#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aic n PHE 6 N 0.00 0.57 -0.22 1.12 3.72 -1.26 -4.65 117.46 116.74 1aic n PHE 6 Ca 0.00 -0.35 0.03 0.00 -0.05 0.00 0.00 57.45 57.08 1aic n PHE 6 Cb 0.00 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 38.67 1aic n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1aic h GLU 7 N 3.67 0.21 -0.51 -1.08 3.07 -2.12 -2.90 114.58 114.92 1aic h GLU 7 Ca 0.00 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.36 58.49 1aic h GLU 7 Cb 0.88 -0.05 -0.26 0.00 -0.84 0.00 0.00 28.75 28.49 1aic h GLU 7 CO 0.00 0.14 -0.48 -1.71 -1.40 0.00 0.00 179.01 175.56 1aic n ASN 8 N -5.19 3.91 -4.72 1.42 2.85 -1.26 -4.97 115.26 107.30 1aic n ASN 8 Ca 0.11 -3.80 -0.41 0.00 -0.11 0.00 0.00 54.58 50.37 1aic n ASN 8 Cb 0.39 -0.49 -0.04 0.00 1.24 0.00 0.00 39.78 40.88 1aic n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1aic s ILE 9 N -4.05 4.82 0.09 -1.44 1.01 -1.10 -5.04 121.20 115.50 1aic s ILE 9 Ca 0.48 1.81 -0.13 0.00 0.00 0.00 0.00 60.65 62.81 1aic s ILE 9 Cb 0.41 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1aic s ILE 9 CO -0.00 0.26 0.47 0.42 0.00 0.00 0.00 174.94 176.08 1aic s THR 10 N 0.54 4.98 0.32 2.92 -4.23 -1.26 -5.03 115.64 113.87 1aic s THR 10 Ca 0.44 0.69 0.26 0.00 -1.18 0.00 0.00 61.69 61.90 1aic s THR 10 Cb -0.20 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.33 1aic s THR 10 CO 0.25 0.32 1.01 0.00 -0.54 0.00 0.00 174.62 175.66 1aic n ALA 11 N 1.03 1.03 -1.35 3.99 0.00 -1.26 -4.97 120.51 118.98 1aic n ALA 11 Ca -0.08 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1aic n ALA 11 Cb 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1aic n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aic n ALA 12 N -2.57 -2.44 -1.33 0.00 0.00 -1.26 -5.00 120.51 107.91 1aic n ALA 12 Ca 0.27 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 1aic n ALA 12 Cb 1.14 -1.06 0.12 0.00 0.00 0.00 0.00 19.45 19.66 1aic n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aic s PRO 13 N -1.86 1.59 0.25 0.00 0.04 -1.26 -4.99 135.00 128.77 1aic s PRO 13 Ca 0.00 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1aic s PRO 13 Cb 0.00 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1aic s PRO 13 CO 0.00 -2.00 1.57 0.00 0.04 0.00 0.00 177.00 176.60 1aic s ALA 14 N -3.01 3.74 0.18 8.56 0.00 -1.26 -4.95 121.76 125.02 1aic s ALA 14 Ca 0.62 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 1aic s ALA 14 Cb -0.17 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 1aic s ALA 14 CO 0.56 -0.88 1.25 0.34 0.00 0.00 0.00 175.76 177.03 1aic s ASP 15 N 0.64 6.99 0.20 0.00 -1.08 -1.26 -4.92 116.67 117.24 1aic s ASP 15 Ca 0.65 2.30 -0.12 0.00 -0.52 0.00 0.00 52.55 54.86 1aic s ASP 15 Cb -0.46 -2.61 0.24 0.00 -1.46 0.00 0.00 42.92 38.64 1aic s ASP 15 CO 0.42 -0.46 1.68 1.55 0.52 0.00 0.00 175.17 178.89 1aic h PRO 16 N 5.42 0.15 0.15 4.34 0.13 -2.00 -1.40 132.00 138.79 1aic h PRO 16 Ca -0.44 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1aic h PRO 16 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1aic h PRO 16 CO 0.76 0.10 -0.07 0.82 -0.23 0.00 0.00 178.00 179.38 1aic h ILE 17 N 0.15 0.00 -0.36 -3.56 1.08 -1.95 -3.36 117.51 109.51 1aic h ILE 17 Ca 0.29 -0.84 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 1aic h ILE 17 Cb 0.44 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.11 1aic h ILE 17 CO -0.44 0.00 -0.13 -0.07 -0.69 0.00 0.00 178.15 176.82 1aic h LEU 18 N -1.05 -0.45 -2.08 1.44 4.07 -1.93 -2.78 115.31 112.53 1aic h LEU 18 Ca -0.02 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1aic h LEU 18 Cb 0.16 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1aic h LEU 18 CO 0.03 -0.16 0.00 1.23 -1.08 0.00 0.00 178.44 178.46 1aic h GLY 19 N -0.05 0.00 1.94 0.83 0.00 -1.43 -2.88 103.07 101.48 1aic h GLY 19 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 1aic h GLY 19 CO -0.40 0.00 -0.71 -2.00 0.00 0.00 0.00 176.54 173.43 1aic h LEU 20 N 0.00 0.07 -0.85 3.11 7.12 -1.64 -3.25 115.31 119.87 1aic h LEU 20 Ca 0.00 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.92 1aic h LEU 20 Cb 0.11 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1aic h LEU 20 CO 0.00 0.76 0.32 0.00 -0.13 0.00 0.00 178.44 179.39 1aic h ALA 21 N 1.24 1.09 0.11 1.25 0.00 -1.67 -1.79 119.26 119.50 1aic h ALA 21 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1aic h ALA 21 Cb 1.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1aic h ALA 21 CO 0.10 0.65 -0.05 -0.44 0.00 0.00 0.00 179.25 179.50 1aic h ASP 22 N 1.13 -0.13 -1.01 0.00 3.32 -1.73 -0.75 116.42 117.25 1aic h ASP 22 Ca 0.26 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.57 1aic h ASP 22 Cb 0.20 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.70 1aic h ASP 22 CO -0.02 -0.09 0.66 0.25 -1.72 0.00 0.00 179.24 178.32 1aic h LEU 23 N -0.15 0.40 0.15 1.55 6.46 -1.55 0.58 115.31 122.75 1aic h LEU 23 Ca -0.02 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1aic h LEU 23 Cb 0.12 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1aic h LEU 23 CO 0.02 0.10 -0.07 0.15 -0.62 0.00 0.00 178.44 178.02 1aic h PHE 24 N 0.36 -0.19 0.07 1.25 3.57 -0.77 -2.90 116.94 118.33 1aic h PHE 24 Ca 0.56 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 62.08 1aic h PHE 24 Cb 1.48 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 1aic h PHE 24 CO -0.00 0.21 -0.41 -0.09 -2.23 0.00 0.00 178.31 175.79 1aic h ARG 25 N -0.93 -0.59 0.00 1.11 2.43 -0.05 -1.26 114.38 115.09 1aic h ARG 25 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1aic h ARG 25 Cb 0.49 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1aic h ARG 25 CO 0.03 -0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.10 1aic n ALA 26 N -2.84 1.61 0.20 2.80 0.00 0.09 -2.24 120.51 120.13 1aic n ALA 26 Ca -0.06 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1aic n ALA 26 Cb 0.37 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.82 1aic n ALA 26 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1aic h ASP 27 N 0.00 0.00 -6.44 0.00 2.03 -1.00 -3.48 116.42 107.52 1aic h ASP 27 Ca 0.00 -0.02 -0.31 0.00 -0.73 0.00 0.00 57.03 55.96 1aic h ASP 27 Cb 0.02 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.44 1aic h ASP 27 CO 0.00 0.01 -0.50 -1.84 -1.03 0.00 0.00 179.24 175.88 1aic n GLU 28 N -2.74 -0.85 -2.95 4.15 0.00 -0.95 -4.97 120.64 112.32 1aic n GLU 28 Ca 0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 57.16 56.84 1aic n GLU 28 Cb 0.53 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.46 1aic n GLU 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1aic s ARG 29 N -5.59 3.71 0.00 3.44 6.06 -1.26 -5.11 118.95 120.20 1aic s ARG 29 Ca 0.08 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.62 1aic s ARG 29 Cb -0.05 -2.45 0.00 0.00 0.06 0.00 0.00 34.95 32.51 1aic s ARG 29 CO 0.51 0.00 0.00 -2.30 -2.50 0.00 0.00 175.30 171.01 1aic n PRO 30 N -1.35 0.00 -0.02 5.12 -0.02 -1.26 -4.49 135.00 132.98 1aic n PRO 30 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1aic n PRO 30 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1aic n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aic n GLY 31 N 0.00 1.45 3.45 -1.23 0.00 -1.26 -4.97 105.19 102.63 1aic n GLY 31 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1aic n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aic n LYS 32 N 0.69 0.35 -4.44 1.61 2.85 -1.26 -4.87 118.16 113.08 1aic n LYS 32 Ca 0.00 0.15 -0.22 0.00 -1.05 0.00 0.00 58.31 57.19 1aic n LYS 32 Cb 0.36 -1.75 -0.16 0.00 -0.65 0.00 0.00 35.03 32.82 1aic n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1aic s ILE 33 N -1.86 0.89 -0.32 0.58 1.01 0.06 -5.00 121.20 116.56 1aic s ILE 33 Ca 0.66 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 