2aha s ASN 105 Ca 0.00 -0.47 0.02 0.00 -0.94 0.00 0.00 52.86 51.47 2aha s ASN 105 Cb 0.00 0.23 -0.03 0.00 -2.00 0.00 0.00 41.25 39.45 2aha s ASN 105 CO 0.00 -0.49 -0.03 -0.31 -2.94 0.00 0.00 177.10 173.33 2aha s TYR 106 N -2.42 3.01 -0.08 1.54 2.02 -0.44 -0.94 117.35 120.04 2aha s TYR 106 Ca -0.06 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2aha s TYR 106 Cb -0.02 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2aha s TYR 106 CO -0.04 0.42 -0.16 0.15 -1.57 0.00 0.00 175.55 174.36 2aha s LYS 107 N -1.33 2.09 0.09 -0.62 3.01 0.12 -0.61 119.74 122.49 2aha s LYS 107 Ca 0.17 -0.55 0.05 0.00 -1.01 0.00 0.00 55.97 54.63 2aha s LYS 107 Cb -0.11 -1.68 -0.03 0.00 -1.01 0.00 0.00 37.83 35.00 2aha s LYS 107 CO 0.07 0.06 -0.14 0.95 0.51 0.00 0.00 175.35 176.80 2aha s THR 108 N 0.61 1.14 -0.06 2.17 -4.23 0.11 -1.01 115.64 114.38 2aha s THR 108 Ca -0.15 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 2aha s THR 108 Cb -0.16 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.49 2aha s THR 108 CO 0.05 -0.31 0.00 -0.60 -0.54 0.00 0.00 174.62 173.22 2aha s ARG 109 N -2.09 0.53 0.16 3.99 3.52 -0.69 -0.30 118.95 124.08 2aha s ARG 109 Ca 0.01 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2aha s ARG 109 Cb -0.08 -0.85 -0.05 0.00 -1.56 0.00 0.00 34.95 32.41 2aha s ARG 109 CO 0.02 -0.26 -0.08 0.00 -0.81 0.00 0.00 175.30 174.17 2aha s ALA 110 N 1.74 1.53 -0.08 6.12 0.00 0.82 -1.83 121.76 130.05 2aha s ALA 110 Ca 0.01 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.47 2aha s ALA 110 Cb -0.13 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 2aha s ALA 110 CO -0.04 -0.12 -0.22 -1.21 0.00 0.00 0.00 175.76 174.17 2aha s GLU 111 N -3.77 2.60 -0.16 0.00 2.02 0.17 -0.45 118.70 119.12 2aha s GLU 111 Ca 0.19 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2aha s GLU 111 Cb 0.03 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.21 2aha s GLU 111 CO 0.02 0.21 -0.20 0.08 0.02 0.00 0.00 175.26 175.39 2aha s VAL 112 N 0.23 2.15 0.09 2.63 1.01 0.86 -1.08 120.40 126.29 2aha s VAL 112 Ca -0.13 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 2aha s VAL 112 Cb -0.16 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.43 2aha s VAL 112 CO 0.06 0.54 1.10 -1.59 0.00 0.00 0.00 175.10 175.21 2aha s LYS 113 N 0.99 0.91 0.15 2.72 -2.85 -0.37 -1.53 119.74 119.76 2aha s LYS 113 Ca -0.02 -0.53 -0.27 0.00 -1.00 0.00 0.00 55.97 54.15 2aha s LYS 113 Cb -0.15 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.85 2aha s LYS 113 CO -0.06 -0.42 0.83 -0.06 0.10 0.00 0.00 175.35 175.75 2aha s PHE 114 N -2.75 3.87 -0.18 1.78 0.08 -1.10 0.63 117.98 120.31 2aha s PHE 114 Ca 0.15 1.68 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 2aha s PHE 114 Cb 0.01 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.64 2aha s PHE 114 CO 0.01 0.41 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.32 2aha s GLU 115 N -0.75 1.02 6.55 0.44 2.02 0.13 -4.91 118.70 123.20 2aha s GLU 115 Ca 0.39 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2aha s GLU 115 Cb -0.23 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2aha s GLU 115 CO 0.27 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.43 2aha n GLY 116 N 4.95 2.82 0.72 -1.39 0.00 -1.26 -0.77 105.19 110.26 2aha n GLY 116 Ca -0.10 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.70 2aha n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aha n ASP 117 N 3.11 2.17 -4.90 1.61 10.43 -1.26 -4.91 116.55 122.81 2aha n ASP 117 Ca 0.00 -1.76 -0.35 0.00 2.57 0.00 0.00 54.79 55.25 2aha n ASP 117 Cb 0.00 -0.10 -0.05 0.00 1.84 0.00 0.00 41.12 42.81 2aha n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2aha s THR 118 N -1.80 5.46 -0.27 -3.53 2.01 0.05 -4.41 115.64 113.14 2aha s THR 118 Ca 0.34 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.18 2aha s THR 118 Cb 0.20 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2aha s THR 118 CO 0.29 0.43 0.33 -0.22 -0.69 0.00 0.00 174.62 174.77 2aha s LEU 119 N -1.61 4.03 -0.08 4.42 1.98 -0.25 0.19 118.68 127.36 2aha s LEU 119 Ca 0.23 0.22 0.01 0.00 -2.89 0.00 0.00 54.13 51.71 2aha s LEU 119 Cb -0.12 -2.36 -0.02 0.00 0.66 0.00 0.00 46.19 44.34 2aha s LEU 119 CO 0.13 -0.15 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.63 2aha s VAL 120 N 2.00 3.25 -0.33 1.68 