#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n SER 2 N 0.00 0.00 0.00 1.69 3.41 -1.26 -5.09 113.62 112.37 3hae n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hae n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hae n SER 2 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hae n GLU 3 N 0.68 0.00 0.00 4.33 2.13 -1.26 -5.04 120.64 121.48 3hae n GLU 3 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hae n GLU 3 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3hae n GLU 3 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hae n LEU 4 N 0.00 0.00 -0.12 4.31 4.32 -1.26 -3.99 117.00 120.26 3hae n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3hae n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3hae n LEU 4 CO 0.00 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 176.58 3hae n THR 5 N 0.00 -0.24 -4.31 -5.08 -1.04 -1.26 -3.48 114.28 98.86 3hae n THR 5 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3hae n THR 5 Cb 0.00 -0.30 -0.10 0.00 -1.82 0.00 0.00 70.33 68.10 3hae n THR 5 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hae s GLN 6 N -0.39 1.23 0.49 -2.82 -0.21 -1.26 -0.93 119.66 115.77 3hae s GLN 6 Ca 0.00 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 53.67 3hae s GLN 6 Cb 0.00 -1.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.89 3hae s GLN 6 CO 0.00 0.18 1.17 -0.35 -2.12 0.00 0.00 175.29 174.17 3hae n PRO 7 N -0.09 1.52 -0.28 2.91 -0.04 -1.26 -4.84 135.00 132.92 3hae n PRO 7 Ca -0.10 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 3hae n PRO 7 Cb 0.59 -2.32 0.23 0.00 -0.04 0.00 0.00 33.50 31.96 3hae n PRO 7 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3hae h ARG 8 N 1.45 0.50 -1.81 0.54 2.43 -1.98 -3.38 114.38 112.11 3hae h ARG 8 Ca -0.48 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3hae h ARG 8 Cb 1.32 -0.11 -0.23 0.00 -0.42 0.00 0.00 29.97 30.53 3hae h ARG 8 CO 0.56 0.33 0.13 0.45 -1.51 0.00 0.00 179.97 179.94 3hae s SER 9 N -5.35 -0.81 0.06 -3.80 0.15 -1.26 -2.07 113.70 100.63 3hae s SER 9 Ca -0.12 1.27 0.10 0.00 0.70 0.00 0.00 55.95 57.89 3hae s SER 9 Cb 0.22 1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 65.91 3hae s SER 9 CO 0.77 -0.20 -0.26 0.68 1.20 0.00 0.00 173.24 175.43 3hae s VAL 10 N 1.66 2.15 0.17 4.45 -7.23 -1.01 -4.87 120.40 115.71 3hae s VAL 10 Ca -0.09 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 3hae s VAL 10 Cb -0.05 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3hae s VAL 10 CO -0.18 0.29 -0.13 -0.94 -0.31 0.00 0.00 175.10 173.83 3hae s SER 11 N -1.43 2.23 0.20 4.85 1.04 -1.26 -2.83 113.70 116.50 3hae s SER 11 Ca 0.12 -0.96 -0.23 0.00 0.48 0.00 0.00 55.95 55.35 3hae s SER 11 Cb -0.10 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 65.98 3hae s SER 11 CO 0.03 -0.20 0.86 -0.83 0.98 0.00 0.00 173.24 174.08 3hae s GLY 12 N -3.05 -0.18 0.58 7.32 0.00 -1.18 -4.97 107.32 105.85 3hae s GLY 12 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 3hae s GLY 12 CO 0.04 -0.03 0.94 -0.56 0.00 0.00 0.00 173.10 173.49 3hae s SER 13 N -2.93 6.00 0.32 1.64 0.01 -1.26 -0.99 113.70 116.49 3hae s SER 13 Ca 0.12 1.09 -0.29 0.00 1.31 0.00 0.00 55.95 58.17 3hae s SER 13 Cb -0.03 -2.17 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 3hae s SER 13 CO 0.04 -0.89 1.51 -2.65 0.41 0.00 0.00 173.24 171.66 3hae n PRO 14 N -2.61 2.56 0.00 12.44 -0.02 -1.26 -1.85 135.00 144.27 3hae n PRO 14 Ca 0.04 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3hae n PRO 14 Cb 0.55 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hae n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 15 N 1.49 2.99 3.75 -1.23 0.00 -0.96 -4.89 105.19 106.35 3hae n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hae n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hae s GLN 16 N -0.23 1.59 0.23 1.61 -0.21 -0.77 -3.02 119.66 118.86 3hae s GLN 16 Ca 0.00 0.75 -0.16 0.00 0.02 0.00 0.00 55.36 55.97 3hae s GLN 16 Cb 0.00 -1.85 -0.08 0.00 1.00 0.00 0.00 33.01 32.08 3hae s GLN 16 CO 0.00 -1.99 0.67 -1.12 -2.12 0.00 0.00 175.29 170.73 3hae s SER 17 N -3.62 6.89 0.03 5.90 0.01 -1.26 -2.09 113.70 119.56 3hae s SER 17 Ca 0.62 1.26 0.02 0.00 1.31 0.00 0.00 55.95 59.16 3hae s SER 17 Cb -0.16 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 3hae s SER 17 CO 0.56 -0.02 -0.07 0.68 0.41 0.00 0.00 173.24 174.80 3hae s VAL 18 N -1.66 0.45 -0.04 3.43 -7.23 0.22 -4.94 120.40 110.63 3hae s VAL 18 Ca 0.45 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 3hae s VAL 18 Cb -0.14 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 3hae s VAL 18 CO 0.20 -0.31 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.60 3hae s THR 19 N -1.16 1.50 -0.27 5.32 2.01 -1.26 -0.54 115.64 121.24 3hae s THR 19 Ca -0.09 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.16 3hae s THR 19 Cb -0.09 -1.28 0.05 0.00 0.01 0.00 0.00 72.50 71.20 3hae s THR 19 CO 0.00 0.43 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 3hae s ILE 20 N -0.04 2.54 0.72 1.82 1.01 -0.50 -4.95 121.20 121.80 3hae s ILE 20 Ca -0.02 -1.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 3hae s ILE 20 Cb -0.11 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.95 3hae s ILE 20 CO 0.02 -0.01 1.07 -0.94 0.00 0.00 0.00 174.94 175.08 3hae s SER 21 N 1.19 5.13 -0.26 3.58 1.04 -1.26 -1.99 113.70 121.13 3hae s SER 21 Ca -0.06 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.85 3hae s SER 21 Cb -0.19 -2.34 0.15 0.00 0.10 0.00 0.00 66.02 63.73 3hae s SER 21 CO -0.04 -1.59 0.46 0.00 0.98 0.00 0.00 173.24 173.05 3hae s THR 23 N 2.66 2.39 0.00 0.00 -1.32 -0.11 -0.26 115.64 119.01 3hae s THR 23 Ca 0.14 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 3hae s THR 23 Cb -0.15 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 3hae s THR 23 CO -0.17 0.58 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 3hae n GLY 24 N 2.48 4.75 3.33 6.08 0.00 0.68 -4.16 105.19 118.35 3hae n GLY 24 Ca -0.17 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 3hae n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hae s THR 25 N 3.57 0.45 -2.00 2.61 -4.23 -1.26 -4.88 115.64 109.91 3hae s THR 25 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3hae s THR 25 Cb 0.00 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.52 3hae s THR 25 CO 0.00 0.00 0.97 -1.54 -0.54 0.00 0.00 174.62 173.51 3hae n SER 26 N -0.71 0.00 -0.05 3.99 3.41 -1.26 -1.42 113.62 117.57 3hae n SER 26 Ca 0.00 -0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.31 3hae n SER 26 Cb 0.66 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 3hae n SER 26 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hae n ARG 27 N -1.00 1.52 0.00 4.33 3.00 -1.26 -2.06 116.66 121.18 3hae n ARG 27 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3hae n ARG 27 Cb 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.15 3hae n ARG 27 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3hae n ASP 28 N -2.37 0.00 0.25 6.15 5.68 -1.05 -4.48 116.55 120.72 3hae n ASP 28 Ca -0.17 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.23 3hae n ASP 28 Cb 0.80 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.42 3hae n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3hae