1aic s ILE 33 Cb -0.38 -0.83 0.05 0.00 0.01 0.00 0.00 42.46 41.31 1aic s ILE 33 CO 0.58 0.29 0.06 0.21 0.00 0.00 0.00 174.94 176.07 1aic s ASN 34 N 0.56 5.10 -0.08 3.58 2.47 -1.26 -1.06 114.94 124.26 1aic s ASN 34 Ca -0.10 -1.23 0.14 0.00 0.42 0.00 0.00 52.86 52.09 1aic s ASN 34 Cb -0.13 -1.79 0.47 0.00 -1.45 0.00 0.00 41.25 38.34 1aic s ASN 34 CO 0.02 -0.30 1.39 0.18 -3.72 0.00 0.00 177.10 174.67 1aic n LEU 35 N 4.71 3.61 -0.92 3.21 4.77 0.71 -4.34 117.00 128.75 1aic n LEU 35 Ca -0.13 -2.41 0.09 0.00 -0.03 0.00 0.00 56.01 53.54 1aic n LEU 35 Cb 0.44 -0.40 0.24 0.00 -2.33 0.00 0.00 43.42 41.37 1aic n LEU 35 CO 0.29 0.74 0.70 0.61 -1.33 0.00 0.00 177.39 178.40 1aic n GLY 36 N 0.34 1.29 3.80 -0.72 0.00 -1.17 -1.76 105.19 106.97 1aic n GLY 36 Ca 0.18 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1aic n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aic s ILE 37 N -1.39 3.71 -0.20 -0.61 -4.36 -1.26 -4.92 121.20 112.17 1aic s ILE 37 Ca 0.34 0.56 0.16 0.00 -0.26 0.00 0.00 60.65 61.45 1aic s ILE 37 Cb 0.18 -3.24 0.45 0.00 1.25 0.00 0.00 42.46 41.10 1aic s ILE 37 CO 0.24 -0.73 1.18 0.61 0.24 0.00 0.00 174.94 176.48 1aic n GLY 38 N -1.84 3.83 3.23 6.27 0.00 -1.26 -4.74 105.19 110.68 1aic n GLY 38 Ca 0.08 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1aic n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aic s VAL 39 N -3.04 0.98 0.44 1.61 0.11 -1.26 -5.10 120.40 114.14 1aic s VAL 39 Ca 0.38 -2.01 -0.18 0.00 -2.93 0.00 0.00 61.98 57.23 1aic s VAL 39 Cb 0.37 -1.84 -0.10 0.00 -1.53 0.00 0.00 36.38 33.29 1aic s VAL 39 CO -0.05 -0.75 0.92 -0.47 -3.33 0.00 0.00 175.10 171.42 1aic s TYR 40 N -3.45 3.36 -0.00 1.54 5.04 -1.26 -4.88 117.35 117.70 1aic s TYR 40 Ca 0.16 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1aic s TYR 40 Cb 0.04 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1aic s TYR 40 CO -0.01 -0.15 -0.01 0.21 -1.34 0.00 0.00 175.55 174.25 1aic s LYS 41 N -3.42 0.12 0.62 4.97 2.36 -1.26 -4.47 119.74 118.67 1aic s LYS 41 Ca 0.60 -0.04 -0.04 0.00 -2.55 0.00 0.00 55.97 53.94 1aic s LYS 41 Cb -0.09 -0.14 0.13 0.00 -1.05 0.00 0.00 37.83 36.68 1aic s LYS 41 CO 0.19 0.02 0.85 -0.40 1.55 0.00 0.00 175.35 177.56 1aic n ASP 42 N 3.13 0.76 -0.08 1.43 5.68 0.37 -4.80 116.55 123.04 1aic n ASP 42 Ca -0.13 -1.73 0.25 0.00 -0.50 0.00 0.00 54.79 52.67 1aic n ASP 42 Cb 0.59 -0.59 0.72 0.00 -1.14 0.00 0.00 41.12 40.69 1aic n ASP 42 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1aic h GLU 43 N 0.00 0.00 0.00 0.11 4.81 -1.90 0.36 114.58 117.96 1aic h GLU 43 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1aic h GLU 43 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1aic h GLU 43 CO 0.26 0.00 -0.67 0.25 -0.73 0.00 0.00 179.01 178.12 1aic n THR 44 N -4.21 0.16 0.00 0.32 -2.24 -1.26 -4.83 114.28 102.22 1aic n THR 44 Ca 0.14 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1aic n THR 44 Cb 0.80 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1aic n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aic n GLY 45 N 1.41 1.28 3.27 3.38 0.00 0.13 -5.09 105.19 109.58 1aic n GLY 45 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1aic n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aic s LYS 46 N -0.13 1.21 -0.82 1.61 -2.85 -1.26 -4.76 119.74 112.74 1aic s LYS 46 Ca 0.00 -1.60 -0.03 0.00 -1.00 0.00 0.00 55.97 53.33 1aic s LYS 46 Cb 0.00 -0.32 0.21 0.00 -2.06 0.00 0.00 37.83 35.65 1aic s LYS 46 CO 0.00 -0.16 0.69 0.99 0.10 0.00 0.00 175.35 176.97 1aic s THR 47 N -3.64 4.32 1.06 3.79 2.01 -1.26 -0.48 115.64 121.44 1aic s THR 47 Ca 0.28 -3.50 -0.15 0.00 0.31 0.00 0.00 61.69 58.63 1aic s THR 47 Cb 0.06 -3.71 0.22 0.00 0.01 0.00 0.00 72.50 69.09 1aic s THR 47 CO 0.07 -1.03 1.11 -2.84 -0.69 0.00 0.00 174.62 171.24 1aic s PRO 48 N -0.88 -0.11 -0.20 4.92 0.02 -1.26 -5.02 135.00 132.48 1aic s PRO 48 Ca 0.24 0.25 -0.13 0.00 0.02 0.00 0.00 61.00 61.38 1aic s PRO 48 Cb -0.11 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 1aic s PRO 48 CO -0.09 -3.03 0.25 0.08 -0.33 0.00 0.00 177.00 173.87 1aic s VAL 49 N -3.04 5.32 0.52 3.83 1.01 -1.26 -4.96 120.40 121.81 1aic s VAL 49 Ca 0.67 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 1aic s VAL 49 Cb -0.15 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1aic s VAL 49 CO 0.56 0.36 1.05 0.18 0.00 0.00 0.00 175.10 177.26 1aic n LEU 50 N 3.94 3.61 -0.14 3.92 4.32 -1.26 -4.84 117.00 126.55 1aic n LEU 50 Ca -0.13 0.92 -0.11 0.00 -0.02 0.00 0.00 56.01 56.67 1aic n LEU 50 Cb 0.52 -1.41 -0.01 0.00 -1.62 0.00 0.00 43.42 40.89 1aic n LEU 50 CO 0.38 -1.48 0.71 0.74 -1.22 0.00 0.00 177.39 176.52 1aic h THR 51 N 1.08 1.28 0.00 -5.08 2.02 -1.98 -2.32 112.91 107.90 1aic h THR 51 Ca -0.48 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 1aic h THR 51 Cb 1.34 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1aic h THR 51 CO 0.54 0.42 -0.14 0.77 0.37 0.00 0.00 175.52 177.48 1aic h SER 52 N 0.64 0.00 0.14 4.18 4.64 -1.91 -2.09 113.55 119.15 1aic h SER 52 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1aic h SER 52 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1aic h SER 52 CO 0.05 0.14 -0.07 0.58 -0.87 0.00 0.00 176.83 176.66 1aic h VAL 53 N 0.00 1.00 -0.88 0.95 2.07 -1.79 -1.56 116.25 116.05 1aic h VAL 53 Ca -0.00 -1.10 0.19 0.00 0.82 0.00 0.00 66.70 66.61 1aic h VAL 53 Cb 0.28 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1aic h VAL 53 CO 0.02 0.24 0.58 0.50 0.02 0.00 0.00 177.57 178.93 1aic h LYS 54 N -0.76 0.40 -0.02 1.57 1.63 -1.25 0.25 116.57 118.40 1aic h LYS 54 Ca -0.02 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.60 1aic h LYS 54 Cb 0.53 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1aic h LYS 54 CO 0.03 0.27 -0.72 0.87 -3.45 0.00 0.00 179.45 176.45 1aic h LYS 55 N 0.42 0.14 0.00 1.90 1.57 -1.10 -2.57 116.57 116.93 1aic h LYS 55 Ca 0.45 -0.12 -0.21 0.00 -1.87 0.00 0.00 60.65 58.91 1aic h LYS 55 Cb 1.10 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1aic h LYS 55 CO -0.17 0.80 -1.00 0.00 -0.57 0.00 0.00 179.45 178.51 1aic h ALA 56 N 1.17 0.38 0.00 3.86 0.00 0.43 -2.80 119.26 122.30 1aic h ALA 56 Ca -0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.95 1aic h ALA 56 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1aic h ALA 56 CO 0.10 1.23 -0.18 0.93 0.00 0.00 0.00 179.25 181.33 1aic h GLU 57 N 0.00 0.00 0.15 0.00 5.08 -0.89 -0.13 114.58 118.78 1aic h GLU 57 Ca -0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1aic h GLU 57 Cb 1.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.02 1aic h GLU 57 CO 0.13 0.18 -1.35 0.37 -1.00 0.00 0.00 179.01 177.33 1aic h GLN 58 N 0.00 0.32 -0.57 2.33 5.75 -1.36 -1.84 115.11 119.74 1aic h GLN 58 Ca -0.00 -0.55 0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1aic h GLN 58 Cb 0.45 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1aic h GLN 58 CO 0.02 1.24 0.36 -0.92 -2.65 0.00 0.00 178.83 176.89 1aic h TYR 59 N 0.09 0.68 -0.05 3.99 3.20 -1.13 -1.56 116.97 122.19 1aic h TYR 59 Ca -0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 1aic h TYR 59 Cb 2.02 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 1aic h TYR 59 CO 0.08 0.41 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.89 1aic h LEU 60 N 0.73 0.12 -0.82 2.82 3.38 -1.05 -0.94 115.31 119.55 1aic h LEU 60 Ca 0.22 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 57.87 1aic h LEU 60 Cb -0.04 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.53 1aic h LEU 60 CO -0.07 0.57 -0.24 0.25 0.09 0.00 0.00 178.44 179.04 1aic h LEU 61 N -0.33 -0.89 -0.71 1.67 6.46 -1.18 0.60 115.31 120.94 1aic h LEU 61 Ca 0.01 0.25 -0.12 0.00 -0.12 0.00 0.00 57.88 57.90 1aic h LEU 61 Cb 0.54 0.55 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1aic h LEU 61 CO 0.01 -0.28 -0.59 -0.33 -0.62 0.00 0.00 178.44 176.63 1aic h GLU 62 N -0.02 0.00 0.00 1.25 5.08 -1.21 -3.37 114.58 116.31 1aic h GLU 62 Ca 0.38 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1aic h GLU 62 Cb 0.