1.01 0.20 -1.42 120.40 126.78 2aha s VAL 120 Ca 0.13 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2aha s VAL 120 Cb -0.16 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 33.99 2aha s VAL 120 CO 0.10 0.57 0.04 0.21 0.00 0.00 0.00 175.10 176.02 2aha s ASN 121 N -0.35 4.80 -0.27 3.32 2.47 -0.45 -1.24 114.94 123.22 2aha s ASN 121 Ca 0.04 -1.94 -0.08 0.00 0.42 0.00 0.00 52.86 51.30 2aha s ASN 121 Cb -0.12 -1.65 -0.02 0.00 -1.45 0.00 0.00 41.25 38.00 2aha s ASN 121 CO 0.02 -0.36 0.08 -0.60 -3.72 0.00 0.00 177.10 172.52 2aha s ARG 122 N 1.00 3.51 0.09 0.43 3.52 -0.24 -1.29 118.95 125.97 2aha s ARG 122 Ca 0.06 -0.58 0.08 0.00 -0.13 0.00 0.00 55.73 55.16 2aha s ARG 122 Cb -0.20 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2aha s ARG 122 CO -0.06 -0.27 -0.22 0.42 -0.81 0.00 0.00 175.30 174.36 2aha s ILE 123 N 1.60 1.77 -0.18 4.11 1.01 0.14 0.42 121.20 130.07 2aha s ILE 123 Ca 0.06 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.21 2aha s ILE 123 Cb -0.16 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.76 2aha s ILE 123 CO 0.04 0.01 -0.14 -0.70 0.00 0.00 0.00 174.94 174.15 2aha s GLU 124 N -1.78 2.35 -0.04 2.79 2.12 -0.76 -0.25 118.70 123.13 2aha s GLU 124 Ca 0.07 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2aha s GLU 124 Cb -0.10 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2aha s GLU 124 CO 0.04 -0.32 -0.24 -1.17 -0.54 0.00 0.00 175.26 173.03 2aha s LEU 125 N 1.39 2.04 -0.09 2.70 0.20 0.16 -1.70 118.68 123.38 2aha s LEU 125 Ca 0.02 -0.46 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 2aha s LEU 125 Cb -0.14 -1.27 0.03 0.00 -0.43 0.00 0.00 46.19 44.37 2aha s LEU 125 CO -0.10 0.26 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.42 2aha s LYS 126 N -0.32 1.12 0.01 1.98 2.36 -0.18 -1.92 119.74 122.79 2aha s LYS 126 Ca 0.02 -0.11 0.08 0.00 -2.55 0.00 0.00 55.97 53.42 2aha s LYS 126 Cb -0.12 -1.28 -0.02 0.00 -1.05 0.00 0.00 37.83 35.36 2aha s LYS 126 CO 0.01 -0.25 -0.26 0.20 1.55 0.00 0.00 175.35 176.61 2aha s GLY 127 N 1.69 1.34 0.32 5.54 0.00 0.09 0.11 107.32 116.41 2aha s GLY 127 Ca 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 2aha s GLY 127 CO -0.06 -1.03 0.43 -0.26 0.00 0.00 0.00 173.10 172.18 2aha s ILE 128 N -0.71 0.00 -1.27 0.90 -4.36 -0.12 -1.23 121.20 114.41 2aha s ILE 128 Ca 0.11 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2aha s ILE 128 Cb -0.10 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.03 2aha s ILE 128 CO 0.01 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.66 2aha n ASP 129 N -1.26 -4.93 -4.89 4.36 8.00 -1.26 -0.91 116.55 115.65 2aha n ASP 129 Ca 0.02 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 2aha n ASP 129 Cb 0.62 -3.49 0.01 0.00 -0.02 0.00 0.00 41.12 38.24 2aha n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aha s PHE 130 N -2.28 3.55 -0.33 1.24 0.40 -1.26 -2.54 117.98 116.76 2aha s PHE 130 Ca 0.00 1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 57.28 2aha s PHE 130 Cb 0.00 -2.62 -0.02 0.00 0.51 0.00 0.00 43.02 40.89 2aha s PHE 130 CO 0.00 -0.62 0.21 0.15 0.70 0.00 0.00 175.22 175.67 2aha s LYS 131 N -5.05 3.47 0.36 0.44 1.02 -1.26 -4.81 119.74 113.92 2aha s LYS 131 Ca 0.53 -0.65 0.19 0.00 0.02 0.00 0.00 55.97 56.06 2aha s LYS 131 Cb -0.11 -3.73 1.25 0.00 -0.52 0.00 0.00 37.83 34.72 2aha s LYS 131 CO 0.50 -0.42 1.62 0.93 -0.92 0.00 0.00 175.35 177.05 2aha h GLU 132 N 8.45 0.13 -0.60 1.68 4.39 -1.96 2.10 114.58 128.76 2aha h GLU 132 Ca -0.32 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2aha h GLU 132 Cb 1.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2aha h GLU 132 CO 0.62 0.09 0.00 -0.40 -1.16 0.00 0.00 179.01 178.16 2aha n ASP 133 N -5.16 4.22 -4.65 1.42 5.75 -1.26 -3.81 116.55 113.05 2aha n ASP 133 Ca 0.35 -2.30 -0.29 0.00 -0.01 0.00 0.00 54.79 52.55 2aha n ASP 133 Cb 1.17 -0.50 0.17 0.00 -1.03 0.00 0.00 41.12 40.94 2aha n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2aha s GLY 134 N -1.02 1.59 0.52 6.12 0.00 0.71 -4.67 107.32 110.57 2aha s GLY 134 Ca 0.46 -0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.31 2aha s GLY 134 CO 0.25 0.47 2.12 3.43 0.00 0.00 0.00 173.10 179.37 2aha h ASN 135 N -1.90 0.00 0.00 1.64 2.35 -1.93 0.40 115.58 116.14 2aha h ASN 135 Ca -0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2aha