h VAL 29 N 0.00 0.61 0.00 2.12 2.07 -1.74 -1.07 116.25 118.24 3hae h VAL 29 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3hae h VAL 29 Cb 0.00 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3hae h VAL 29 CO 0.00 0.16 -1.20 0.61 0.02 0.00 0.00 177.57 177.16 3hae n GLY 30 N -0.49 -1.02 0.11 2.17 0.00 -0.51 -4.28 105.19 101.17 3hae n GLY 30 Ca -0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3hae n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hae h GLY 31 N 4.76 0.19 -3.78 -0.02 0.00 -0.71 -3.44 103.07 100.07 3hae h GLY 31 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3hae h GLY 31 CO 0.00 0.43 -0.47 -0.19 0.00 0.00 0.00 176.54 176.31 3hae s TYR 32 N -2.61 0.17 -1.00 5.60 2.02 -0.50 -4.98 117.35 116.05 3hae s TYR 32 Ca -0.10 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 3hae s TYR 32 Cb 0.07 -0.11 0.18 0.00 -0.40 0.00 0.00 41.96 41.70 3hae s TYR 32 CO 0.83 -0.42 2.31 0.09 -1.57 0.00 0.00 175.55 176.79 3hae n ASN 33 N 0.54 7.47 -3.46 2.29 3.02 -1.26 -4.64 115.26 119.23 3hae n ASN 33 Ca -0.18 -3.36 -0.26 0.00 -0.03 0.00 0.00 54.58 50.75 3hae n ASN 33 Cb 0.59 -1.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.42 3hae n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hae n TYR 34 N 0.87 1.15 -4.73 3.10 4.01 -1.26 -4.33 117.16 115.98 3hae n TYR 34 Ca 0.55 -3.79 -0.33 0.00 -0.16 0.00 0.00 57.90 54.18 3hae n TYR 34 Cb 0.32 -0.28 -0.12 0.00 -0.31 0.00 0.00 39.34 38.95 3hae n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hae s VAL 35 N -1.17 3.28 0.07 -0.72 1.01 -1.26 -2.21 120.40 119.39 3hae s VAL 35 Ca 0.33 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3hae s VAL 35 Cb 0.08 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3hae s VAL 35 CO -0.13 0.52 -0.08 -0.44 0.00 0.00 0.00 175.10 174.98 3hae s SER 36 N -0.97 1.05 0.03 3.32 0.01 -0.53 -1.25 113.70 115.36 3hae s SER 36 Ca 0.13 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.73 3hae s SER 36 Cb -0.11 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3hae s SER 36 CO 0.03 -0.29 -0.18 0.26 0.41 0.00 0.00 173.24 173.47 3hae s TRP 37 N -2.20 2.56 0.13 2.43 0.52 -0.80 -2.45 118.94 119.14 3hae s TRP 37 Ca -0.01 -0.25 0.09 0.00 0.02 0.00 0.00 56.10 55.95 3hae s TRP 37 Cb -0.04 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 3hae s TRP 37 CO -0.01 0.24 -0.16 0.71 0.02 0.00 0.00 176.95 177.75 3hae s TYR 38 N -0.91 2.56 -0.08 -1.98 2.02 0.19 -0.86 117.35 118.29 3hae s TYR 38 Ca 0.14 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 3hae s TYR 38 Cb -0.10 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3hae s TYR 38 CO 0.05 0.42 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.20 3hae s GLN 39 N -2.33 2.80 -0.07 -0.62 0.74 0.13 -0.71 119.66 119.61 3hae s GLN 39 Ca 0.20 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.97 3hae s GLN 39 Cb -0.10 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.51 3hae s GLN 39 CO 0.11 0.55 -0.00 -1.14 -0.55 0.00 0.00 175.29 174.26 3hae s GLN 40 N -0.52 0.67 0.33 1.67 0.74 -0.03 -0.13 119.66 122.40 3hae s GLN 40 Ca 0.07 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.54 3hae s GLN 40 Cb -0.12 -1.01 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 3hae s GLN 40 CO 0.02 -0.29 0.56 -1.01 -0.55 0.00 0.00 175.29 174.02 3hae s HIS 41 N 1.92 3.50 -0.06 1.67 3.76 -1.26 -1.35 115.29 123.46 3hae s HIS 41 Ca 0.04 0.48 -0.35 0.00 -0.15 0.00 0.00 55.06 55.08 3hae s HIS 41 Cb -0.12 -1.99 -0.13 0.00 1.11 0.00 0.00 32.58 31.45 3hae s HIS 41 CO -0.05 0.12 1.80 -2.30 -0.85 0.00 0.00 174.74 173.46 3hae n PRO 42 N -1.50 2.04 -3.71 8.40 -0.02 -1.26 -2.07 135.00 136.87 3hae n PRO 42 Ca -0.03 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 3hae n PRO 42 Cb 0.55 -2.56 0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3hae n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 43 N 4.17 -0.49 3.03 -1.23 0.00 -1.26 -4.91 105.19 104.49 3hae n GLY 43 Ca 0.22 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 3hae n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hae s LYS 44 N -6.33 0.38 0.53 1.61 2.20 -0.88 -5.15 119.74 112.10 3hae s LYS 44 Ca 0.52 -0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 3hae s LYS 44 Cb -0.25 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.16 3hae s LYS 44 CO 0.77 -0.07 1.23 0.00 -0.36 0.00 0.00 175.35 176.92 3hae s ALA 45 N -1.48 2.78 0.77 3.13 0.00 -1.26 -4.53 121.76 121.17 3hae s ALA 45 Ca -0.15 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3hae s ALA 45 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3hae s ALA 45 CO -0.00 -1.02 0.37 -2.30 0.00 0.00 0.00 175.76 172.80 3hae n PRO 46 N -1.04 0.16 -4.28 0.00 -0.02 -1.26 -4.69 135.00 123.87 3hae n PRO 46 Ca 0.10 0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.50 3hae n PRO 46 Cb 0.48 -1.72 -0.15 0.00 -0.02 0.00 0.00 33.50 32.09 3hae n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3hae s LYS 47 N -2.75 0.62 -0.17 -0.52 2.20 0.82 -4.96 119.74 114.98 3hae s LYS 47 Ca 0.62 -0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 55.73 3hae s LYS 47 Cb -0.32 -0.60 -0.02 0.00 -1.51 0.00 0.00 37.83 35.37 3hae s LYS 47 CO 0.62 0.15 0.75 -1.17 -0.36 0.00 0.00 175.35 175.34 3hae s LEU 48 N -0.11 4.18 -0.01 5.43 2.96 -1.26 -0.69 118.68 129.18 3hae s LEU 48 Ca 0.02 1.07 0.08 0.00 -0.22 0.00 0.00 54.13 55.08 3hae s LEU 48 Cb -0.04 -3.11 -0.13 0.00 0.50 0.00 0.00 46.19 43.41 3hae s LEU 48 CO -0.00 -0.33 0.19 2.30 -1.32 0.00 0.00 176.35 177.19 3hae n ILE 49 N 4.61 0.00 -3.84 6.68 -5.35 -0.04 -4.76 119.36 116.67 3hae n ILE 49 Ca 0.02 -0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 3hae n ILE 49 Cb 0.49 0.32 -0.10 0.00 -1.74 0.00 0.00 39.64 38.61 3hae n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 50 N -2.58 0.06 0.03 7.28 -1.09 -1.03 -4.35 121.20 119.54 3hae s ILE 50 Ca -0.03 -0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 57.71 3hae s ILE 50 Cb 0.05 -0.44 0.03 0.00 -1.58 0.00 0.00 42.46 40.52 3hae s ILE 50 CO 0.35 -0.29 0.35 -1.38 -1.23 0.00 0.00 174.94 172.74 3hae s HIS 51 N -1.10 -0.18 -1.06 3.97 -3.43 -0.12 -1.91 115.29 111.47 3hae s HIS 51 Ca -0.12 0.11 -0.03 0.00 -0.80 0.00 0.00 55.06 54.22 3hae s HIS 51 Cb -0.06 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 3hae s HIS 51 CO 0.02 -0.51 0.44 -0.25 -2.00 0.00 0.00 174.74 172.44 3hae n ASP 52 N 0.65 -4.71 0.00 7.38 8.00 -0.46 -1.56 116.55 125.85 3hae n ASP 52 Ca -0.19 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3hae n ASP 52 Cb 0.59 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 3hae n ASP 52 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hae n VAL 53 N -4.12 0.00 0.00 2.53 0.31 -0.38 -4.15 118.33 112.51 3hae n VAL 53 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3hae n VAL 53 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3hae n VAL 53 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hae n ILE 54 N 0.00 0.00 -2.06 2.52 -5.35 -1.22 -2.74 119.36 110.51 3hae n ILE 54 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 3hae n ILE 54 Cb 0.00 -0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 36.98 3hae n ILE 54 