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1aic h GLU 62 CO -0.85 0.59 -2.06 0.09 -1.00 0.00 0.00 179.01 175.78 1aic n ASN 63 N -3.67 0.69 -4.69 1.42 4.13 -0.06 -4.96 115.26 108.13 1aic n ASN 63 Ca -0.01 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.83 1aic n ASN 63 Cb 0.62 1.32 -0.03 0.00 -1.54 0.00 0.00 39.78 40.15 1aic n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1aic s GLU 64 N -2.79 4.18 0.00 3.52 2.02 0.00 -4.88 118.70 120.76 1aic s GLU 64 Ca -0.08 2.38 0.21 0.00 0.02 0.00 0.00 54.97 57.50 1aic s GLU 64 Cb 0.08 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.69 1aic s GLU 64 CO 0.74 -0.77 1.04 0.25 0.02 0.00 0.00 175.26 176.55 1aic n THR 66 N 4.78 0.00 -3.49 3.63 -2.24 -1.26 -5.00 114.28 110.70 1aic n THR 66 Ca 0.16 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1aic n THR 66 Cb 0.40 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 1aic n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1aic s THR 67 N -2.25 0.00 -0.28 4.28 -1.32 -1.26 -5.00 115.64 109.80 1aic s THR 67 Ca 0.18 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.75 1aic s THR 67 Cb 0.17 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.63 1aic s THR 67 CO 0.49 0.00 1.38 0.29 -2.21 0.00 0.00 174.62 174.58 1aic n LYS 68 N 0.26 2.00 -2.04 7.08 5.02 -1.26 -5.04 118.16 124.18 1aic n LYS 68 Ca -0.16 -3.35 -0.38 0.00 -2.02 0.00 0.00 58.31 52.41 1aic n LYS 68 Cb 0.61 -1.83 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 1aic n LYS 68 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1aic s ASN 69 N -2.85 5.79 0.60 4.39 2.47 -1.26 -4.90 114.94 119.19 1aic s ASN 69 Ca 0.44 2.53 -0.18 0.00 0.42 0.00 0.00 52.86 56.07 1aic s ASN 69 Cb 0.40 -2.62 -0.12 0.00 -1.45 0.00 0.00 41.25 37.46 1aic s ASN 69 CO -0.02 -1.19 0.03 -1.22 -3.72 0.00 0.00 177.10 170.98 1aic n TYR 70 N -0.67 -2.38 -3.53 0.43 4.01 -1.26 -5.01 117.16 108.74 1aic n TYR 70 Ca 0.08 0.38 -0.30 0.00 -0.16 0.00 0.00 57.90 57.91 1aic n TYR 70 Cb 0.46 -1.75 -0.04 0.00 -0.31 0.00 0.00 39.34 37.70 1aic n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1aic s LEU 71 N 3.68 4.18 1.13 7.72 1.43 -1.26 -5.09 118.68 130.47 1aic s LEU 71 Ca 0.59 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 1aic s LEU 71 Cb -0.43 -3.40 0.17 0.00 0.03 0.00 0.00 46.19 42.56 1aic s LEU 71 CO 0.64 -0.07 0.40 0.61 0.23 0.00 0.00 176.35 178.17 1aic n GLY 72 N -0.43 -2.28 0.25 -3.19 0.00 -1.26 -4.79 105.19 93.48 1aic n GLY 72 Ca -0.02 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.18 1aic n GLY 72 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aic h ILE 73 N -2.28 0.67 -0.16 -0.61 2.04 -1.98 -0.49 117.51 114.71 1aic h ILE 73 Ca -0.56 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1aic h ILE 73 Cb 1.35 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1aic h ILE 73 CO 0.42 0.16 0.00 -0.90 0.00 0.00 0.00 178.15 177.83 1aic n ASP 74 N -3.70 2.84 0.00 1.72 5.75 -1.26 -4.48 116.55 117.41 1aic n ASP 74 Ca -0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1aic n ASP 74 Cb 0.28 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1aic n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aic n GLY 75 N 1.36 0.05 3.67 6.12 0.00 -0.19 -0.64 105.19 115.56 1aic n GLY 75 Ca 0.17 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1aic n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aic s ILE 76 N 0.00 4.86 0.08 -0.61 1.01 -1.26 -4.34 121.20 120.94 1aic s ILE 76 Ca 0.00 1.72 -0.23 0.00 0.00 0.00 0.00 60.65 62.14 1aic s ILE 76 Cb 0.00 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1aic s ILE 76 CO 0.00 0.02 1.38 -0.65 0.00 0.00 0.00 174.94 175.68 1aic h PRO 77 N 7.28 -0.42 -0.02 2.79 0.11 -1.97 -1.97 132.00 137.80 1aic h PRO 77 Ca -0.29 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1aic h PRO 77 Cb 1.13 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1aic h PRO 77 CO 0.85 -0.28 -0.23 0.93 -0.21 0.00 0.00 178.00 179.06 1aic h GLU 78 N -0.44 0.03 -0.35 1.05 3.07 -1.98 0.19 114.58 116.15 1aic h GLU 78 Ca 0.01 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1aic h GLU 78 Cb 0.48 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.30 1aic h GLU 78 CO -0.27 0.25 -0.32 0.35 -1.40 0.00 0.00 179.01 177.63 1aic h PHE 79 N 0.02 -0.87 -0.53 4.33 3.57 -1.83 0.69 116.94 122.32 1aic h PHE 79 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1aic h PHE 79 Cb 0.42 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1aic h PHE 79 CO 0.00 -0.38 0.33 0.78 -2.23 0.00 0.00 178.31 176.82 1aic h GLY 80 N -0.27 0.74 0.75 2.40 0.00 0.05 -0.80 103.07 105.94 1aic h GLY 80 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1aic h GLY 80 CO -0.50 0.24 0.08 3.21 0.00 0.00 0.00 176.54 179.57 1aic h ARG 81 N 0.67 0.19 -0.56 4.80 3.08 -0.64 -2.28 114.38 119.64 1aic h ARG 81 Ca 0.20 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1aic h ARG 81 Cb -0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1aic h ARG 81 CO -0.07 0.12 0.15 0.00 -1.07 0.00 0.00 179.97 179.11 1aic h THR 83 N 0.83 1.34 -0.20 0.00 1.03 -0.83 -2.02 112.91 113.06 1aic h THR 83 Ca 0.18 -2.82 -0.02 0.00 -0.01 0.00 0.00 66.41 63.75 1aic h THR 83 Cb 0.28 2.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 1aic h THR 83 CO -0.00 0.75 0.05 1.56 -0.01 0.00 0.00 175.52 177.87 1aic h GLN 84 N 0.00 0.31 -0.81 0.00 4.20 -0.92 -0.96 115.11 116.92 1aic h GLN 84 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1aic h GLN 84 Cb 1.55 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 1aic h GLN 84 CO 0.10 0.43 0.47 0.93 -0.67 0.00 0.00 178.83 180.09 1aic h GLU 85 N 0.14 1.12 -0.78 1.46 5.08 -1.21 -0.34 114.58 120.04 1aic h GLU 85 Ca 0.06 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1aic h GLU 85 Cb 0.25 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1aic h GLU 85 CO -0.00 0.80 0.34 1.25 -1.00 0.00 0.00 179.01 180.40 1aic h LEU 86 N 1.13 1.04 0.03 1.33 5.85 -0.95 0.40 115.31 124.14 1aic h LEU 86 Ca 0.29 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1aic h LEU 86 Cb -0.01 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.75 1aic h LEU 86 CO -0.05 0.90 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.65 1aic h LEU 87 N 1.12 0.16 -1.67 2.25 4.07 -0.47 -3.37 115.31 117.40 1aic h LEU 87 Ca 0.26 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1aic h LEU 87 Cb 0.16 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1aic h LEU 87 CO -0.03 1.04 0.00 0.49 -1.08 0.00 0.00 178.44 178.86 1aic n PHE 88 N -4.50 0.00 0.00 1.13 3.72 -0.20 -4.73 117.46 112.89 1aic n PHE 88 Ca -0.11 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1aic n PHE 88 Cb 0.54 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1aic n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aic n GLY 89 N 0.97 -2.12 0.25 1.37 0.00 0.14 -4.29 105.19 101.51 1aic n GLY 89 Ca 0.10 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.83 1aic n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1aic h LYS 90 N 0.00 0.01 -0.51 1.61 3.64 -1.91 -2.96 116.57 116.45 1aic h LYS 90 Ca 0.00 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1aic h LYS 90 Cb 0.00 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1aic h LYS 90 CO 0.00 0.07 0.12 0.41 -2.27 0.00 0.00 179.45 177.78 1aic n GLY 91 N -1.36 4.08 3.76 5.01 0.00 -1.26 -4.96 105.19 110.46 1aic n GLY 91 Ca -0.03 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1aic n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aic s SER 92 N -1.66 6.37 0.29 1.61 0.15 -1.12 -4.83 113.70 114.51 1aic s SER 92 Ca 0.49 2.98 0.02 0.00 0.70 0.00 0.00 55.95 60.14 1aic s SER 92 Cb 0.40 -2.65 0.57 0.00 -1.71 0.00 0.00 66.02 62.63 1aic s SER 92 CO 0.09 -0.89 1.84 0.00 1.20 0.00 0.00 173.24 175.48 1aic h ALA 93 N 4.11 1.53 -0.81 5.45 0.00 -1.93 0.72 119.26 128.32 1aic h ALA 93 Ca -0.49 0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.66 1aic h ALA 93 Cb 1.