h ASN 135 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2aha h ASN 135 CO 0.53 0.08 0.00 -0.38 -1.65 0.00 0.00 177.43 176.01 2aha n ILE 136 N -4.03 0.00 0.31 2.81 -0.00 -1.26 -1.06 119.36 116.13 2aha n ILE 136 Ca -0.03 0.52 0.18 0.00 -0.00 0.00 0.00 62.75 63.43 2aha n ILE 136 Cb 0.17 -1.39 1.01 0.00 -0.00 0.00 0.00 39.64 39.43 2aha n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2aha h LEU 137 N 0.00 0.00 -0.61 1.39 3.38 -1.76 0.53 115.31 118.25 2aha h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aha h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2aha h LEU 137 CO 0.00 0.02 -0.27 0.61 0.09 0.00 0.00 178.44 178.89 2aha n GLY 138 N -1.01 -0.47 3.49 0.83 0.00 0.14 -4.92 105.19 103.25 2aha n GLY 138 Ca -0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 2aha n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aha n HIS 139 N -0.49 -2.20 -0.47 1.61 8.25 0.18 -4.88 115.22 117.22 2aha n HIS 139 Ca 0.12 0.66 0.06 0.00 -0.26 0.00 0.00 57.72 58.31 2aha n HIS 139 Cb 0.37 -3.71 0.18 0.00 1.12 0.00 0.00 29.99 27.95 2aha n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2aha n LYS 140 N -3.60 2.84 -3.37 -0.41 5.02 -0.22 -4.99 118.16 113.43 2aha n LYS 140 Ca -0.08 -2.30 -0.36 0.00 -2.02 0.00 0.00 58.31 53.55 2aha n LYS 140 Cb 0.60 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 2aha n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aha s LEU 141 N -1.69 4.37 0.71 -0.35 1.43 -1.25 0.25 118.68 122.15 2aha s LEU 141 Ca 0.28 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 2aha s LEU 141 Cb 0.19 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.27 2aha s LEU 141 CO 0.12 0.14 1.11 -1.61 0.23 0.00 0.00 176.35 176.33 2aha s GLU 142 N -1.80 2.55 -1.28 1.70 2.02 0.22 -4.77 118.70 117.32 2aha s GLU 142 Ca 0.36 1.32 -0.11 0.00 0.02 0.00 0.00 54.97 56.56 2aha s GLU 142 Cb -0.16 -1.92 0.15 0.00 0.10 0.00 0.00 34.13 32.31 2aha s GLU 142 CO 0.19 -1.44 1.82 0.98 0.02 0.00 0.00 175.26 176.83 2aha n TYR 143 N -2.87 3.45 -4.09 1.61 9.36 -1.26 -4.72 117.16 118.63 2aha n TYR 143 Ca 0.10 -2.92 -0.15 0.00 3.32 0.00 0.00 57.90 58.25 2aha n TYR 143 Cb 0.52 -2.07 -0.04 0.00 -0.63 0.00 0.00 39.34 37.12 2aha n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2aha s ASN 144 N 1.56 1.03 -0.02 2.98 6.03 -1.26 -4.87 114.94 120.38 2aha s ASN 144 Ca 0.41 -1.53 -0.21 0.00 -1.03 0.00 0.00 52.86 50.50 2aha s ASN 144 Cb 0.07 0.68 0.04 0.00 -3.03 0.00 0.00 41.25 39.01 2aha s ASN 144 CO -0.00 -1.32 0.45 -0.47 -2.03 0.00 0.00 177.10 173.72 2aha s TYR 145 N -2.96 -0.35 0.45 1.54 5.04 -1.26 -4.90 117.35 114.92 2aha s TYR 145 Ca 0.31 0.56 0.08 0.00 -2.44 0.00 0.00 57.07 55.58 2aha s TYR 145 Cb -0.01 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.52 2aha s TYR 145 CO 0.21 -0.48 0.46 0.54 -1.34 0.00 0.00 175.55 174.95 2aha s ASN 146 N -1.33 5.12 -0.10 4.32 4.22 -1.26 -4.79 114.94 121.12 2aha s ASN 146 Ca -0.12 -0.76 -0.06 0.00 -2.14 0.00 0.00 52.86 49.78 2aha s ASN 146 Cb -0.03 -0.36 -0.04 0.00 1.28 0.00 0.00 41.25 42.10 2aha s ASN 146 CO 0.06 -0.81 0.14 0.00 -2.04 0.00 0.00 177.10 174.45 2aha s HIS 148 N -1.08 0.10 -0.17 0.00 3.76 -0.40 -4.99 115.29 112.51 2aha s HIS 148 Ca 0.17 -0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2aha s HIS 148 Cb -0.12 0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.87 2aha s HIS 148 CO 0.07 -0.98 -0.03 -0.80 -0.85 0.00 0.00 174.74 172.15 2aha s ASN 149 N -2.94 4.73 -0.17 1.40 -0.87 -1.26 0.30 114.94 116.12 2aha s ASN 149 Ca 0.15 -0.18 -0.01 0.00 -1.57 0.00 0.00 52.86 51.25 2aha s ASN 149 Cb -0.01 -1.78 -0.01 0.00 -0.02 0.00 0.00 41.25 39.43 2aha s ASN 149 CO 0.03 0.12 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.88 2aha s VAL 150 N 0.67 2.97 -0.08 1.60 1.01 0.91 -4.90 120.40 122.57 2aha s VAL 150 Ca -0.02 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2aha s VAL 150 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2aha s VAL 150 CO 0.02 0.49 0.67 -0.31 0.00 0.00 0.00 175.10 175.97 2aha s TYR 151 N 0.94 3.56 -0.20 5.22 2.02 -1.26 -0.56 117.35 127.06 2aha s TYR 151 Ca -0.02 1.19 -0.09 0.00 -0.37 0.00 0.00 57.07 57.78 2aha s TYR 151 Cb -0.15 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 2aha s TYR 151 CO -0.01 0.08 0.10 0.42 -1.57 0.00 0.00 175.55 174.57 2aha s ILE 152 N 