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 55 N -1.93 2.77 -0.15 7.28 -1.09 -0.60 -4.33 121.20 123.14 3hae s ILE 55 Ca 0.00 0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 58.96 3hae s ILE 55 Cb 0.00 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3hae s ILE 55 CO 0.00 0.10 0.20 -0.13 -1.23 0.00 0.00 174.94 173.89 3hae s ARG 56 N -0.34 4.01 0.41 2.79 0.52 -1.26 -0.94 118.95 124.14 3hae s ARG 56 Ca 0.59 -0.05 -0.26 0.00 -0.52 0.00 0.00 55.73 55.48 3hae s ARG 56 Cb -0.41 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.61 3hae s ARG 56 CO 0.42 0.43 1.36 -0.35 0.02 0.00 0.00 175.30 177.18 3hae n PRO 57 N 3.03 2.17 -1.65 3.54 -0.04 -1.26 -4.86 135.00 135.93 3hae n PRO 57 Ca -0.16 0.77 -0.48 0.00 -0.04 0.00 0.00 63.50 63.59 3hae n PRO 57 Cb 0.53 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 3hae n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hae n SER 58 N 0.20 2.75 0.00 3.54 2.88 -1.26 -2.33 113.62 119.40 3hae n SER 58 Ca 0.05 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3hae n SER 58 Cb 0.40 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3hae n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hae n GLY 59 N 3.32 2.37 3.75 0.46 0.00 -1.26 -5.11 105.19 108.73 3hae n GLY 59 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3hae n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 60 N 0.00 2.36 0.61 1.61 1.01 -0.99 -5.01 120.40 119.99 3hae s VAL 60 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 3hae s VAL 60 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3hae s VAL 60 CO 0.00 0.06 0.88 -2.65 0.00 0.00 0.00 175.10 173.38 3hae n PRO 61 N 1.90 0.78 0.30 2.72 -0.02 -1.26 -4.91 135.00 134.51 3hae n PRO 61 Ca 0.06 0.31 0.19 0.00 -2.02 0.00 0.00 63.50 62.04 3hae n PRO 61 Cb 0.39 -2.08 0.93 0.00 -0.02 0.00 0.00 33.50 32.72 3hae n PRO 61 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hae h ASP 62 N 0.37 0.00 -0.41 2.55 3.58 -1.99 -3.08 116.42 117.44 3hae h ASP 62 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3hae h ASP 62 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 3hae h ASP 62 CO 0.50 0.02 0.00 -2.11 -2.88 0.00 0.00 179.24 174.77 3hae n ARG 63 N -3.21 2.01 -3.89 0.28 1.85 -1.26 -4.77 116.66 107.67 3hae n ARG 63 Ca -0.01 -1.56 -0.35 0.00 -1.00 0.00 0.00 57.85 54.93 3hae n ARG 63 Cb 0.19 -1.35 -0.08 0.00 -1.05 0.00 0.00 32.46 30.16 3hae n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hae s PHE 64 N -1.46 3.38 -0.06 2.89 0.08 -1.16 -1.08 117.98 120.57 3hae s PHE 64 Ca 0.30 0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.56 3hae s PHE 64 Cb 0.16 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3hae s PHE 64 CO 0.21 0.35 0.19 -1.54 -0.10 0.00 0.00 175.22 174.33 3hae s SER 65 N -0.01 -0.16 0.22 1.36 1.04 -0.46 -4.98 113.70 110.72 3hae s SER 65 Ca 0.08 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.83 3hae s SER 65 Cb -0.12 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3hae s SER 65 CO 0.00 -0.14 0.32 -0.83 0.98 0.00 0.00 173.24 173.57 3hae s GLY 66 N -0.22 1.34 0.14 7.32 0.00 -1.26 -0.58 107.32 114.06 3hae s GLY 66 Ca -0.03 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.22 3hae s GLY 66 CO 0.01 -1.24 1.02 -1.35 0.00 0.00 0.00 173.10 171.54 3hae s SER 67 N -3.81 -0.12 -0.18 1.64 1.04 -0.81 -4.47 113.70 107.00 3hae s SER 67 Ca 0.34 -0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 3hae s SER 67 Cb -0.09 0.45 0.12 0.00 0.10 0.00 0.00 66.02 66.59 3hae s SER 67 CO 0.28 -0.84 0.97 -0.75 0.98 0.00 0.00 173.24 173.88 3hae s LYS 68 N -2.90 0.63 -0.30 4.02 2.20 -1.26 -0.08 119.74 122.04 3hae s LYS 68 Ca 0.15 0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3hae s LYS 68 Cb -0.01 0.30 0.19 0.00 -1.51 0.00 0.00 37.83 36.80 3hae s LYS 68 CO 0.02 -0.17 0.59 0.45 -0.36 0.00 0.00 175.35 175.88 3hae s SER 69 N -0.80 -1.35 1.94 1.43 0.15 -0.06 -4.99 113.70 110.04 3hae s SER 69 Ca -0.02 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3hae s SER 69 Cb -0.01 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.43 3hae s SER 69 CO 0.01 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3hae n GLY 70 N 5.43 3.52 0.98 9.45 0.00 -1.26 -2.49 105.19 120.83 3hae n GLY 70 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hae n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hae n ASN 71 N 5.51 2.91 -4.55 1.61 5.03 -1.26 -4.30 115.26 120.21 3hae n ASN 71 Ca 0.00 -1.93 -0.34 0.00 0.87 0.00 0.00 54.58 53.19 3hae n ASN 71 Cb 0.00 -0.25 -0.12 0.00 -1.02 0.00 0.00 39.78 38.39 3hae n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 72 N -1.50 3.79 0.12 3.41 2.01 -1.04 -0.23 115.64 122.21 3hae s THR 72 Ca 0.37 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3hae s THR 72 Cb 0.21 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3hae s THR 72 CO 0.29 0.56 0.01 0.00 -0.69 0.00 0.00 174.62 174.79 3hae s ALA 73 N -0.32 3.30 0.06 7.40 0.00 0.64 -0.88 121.76 131.97 3hae s ALA 73 Ca 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3hae s ALA 73 Cb -0.12 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3hae s ALA 73 CO 0.02 0.63 -0.06 -1.12 0.00 0.00 0.00 175.76 175.23 3hae s SER 74 N -2.53 0.86 -0.19 0.00 0.01 0.89 -0.13 113.70 112.61 3hae s SER 74 Ca 0.27 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.76 3hae s SER 74 Cb -0.11 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.24 3hae s SER 74 CO 0.19 -0.36 -0.11 -0.22 0.41 0.00 0.00 173.24 173.15 3hae s LEU 75 N -2.28 2.13 -0.15 2.44 2.96 -0.84 -1.93 118.68 121.00 3hae s LEU 75 Ca -0.00 -0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 3hae s LEU 75 Cb -0.02 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 3hae s LEU 75 CO -0.03 -0.12 0.26 -0.89 -1.32 0.00 0.00 176.35 174.24 3hae s THR 76 N 1.42 5.32 -0.25 3.68 2.01 0.26 -1.40 115.64 126.68 3hae s THR 76 Ca 0.00 0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 3hae s THR 76 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3hae s THR 76 CO -0.09 0.43 0.09 -0.63 -0.69 0.00 0.00 174.62 173.73 3hae s ILE 77 N 0.19 4.49 0.17 1.82 1.01 0.30 -1.35 121.20 127.83 3hae s ILE 77 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.79 3hae s ILE 77 Cb -0.13 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3hae s ILE 77 CO 0.04 0.33 -0.15 -0.94 0.00 0.00 0.00 174.94 174.22 3hae s SER 78 N 1.56 3.97 -1.26 3.58 1.04 -0.24 -0.61 113.70 121.74 3hae s SER 78 Ca 0.06 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 3hae s SER 78 Cb -0.15 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 3hae s SER 78 CO 0.05 0.13 0.75 0.61 0.98 0.00 0.00 173.24 175.76 3hae n GLY 79 N 0.28 -0.42 3.41 7.32 0.00 -1.05 -4.70 105.19 110.03 3hae n GLY 79 Ca -0.12 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hae n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hae n LEU 80 N -4.17 -0.79 -4.10 0.99 7.94 -0.89 -4.53 117.00 111.45 3hae n LEU 80 Ca -0.27 0.91 -0.10 0.00 -1.11 0.00 0.00 56.01 55.44 3hae n LEU 80 Cb 0.67 -1.05 -0.11 0.00 0.53 0.00 0.00 43.42 43.47 3hae n LEU 80 CO 0.67 -3.18 -0.38 -1.10 -1.11 0.00 0.00 177.39 172.29 3hae s GLN 81 N -1.38 0.64 0.21 1.96 -0.21 -1.26 -2.26 119.66 117.35 3hae s GLN 81 Ca 0.62 -1.06 