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1aic h ALA 93 CO 0.73 0.21 0.57 -0.07 0.00 0.00 0.00 179.25 180.69 1aic h LEU 94 N 0.98 0.14 0.07 0.00 4.07 -1.94 0.60 115.31 119.24 1aic h LEU 94 Ca 0.50 0.01 -0.25 0.00 0.08 0.00 0.00 57.88 58.22 1aic h LEU 94 Cb 0.50 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1aic h LEU 94 CO -0.27 0.06 -1.34 0.40 -1.08 0.00 0.00 178.44 176.21 1aic h ILE 95 N 0.15 1.00 -0.32 1.22 2.04 -1.30 -0.05 117.51 120.25 1aic h ILE 95 Ca 0.40 -2.32 -0.09 0.00 1.00 0.00 0.00 64.86 63.85 1aic h ILE 95 Cb 1.35 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 40.01 1aic h ILE 95 CO -0.06 0.61 -0.17 0.78 0.00 0.00 0.00 178.15 179.30 1aic h ASN 96 N -0.51 0.56 -0.07 1.72 -0.26 0.11 -1.41 115.58 115.72 1aic h ASN 96 Ca -0.31 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1aic h ASN 96 Cb 1.61 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.72 1aic h ASN 96 CO -0.02 0.75 0.00 0.47 -1.06 0.00 0.00 177.43 177.57 1aic n ASP 97 N -4.16 0.56 -3.79 5.81 9.92 0.18 -4.90 116.55 120.18 1aic n ASP 97 Ca 0.00 -1.68 -0.24 0.00 -0.53 0.00 0.00 54.79 52.34 1aic n ASP 97 Cb 0.37 -0.05 0.03 0.00 -0.64 0.00 0.00 41.12 40.82 1aic n ASP 97 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1aic n LYS 98 N -0.34 -4.92 0.00 -1.24 0.00 -0.53 -4.33 118.16 106.79 1aic n LYS 98 Ca 0.11 0.59 0.12 0.00 0.00 0.00 0.00 58.31 59.13 1aic n LYS 98 Cb 0.13 -5.20 0.12 0.00 0.00 0.00 0.00 35.03 30.08 1aic n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1aic n ARG 99 N -4.40 1.15 -4.40 1.64 1.74 -0.04 -3.81 116.66 108.54 1aic n ARG 99 Ca -0.21 -0.89 -0.23 0.00 -0.77 0.00 0.00 57.85 55.76 1aic n ARG 99 Cb 0.64 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 1aic n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aic s ALA 100 N -2.46 1.57 -0.07 7.54 0.00 -1.24 -2.10 121.76 125.00 1aic s ALA 100 Ca 0.21 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1aic s ALA 100 Cb 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1aic s ALA 100 CO 0.54 0.32 -0.13 1.03 0.00 0.00 0.00 175.76 177.52 1aic s ARG 101 N -1.49 1.78 -0.12 0.00 1.81 -0.56 -4.99 118.95 115.38 1aic s ARG 101 Ca 0.05 -0.43 -0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1aic s ARG 101 Cb -0.09 -1.48 -0.02 0.00 -0.45 0.00 0.00 34.95 32.91 1aic s ARG 101 CO 0.03 0.02 -0.12 0.99 -0.68 0.00 0.00 175.30 175.53 1aic s THR 102 N 0.71 3.17 -0.13 0.02 2.01 -1.26 -1.42 115.64 118.74 1aic s THR 102 Ca -0.14 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1aic s THR 102 Cb -0.16 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1aic s THR 102 CO 0.03 0.53 -0.05 0.00 -0.69 0.00 0.00 174.62 174.44 1aic s ALA 103 N 0.17 2.97 0.16 7.40 0.00 -0.47 -4.89 121.76 127.10 1aic s ALA 103 Ca -0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1aic s ALA 103 Cb -0.15 -1.46 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 1aic s ALA 103 CO 0.05 0.30 1.04 -1.14 0.00 0.00 0.00 175.76 176.01 1aic s GLN 104 N 0.10 4.65 0.16 0.00 0.74 0.18 -0.81 119.66 124.68 1aic s GLN 104 Ca -0.01 1.61 0.02 0.00 0.05 0.00 0.00 55.36 57.03 1aic s GLN 104 Cb -0.14 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.62 1aic s GLN 104 CO 0.03 0.16 -0.02 0.95 -0.55 0.00 0.00 175.29 175.86 1aic s THR 105 N -0.26 0.74 -1.15 -0.34 -4.23 -0.56 -4.66 115.64 105.18 1aic s THR 105 Ca 0.48 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.77 1aic s THR 105 Cb -0.27 -2.03 -0.12 0.00 1.34 0.00 0.00 72.50 71.43 1aic s THR 105 CO 0.33 -0.56 1.98 -2.16 -0.54 0.00 0.00 174.62 173.66 1aic s PRO 106 N -3.88 2.21 0.00 3.99 0.04 -1.26 -2.65 135.00 133.45 1aic s PRO 106 Ca 0.21 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.27 1aic s PRO 106 Cb 0.06 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1aic s PRO 106 CO 0.02 -4.29 0.00 0.41 0.04 0.00 0.00 177.00 173.18 1aic n GLY 107 N 5.91 -0.50 0.18 0.56 0.00 -1.21 -2.84 105.19 107.29 1aic n GLY 107 Ca 0.44 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 1aic n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aic h GLY 108 N 0.00 0.22 0.92 -0.02 0.00 -1.77 -1.89 103.07 100.54 1aic h GLY 108 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1aic h GLY 108 CO 0.00 0.22 0.50 -0.84 0.00 0.00 0.00 176.54 176.42 1aic h THR 109 N 0.16 1.14 -0.59 4.70 2.02 -1.92 -2.62 112.91 115.79 1aic h THR 109 Ca 0.00 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1aic h THR 109 Cb 0.98 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1aic h THR 109 CO 0.08 0.18 0.06 1.23 0.37 0.00 0.00 175.52 177.44 1aic h GLY 110 N 0.98 1.06 1.01 2.16 0.00 -1.32 -1.20 103.07 105.75 1aic h GLY 110 Ca 0.30 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1aic h GLY 110 CO -0.09 0.65 0.53 0.00 0.00 0.00 0.00 176.54 177.63 1aic h ALA 111 N 1.14 1.57 0.23 3.60 0.00 -1.11 -1.53 119.26 123.17 1aic h ALA 111 Ca 0.18 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 1aic h ALA 111 Cb 0.45 -0.25 0.04 0.00 0.00 0.00 0.00 17.79 18.03 1aic h ALA 111 CO 0.02 0.32 -1.44 -0.07 0.00 0.00 0.00 179.25 178.08 1aic h LEU 112 N 0.93 0.84 -0.22 0.00 4.07 -0.90 -2.19 115.31 117.83 1aic h LEU 112 Ca 0.34 -0.87 -0.04 0.00 0.08 0.00 0.00 57.88 57.38 1aic h LEU 112 Cb 0.16 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1aic h LEU 112 CO -0.11 1.68 -0.02 -0.09 -1.08 0.00 0.00 178.44 178.82 1aic h ARG 113 N 0.16 0.40 -0.73 1.13 9.65 -1.24 -1.61 114.38 122.15 1aic h ARG 113 Ca -0.24 -0.14 0.08 0.00 -1.10 0.00 0.00 59.98 58.59 1aic h ARG 113 Cb 2.13 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 30.63 1aic h ARG 113 CO 0.27 0.61 0.48 0.28 2.80 0.00 0.00 179.97 184.40 1aic h VAL 114 N 0.15 0.97 -0.20 0.20 2.07 -1.28 0.59 116.25 118.75 1aic h VAL 114 Ca 0.06 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1aic h VAL 114 Cb 0.44 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1aic h VAL 114 CO 0.01 0.12 -0.29 0.00 0.02 0.00 0.00 177.57 177.44 1aic h ALA 115 N 1.62 0.31 -0.35 1.67 0.00 -1.31 -1.95 119.26 119.25 1aic h ALA 115 Ca 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1aic h ALA 115 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1aic h ALA 115 CO -0.11 0.32 0.22 0.00 0.00 0.00 0.00 179.25 179.68 1aic h ALA 116 N 0.62 0.45 -0.16 0.00 0.00 -0.51 0.17 119.26 119.83 1aic h ALA 116 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1aic h ALA 116 Cb 0.86 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1aic h ALA 116 CO 0.07 -0.07 -0.48 -0.44 0.00 0.00 0.00 179.25 178.33 1aic h ASP 117 N 0.47 0.45 -0.15 0.00 3.32 -0.95 0.20 116.42 119.75 1aic h ASP 117 Ca 0.13 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1aic h ASP 117 Cb -0.