0.84 5.00 0.04 2.71 -1.09 0.29 -4.26 121.20 124.74 2aha s ILE 152 Ca 0.36 0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 2aha s ILE 152 Cb -0.17 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2aha s ILE 152 CO 0.17 0.43 -0.14 0.00 -1.23 0.00 0.00 174.94 174.17 2aha s MET 153 N 0.59 0.88 0.79 2.79 0.23 -0.40 -2.18 119.30 121.99 2aha s MET 153 Ca 0.05 -0.79 -0.11 0.00 -1.03 0.00 0.00 55.69 53.82 2aha s MET 153 Cb -0.12 -0.87 0.06 0.00 -1.53 0.00 0.00 34.83 32.37 2aha s MET 153 CO 0.01 0.21 1.09 0.00 -2.03 0.00 0.00 175.02 174.30 2aha s ALA 154 N -0.95 2.18 -0.41 3.16 0.00 -1.26 0.43 121.76 124.91 2aha s ALA 154 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2aha s ALA 154 Cb -0.08 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 19.96 2aha s ALA 154 CO 0.01 -1.81 0.37 0.34 0.00 0.00 0.00 175.76 174.67 2aha s ASP 155 N -3.45 1.29 0.23 0.00 -1.08 0.25 -4.51 116.67 109.40 2aha s ASP 155 Ca 0.61 -2.65 -0.09 0.00 -0.52 0.00 0.00 52.55 49.90 2aha s ASP 155 Cb -0.17 -0.07 0.37 0.00 -1.46 0.00 0.00 42.92 41.59 2aha s ASP 155 CO 0.56 -0.19 1.66 0.07 0.52 0.00 0.00 175.17 177.79 2aha h LYS 156 N 5.90 0.13 0.00 4.34 5.09 -1.95 0.71 116.57 130.79 2aha h LYS 156 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.93 2aha h LYS 156 Cb 0.95 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.26 2aha h LYS 156 CO 0.30 0.08 0.00 0.00 -2.09 0.00 0.00 179.45 177.74 2aha n GLN 157 N -5.29 0.00 0.00 0.07 -0.00 -1.26 -0.57 117.38 110.33 2aha n GLN 157 Ca 0.11 0.70 0.09 0.00 -0.00 0.00 0.00 57.00 57.90 2aha n GLN 157 Cb 0.41 -1.27 0.52 0.00 -0.00 0.00 0.00 30.24 29.90 2aha n GLN 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2aha n LYS 158 N -1.97 0.49 -3.17 2.61 4.01 -0.89 -4.86 118.16 114.38 2aha n LYS 158 Ca 0.00 0.03 -0.20 0.00 -0.51 0.00 0.00 58.31 57.63 2aha n LYS 158 Cb 0.00 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.07 2aha n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2aha n ASN 159 N -1.07 -5.75 0.00 4.39 5.15 0.23 -4.71 115.26 113.50 2aha n ASN 159 Ca 0.12 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2aha n ASN 159 Cb 0.08 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 34.84 2aha n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aha n GLY 160 N -1.62 3.62 3.27 8.20 0.00 -0.23 -4.35 105.19 114.08 2aha n GLY 160 Ca -0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 2aha n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aha s ILE 161 N 0.57 1.15 0.09 -0.61 -4.36 -0.84 0.85 121.20 118.05 2aha s ILE 161 Ca 0.00 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.41 2aha s ILE 161 Cb 0.00 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 2aha s ILE 161 CO 0.00 -0.66 -0.20 -0.54 0.24 0.00 0.00 174.94 173.78 2aha s LYS 162 N -3.77 1.12 -0.14 0.37 3.01 0.17 -1.39 119.74 119.11 2aha s LYS 162 Ca 0.19 -1.09 -0.24 0.00 -1.01 0.00 0.00 55.97 53.82 2aha s LYS 162 Cb 0.03 -1.33 0.06 0.00 -1.01 0.00 0.00 37.83 35.58 2aha s LYS 162 CO 0.02 0.31 0.61 0.08 0.51 0.00 0.00 175.35 176.88 2aha s VAL 163 N -1.11 0.01 -0.10 3.17 1.01 -0.36 -1.28 120.40 121.74 2aha s VAL 163 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2aha s VAL 163 Cb -0.10 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2aha s VAL 163 CO 0.04 -0.03 0.31 0.54 0.00 0.00 0.00 175.10 175.95 2aha s ASN 164 N -0.44 -0.30 -0.03 3.32 4.22 -1.26 -0.23 114.94 120.22 2aha s ASN 164 Ca -0.06 0.55 -0.29 0.00 -2.14 0.00 0.00 52.86 50.92 2aha s ASN 164 Cb -0.03 0.60 0.11 0.00 1.28 0.00 0.00 41.25 43.20 2aha s ASN 164 CO 0.05 -0.15 0.92 0.72 -2.04 0.00 0.00 177.10 176.59 2aha s PHE 165 N -0.03 -0.33 0.00 1.54 -0.71 -0.63 -4.56 117.98 113.27 2aha s PHE 165 Ca -0.02 0.22 0.03 0.00 -1.04 0.00 0.00 56.93 56.12 2aha s PHE 165 Cb -0.03 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 2aha s PHE 165 CO 0.01 -0.51 -0.05 0.15 -1.34 0.00 0.00 175.22 173.48 2aha s LYS 166 N -2.99 2.59 -0.02 1.99 3.01 -1.26 0.10 119.74 123.16 2aha s LYS 166 Ca 0.05 -0.70 0.08 0.00 -1.01 0.00 0.00 55.97 54.39 2aha s LYS 166 Cb -0.01 -2.53 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 2aha s LYS 166 CO -0.08 0.61 -0.25 0.42 0.51 0.00 0.00 175.35 176.55 2aha s ILE 167 N -1.02 2.01 -0.37 2.17 -1.09 0.17 -4.94 121.20 118.14 2aha s ILE 167 Ca 0.18 -1.09 