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 3hae s GLN 81 Cb -0.64 -0.11 0.21 0.00 1.00 0.00 0.00 33.01 33.47 3hae s GLN 81 CO 0.59 -0.02 1.59 0.00 -2.12 0.00 0.00 175.29 175.34 3hae h ALA 82 N 3.64 0.22 0.00 6.09 0.00 -1.99 0.10 119.26 127.32 3hae h ALA 82 Ca -0.35 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hae h ALA 82 Cb 1.18 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3hae h ALA 82 CO 0.55 -0.55 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 3hae n GLU 83 N -5.46 0.80 -0.00 0.00 0.00 -1.26 -1.40 120.64 113.32 3hae n GLU 83 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.25 3hae n GLU 83 Cb 0.37 -1.28 -0.03 0.00 0.00 0.00 0.00 31.44 30.50 3hae n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hae n ASP 84 N 0.30 1.24 -4.64 -1.84 8.00 0.35 -4.95 116.55 115.02 3hae n ASP 84 Ca 0.00 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.64 3hae n ASP 84 Cb 0.28 1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 42.41 3hae n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hae s GLU 85 N -1.68 3.78 -0.04 -1.24 2.02 -0.50 -4.85 118.70 116.19 3hae s GLU 85 Ca 0.01 2.17 -0.20 0.00 0.02 0.00 0.00 54.97 56.97 3hae s GLU 85 Cb 0.03 -4.17 0.07 0.00 0.10 0.00 0.00 34.13 30.16 3hae s GLU 85 CO 0.19 -1.35 0.91 0.00 0.02 0.00 0.00 175.26 175.03 3hae n ALA 86 N 8.87 -2.60 -2.82 5.21 0.00 -0.83 -4.95 120.51 123.40 3hae n ALA 86 Ca 0.22 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 3hae n ALA 86 Cb 0.43 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3hae n ALA 86 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hae s HIS 87 N -2.20 3.58 -0.02 0.00 3.76 -0.46 -1.10 115.29 118.86 3hae s HIS 87 Ca 0.22 0.52 0.07 0.00 -0.15 0.00 0.00 55.06 55.71 3hae s HIS 87 Cb -0.00 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 3hae s HIS 87 CO -0.01 0.65 -0.22 0.71 -0.85 0.00 0.00 174.74 175.02 3hae s TYR 88 N -1.24 2.03 -0.11 1.40 2.02 -0.75 -0.85 117.35 119.85 3hae s TYR 88 Ca 0.25 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 3hae s TYR 88 Cb -0.13 -1.32 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 3hae s TYR 88 CO 0.14 -0.07 -0.21 0.71 -1.57 0.00 0.00 175.55 174.56 3hae s TYR 89 N -0.43 2.42 0.49 2.71 2.02 0.11 -0.70 117.35 123.97 3hae s TYR 89 Ca 0.06 -1.10 -0.07 0.00 -0.37 0.00 0.00 57.07 55.59 3hae s TYR 89 Cb -0.09 -1.65 0.11 0.00 -0.40 0.00 0.00 41.96 39.92 3hae s TYR 89 CO -0.00 -0.49 0.67 0.00 -1.57 0.00 0.00 175.55 174.15 3hae n TRP 91 N -2.77 0.00 -3.95 0.00 -0.00 -1.02 -0.67 117.44 109.03 3hae n TRP 91 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.49 3hae n TRP 91 Cb 0.31 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.52 3hae n TRP 91 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3hae s SER 92 N 0.00 0.19 0.52 5.87 0.15 0.06 -1.46 113.70 119.03 3hae s SER 92 Ca 0.00 -0.48 -0.20 0.00 0.70 0.00 0.00 55.95 55.97 3hae s SER 92 Cb 0.00 0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 3hae s SER 92 CO 0.00 -0.40 1.13 0.12 1.20 0.00 0.00 173.24 175.29 3hae s PHE 93 N -1.98 2.73 0.00 3.44 5.36 -0.94 -2.34 117.98 124.25 3hae s PHE 93 Ca -0.11 1.54 0.23 0.00 -0.96 0.00 0.00 56.93 57.63 3hae s PHE 93 Cb -0.05 -3.30 0.37 0.00 -0.34 0.00 0.00 43.02 39.70 3hae s PHE 93 CO -0.02 -1.52 1.15 0.00 -1.46 0.00 0.00 175.22 173.37 3hae n ALA 94 N -1.11 2.40 0.00 11.12 0.00 -0.60 -4.29 120.51 128.03 3hae n ALA 94 Ca 0.11 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.39 3hae n ALA 94 Cb 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3hae n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hae n GLY 95 N 0.43 1.86 0.04 0.00 0.00 -1.26 -4.14 105.19 102.11 3hae n GLY 95 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3hae n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hae n SER 96 N 3.23 1.24 -3.73 1.61 3.41 -1.26 -5.06 113.62 113.06 3hae n SER 96 Ca 0.00 -1.20 -0.04 0.00 -0.26 0.00 0.00 58.87 57.37 3hae n SER 96 Cb 0.00 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3hae n SER 96 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3hae s TYR 97 N -0.23 -0.16 0.08 7.33 -0.85 -1.26 -5.15 117.35 117.11 3hae s TYR 97 Ca 0.01 -0.13 0.04 0.00 -0.52 0.00 0.00 57.07 56.47 3hae s TYR 97 Cb 0.01 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 3hae s TYR 97 CO 0.01 -0.83 0.02 0.71 -1.52 0.00 0.00 175.55 173.94 3hae s TYR 98 N -3.32 3.06 -0.14 -3.49 2.02 -1.26 -1.56 117.35 112.64 3hae s TYR 98 Ca 0.11 0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.77 3hae s TYR 98 Cb -0.02 -1.57 0.07 0.00 -0.40 0.00 0.00 41.96 40.04 3hae s TYR 98 CO 0.01 0.49 0.30 0.54 -1.57 0.00 0.00 175.55 175.32 3hae s VAL 99 N -1.33 -0.46 0.67 0.71 0.11 -0.99 -4.99 120.40 114.13 3hae s VAL 99 Ca 0.27 0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.46 3hae s VAL 99 Cb -0.12 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3hae s VAL 99 CO 0.19 0.11 1.05 -0.36 -3.33 0.00 0.00 175.10 172.76 3hae s PHE 100 N 2.45 3.17 0.65 1.54 0.08 -1.26 -0.76 117.98 123.85 3hae s PHE 100 Ca 0.00 1.42 -0.01 0.00 0.12 0.00 0.00 56.93 58.46 3hae s PHE 100 Cb -0.12 -2.87 0.08 0.00 -0.57 0.00 0.00 43.02 39.54 3hae s PHE 100 CO -0.09 -1.14 0.91 0.20 -0.10 0.00 0.00 175.22 175.00 3hae s GLY 101 N -3.72 1.78 0.00 4.36 0.00 0.16 -4.28 107.32 105.61 3hae s GLY 101 Ca 0.58 -1.46 0.29 0.00 0.00 0.00 0.00 44.72 44.13 3hae s GLY 101 CO 0.53 -1.02 1.86 -1.30 0.00 0.00 0.00 173.10 173.16 3hae n THR 102 N -2.66 0.00 0.00 0.90 -2.24 -1.26 -4.74 114.28 104.28 3hae n THR 102 Ca 0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3hae n THR 102 Cb 0.60 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3hae n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hae n GLY 103 N 1.44 -0.87 3.40 3.38 0.00 -1.26 -4.95 105.19 106.33 3hae n GLY 103 Ca 0.09 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 3hae n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s THR 104 N -2.78 2.21 -0.40 2.61 2.01 0.12 -4.67 115.64 114.74 3hae s THR 104 Ca 0.00 -2.03 -0.04 0.00 0.31 0.00 0.00 61.69 59.92 3hae s THR 104 Cb 0.00 -2.06 0.10 0.00 0.01 0.00 0.00 72.50 70.55 3hae s THR 104 CO 0.00 -0.20 0.20 -0.62 -0.69 0.00 0.00 174.62 173.31 3hae s ASP 105 N -2.75 5.30 -0.05 3.53 2.15 -0.88 -1.81 116.67 122.16 3hae s ASP 105 Ca 0.20 -1.86 -0.21 0.00 0.43 0.00 0.00 52.55 51.11 3hae s ASP 105 Cb -0.07 -1.85 -0.05 0.00 -0.30 0.00 0.00 42.92 40.65 3hae s ASP 105 CO 0.09 -0.52 0.60 -0.69 -0.17 0.00 0.00 175.17 174.48 3hae s VAL 106 N 1.21 5.01 0.23 1.11 1.01 -0.26 -2.41 120.40 126.31 3hae s VAL 106 Ca 0.06 1.24 0.11 0.00 0.00 0.00 0.00 61.98 63.38 3hae s VAL 106 Cb -0.23 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3hae s VAL 106 CO -0.03 0.35 -0.20 -0.89 0.00 0.00 0.00 175.10 174.33 3hae s THR 107 N 0.30 2.21 -0.23 3.92 2.01 -1.13 -1.96 115.64 120.76 3hae s THR 107 Ca 0.32 -2.22 0.02 0.00 0.31 0.00 0.00 61.69 60.12 3hae s THR 107 Cb -0.17 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.24 3hae s THR 107 CO 0.16 -0.36 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.91 3hae s VAL 108 N -2.35 2.00 1.05 3.82 1.01 -1.26 -3.11 120.40 121.57 3hae s VAL 108 Ca 0.24 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 3hae