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1aic h ASP 117 CO -0.03 0.86 0.05 0.15 -1.72 0.00 0.00 179.24 178.56 1aic h PHE 118 N 0.33 0.24 -0.21 4.55 3.57 -0.58 -1.72 116.94 123.13 1aic h PHE 118 Ca 0.02 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1aic h PHE 118 Cb 0.97 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1aic h PHE 118 CO 0.03 0.34 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.23 1aic h LEU 119 N 0.08 0.50 -1.89 0.59 3.38 -0.54 -2.53 115.31 114.89 1aic h LEU 119 Ca 0.05 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1aic h LEU 119 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1aic h LEU 119 CO -0.00 0.83 -0.09 0.00 0.09 0.00 0.00 178.44 179.27 1aic h ALA 120 N 0.68 1.16 -0.07 1.53 0.00 -0.53 -2.54 119.26 119.49 1aic h ALA 120 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aic h ALA 120 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1aic h ALA 120 CO 0.04 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1aic n LYS 121 N -3.44 1.20 0.00 0.00 4.76 -0.65 -4.51 118.16 115.52 1aic n LYS 121 Ca -0.01 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.20 1aic n LYS 121 Cb 0.25 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1aic n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1aic n ASN 122 N 0.10 1.77 -2.74 4.39 3.02 -0.98 -5.08 115.26 115.74 1aic n ASN 122 Ca 0.04 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1aic n ASN 122 Cb 0.21 0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 1aic n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1aic n THR 123 N -0.64 0.00 0.10 3.41 -1.04 -0.96 -5.03 114.28 110.12 1aic n THR 123 Ca 0.00 -0.77 0.06 0.00 -2.04 0.00 0.00 64.05 61.30 1aic n THR 123 Cb 0.00 0.18 0.11 0.00 -1.82 0.00 0.00 70.33 68.80 1aic n THR 123 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1aic n SER 124 N -1.25 2.56 -4.35 8.00 3.41 -1.26 -4.81 113.62 115.92 1aic n SER 124 Ca -0.06 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1aic n SER 124 Cb 0.21 -0.14 0.18 0.00 -0.26 0.00 0.00 64.21 64.20 1aic n SER 124 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1aic n VAL 125 N 0.61 0.00 -1.41 -3.33 0.31 -1.26 -4.84 118.33 108.41 1aic n VAL 125 Ca 0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1aic n VAL 125 Cb 0.38 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1aic n VAL 125 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1aic n LYS 126 N -2.66 0.00 -3.69 5.55 4.81 -1.26 -4.89 118.16 116.02 1aic n LYS 126 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 1aic n LYS 126 Cb 0.59 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.54 1aic n LYS 126 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1aic s ARG 129 N 0.00 0.46 -0.03 1.64 3.52 -1.26 -1.16 118.95 122.12 1aic s ARG 129 Ca 0.00 0.80 -0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1aic s ARG 129 Cb 0.00 0.06 0.03 0.00 -1.56 0.00 0.00 34.95 33.48 1aic s ARG 129 CO 0.00 -0.13 0.02 0.54 -0.81 0.00 0.00 175.30 174.91 1aic s VAL 133 N 1.14 0.09 -0.23 7.11 0.11 -0.87 0.40 120.40 128.14 1aic s VAL 133 Ca -0.07 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1aic s VAL 133 Cb -0.07 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1aic s VAL 133 CO -0.10 0.14 0.68 0.26 -3.33 0.00 0.00 175.10 172.75 1aic s TRP 134 N 1.24 3.32 0.16 1.54 0.52 -0.32 -1.81 118.94 123.59 1aic s TRP 134 Ca -0.07 0.94 0.11 0.00 0.02 0.00 0.00 56.10 57.10 1aic s TRP 134 Cb -0.13 -2.88 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 1aic s TRP 134 CO -0.02 -0.30 -0.23 0.14 0.02 0.00 0.00 176.95 176.56 1aic s VAL 135 N 2.40 2.43 0.76 4.03 -7.23 -0.10 -0.86 120.40 121.83 1aic s VAL 135 Ca 0.29 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 1aic s VAL 135 Cb -0.16 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.71 1aic s VAL 135 CO 0.09 -0.01 1.15 -0.94 -0.31 0.00 0.00 175.10 175.08 1aic s SER 136 N -2.38 4.21 -0.29 4.85 1.04 -1.26 -1.95 113.70 117.92 1aic s SER 136 Ca 0.18 2.14 -0.06 0.00 0.48 0.00 0.00 55.95 58.69 1aic s SER 136 Cb -0.09 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1aic s SER 136 CO 0.09 -2.24 0.06 0.21 0.98 0.00 0.00 173.24 172.34 1aic s ASN 137 N -2.53 5.01 0.79 7.02 3.84 0.12 -3.13 114.94 126.04 1aic s ASN 137 Ca 0.69 -0.73 -0.10 0.00 0.21 0.00 0.00 52.86 52.93 1aic s ASN 137 Cb -0.24 -1.85 0.09 0.00 -0.55 0.00 0.00 41.25 38.71 1aic s ASN 137 CO 0.49 -0.18 1.13 -2.16 -2.79 0.00 0.00 177.10 173.58 1aic s PRO 138 N 1.47 1.84 0.26 0.43 0.04 -1.26 -3.69 135.00 134.10 1aic s PRO 138 Ca 0.02 -0.17 -0.04 0.00 0.04 0.00 0.00 61.00 60.85 1aic s PRO 138 Cb -0.17 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1aic s PRO 138 CO 0.01 -1.57 0.33 0.45 0.04 0.00 0.00 177.00 176.27 1aic s SER 139 N -4.61 0.42 0.01 6.66 0.15 -1.18 -4.60 113.70 110.55 1aic s SER 139 Ca 0.63 -1.31 -0.34 0.00 0.70 0.00 0.00 55.95 55.63 1aic s SER 139 Cb -0.10 0.53 -0.13 0.00 -1.71 0.00 0.00 66.02 64.62 1aic s SER 139 CO 0.48 -1.07 1.75 1.87 1.20 0.00 0.00 173.24 177.47 1aic n TRP 140 N -0.41 2.29 0.19 3.44 -0.00 -1.08 -4.56 117.44 117.31 1aic n TRP 140 Ca 0.01 0.12 0.11 0.00 -0.00 0.00 0.00 57.50 57.74 1aic n TRP 140 Cb 0.63 -2.61 0.64 0.00 -0.00 0.00 0.00 31.31 29.98 1aic n TRP 140 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1aic h PRO 141 N 7.79 0.02 0.00 5.87 0.13 -1.99 -1.39 132.00 142.43 1aic h PRO 141 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1aic h PRO 141 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1aic h PRO 141 CO 0.92 0.01 0.00 -1.71 -0.23 0.00 0.00 178.00 176.99 1aic n ASN 142 N -4.50 0.00 -0.05 1.44 5.15 -1.26 -3.10 115.26 112.93 1aic n ASN 142 Ca 0.00 -1.26 -0.11 0.00 -0.60 0.00 0.00 54.58 52.61 1aic n ASN 142 Cb 0.21 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.40 1aic n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1aic h HIS 143 N 0.00 0.30 -0.87 1.20 3.86 -1.62 -2.48 115.15 115.53 1aic h HIS 143 Ca 0.00 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1aic h HIS 143 Cb 0.00 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1aic h HIS 143 CO 0.00 0.42 0.58 -0.22 0.86 0.00 0.00 177.93 179.57 1aic h LYS 144 N 0.09 1.14 -0.08 2.45 3.64 -1.76 -2.85 116.57 119.21 1aic h LYS 144 Ca 0.05 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1aic h LYS 144 Cb 0.27 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1aic h LYS 144 CO 0.00 0.76 -0.83 0.77 -2.27 0.00 0.00 179.45 177.88 1aic h SER 145 N 1.18 0.70 -0.12 4.20 0.02 -1.68 -0.16 113.55 117.69 1aic h SER 145 Ca 0.32 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1aic h SER 145 Cb -0.14 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.19 1aic h SER 145 CO -0.07 1.27 -0.04 -0.37 -1.14 0.00 0.00 176.83 176.48 1aic h VAL 146 N 0.37 1.30 -0.57 2.27 -1.51 -1.23 -1.97 116.25 114.91 1aic h VAL 146 Ca -0.06 -1.03 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 1aic h VAL 146 Cb 1.44 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 1aic h VAL 146 CO 0.16 0.30 0.00 -0.26 -1.23 0.00 0.00 177.57 176.53 1aic h PHE 147 N -0.09 1.07 -0.13 5.19 0.04 -1.55 -2.57 116.94 118.89 1aic h PHE 147 Ca 0.03 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 1aic h PHE 147 Cb 0.48 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1aic h PHE 147 CO 0.06 0.95 -0.32 -0.91 -0.60 0.00 0.00 178.31 177.50 1aic h ASN 148 N 0.91 0.26 0.45 2.17 2.35 -0.95 -2.03 115.58 118.74 1aic h ASN 148 Ca 0.17 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1aic h ASN 148 Cb 0.53 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1aic h ASN 148 CO 0.03 0.58 0.00 0.28 -1.65 0.00 0.00 177.43 176.66 1aic h SER 149 N 0.23 0.00 -0.16 5.81 0.02 -0.93 -1.95 113.55 116.57 1aic h SER 149 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1aic h SER 149 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1aic h SER 149 CO 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1aic n ALA 150 N -2.04 2.45 -1.52 3.77 0.00 -0.78 -4.96 120.51 117.42 1aic n ALA 150 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1aic n ALA 150 Cb 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1aic n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aic n GLY 151 N 1.40 0.95 3.57 0.00 0.00 -0.73 -4.82 105.19 105.57 1aic n GLY 151 Ca 0.16 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1aic n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aic s LEU 152 N -0.40 3.05 0.24 0.99 1.02 -1.09 -5.02 118.68 117.48 1aic s LEU 152 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.13 53.52 1aic s LEU 152 Cb 0.00 -1.82 -0.09 0.00 0.02 0.00 0.00 46.19 44.30 1aic s LEU 152 CO 0.00 0.21 0.99 -1.61 0.02 0.00 0.00 176.35 175.96 1aic s GLU 154 N -1.97 4.78 -0.08 1.70 2.02 -0.31 -4.30 118.70 120.54 1aic s GLU 154 Ca 0.20 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.78 1aic s GLU 154 Cb -0.11 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 1aic s GLU 154 CO 0.12 0.40 -0.07 0.14 0.02 0.00 0.00 175.26 175.87 1aic s VAL 155 N -1.09 3.63 0.25 2.63 -7.23 -1.26 -2.06 120.40 115.27 1aic s VAL 155 Ca 0.43 -0.49 0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1aic s VAL 155 Cb -0.28 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1aic s VAL 155 CO 0.35 0.58 -0.17 -0.13 -0.31 0.00 0.00 175.10 175.41 1aic s ARG 156 N -0.53 1.75 -0.08 4.82 1.81 -0.75 -4.97 118.95 121.00 1aic s ARG 156 Ca 0.08 -1.62 0.01 0.00 -1.72 0.00 0.00 55.73 52.48 1aic s ARG 156 Cb -0.12 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.48 1aic s ARG 156 CO 0.02 0.36 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.69 1aic s GLU 157 N -3.27 2.90 0.16 3.54 2.02 -1.26 -0.92 118.70 121.87 1aic s GLU 157 Ca 0.28 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.72 1aic s GLU 157 Cb -0.06 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1aic s GLU 157 CO 0.14 0.51 -0.00 1.52 0.02 0.00 0.00 175.26 177.46 1aic s TYR 158 N -0.42 2.86 0.67 1.61 -0.85 -0.82 -4.93 117.35 115.46 1aic s TYR 158 Ca 0.06 -0.13 -0.10 0.00 -0.52 0.00 0.00 57.07 56.38 1aic s TYR 158 Cb -0.12 -1.40 0.00 0.00 0.38 0.00 0.00 41.96 40.83 1aic s TYR 158 CO 0.02 0.51 1.04 0.00 -1.52 0.00 0.00 175.55 175.61 1aic s ALA 159 N -1.68 3.01 0.18 9.51 0.00 -1.26 0.11 121.76 131.62 1aic s ALA 159 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1aic s ALA 159 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1aic s ALA 159 CO 0.18 -0.99 0.00 0.98 0.00 0.00 0.00 175.76 175.93 1aic n TYR 160 N -2.87 -2.72 -4.18 0.00 9.36 -1.24 -3.98 117.16 111.52 1aic n TYR 160 Ca 0.06 0.54 -0.36 0.00 3.32 0.00 0.00 57.90 61.46 1aic n TYR 160 Cb 0.57 1.56 -0.08 0.00 -0.63 0.00 0.00 39.34 40.75 1aic n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1aic s TYR 161 N -2.00 3.32 -0.39 2.98 5.04 -1.25 -1.81 117.35 123.25 1aic s TYR 161 Ca 0.00 0.30 -0.11 0.00 -2.44 0.00 0.00 57.07 54.82 1aic s TYR 161 Cb 0.00 -1.86 0.04 0.00 0.35 0.00 0.00 41.96 40.49 1aic s TYR 161 CO 0.00 0.55 0.23 0.34 -1.34 0.00 0.00 175.55 175.33 1aic s ASP 162 N -0.87 5.77 0.37 4.32 2.15 -0.64 -4.83 116.67 122.93 1aic s ASP 162 Ca 0.13 -1.11 0.07 0.00 0.43 0.00 0.00 52.55 52.07 1aic s ASP 162 Cb -0.12 -2.04 0.71 0.00 -0.30 0.00 0.00 42.92 41.18 1aic s ASP 162 CO 0.03 -0.44 1.91 0.00 -0.17 0.00 0.00 175.17 176.50 1aic h ALA 163 N 8.47 1.47 0.07 3.66 0.00 -1.98 0.18 119.26 131.12 1aic h ALA 163 Ca -0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1aic h ALA 163 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1aic h ALA 163 CO 0.70 0.38 -0.03 0.93 0.00 0.00 0.00 179.25 181.23 1aic h GLU 164 N 0.39 -0.09 -0.01 0.00 5.08 -1.98 -3.32 114.58 114.66 1aic h GLU 164 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1aic h GLU 164 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1aic h GLU 164 CO 0.01 0.41 -0.59 0.09 -1.00 0.00 0.00 179.01 177.93 1aic n ASN 165 N -4.88 1.24 -3.03 1.42 3.02 -1.17 -4.99 115.26 106.87 1aic n ASN 165 Ca -0.09 -1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 53.34 1aic n ASN 165 Cb 0.27 0.52 0.06 0.00 -0.61 0.00 0.00 39.78 40.02 1aic n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aic n HIS 166 N -0.86 -2.20 -3.59 3.10 8.25 0.62 -5.02 115.22 115.52 1aic n HIS 166 Ca 0.08 0.77 -0.03 0.00 -0.26 0.00 0.00 57.72 58.27 1aic n HIS 166 Cb 0.38 -3.92 -0.00 0.00 1.12 0.00 0.00 29.99 27.56 1aic n HIS 166 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1aic n THR 167 N -2.94 0.00 -3.33 1.59 -2.24 -1.17 -4.98 114.28 101.21 1aic n THR 167 Ca -0.06 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 1aic n THR 167 Cb 0.60 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 1aic n THR 167 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1aic s LEU 168 N 0.00 4.46 -0.44 3.22 0.20 -1.26 -1.62 118.68 123.23 1aic s LEU 168 Ca 0.07 -0.21 -0.10 0.00 0.69 0.00 0.00 54.13 54.57 1aic s LEU 168 Cb -0.00 -2.43 0.09 0.00 -0.43 0.00 0.00 46.19 43.41 1aic s LEU 168 CO 0.05 -0.42 0.31 1.51 -0.29 0.00 0.00 176.35 177.51 1aic s ASP 169 N 1.75 5.74 0.22 3.68 -4.77 -0.75 -4.85 116.67 117.70 1aic s ASP 169 Ca 0.14 -1.60 -0.08 0.00 -3.30 0.00 0.00 52.55 47.70 1aic s ASP 169 Cb -0.16 -2.03 0.26 0.00 -1.09 0.00 0.00 42.92 39.90 1aic s ASP 169 CO 0.12 -0.61 1.81 0.15 0.70 0.00 0.00 175.17 177.35 1aic h PHE 170 N 8.48 0.72 0.50 2.11 3.57 -1.95 -1.58 116.94 128.79 1aic h PHE 170 Ca -0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1aic h PHE 170 Cb 1.08 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1aic h PHE 170 CO 0.63 0.34 -0.32 -0.44 -2.23 0.00 0.00 178.31 176.28 1aic h ASP 171 N 0.71 -0.81 -0.42 0.41 3.32 -1.98 0.19 116.42 117.85 1aic h ASP 171 Ca 0.31 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1aic h ASP 171 Cb 0.20 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1aic h ASP 171 CO -0.19 -0.50 0.25 0.00 -1.72 0.00 0.00 179.24 177.08 1aic h ALA 172 N -0.35 1.62 -0.52 3.45 0.00 -1.92 -1.45 119.26 120.08 1aic h ALA 172 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1aic h ALA 172 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1aic h ALA 172 CO 0.05 0.32 0.15 1.25 0.00 0.00 0.00 179.25 181.02 1aic h LEU 173 N 0.60 0.77 -0.71 0.00 5.85 -0.23 -1.33 115.31 120.25 1aic h LEU 173 Ca 0.16 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1aic h LEU 173 Cb -0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1aic h LEU 173 CO -0.03 0.79 -0.64 -0.29 -0.34 0.00 0.00 178.44 177.93 1aic h ILE 174 N 0.72 1.46 0.00 4.05 2.10 -0.23 -2.25 117.51 123.36 1aic h ILE 174 Ca 0.17 -2.19 -0.13 0.00 1.08 0.00 0.00 64.86 63.78 1aic h ILE 174 Cb 0.30 2.18 -0.02 0.00 -1.09 0.00 0.00 36.82 38.19 1aic h ILE 174 CO -0.00 0.63 -0.63 0.78 -1.08 0.00 0.00 178.15 177.85 1aic h ASN 175 N 0.00 0.00 1.62 2.19 2.35 -1.03 -2.95 115.58 117.77 1aic h ASN 175 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1aic h ASN 175 Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1aic h ASN 175 CO 0.08 0.63 -0.38 0.77 -1.65 0.00 0.00 177.43 176.88 1aic h SER 176 N 0.00 0.00 -0.24 5.81 4.64 -0.68 -3.14 113.55 119.94 1aic h SER 176 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1aic h SER 176 Cb 1.35 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.38 1aic h SER 176 CO 0.08 0.33 0.12 0.18 -0.87 0.00 0.00 176.83 176.68 1aic n LEU 177 N -3.16 3.47 -4.77 5.97 4.77 -0.94 -4.77 117.00 117.57 1aic n LEU 177 Ca 0.02 -1.79 -0.30 0.00 -0.03 0.00 0.00 56.01 53.92 1aic n LEU 177 Cb 0.67 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1aic n LEU 177 CO 0.39 0.55 -0.26 0.20 -1.33 0.00 0.00 177.39 176.94 1aic s ASN 178 N 0.16 5.49 0.05 -1.43 0.01 -1.19 -4.39 114.94 113.64 1aic s ASN 178 Ca 0.16 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1aic s ASN 178 Cb 0.13 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.33 1aic s ASN 178 CO 0.04 0.15 0.00 1.21 -1.51 0.00 0.00 177.10 176.99 1aic n GLU 179 N 0.30 0.00 -3.11 -0.60 4.07 -1.26 -4.83 120.64 115.21 1aic n GLU 179 Ca -0.09 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 1aic n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 1aic n GLU 179 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aic n ALA 180 N 3.93 -1.84 0.00 4.31 0.00 -1.26 -4.73 120.51 120.91 1aic n ALA 180 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1aic n ALA 180 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1aic n ALA 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1aic n GLN 181 N -1.50 0.00 -1.79 0.00 1.13 -1.26 -4.70 117.38 109.25 1aic n GLN 181 Ca -0.15 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.50 1aic n GLN 181 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.67 1aic n GLN 181 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aic s ALA 182 N 0.00 3.58 0.00 -1.58 0.00 -1.26 -1.81 121.76 120.70 1aic s ALA 182 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1aic s ALA 182 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1aic s ALA 182 CO 0.00 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1aic n GLY 183 N 0.49 0.76 3.80 0.00 0.00 0.10 -4.99 105.19 105.36 1aic n GLY 183 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1aic n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aic s ASP 184 N -2.78 6.40 -0.07 1.61 1.01 -0.75 -4.62 116.67 117.47 1aic s ASP 184 Ca 0.00 1.87 -0.13 0.00 0.71 0.00 0.00 52.55 55.00 1aic s ASP 184 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1aic s ASP 184 CO 0.00 -0.74 0.33 -0.69 0.21 0.00 0.00 175.17 174.28 1aic s VAL 185 N -2.07 5.21 -0.14 -1.27 1.01 0.16 -0.17 120.40 123.14 1aic s VAL 185 Ca 0.66 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1aic s VAL 185 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1aic s VAL 185 CO 0.21 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.93 1aic s VAL 186 N -0.55 1.95 -0.22 2.92 1.01 0.53 -1.17 120.40 124.88 1aic s VAL 186 Ca 0.20 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1aic s VAL 186 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1aic s VAL 186 CO 0.09 0.53 0.37 -0.22 0.00 0.00 0.00 175.10 175.87 1aic s LEU 187 N 0.94 4.13 -0.12 3.92 0.20 -0.04 -0.69 118.68 127.02 1aic s LEU 187 Ca -0.05 0.44 -0.01 0.00 0.69 0.00 0.00 54.13 55.20 1aic s LEU 187 Cb -0.15 -2.46 -0.02 0.00 -0.43 0.00 0.00 46.19 43.13 1aic s LEU 187 CO -0.04 -0.09 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.48 1aic s PHE 188 N 1.44 2.88 -0.23 5.38 0.08 0.51 -4.56 117.98 123.48 1aic s PHE 188 Ca 0.17 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 1aic s PHE 188 Cb -0.15 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1aic s PHE 188 CO 0.08 -0.06 1.16 -1.01 -0.10 0.00 0.00 175.22 175.29 1aic s HIS 189 N 0.13 3.04 0.24 0.36 3.76 -1.26 -0.25 115.29 121.31 1aic s HIS 189 Ca -0.04 1.17 -0.06 0.00 -0.15 0.00 0.00 55.06 55.98 1aic s HIS 189 Cb -0.14 -3.52 0.29 0.00 1.11 0.00 0.00 32.58 30.32 1aic s HIS 189 CO 0.04 -1.15 1.88 0.78 -0.85 0.00 0.00 174.74 175.44 1aic h GLY 190 N 9.86 1.31 -3.92 -2.22 0.00 -1.29 -3.46 103.07 103.35 1aic h GLY 190 Ca -0.23 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1aic h GLY 190 CO 0.99 0.35 0.34 0.00 0.00 0.00 0.00 176.54 178.22 1aic n HIS 193 N -3.00 1.88 -3.47 0.00 -0.00 -1.26 -4.78 115.22 104.58 1aic n HIS 193 Ca -0.06 0.83 -0.38 0.00 0.46 0.00 0.00 57.72 58.57 1aic n HIS 193 Cb 0.60 -2.35 -0.09 0.00 -0.12 0.00 0.00 29.99 28.03 1aic n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1aic s ASN 194 N 3.49 6.22 0.00 0.26 2.47 -1.26 -0.56 114.94 125.55 1aic s ASN 194 Ca 1.03 0.24 0.24 0.00 0.42 0.00 0.00 52.86 54.78 1aic s ASN 194 Cb -1.29 -2.18 0.37 0.00 -1.45 0.00 0.00 41.25 36.71 1aic s ASN 194 CO 0.73 -0.10 1.37 -0.81 -3.72 0.00 0.00 177.10 174.57 1aic n PRO 195 N 4.96 2.42 -0.03 0.43 -0.04 -1.26 -2.65 135.00 138.84 1aic n PRO 195 Ca -0.11 -2.12 0.06 0.00 -0.04 0.00 0.00 63.50 61.30 1aic n PRO 195 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1aic n PRO 195 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1aic n THR 196 N 1.40 0.28 -0.93 0.52 -2.24 -1.00 -3.34 114.28 108.98 1aic n THR 196 Ca 0.18 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1aic n THR 196 Cb 0.59 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1aic n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aic n GLY 197 N 1.41 0.28 3.63 3.38 0.00 0.27 -4.53 105.19 109.63 1aic n GLY 197 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1aic n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aic s ILE 198 N -1.68 5.16 0.10 -0.61 1.01 -1.26 0.56 121.20 124.48 1aic s ILE 198 Ca 0.00 0.67 0.10 0.00 0.00 0.00 0.00 60.65 61.42 1aic s ILE 198 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1aic s ILE 198 CO 0.00 0.17 -0.26 -1.81 0.00 0.00 0.00 174.94 173.04 1aic s ASP 199 N 1.46 3.12 0.73 3.58 1.01 -1.26 -4.48 116.67 120.82 1aic s ASP 199 Ca 0.17 -0.69 -0.14 0.00 0.71 0.00 0.00 52.55 52.60 1aic s ASP 199 Cb -0.15 -0.22 0.04 0.00 1.01 0.00 0.00 42.92 43.59 1aic s ASP 199 CO 0.09 0.18 1.16 -2.84 0.21 0.00 0.00 175.17 173.96 1aic s PRO 200 N -1.81 2.27 0.66 8.23 0.02 -1.26 -4.99 135.00 138.13 1aic s PRO 200 Ca 0.12 1.55 -0.06 0.00 0.02 0.00 0.00 61.00 62.63 1aic s PRO 200 Cb -0.10 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.59 1aic s PRO 200 CO 0.05 -1.69 0.97 0.95 -0.33 0.00 0.00 177.00 176.94 1aic s THR 201 N -2.26 2.72 0.52 0.99 -4.23 -1.26 -4.80 115.64 107.31 1aic s THR 201 Ca 0.70 -0.21 0.17 0.00 -1.18 0.00 0.00 61.69 61.17 1aic s THR 201 Cb -0.24 -3.14 0.29 0.00 1.34 0.00 0.00 72.50 70.75 1aic s THR 201 CO 0.46 -0.14 2.13 0.25 -0.54 0.00 0.00 174.62 176.78 1aic h LEU 202 N -0.43 0.01 -0.56 4.79 7.12 -1.98 0.12 115.31 124.37 1aic h LEU 202 Ca -0.45 -0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.41 1aic h LEU 202 Cb 1.30 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1aic h LEU 202 CO 0.60 0.00 -0.51 -0.33 -0.13 0.00 0.00 178.44 178.07 1aic h GLU 203 N 0.01 0.56 -0.12 1.25 5.08 -1.99 -2.44 114.58 116.93 1aic h GLU 203 Ca 0.04 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1aic h GLU 203 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1aic h GLU 203 CO -0.00 0.94 -0.55 1.96 -1.00 0.00 0.00 179.01 180.35 1aic h GLN 204 N 0.44 0.36 -0.16 2.33 4.20 -1.62 -0.19 115.11 120.47 1aic h GLN 204 Ca 0.02 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1aic h GLN 204 Cb 1.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1aic h GLN 204 CO 0.10 0.82 -0.03 -1.49 -0.67 0.00 0.00 178.83 177.55 1aic h TRP 205 N 0.27 0.33 -0.18 2.96 -0.00 -0.73 -2.12 115.95 116.49 1aic h TRP 205 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 1aic h TRP 205 Cb 1.06 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.12 1aic h TRP 205 CO 0.03 0.56 0.03 1.96 -0.00 0.00 0.00 178.44 181.02 1aic h GLN 206 N 0.01 0.25 -0.07 0.49 4.20 -1.30 0.74 115.11 119.42 1aic h GLN 206 Ca 0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1aic h GLN 206 Cb 0.45 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1aic h GLN 206 CO 0.01 0.25 -0.09 1.15 -0.67 0.00 0.00 178.83 179.48 1aic h THR 207 N 0.25 1.39 -0.25 -0.54 2.02 -0.91 -2.44 112.91 112.43 1aic h THR 207 Ca 0.06 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 1aic h THR 207 Cb 0.13 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1aic h THR 207 CO -0.00 0.36 0.13 -0.07 0.37 0.00 0.00 175.52 176.31 1aic h LEU 208 N -0.26 0.29 -0.31 2.58 3.38 -0.70 0.85 115.31 121.14 1aic h LEU 208 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1aic h LEU 208 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1aic h LEU 208 CO 0.02 0.25 0.10 0.00 0.09 0.00 0.00 178.44 178.90 1aic h ALA 209 N 1.80 0.40 0.11 1.53 0.00 -0.79 0.44 119.26 122.77 1aic h ALA 209 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1aic h ALA 209 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1aic h ALA 209 CO -0.01 0.04 -0.05 1.96 0.00 0.00 0.00 179.25 181.18 1aic h GLN 210 N 0.34 -0.15 -0.16 0.00 4.20 -0.85 -1.50 115.11 116.99 1aic h GLN 210 Ca 0.10 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1aic h GLN 210 Cb 0.