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 2aha s ILE 167 Cb -0.11 -1.67 0.03 0.00 -1.58 0.00 0.00 42.46 39.13 2aha s ILE 167 CO 0.08 0.57 0.19 -0.13 -1.23 0.00 0.00 174.94 174.41 2aha s ARG 168 N -0.56 2.79 -0.22 2.79 3.00 -1.26 0.94 118.95 126.43 2aha s ARG 168 Ca 0.09 -1.10 -0.10 0.00 0.00 0.00 0.00 55.73 54.62 2aha s ARG 168 Cb -0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 34.95 31.13 2aha s ARG 168 CO -0.01 -0.69 0.13 -1.01 0.00 0.00 0.00 175.30 173.73 2aha s HIS 169 N 1.52 3.34 0.13 -0.53 3.76 0.30 -4.71 115.29 119.10 2aha s HIS 169 Ca 0.01 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 2aha s HIS 169 Cb -0.19 -2.20 -0.07 0.00 1.11 0.00 0.00 32.58 31.23 2aha s HIS 169 CO 0.06 0.16 1.15 -0.80 -0.85 0.00 0.00 174.74 174.45 2aha s ASN 170 N 0.70 7.17 0.01 1.40 0.02 -1.26 0.17 114.94 123.15 2aha s ASN 170 Ca 0.07 2.07 -0.19 0.00 -1.02 0.00 0.00 52.86 53.80 2aha s ASN 170 Cb -0.12 -2.59 -0.06 0.00 0.02 0.00 0.00 41.25 38.49 2aha s ASN 170 CO 0.01 -0.34 0.54 -0.63 0.02 0.00 0.00 177.10 176.70 2aha s ILE 171 N 0.30 4.91 0.03 0.60 1.01 -0.37 0.69 121.20 128.37 2aha s ILE 171 Ca 0.53 1.12 -0.06 0.00 0.00 0.00 0.00 60.65 62.25 2aha s ILE 171 Cb -0.30 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 2aha s ILE 171 CO 0.33 0.48 1.00 -0.62 0.00 0.00 0.00 174.94 176.13 2aha n GLU 172 N 2.33 -0.08 -0.18 2.79 -0.58 0.14 -2.31 120.64 122.75 2aha n GLU 172 Ca -0.09 0.99 0.06 0.00 -0.42 0.00 0.00 57.16 57.70 2aha n GLU 172 Cb 0.51 -1.48 0.14 0.00 -0.57 0.00 0.00 31.44 30.04 2aha n GLU 172 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2aha n ASP 173 N -3.35 2.81 0.00 1.62 10.43 -1.26 -4.98 116.55 121.82 2aha n ASP 173 Ca 0.00 -2.59 0.00 0.00 2.57 0.00 0.00 54.79 54.77 2aha n ASP 173 Cb 0.05 -0.32 0.00 0.00 1.84 0.00 0.00 41.12 42.69 2aha n ASP 173 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2aha n GLY 174 N -0.56 3.60 0.00 0.44 0.00 -0.98 -5.11 105.19 102.58 2aha n GLY 174 Ca 0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2aha n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aha n SER 175 N 0.00 0.00 -4.11 1.61 3.41 -1.26 -4.47 113.62 108.79 2aha n SER 175 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2aha n SER 175 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2aha n SER 175 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2aha s VAL 176 N 0.45 0.43 -0.20 -3.33 -7.23 -1.26 -1.24 120.40 108.03 2aha s VAL 176 Ca 0.00 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2aha s VAL 176 Cb 0.00 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 2aha s VAL 176 CO 0.00 -0.86 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.27 2aha s GLN 177 N -3.49 3.32 0.20 4.82 2.00 0.13 -4.86 119.66 121.77 2aha s GLN 177 Ca 0.06 -0.66 -0.26 0.00 -2.00 0.00 0.00 55.36 52.49 2aha s GLN 177 Cb 0.04 -2.89 -0.08 0.00 0.80 0.00 0.00 33.01 30.88 2aha s GLN 177 CO -0.06 -0.14 0.82 -0.48 -0.50 0.00 0.00 175.29 174.93 2aha s LEU 178 N 1.28 4.58 -0.31 3.68 2.34 -1.26 -0.54 118.68 128.44 2aha s LEU 178 Ca 0.03 1.72 -0.00 0.00 0.06 0.00 0.00 54.13 55.94 2aha s LEU 178 Cb -0.14 -3.43 0.10 0.00 -0.56 0.00 0.00 46.19 42.16 2aha s LEU 178 CO -0.04 0.17 0.09 0.00 -1.06 0.00 0.00 176.35 175.52 2aha s ALA 179 N -1.20 1.71 -0.43 1.48 0.00 0.27 -0.79 121.76 122.79 2aha s ALA 179 Ca 0.38 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 2aha s ALA 179 Cb -0.23 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.24 2aha s ALA 179 CO 0.27 -1.67 0.99 0.34 0.00 0.00 0.00 175.76 175.69 2aha s ASP 180 N 1.52 6.61 -0.11 0.00 2.15 -0.03 0.42 116.67 127.24 2aha s ASP 180 Ca 0.10 0.40 -0.11 0.00 0.43 0.00 0.00 52.55 53.37 2aha s ASP 180 Cb -0.17 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2aha s ASP 180 CO -0.23 -1.03 0.24 -1.00 -0.17 0.00 0.00 175.17 172.97 2aha s HIS 181 N 3.84 3.58 -0.13 -5.34 3.76 0.28 -0.96 115.29 120.32 2aha s HIS 181 Ca 0.41 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2aha s HIS 181 Cb -0.10 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.47 2aha s HIS 181 CO 0.25 0.55 -0.11 0.71 -0.85 0.00 0.00 174.74 175.29 2aha s TYR 182 N -0.55 1.80 0.02 1.40 2.02 -0.73 -1.60 117.35 119.71 2aha s TYR 182 Ca 0.17 -0.94 0.03 0.00 -0.37 0.00 0.00 57.07 55.95 2aha s TYR 182 Cb -0.13 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2aha