s VAL 108 Cb -0.05 -2.06 0.22 0.00 0.00 0.00 0.00 36.38 34.49 3hae s VAL 108 CO 0.11 0.11 1.08 -0.76 0.00 0.00 0.00 175.10 175.64 3hae s LEU 109 N 1.21 1.70 -1.20 3.92 1.43 -0.16 -4.16 118.68 121.43 3hae s LEU 109 Ca -0.05 1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 54.57 3hae s LEU 109 Cb -0.18 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3hae s LEU 109 CO -0.07 -3.70 0.70 0.61 0.23 0.00 0.00 176.35 174.12 3hae n GLY 110 N 0.47 -0.86 3.89 -3.19 0.00 -1.26 -4.71 105.19 99.54 3hae n GLY 110 Ca 0.07 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 3hae n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hae s GLN 111 N -6.83 3.66 0.36 1.61 -0.21 -1.26 -5.04 119.66 111.95 3hae s GLN 111 Ca 0.46 0.30 -0.27 0.00 0.02 0.00 0.00 55.36 55.86 3hae s GLN 111 Cb -0.22 -2.41 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 3hae s GLN 111 CO 0.93 -0.08 1.24 -2.14 -2.12 0.00 0.00 175.29 173.12 3hae s PRO 112 N -4.22 4.20 0.43 2.91 0.02 -1.26 -4.97 135.00 132.11 3hae s PRO 112 Ca 0.49 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 63.29 3hae s PRO 112 Cb -0.10 -2.89 -0.09 0.00 0.02 0.00 0.00 34.50 31.43 3hae s PRO 112 CO 0.37 -0.26 1.45 0.21 -0.33 0.00 0.00 177.00 178.44 3hae s LYS 113 N -2.01 3.81 -0.07 5.54 2.36 -1.26 -4.84 119.74 123.27 3hae s LYS 113 Ca 0.53 2.47 -0.01 0.00 -2.55 0.00 0.00 55.97 56.41 3hae s LYS 113 Cb -0.36 -2.75 0.03 0.00 -1.05 0.00 0.00 37.83 33.70 3hae s LYS 113 CO 0.46 -0.73 -0.02 0.00 1.55 0.00 0.00 175.35 176.61 3hae s ALA 114 N -1.18 0.75 0.34 3.13 0.00 0.88 -4.92 121.76 120.76 3hae s ALA 114 Ca 0.58 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 3hae s ALA 114 Cb -0.45 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 21.92 3hae s ALA 114 CO 0.58 -0.32 1.00 -0.80 0.00 0.00 0.00 175.76 176.23 3hae s ASN 115 N 1.63 7.14 0.25 0.00 0.01 -1.26 -1.10 114.94 121.60 3hae s ASN 115 Ca 0.00 1.97 -0.30 0.00 -0.71 0.00 0.00 52.86 53.83 3hae s ASN 115 Cb -0.13 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.85 3hae s ASN 115 CO -0.04 -0.22 1.06 -2.16 -1.51 0.00 0.00 177.10 174.23 3hae s PRO 116 N -2.09 4.68 -0.23 -0.60 0.04 -1.26 -4.56 135.00 130.98 3hae s PRO 116 Ca 0.52 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.18 3hae s PRO 116 Cb -0.22 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 3hae s PRO 116 CO 0.28 0.26 0.13 0.95 0.04 0.00 0.00 177.00 178.66 3hae s THR 117 N -1.01 5.15 -0.15 1.26 -4.23 -0.36 -4.93 115.64 111.36 3hae s THR 117 Ca 0.44 0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 61.05 3hae s THR 117 Cb -0.30 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3hae s THR 117 CO 0.38 0.37 -0.13 -0.69 -0.54 0.00 0.00 174.62 174.00 3hae s VAL 118 N 0.97 2.91 0.07 2.29 1.01 -1.26 -0.97 120.40 125.43 3hae s VAL 118 Ca 0.06 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3hae s VAL 118 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3hae s VAL 118 CO 0.03 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 3hae s THR 119 N 0.63 2.81 -0.02 3.92 2.01 -0.15 -4.99 115.64 119.85 3hae s THR 119 Ca -0.07 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.60 3hae s THR 119 Cb -0.16 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.15 3hae s THR 119 CO 0.03 0.23 0.00 -0.22 -0.69 0.00 0.00 174.62 173.97 3hae s LEU 120 N -1.75 1.30 0.05 4.42 2.96 -1.26 0.38 118.68 124.77 3hae s LEU 120 Ca 0.16 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3hae s LEU 120 Cb -0.11 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 3hae s LEU 120 CO 0.07 -0.08 0.05 -0.36 -1.32 0.00 0.00 176.35 174.72 3hae s PHE 121 N 0.84 3.16 0.96 5.38 0.08 -0.23 -4.98 117.98 123.19 3hae s PHE 121 Ca -0.08 0.09 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 3hae s PHE 121 Cb -0.11 -1.65 0.18 0.00 -0.57 0.00 0.00 43.02 40.87 3hae s PHE 121 CO -0.02 0.51 1.22 -1.25 -0.10 0.00 0.00 175.22 175.59 3hae s PRO 122 N -2.07 0.71 0.45 0.24 0.04 -1.26 -1.91 135.00 131.20 3hae s PRO 122 Ca 0.25 -0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.94 3hae s PRO 122 Cb -0.12 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 3hae s PRO 122 CO 0.17 -2.41 1.39 -2.14 0.04 0.00 0.00 177.00 174.05 3hae s PRO 123 N -5.62 3.72 0.26 0.56 0.02 -1.19 -4.76 135.00 127.99 3hae s PRO 123 Ca 0.69 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.73 3hae s PRO 123 Cb -0.09 -2.65 -0.11 0.00 0.02 0.00 0.00 34.50 31.68 3hae s PRO 123 CO 0.53 -0.75 1.55 0.45 -0.33 0.00 0.00 177.00 178.45 3hae s SER 124 N -0.61 6.49 0.21 2.53 0.15 -1.26 -4.90 113.70 116.30 3hae s SER 124 Ca 0.61 2.81 -0.07 0.00 0.70 0.00 0.00 55.95 60.00 3hae s SER 124 Cb -0.42 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 61.60 3hae s SER 124 CO 0.53 -0.84 1.20 -1.20 1.20 0.00 0.00 173.24 174.14 3hae n SER 125 N 2.59 -0.32 0.21 5.45 7.64 -1.26 -0.38 113.62 127.55 3hae n SER 125 Ca 0.09 1.33 0.04 0.00 1.01 0.00 0.00 58.87 61.35 3hae n SER 125 Cb 0.38 -0.39 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 3hae n SER 125 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hae h GLU 126 N 0.00 0.01 0.01 1.43 4.81 -1.98 -1.33 114.58 117.53 3hae h GLU 126 Ca 0.35 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3hae h GLU 126 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3hae h GLU 126 CO -0.79 0.25 -0.00 1.49 -0.73 0.00 0.00 179.01 179.22 3hae h GLU 127 N 0.01 -0.01 -0.48 1.92 4.81 -1.02 -2.69 114.58 117.12 3hae h GLU 127 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 3hae h GLU 127 Cb 0.42 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3hae h GLU 127 CO 0.03 0.64 0.53 -0.07 -0.73 0.00 0.00 179.01 179.41 3hae h LEU 128 N -0.67 0.00 0.00 1.64 3.38 -1.21 0.33 115.31 118.78 3hae h LEU 128 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hae h LEU 128 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hae h LEU 128 CO 0.00 0.00 -0.65 -0.61 0.09 0.00 0.00 178.44 177.27 3hae h GLN 129 N 0.00 0.00 -1.00 1.13 4.15 -1.14 -3.27 115.11 114.99 3hae h GLN 129 Ca 0.23 0.00 -0.44 0.00 0.77 0.00 0.00 58.65 59.20 3hae h GLN 129 Cb 1.29 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.71 3hae h GLN 129 CO -0.00 0.33 0.56 0.00 -1.93 0.00 0.00 178.83 177.79 3hae n ALA 130 N -2.23 5.17 -2.27 3.38 0.00 0.11 -4.93 120.51 119.74 3hae n ALA 130 Ca -0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 53.44 50.88 3hae n ALA 130 Cb 0.70 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 3hae n ALA 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hae n ASN 131 N -0.91 -2.54 -4.34 0.00 3.02 -1.13 -4.95 115.26 104.40 3hae n ASN 131 Ca 0.51 0.30 -0.18 0.00 -0.03 0.00 0.00 54.58 55.19 3hae n ASN 131 Cb 1.51 -2.