s TYR 182 CO 0.06 -0.57 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.24 2aha s GLN 183 N 1.52 0.61 -0.01 -0.62 0.74 0.67 -1.84 119.66 120.74 2aha s GLN 183 Ca 0.03 -0.56 0.03 0.00 0.05 0.00 0.00 55.36 54.91 2aha s GLN 183 Cb -0.13 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.46 2aha s GLN 183 CO -0.08 0.12 -0.10 -0.65 -0.55 0.00 0.00 175.29 174.03 2aha s GLN 184 N -0.95 0.89 -0.04 1.67 -0.21 -0.75 -1.22 119.66 119.05 2aha s GLN 184 Ca -0.03 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.03 2aha s GLN 184 Cb -0.07 -0.85 -0.00 0.00 1.00 0.00 0.00 33.01 33.09 2aha s GLN 184 CO 0.00 0.20 -0.15 -0.80 -2.12 0.00 0.00 175.29 172.42 2aha s ASN 185 N -0.13 1.88 0.02 5.90 -0.87 -0.49 -1.45 114.94 119.80 2aha s ASN 185 Ca 0.02 -0.30 0.02 0.00 -1.57 0.00 0.00 52.86 51.02 2aha s ASN 185 Cb -0.05 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.25 40.65 2aha s ASN 185 CO -0.00 0.13 -0.06 0.42 -2.57 0.00 0.00 177.10 175.02 2aha s THR 186 N 0.08 0.43 0.63 1.60 -4.23 -0.81 -1.98 115.64 111.35 2aha s THR 186 Ca -0.03 -0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 59.57 2aha s THR 186 Cb -0.11 -0.46 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 2aha s THR 186 CO 0.02 -0.21 1.27 -2.16 -0.54 0.00 0.00 174.62 173.00 2aha s PRO 187 N -1.00 2.70 -0.21 3.99 0.04 -1.26 -0.16 135.00 139.11 2aha s PRO 187 Ca -0.06 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 2aha s PRO 187 Cb -0.07 -1.88 -0.20 0.00 0.04 0.00 0.00 34.50 32.39 2aha s PRO 187 CO 0.00 -1.46 0.03 -0.89 0.04 0.00 0.00 177.00 174.71 2aha n ILE 188 N -1.78 1.61 -1.23 0.56 5.41 0.18 -4.71 119.36 119.40 2aha n ILE 188 Ca 0.15 -0.48 -0.25 0.00 1.00 0.00 0.00 62.75 63.18 2aha n ILE 188 Cb 0.48 -1.71 0.20 0.00 -0.71 0.00 0.00 39.64 37.90 2aha n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2aha n GLY 189 N 1.86 -2.29 0.00 7.39 0.00 -1.25 -4.98 105.19 105.91 2aha n GLY 189 Ca -0.40 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.15 2aha n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aha n ASP 190 N -4.28 0.82 -4.55 1.61 9.92 -1.26 -4.98 116.55 113.83 2aha n ASP 190 Ca 0.13 -0.74 -0.29 0.00 -0.53 0.00 0.00 54.79 53.37 2aha n ASP 190 Cb 0.49 1.19 0.23 0.00 -0.64 0.00 0.00 41.12 42.38 2aha n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2aha s GLY 191 N -3.08 1.57 0.41 0.44 0.00 -1.26 -4.97 107.32 100.42 2aha s GLY 191 Ca 0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 44.72 44.43 2aha s GLY 191 CO 0.78 0.58 1.19 2.56 0.00 0.00 0.00 173.10 178.20 2aha s PRO 192 N -4.58 4.00 0.43 2.90 0.04 -1.26 -5.04 135.00 131.49 2aha s PRO 192 Ca 0.67 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.63 2aha s PRO 192 Cb -0.23 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2aha s PRO 192 CO 0.62 -0.38 0.06 0.14 0.04 0.00 0.00 177.00 177.49 2aha s VAL 193 N -1.40 1.04 -0.24 -0.36 -7.23 -1.26 -4.86 120.40 106.08 2aha s VAL 193 Ca 0.58 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2aha s VAL 193 Cb -0.32 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2aha s VAL 193 CO 0.40 0.00 0.14 -0.76 -0.31 0.00 0.00 175.10 174.57 2aha s LEU 194 N -3.69 3.96 -0.34 1.32 1.02 -1.26 -5.03 118.68 114.66 2aha s LEU 194 Ca 0.21 0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.31 2aha s LEU 194 Cb 0.04 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.21 2aha s LEU 194 CO 0.11 0.03 0.13 -0.76 0.02 0.00 0.00 176.35 175.88 2aha s LEU 195 N 1.23 4.32 0.53 1.79 1.43 -1.26 -4.05 118.68 122.67 2aha s LEU 195 Ca 0.07 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.14 2aha s LEU 195 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 2aha s LEU 195 CO 0.06 -0.31 0.82 -2.16 0.23 0.00 0.00 176.35 174.98 2aha s PRO 196 N 1.47 3.04 0.90 1.29 0.04 -1.26 -4.94 135.00 135.55 2aha s PRO 196 Ca 0.00 -0.12 -0.14 0.00 0.04 0.00 0.00 61.00 60.78 2aha s PRO 196 Cb -0.19 -2.37 0.15 0.00 0.04 0.00 0.00 34.50 32.13 2aha s PRO 196 CO 0.04 -0.50 1.25 -0.51 0.04 0.00 0.00 177.00 177.32 2aha s ASP 197 N -4.25 3.70 0.29 6.66 1.11 -1.26 -3.99 116.67 118.93 2aha s ASP 197 Ca 0.51 0.51 -0.30 0.00 0.18 0.00 0.00 52.55 53.46 2aha s ASP 197 Cb -0.10 -0.77 -0.13 0.00 1.07 0.00 0.00 42.92 42.99 2aha s ASP 197 CO 0.43 -2.39 1.36 0.59 1.18 0.00 0.00 175.17 176.34 2aha n ASN 198 N -3.59 2.79 -1.61 0.27 4.13 -1.26 -4.78 115.26 111.21 2aha n ASN 198 Ca 0.12 1.17 -0.01 0.00 1.68 0.00 0.00 54.58 57.54 2aha n ASN 198 Cb 0.60 -1.46 0.01 0.00 -1.54 0.00 0.00 39.78 37.39 2aha n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aha n HIS 199 N 1.21 -0.93 -4.01 3.10 1.44 -0.93 -4.78 115.22 110.34 2aha n HIS 199 Ca 0.08 -0.39 -0.09 0.00 -2.01 0.00 0.00 57.72 55.31 2aha n HIS 199 Cb 0.34 0.19 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 2aha n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2aha s TYR 200 N -5.43 0.49 -0.20 -1.40 -0.85 -0.79 0.11 117.35 109.28 2aha s TYR 200 Ca 0.06 -0.90 -0.03 0.00 -0.52 0.00 0.00 57.07 55.68 2aha s TYR 200 Cb -0.01 -0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.11 2aha s TYR 200 CO 0.02 -0.59 -0.06 -0.51 -1.52 0.00 0.00 175.55 172.89 2aha s LEU 201 N -2.96 2.90 -0.40 -3.49 1.43 0.27 0.03 118.68 116.46 2aha s LEU 201 Ca 0.16 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2aha s LEU 201 Cb 0.05 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2aha s LEU 201 CO -0.03 0.02 0.77 -0.55 0.23 0.00 0.00 176.35 176.80 2aha s SER 202 N 1.21 6.48 -0.20 2.29 0.15 0.26 -0.06 113.70 123.83 2aha s SER 202 Ca 0.02 0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 2aha s SER 202 Cb -0.14 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2aha s SER 202 CO -0.02 -0.79 -0.15 0.28 1.20 0.00 0.00 173.24 173.76 2aha s THR 203 N 3.14 2.40 -0.26 6.45 -1.32 0.15 -0.94 115.64 125.26 2aha s THR 203 Ca 0.30 -0.87 -0.08 0.00 -1.21 0.00 0.00 61.69 59.83 2aha s THR 203 Cb -0.13 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.77 2aha s THR 203 CO 0.19 0.48 0.11 0.00 -2.21 0.00 0.00 174.62 173.19 2aha s SER 205 N 1.66 2.14 -0.02 0.00 0.01 -1.26 0.01 113.70 116.23 2aha s SER 205 Ca 0.06 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.61 2aha s SER 205 Cb -0.15 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.97 2aha s SER 205 CO 0.06 0.06 0.32 0.00 0.41 0.00 0.00 173.24 174.09 2aha s ALA 206 N -0.99 -0.81 -0.03 1.44 0.00 -0.17 -4.62 121.76 116.57 2aha s ALA 206 Ca 0.04 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2aha s ALA 206 Cb -0.09 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2aha s ALA 206 CO 0.02 -0.26 -0.06 -0.51 0.00 0.00 0.00 175.76 174.96 2aha s LEU 207 N -1.25 3.22 0.31 0.00 1.43 -1.26 -1.82 118.68 119.31 2aha s LEU 207 Ca -0.13 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2aha s LEU 207 Cb -0.05 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2aha s LEU 207 CO 0.04 0.32 0.28 -0.55 0.23 0.00 0.00 176.35 176.67 2aha s SER 208 N -1.14 1.42 0.21 2.29 0.15 0.13 -4.97 113.70 111.79 2aha s SER 208 Ca 0.15 -1.69 0.07 0.00 0.70 0.00 0.00 55.95 55.18 2aha s SER 208 Cb -0.11 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2aha s SER 208 CO 0.05 -1.05 -0.12 -0.54 1.20 0.00 0.00 173.24 172.77 2aha s LYS 209 N -3.50 1.34 -0.24 5.44 1.02 -1.26 -0.40 119.74 122.13 2aha s LYS 209 Ca 0.40 -1.61 -0.06 0.00 0.02 0.00 0.00 55.97 54.72 2aha s LYS 209 Cb 0.03 -1.08 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2aha s LYS 209 CO 0.25 0.15 0.02 0.34 -0.92 0.00 0.00 175.35 175.19 2aha s ASP 210 N -3.32 4.74 0.49 2.83 -1.08 -1.26 -4.88 116.67 114.18 2aha s ASP 210 Ca 0.23 -0.39 0.21 0.00 -0.52 0.00 0.00 52.55 52.08 2aha s ASP 210 Cb 0.00 -1.83 1.25 0.00 -1.46 0.00 0.00 42.92 40.89 2aha s ASP 210 CO 0.07 -0.05 1.98 1.55 0.52 0.00 0.00 175.17 179.24 2aha h PRO 211 N 8.18 0.16 -0.01 4.34 0.13 -2.04 -1.49 132.00 141.27 2aha h PRO 211 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2aha h PRO 211 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2aha h PRO 211 CO 0.59 0.11 -0.17 -1.71 -0.23 0.00 0.00 178.00 176.59 2aha n ASN 212 N -4.42 1.13 -4.62 1.44 5.15 -1.26 -4.89 115.26 107.79 2aha n ASN 212 Ca 0.10 -1.06 -0.39 0.00 -0.60 0.00 0.00 54.58 52.63 2aha n ASN 212 Cb 0.53 0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 39.77 2aha n ASN 212 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2aha s GLU 213 N -2.34 4.07 0.05 1.20 2.56 -0.56 -4.94 118.70 118.74 2aha s GLU 213 Ca 0.29 0.16 0.06 0.00 0.00 0.00 0.00 54.97 55.49 2aha s GLU 213 Cb 0.20 -3.63 -0.23 0.00 2.00 0.00 0.00 34.13 32.47 2aha s GLU 213 CO 0.46 -0.25 1.04 1.57 -0.56 