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.30 3hae n ASN 131 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hae s LYS 132 N -4.64 1.44 -0.30 3.52 -0.14 -1.09 -4.56 119.74 113.98 3hae s LYS 132 Ca 0.00 -1.77 -0.12 0.00 -1.36 0.00 0.00 55.97 52.72 3hae s LYS 132 Cb 0.00 -0.44 0.14 0.00 -1.68 0.00 0.00 37.83 35.84 3hae s LYS 132 CO 0.00 -0.24 0.76 0.00 -0.76 0.00 0.00 175.35 175.11 3hae s ALA 133 N -3.60 -2.23 -0.11 5.17 0.00 -0.99 -2.77 121.76 117.23 3hae s ALA 133 Ca 0.36 2.27 0.02 0.00 0.00 0.00 0.00 51.96 54.60 3hae s ALA 133 Cb 0.08 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.38 3hae s ALA 133 CO 0.13 -0.88 -0.15 0.99 0.00 0.00 0.00 175.76 175.85 3hae s THR 134 N 2.63 1.50 -0.17 0.00 2.01 -1.26 0.55 115.64 120.90 3hae s THR 134 Ca -0.05 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 3hae s THR 134 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3hae s THR 134 CO -0.19 0.44 0.64 -0.76 -0.69 0.00 0.00 174.62 174.06 3hae s LEU 135 N 1.03 4.19 -0.29 4.42 1.02 0.99 -3.15 118.68 126.88 3hae s LEU 135 Ca -0.06 0.90 -0.08 0.00 0.02 0.00 0.00 54.13 54.92 3hae s LEU 135 Cb -0.15 -2.92 -0.00 0.00 0.02 0.00 0.00 46.19 43.14 3hae s LEU 135 CO -0.02 -0.23 0.10 -0.69 0.02 0.00 0.00 176.35 175.53 3hae s VAL 136 N 1.62 4.21 -0.25 -1.59 1.01 -0.80 -0.20 120.40 124.40 3hae s VAL 136 Ca 0.30 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3hae s VAL 136 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3hae s VAL 136 CO 0.12 0.13 0.08 0.00 0.00 0.00 0.00 175.10 175.43 3hae s LEU 138 N 1.51 3.56 -0.16 0.00 1.43 0.16 -0.88 118.68 124.29 3hae s LEU 138 Ca 0.06 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.20 3hae s LEU 138 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hae s LEU 138 CO 0.04 -0.18 0.00 -0.63 0.23 0.00 0.00 176.35 175.82 3hae s ILE 139 N 1.37 4.26 0.35 -0.59 1.09 -0.05 -0.98 121.20 126.65 3hae s ILE 139 Ca -0.00 -0.23 -0.00 0.00 -1.10 0.00 0.00 60.65 59.32 3hae s ILE 139 Cb -0.17 -2.89 -0.00 0.00 -1.06 0.00 0.00 42.46 38.34 3hae s ILE 139 CO -0.02 0.49 0.46 -0.94 -0.10 0.00 0.00 174.94 174.83 3hae s SER 140 N 0.30 1.13 -1.39 3.58 1.04 -0.14 -0.41 113.70 117.80 3hae s SER 140 Ca -0.01 -1.57 -0.09 0.00 0.48 0.00 0.00 55.95 54.77 3hae s SER 140 Cb -0.13 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.71 3hae s SER 140 CO 0.02 -1.29 0.60 0.47 0.98 0.00 0.00 173.24 174.02 3hae n ASP 141 N -1.53 -4.52 -4.58 7.02 9.92 -0.48 -1.23 116.55 121.15 3hae n ASP 141 Ca 0.02 -0.42 -0.34 0.00 -0.53 0.00 0.00 54.79 53.52 3hae n ASP 141 Cb 0.61 -3.69 -0.11 0.00 -0.64 0.00 0.00 41.12 37.30 3hae n ASP 141 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3hae s PHE 142 N -3.05 2.97 -0.00 1.24 -0.71 -0.99 -4.43 117.98 113.00 3hae s PHE 142 Ca 0.42 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 3hae s PHE 142 Cb -0.21 -1.74 0.00 0.00 -1.21 0.00 0.00 43.02 39.86 3hae s PHE 142 CO 0.51 0.31 -0.00 -0.47 -1.34 0.00 0.00 175.22 174.23 3hae s TYR 143 N -0.70 0.07 0.97 3.49 5.04 -0.26 -1.40 117.35 124.56 3hae s TYR 143 Ca 0.11 0.00 -0.16 0.00 -2.44 0.00 0.00 57.07 54.58 3hae s TYR 143 Cb -0.11 -0.07 0.24 0.00 0.35 0.00 0.00 41.96 42.36 3hae s TYR 143 CO 0.02 -0.02 0.99 -0.35 -1.34 0.00 0.00 175.55 174.85 3hae n PRO 144 N 3.23 -2.27 -0.59 4.97 -0.04 -1.26 -0.09 135.00 138.95 3hae n PRO 144 Ca -0.14 -1.56 -0.05 0.00 -0.04 0.00 0.00 63.50 61.70 3hae n PRO 144 Cb 0.58 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 3hae n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hae n GLY 145 N -3.25 2.94 3.05 0.55 0.00 -1.26 -4.84 105.19 102.39 3hae n GLY 145 Ca 0.13 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3hae n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae s ALA 146 N -0.55 1.17 -0.09 4.61 0.00 -1.26 -4.77 121.76 120.88 3hae s ALA 146 Ca 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3hae s ALA 146 Cb 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3hae s ALA 146 CO -0.00 0.19 0.32 0.14 0.00 0.00 0.00 175.76 176.40 3hae s VAL 147 N 0.22 0.02 -0.08 0.00 -7.23 -1.26 -4.57 120.40 107.50 3hae s VAL 147 Ca -0.05 -0.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 3hae s VAL 147 Cb -0.11 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 3hae s VAL 147 CO 0.02 -0.08 -0.08 0.42 -0.31 0.00 0.00 175.10 175.06 3hae s THR 148 N -0.28 3.60 -0.29 5.32 -4.23 -0.85 -4.96 115.64 113.94 3hae s THR 148 Ca -0.04 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 3hae s THR 148 Cb -0.03 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.39 3hae s THR 148 CO 0.02 0.58 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.95 3hae s VAL 149 N -0.61 2.65 -0.23 2.29 1.01 -1.26 -0.43 120.40 123.82 3hae s VAL 149 Ca 0.09 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 3hae s VAL 149 Cb -0.12 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3hae s VAL 149 CO 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 175.10 175.05 3hae s ALA 150 N 1.18 3.07 0.28 5.51 0.00 0.89 -4.96 121.76 127.73 3hae s ALA 150 Ca -0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 3hae s ALA 150 Cb -0.20 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 3hae s ALA 150 CO -0.03 -0.35 0.64 -1.58 0.00 0.00 0.00 175.76 174.45 3hae s TRP 151 N 1.35 3.40 -0.04 0.00 0.52 -1.26 -0.46 118.94 122.46 3hae s TRP 151 Ca 0.05 1.04 -0.01 0.00 0.02 0.00 0.00 56.10 57.19 3hae s TRP 151 Cb -0.15 -2.39 0.03 0.00 -1.15 0.00 0.00 33.47 29.81 3hae s TRP 151 CO 0.02 0.17 0.04 0.15 0.02 0.00 0.00 176.95 177.35 3hae s LYS 152 N -2.93 0.09 -0.13 4.98 1.02 0.51 -2.75 119.74 120.52 3hae s LYS 152 Ca 0.51 0.27 -0.03 0.00 0.02 0.00 0.00 55.97 56.74 3hae s LYS 152 Cb -0.11 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 3hae s LYS 152 CO 0.20 -0.28 -0.04 0.00 -0.92 0.00 0.00 175.35 174.31 3hae s ALA 153 N 1.83 3.02 0.00 5.17 0.00 -0.32 0.37 121.76 131.83 3hae s ALA 153 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3hae s ALA 153 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3hae s ALA 153 CO -0.03 0.31 0.00 -0.25 0.00 0.00 0.00 175.76 175.79 3hae n ASP 154 N 3.19 0.00 0.00 0.00 8.00 -0.08 -2.11 116.55 125.56 3hae n ASP 154 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3hae n ASP 154 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3hae n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hae n GLY 155 N 0.00 0.00 3.81 0.44 0.00 -1.26 -4.88 105.19 103.29 3hae n GLY 155 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hae n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hae s SER 156 N -0.03 5.82 0.41 1.61 0.01 -0.90 -4.99 113.70 115.63 3hae s SER 156 Ca 0.00 1.80 -0.22 0.00 1.31 0.00 0.00 55.95 58.84 3hae s SER 156 Cb 0.00 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 3hae s SER 156 CO 0.00 -1.14 0.97 -2.84 0.41 0.00 0.00 173.24 170.63 3hae s PRO 157 N -4.11 4.25 -0.28 12.44 0.02 -1.26 -1.18 135.00 144.89 3hae s PRO 157 Ca 0.63 1.22 0.03 0.00 0.02 0.00 0.00 61.00 62.90 3hae s PRO 157 Cb -0.16 -2.32 0.07 0.00 0.02 0.00 0.00 34.50 32.12 3hae s PRO 157 CO 0.37 -0.02 -0.06 0.54 -0.33 0.00 0.00 177.00 177.50 3hae s VAL 158 N -2.01 2.08 -0.28 3.83 0.11 -1.11 -4.81 120.40 118.21 3hae s VAL 158 Ca 0.60 -1.74 0.21 0.00 -2.93 0.00 0.00 61.98 58.11 3hae s VAL 158 Cb -0.13 -2.30 0.24 0.00 -1.53 0.00 0.00 36.38 32.67 3hae s VAL 158 CO 0.17 -0.19 1.59 0.11 -3.33 0.00 0.00 175.10 173.45 3hae h LYS 159 N 7.76 0.00 -5.44 1.54 1.57 -1.97 -3.41 116.57 116.62 3hae h LYS 159 Ca -0.15 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.99 3hae h LYS 159 Cb 1.04 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.20 3hae h LYS 159 CO 0.47 0.19 -0.56 0.00 -0.57 0.00 0.00 179.45 178.98 3hae s ALA 160 N -3.17 3.45 0.00 3.86 0.00 -1.26 -4.23 121.76 120.41 3hae s ALA 160 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3hae s ALA 160 Cb 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3hae s ALA 160 CO 0.69 0.31 0.00 0.41 0.00 0.00 0.00 175.76 177.17 3hae n GLY 161 N 3.08 0.82 3.49 0.00 0.00 -1.26 -4.80 105.19 106.53 3hae n GLY 161 Ca -0.17 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3hae n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 162 N -2.00 4.82 -0.15 1.61 1.01 -1.26 -0.63 120.40 123.79 3hae s VAL 162 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3hae s VAL 162 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3hae s VAL 162 CO 0.00 0.17 -0.03 -1.61 0.00 0.00 0.00 175.10 173.63 3hae s GLU 163 N 1.67 1.20 0.21 2.72 0.41 -0.89 -5.01 118.70 119.01 3hae s GLU 163 Ca 0.06 -0.40 0.08 0.00 -0.41 0.00 0.00 54.97 54.30 3hae s GLU 163 Cb -0.16 -1.85 -0.04 0.00 -1.78 0.00 0.00 34.13 30.29 3hae s GLU 163 CO 0.07 -0.44 0.02 0.99 -0.49 0.00 0.00 175.26 175.41 3hae s THR 164 N 1.72 3.71 0.64 3.63 2.01 -1.26 -1.08 115.64 125.01 3hae s THR 164 Ca 0.01 -1.55 -0.03 0.00 0.31 0.00 0.00 61.69 60.43 3hae s THR 164 Cb -0.15 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.50 3hae s THR 164 CO -0.07 -0.20 0.91 0.42 -0.69 0.00 0.00 174.62 174.99 3hae s THR 165 N -1.93 2.43 0.61 -0.82 -4.23 -0.13 -4.98 115.64 106.59 3hae s THR 165 Ca 0.29 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.18 3hae s THR 165 Cb -0.08 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 3hae s THR 165 CO 0.19 0.00 1.08 -0.54 -0.54 0.00 0.00 174.62 174.81 3hae s LYS 166 N -5.04 3.16 0.15 3.99 3.01 -1.26 -4.83 119.74 118.92 3hae s LYS 166 Ca 0.60 1.28 -0.30 0.00 -1.01 0.00 0.00 55.97 56.54 3hae s LYS 166 Cb -0.10 -2.01 -0.07 0.00 -1.01 0.00 0.00 37.83 34.64 3hae s LYS 166 CO 0.42 -0.95 0.94 -2.14 0.51 0.00 0.00 175.35 174.13 3hae s PRO 167 N -4.03 4.73 0.01 -1.68 0.02 -1.26 -4.75 135.00 128.04 3hae s PRO 167 Ca 0.65 1.43 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 3hae s PRO 167 Cb -0.18 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 3hae s PRO 167 CO 0.38 0.33 0.23 -1.12 -0.33 0.00 0.00 177.00 176.48 3hae s SER 168 N -0.43 6.43 -0.07 2.53 0.01 -0.40 -4.89 113.70 116.88 3hae s SER 168 Ca 0.44 0.45 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 3hae s SER 168 Cb -0.24 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 3hae s SER 168 CO 0.30 0.25 1.71 -0.75 0.41 0.00 0.00 173.24 175.16 3hae s LYS 169 N -1.91 4.07 0.84 12.44 2.20 -1.26 -1.19 119.74 134.93 3hae s LYS 169 Ca 0.28 2.16 -0.12 0.00 -0.36 0.00 0.00 55.97 57.93 3hae s LYS 169 Cb -0.13 -4.03 0.09 0.00 -1.51 0.00 0.00 37.83 32.25 3hae s LYS 169 CO 0.18 -0.98 1.11 -0.65 -0.36 0.00 0.00 175.35 174.65 3hae s GLN 170 N 4.29 1.74 0.41 4.03 -0.21 0.24 -4.89 119.66 125.26 3hae s GLN 170 Ca 0.76 0.55 0.29 0.00 0.02 0.00 0.00 55.36 56.98 3hae s GLN 170 Cb -0.33 -1.89 1.43 0.00 1.00 0.00 0.00 33.01 33.22 3hae s GLN 170 CO 0.31 -1.84 1.87 0.66 -2.12 0.00 0.00 175.29 174.17 3hae h SER 171 N -1.25 0.00 -0.11 5.90 4.64 -1.91 0.45 113.55 121.27 3hae h SER 171 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hae h SER 171 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3hae h SER 171 CO 0.60 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 3hae n ASN 172 N -2.54 0.91 0.00 4.97 6.94 -1.26 -4.89 115.26 119.39 3hae n ASN 172 Ca -0.01 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.87 3hae n ASN 172 Cb 0.13 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 3hae n ASN 172 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hae n ASN 173 N -0.14 -1.73 -1.94 0.53 5.03 0.15 -5.00 115.26 112.16 3hae n ASN 173 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 3hae n ASN 173 Cb 0.19 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 3hae n ASN 173 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hae n LYS 174 N -2.31 0.73 -4.32 3.52 5.02 -1.26 -4.85 118.16 114.69 3hae n LYS 174 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3hae n LYS 174 Cb 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.94 3hae n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hae s TYR 175 N 0.32 1.60 -0.04 2.13 1.51 -0.50 0.81 117.35 123.18 3hae s TYR 175 Ca 0.00 -0.62 -0.14 0.00 -1.01 0.00 0.00 57.07 55.30 3hae s TYR 175 Cb 0.00 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.11 3hae s TYR 175 CO 0.00 0.29 0.31 0.00 -1.11 0.00 0.00 175.55 175.04 3hae s ALA 176 N -3.07 -0.78 0.20 3.71 0.00 -0.33 -1.39 121.76 120.11 3hae s ALA 176 Ca 0.21 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 3hae s ALA 176 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3hae s ALA 176 CO 0.05 -0.24 0.51 0.00 0.00 0.00 0.00 175.76 176.08 3hae s ALA 177 N -1.03 -0.79 0.04 0.00 0.00 0.45 -1.27 121.76 119.17 3hae s ALA 177 Ca -0.11 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 3hae s ALA 177 Cb -0.05 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.96 3hae s ALA 177 CO 0.03 -0.81 0.24 -1.54 0.00 0.00 0.00 175.76 173.69 3hae s SER 178 N -2.90 -0.03 -0.08 0.00 1.04 -1.26 -0.87 113.70 109.60 3hae s SER 178 Ca 0.11 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3hae s SER 178 Cb -0.01 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3hae s SER 178 CO -0.01 -0.59 -0.17 -0.55 0.98 0.00 0.00 173.24 172.90 3hae s SER 179 N -2.12 2.31 -0.17 7.02 0.15 -0.06 -0.96 113.70 119.87 3hae s SER 179 Ca -0.04 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 3hae s SER 179 Cb -0.01 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 3hae s SER 179 CO -0.04 0.08 -0.02 -0.31 1.20 0.00 0.00 173.24 174.16 3hae s TYR 180 N 0.54 3.06 -0.24 3.44 1.51 -0.24 0.72 117.35 126.13 3hae s TYR 180 Ca -0.16 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 3hae s TYR 180 Cb -0.17 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3hae s TYR 180 CO 0.06 -0.06 0.02 -1.17 -1.11 0.00 0.00 175.55 173.30 3hae s LEU 181 N 0.50 3.25 -0.38 -1.29 2.96 0.72 -2.09 118.68 122.34 3hae s LEU 181 Ca -0.02 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.42 3hae s LEU 181 Cb -0.14 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3hae s LEU 181 CO 0.02 -0.04 0.31 -0.44 -1.32 0.00 0.00 176.35 174.88 3hae s SER 182 N 1.55 6.12 0.51 3.68 0.01 0.20 -0.01 113.70 125.75 3hae s SER 182 Ca 0.06 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.74 3hae s SER 182 Cb -0.15 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3hae s SER 182 CO 0.01 -0.39 0.21 -0.76 0.41 0.00 0.00 173.24 172.72 3hae s LEU 183 N 1.81 2.64 0.31 2.44 1.43 0.19 -4.64 118.68 122.86 3hae s LEU 183 Ca 0.07 -1.36 0.06 0.00 -1.03 0.00 0.00 54.13 51.87 3hae s LEU 183 Cb -0.18 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3hae s LEU 183 CO 0.11 -0.90 0.41 0.42 0.23 0.00 0.00 176.35 176.62 3hae s THR 184 N -2.78 4.32 0.44 5.49 -4.23 -1.26 -2.34 115.64 115.29 3hae s THR 184 Ca 0.25 -1.05 0.20 0.00 -1.18 0.00 0.00 61.69 59.91 3hae s THR 184 Cb 0.00 -3.50 0.40 0.00 1.34 0.00 0.00 72.50 70.75 3hae s THR 184 CO 0.15 -0.21 1.86 -0.65 -0.54 0.00 0.00 174.62 175.23 3hae h PRO 185 N 1.03 0.31 0.63 3.99 0.11 -1.80 -2.77 132.00 133.51 