0.00 0.00 175.26 177.52 2aha h LYS 214 N 7.95 0.05 -7.42 4.30 2.10 -1.90 -3.47 116.57 118.19 2aha h LYS 214 Ca -0.32 -0.09 -0.49 0.00 -2.00 0.00 0.00 60.65 57.75 2aha h LYS 214 Cb 1.16 0.03 0.09 0.00 -0.90 0.00 0.00 32.23 32.61 2aha h LYS 214 CO 0.68 0.89 0.37 1.03 -2.00 0.00 0.00 179.45 180.43 2aha s ARG 215 N -2.66 2.60 0.01 0.07 0.52 -1.26 -4.94 118.95 113.28 2aha s ARG 215 Ca -0.02 0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 2aha s ARG 215 Cb 0.09 -1.98 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 2aha s ARG 215 CO 0.83 -1.26 1.88 0.34 0.02 0.00 0.00 175.30 177.11 2aha s ASP 216 N -4.06 6.51 0.32 0.23 2.15 -1.26 -4.93 116.67 115.63 2aha s ASP 216 Ca 0.59 2.54 -0.06 0.00 0.43 0.00 0.00 52.55 56.05 2aha s ASP 216 Cb -0.13 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 2aha s ASP 216 CO 0.53 -1.02 0.50 -1.38 -0.17 0.00 0.00 175.17 173.63 2aha s HIS 217 N 4.37 0.80 -0.09 -5.34 -3.43 -1.26 -1.32 115.29 109.01 2aha s HIS 217 Ca 0.84 -1.11 -0.07 0.00 -0.80 0.00 0.00 55.06 53.92 2aha s HIS 217 Cb -0.40 0.07 0.03 0.00 -1.43 0.00 0.00 32.58 30.85 2aha s HIS 217 CO 0.38 -1.14 0.22 1.41 -2.00 0.00 0.00 174.74 173.61 2aha s MET 218 N -3.21 0.25 -0.20 -0.38 1.75 -0.16 -4.95 119.30 112.40 2aha s MET 218 Ca 0.27 0.34 -0.05 0.00 -1.25 0.00 0.00 55.69 55.01 2aha s MET 218 Cb -0.01 0.09 -0.02 0.00 2.84 0.00 0.00 34.83 37.73 2aha s MET 218 CO 0.16 -0.05 -0.01 0.08 -0.65 0.00 0.00 175.02 174.55 2aha s VAL 219 N 0.29 3.85 -0.18 10.11 1.01 0.46 -0.92 120.40 135.03 2aha s VAL 219 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2aha s VAL 219 Cb -0.03 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 2aha s VAL 219 CO -0.01 0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 175.19 2aha s LEU 220 N 0.97 2.60 -0.05 3.92 2.96 0.48 0.19 118.68 129.75 2aha s LEU 220 Ca 0.01 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2aha s LEU 220 Cb -0.14 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2aha s LEU 220 CO 0.01 0.05 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.13 2aha s LEU 221 N 1.03 1.99 0.10 -0.68 1.02 -0.76 -0.87 118.68 120.51 2aha s LEU 221 Ca -0.01 -0.41 -0.09 0.00 0.02 0.00 0.00 54.13 53.63 2aha s LEU 221 Cb -0.15 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 44.93 2aha s LEU 221 CO -0.02 0.20 0.23 -1.61 0.02 0.00 0.00 176.35 175.16 2aha s GLU 222 N -0.09 0.91 -0.04 1.70 2.02 -0.39 -1.00 118.70 121.81 2aha s GLU 222 Ca -0.02 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.01 2aha s GLU 222 Cb -0.12 0.36 0.02 0.00 0.10 0.00 0.00 34.13 34.50 2aha s GLU 222 CO 0.02 -0.30 -0.02 0.50 0.02 0.00 0.00 175.26 175.48 2aha s ARG 223 N -3.87 0.57 -0.04 1.61 3.52 0.10 -1.35 118.95 119.49 2aha s ARG 223 Ca 0.06 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2aha s ARG 223 Cb 0.04 -0.67 0.02 0.00 -1.56 0.00 0.00 34.95 32.79 2aha s ARG 223 CO -0.10 -0.11 -0.03 0.08 -0.81 0.00 0.00 175.30 174.33 2aha s VAL 224 N 0.99 0.44 -0.02 7.11 1.01 0.19 -0.53 120.40 129.59 2aha s VAL 224 Ca -0.10 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2aha s VAL 224 Cb -0.14 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 2aha s VAL 224 CO -0.01 0.20 -0.10 -0.89 0.00 0.00 0.00 175.10 174.31 2aha s THR 225 N 0.97 0.83 0.40 3.92 2.01 -0.12 -0.90 115.64 122.76 2aha s THR 225 Ca -0.10 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 2aha s THR 225 Cb -0.14 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.55 2aha s THR 225 CO -0.00 0.25 0.97 0.00 -0.69 0.00 0.00 174.62 175.15 2aha s ALA 226 N 0.01 3.08 0.00 7.40 0.00 0.12 0.91 121.76 133.28 2aha s ALA 226 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2aha s ALA 226 Cb -0.07 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2aha s ALA 226 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 175.76 175.81 2aha n ALA 227 N -0.22 0.00 -0.92 0.00 0.00 0.11 -4.63 120.51 114.84 2aha n ALA 227 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2aha n ALA 227 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2aha n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aha n GLY 228 N 0.00 0.52 0.00 0.00 0.00 -1.26 -1.89 105.19 102.56 2aha n GLY 228 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2aha n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71