3hae h PRO 185 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3hae h PRO 185 Cb 1.25 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3hae h PRO 185 CO 0.56 0.21 -0.31 0.93 -0.21 0.00 0.00 178.00 179.18 3hae h GLU 186 N 0.32 -0.82 -0.79 1.05 4.39 -1.96 -3.16 114.58 113.60 3hae h GLU 186 Ca 0.46 0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.22 3hae h GLU 186 Cb 1.26 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 30.06 3hae h GLU 186 CO -0.14 -0.55 0.52 1.96 -1.16 0.00 0.00 179.01 179.63 3hae h GLN 187 N -0.86 1.04 -0.88 2.33 4.20 -1.90 -1.97 115.11 117.08 3hae h GLN 187 Ca -0.09 -0.07 0.21 0.00 0.06 0.00 0.00 58.65 58.77 3hae h GLN 187 Cb 0.66 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 3hae h GLN 187 CO 0.14 0.70 0.59 2.35 -0.67 0.00 0.00 178.83 181.94 3hae h TRP 188 N 1.07 0.42 0.00 2.96 -0.00 -1.53 -1.93 115.95 116.94 3hae h TRP 188 Ca 0.29 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.19 3hae h TRP 188 Cb -0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 28.92 3hae h TRP 188 CO -0.02 0.11 -1.82 1.63 -0.00 0.00 0.00 178.44 178.34 3hae n LYS 189 N -4.46 0.55 0.00 2.65 5.02 -0.91 -4.08 118.16 116.93 3hae n LYS 189 Ca 0.19 -0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.38 3hae n LYS 189 Cb 0.74 -1.51 0.40 0.00 -0.02 0.00 0.00 35.03 34.64 3hae n LYS 189 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hae n SER 190 N -2.13 0.00 -4.10 4.39 7.64 -0.73 -4.74 113.62 113.96 3hae n SER 190 Ca -0.03 -0.40 -0.19 0.00 1.01 0.00 0.00 58.87 59.26 3hae n SER 190 Cb 0.52 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.57 3hae n SER 190 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hae s HIS 191 N -2.03 1.03 0.10 1.43 3.76 -1.23 -5.05 115.29 113.31 3hae s HIS 191 Ca 0.20 -0.31 -0.17 0.00 -0.15 0.00 0.00 55.06 54.63 3hae s HIS 191 Cb 0.09 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 3hae s HIS 191 CO 0.16 0.00 1.56 -0.09 -0.85 0.00 0.00 174.74 175.52 3hae h ARG 192 N 5.17 0.54 -2.69 1.40 2.43 -1.90 -3.42 114.38 115.91 3hae h ARG 192 Ca -0.36 -0.16 0.10 0.00 -0.81 0.00 0.00 59.98 58.75 3hae h ARG 192 Cb 1.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3hae h ARG 192 CO 0.45 0.66 0.44 -1.54 -1.51 0.00 0.00 179.97 178.47 3hae s SER 193 N -6.01 -0.04 -0.02 -3.80 1.04 -1.26 -4.30 113.70 99.31 3hae s SER 193 Ca -0.13 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.52 3hae s SER 193 Cb 0.09 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.85 3hae s SER 193 CO 0.76 -1.24 -0.05 -0.31 0.98 0.00 0.00 173.24 173.39 3hae s TYR 194 N -2.51 0.54 -0.06 5.02 1.51 -0.42 -0.90 117.35 120.54 3hae s TYR 194 Ca 0.17 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 3hae s TYR 194 Cb -0.03 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.37 3hae s TYR 194 CO 0.07 -0.07 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.17 3hae s SER 195 N 0.28 3.96 -0.50 2.29 0.01 0.16 -1.70 113.70 118.19 3hae s SER 195 Ca -0.03 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 56.86 3hae s SER 195 Cb -0.07 -0.96 0.11 0.00 0.21 0.00 0.00 66.02 65.31 3hae s SER 195 CO -0.00 0.31 0.42 0.00 0.41 0.00 0.00 173.24 174.38 3hae s GLN 197 N 1.53 4.01 -0.14 0.00 -0.21 0.40 -1.89 119.66 123.36 3hae s GLN 197 Ca 0.04 0.40 -0.00 0.00 0.02 0.00 0.00 55.36 55.81 3hae s GLN 197 Cb -0.27 -3.27 0.03 0.00 1.00 0.00 0.00 33.01 30.50 3hae s GLN 197 CO 0.03 0.57 -0.07 0.08 -2.12 0.00 0.00 175.29 173.78 3hae s VAL 198 N -0.70 1.13 -0.12 1.09 1.01 0.38 -0.07 120.40 123.12 3hae s VAL 198 Ca 0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3hae s VAL 198 Cb -0.16 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3hae s VAL 198 CO 0.12 0.28 -0.05 -0.89 0.00 0.00 0.00 175.10 174.57 3hae s THR 199 N 1.65 3.86 -0.25 3.92 2.01 0.43 -1.61 115.64 125.65 3hae s THR 199 Ca 0.03 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 3hae s THR 199 Cb -0.14 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 69.85 3hae s THR 199 CO -0.08 0.54 0.30 -2.28 -0.69 0.00 0.00 174.62 172.41 3hae s HIS 200 N -0.11 -0.56 -0.20 4.92 5.04 -0.25 -2.01 115.29 122.12 3hae s HIS 200 Ca 0.02 0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.86 3hae s HIS 200 Cb -0.13 -0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.24 3hae s HIS 200 CO 0.03 -0.75 0.00 0.39 -2.34 0.00 0.00 174.74 172.06 3hae n GLU 201 N 5.33 -0.25 0.00 2.88 -0.58 -1.26 -3.34 120.64 123.42 3hae n GLU 201 Ca -0.04 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3hae n GLU 201 Cb 0.49 -3.87 0.00 0.00 -0.57 0.00 0.00 31.44 27.49 3hae n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hae n GLY 202 N -2.53 1.96 3.80 0.62 0.00 -1.26 -5.06 105.19 102.71 3hae n GLY 202 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hae n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hae s ASN 203 N -1.60 6.37 0.11 1.61 -0.87 -1.21 -5.11 114.94 114.24 3hae s ASN 203 Ca 0.00 0.44 0.04 0.00 -1.57 0.00 0.00 52.86 51.77 3hae s ASN 203 Cb 0.00 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 3hae s ASN 203 CO 0.00 0.27 0.06 -0.89 -2.57 0.00 0.00 177.10 173.97 3hae s THR 204 N -0.32 4.28 -0.11 1.60 2.01 -1.26 -1.10 115.64 120.75 3hae s THR 204 Ca 0.14 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 3hae s THR 204 Cb -0.12 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.33 3hae s THR 204 CO 0.03 0.05 0.28 -0.69 -0.69 0.00 0.00 174.62 173.59 3hae s VAL 205 N -1.48 -0.01 0.01 3.82 1.01 -0.63 -5.00 120.40 118.12 3hae s VAL 205 Ca 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 3hae s VAL 205 Cb -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3hae s VAL 205 CO 0.21 0.02 0.06 -0.70 0.00 0.00 0.00 175.10 174.69 3hae s GLU 206 N 0.56 0.42 0.08 2.72 -6.30 -1.26 -0.47 118.70 114.46 3hae s GLU 206 Ca -0.03 -0.53 0.04 0.00 -2.50 0.00 0.00 54.97 51.94 3hae s GLU 206 Cb -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 34.13 34.22 3hae s GLU 206 CO -0.03 -0.09 -0.11 0.15 0.02 0.00 0.00 175.26 175.19 3hae s LYS 207 N -1.56 0.78 -0.03 4.30 1.02 -0.79 -4.98 119.74 118.48 3hae s LYS 207 Ca -0.14 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 54.89 3hae s LYS 207 Cb -0.08 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 3hae s LYS 207 CO -0.00 0.12 -0.17 0.99 -0.92 0.00 0.00 175.35 175.37 3hae s THR 208 N -1.76 1.38 0.02 2.17 2.01 -1.26 -1.11 115.64 117.09 3hae s THR 208 Ca -0.00 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3hae s THR 208 Cb -0.07 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 3hae s THR 208 CO 0.01 0.40 -0.09 0.68 -0.69 0.00 0.00 174.62 174.93 3hae s VAL 209 N -0.06 0.70 0.09 3.82 -7.23 -0.69 -4.97 120.40 112.05 3hae s VAL 209 Ca -0.01 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.50 3hae s VAL 209 Cb -0.10 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3hae s VAL 209 CO 0.01 -0.07 -0.23 0.00 -0.31 0.00 0.00 175.10 174.50 3hae s ALA 210 N -0.76 2.45 -1.05 1.32 0.00 -1.26 -1.30 121.76 121.16 3hae s ALA 210 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3hae s ALA 210 Cb -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3hae s ALA 210 CO 0.00 0.56 0.26 -2.30 0.00 0.00 0.00 175.76 174.28