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1aic h GLN 210 CO -0.00 0.16 -0.02 1.25 -0.67 0.00 0.00 178.83 179.54 1aic h LEU 211 N -0.46 0.21 -0.01 1.46 5.85 -0.75 -1.90 115.31 119.71 1aic h LEU 211 Ca -0.02 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1aic h LEU 211 Cb 0.37 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1aic h LEU 211 CO 0.03 0.28 0.00 -1.28 -0.34 0.00 0.00 178.44 177.13 1aic h SER 212 N 0.23 0.02 0.30 1.25 0.87 0.61 -2.00 113.55 114.83 1aic h SER 212 Ca 0.05 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1aic h SER 212 Cb 0.20 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1aic h SER 212 CO 0.01 0.29 -0.20 -0.37 -0.53 0.00 0.00 176.83 176.03 1aic h VAL 213 N -0.25 0.93 -0.33 2.23 -1.51 -1.00 -2.55 116.25 113.77 1aic h VAL 213 Ca 0.00 -0.73 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 1aic h VAL 213 Cb 0.28 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1aic h VAL 213 CO 0.00 0.19 0.17 -0.08 -1.23 0.00 0.00 177.57 176.62 1aic h GLU 214 N 0.00 0.47 0.00 5.19 4.81 -0.95 -3.28 114.58 120.82 1aic h GLU 214 Ca -0.00 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1aic h GLU 214 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1aic h GLU 214 CO 0.03 0.43 -0.46 0.87 -0.73 0.00 0.00 179.01 179.14 1aic h LYS 215 N 0.41 0.00 -0.44 1.92 6.56 -1.25 -3.49 116.57 120.27 1aic h LYS 215 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1aic h LYS 215 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1aic h LYS 215 CO -0.02 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.01 1aic n GLY 216 N 1.19 0.93 3.90 3.86 0.00 -0.97 -4.01 105.19 110.08 1aic n GLY 216 Ca 0.01 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 1aic n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aic s TRP 217 N -2.44 3.52 -0.33 1.61 0.51 -1.19 0.01 118.94 120.63 1aic s TRP 217 Ca 0.00 0.88 -0.10 0.00 -2.12 0.00 0.00 56.10 54.76 1aic s TRP 217 Cb 0.00 -2.33 0.00 0.00 -0.81 0.00 0.00 33.47 30.33 1aic s TRP 217 CO 0.00 -0.17 0.17 -1.17 -0.51 0.00 0.00 176.95 175.27 1aic s LEU 218 N -4.31 4.33 0.20 2.99 2.96 0.76 -4.87 118.68 120.74 1aic s LEU 218 Ca 0.48 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 1aic s LEU 218 Cb -0.10 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 1aic s LEU 218 CO 0.39 -0.26 1.20 -2.16 -1.32 0.00 0.00 176.35 174.20 1aic s PRO 219 N 1.60 4.49 -0.22 0.98 0.04 -1.26 -0.35 135.00 140.29 1aic s PRO 219 Ca 0.04 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 1aic s PRO 219 Cb -0.18 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1aic s PRO 219 CO 0.07 -0.07 -0.04 -1.17 0.04 0.00 0.00 177.00 175.82 1aic s LEU 220 N -0.41 2.17 -0.16 -3.56 0.20 0.14 -2.07 118.68 114.98 1aic s LEU 220 Ca 0.52 -1.03 -0.21 0.00 0.69 0.00 0.00 54.13 54.11 1aic s LEU 220 Cb -0.33 -1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 1aic s LEU 220 CO 0.38 -0.24 0.61 -0.36 -0.29 0.00 0.00 176.35 176.45 1aic s PHE 221 N 1.51 3.43 -0.21 5.38 0.40 -0.56 -0.36 117.98 127.57 1aic s PHE 221 Ca -0.04 0.96 -0.15 0.00 -0.60 0.00 0.00 56.93 57.10 1aic s PHE 221 Cb -0.18 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 1aic s PHE 221 CO -0.07 -0.07 0.38 0.34 0.70 0.00 0.00 175.22 176.50 1aic s ASP 222 N 1.03 6.39 -0.58 1.36 -1.08 0.66 -1.44 116.67 123.01 1aic s ASP 222 Ca 0.29 0.46 0.05 0.00 -0.52 0.00 0.00 52.55 52.84 1aic s ASP 222 Cb -0.16 -2.22 0.19 0.00 -1.46 0.00 0.00 42.92 39.27 1aic s ASP 222 CO 0.12 -0.08 0.50 0.33 0.52 0.00 0.00 175.17 176.55 1aic n PHE 223 N 4.55 1.70 1.10 -5.34 -0.00 0.74 -0.76 117.46 119.46 1aic n PHE 223 Ca -0.09 -3.91 0.12 0.00 -0.00 0.00 0.00 57.45 53.57 1aic n PHE 223 Cb 0.51 -0.32 0.20 0.00 -0.00 0.00 0.00 39.48 39.86 1aic n PHE 223 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1aic n ALA 224 N 1.97 3.55 -2.36 3.13 0.00 -1.26 -2.36 120.51 123.17 1aic n ALA 224 Ca 0.25 -0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.26 1aic n ALA 224 Cb 0.42 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.88 1aic n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aic n TYR 225 N -0.88 0.00 -1.68 0.00 4.01 -1.26 -4.54 117.16 112.81 1aic n TYR 225 Ca 0.09 -0.45 -0.48 0.00 -0.16 0.00 0.00 57.90 56.90 1aic n TYR 225 Cb 0.36 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1aic n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1aic n GLN 226 N 0.33 2.14 0.00 -0.72 7.27 -1.26 -1.52 117.38 123.61 1aic n GLN 226 Ca 0.06 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.90 1aic n GLN 226 Cb 1.04 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 31.10 1aic n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aic n GLY 227 N 4.09 1.32 0.38 1.69 0.00 -1.25 -4.77 105.19 106.65 1aic n GLY 227 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1aic n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1aic n PHE 228 N -0.94 0.00 0.00 1.61 3.01 -0.58 -4.23 117.46 116.34 1aic n PHE 228 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1aic n PHE 228 Cb 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1aic n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aic n ALA 229 N -0.36 0.00 -0.03 4.37 0.00 -1.26 -3.33 120.51 119.90 1aic n ALA 229 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1aic n ALA 229 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1aic n ALA 229 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1aic n ARG 230 N -1.87 3.54 0.00 0.00 1.85 -1.26 -4.81 116.66 114.12 1aic n ARG 230 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1aic n ARG 230 Cb 0.00 -0.31 0.00 0.00 -1.05 0.00 0.00 32.46 31.10 1aic n ARG 230 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aic n GLY 231 N 0.51 0.72 0.13 2.89 0.00 -1.26 -4.89 105.19 103.30 1aic n GLY 231 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1aic n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aic h LEU 233 N 0.00 0.34 0.06 0.99 4.07 -1.89 -1.38 115.31 117.50 1aic h LEU 233 Ca 0.00 -0.26 -0.18 0.00 0.08 0.00 0.00 57.88 57.52 1aic h LEU 233 Cb 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1aic h LEU 233 CO 0.00 0.52 -0.91 -0.33 -1.08 0.00 0.00 178.44 176.64 1aic h GLU 234 N 0.15 0.13 -0.62 1.13 4.39 -1.95 -3.29 114.58 114.53 1aic h GLU 234 Ca 0.06 -0.22 0.13 0.00 0.34 0.00 0.00 59.36 59.67 1aic h GLU 234 Cb 0.33 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 1aic h GLU 234 CO 0.00 1.11 -0.05 0.93 -1.16 0.00 0.00 179.01 179.84 1aic h GLU 235 N -0.66 0.07 0.00 2.33 3.07 -1.89 0.54 114.58 118.04 1aic h GLU 235 Ca -0.21 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1aic h GLU 235 Cb 1.43 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 1aic h GLU 235 CO -0.01 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.40 1aic n ASP 236 N -5.33 0.38 -0.91 1.42 9.92 -0.52 -1.76 116.55 119.75 1aic n ASP 236 Ca 0.08 0.64 0.10 0.00 -0.53 0.00 0.00 54.79 55.09 1aic n ASP 236 Cb 0.35 -0.71 0.15 0.00 -0.64 0.00 0.00 41.12 40.27 1aic n ASP 236 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aic n ALA 237 N -1.68 2.42 -0.25 2.24 0.00 0.18 -4.48 120.51 118.94 1aic n ALA 237 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 53.44 52.66 1aic n ALA 237 Cb 0.09 -0.71 0.32 0.00 0.00 0.00 0.00 19.45 19.15 1aic n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aic h GLU 238 N 3.81 0.81 0.52 0.00 5.08 -1.31 0.40 114.58 123.90 1aic h GLU 238 Ca 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1aic h GLU 238 Cb 0.86 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1aic h GLU 238 CO 0.00 0.54 -0.25 0.78 -1.00 0.00 0.00 179.01 179.07 1aic h GLY 239 N 0.83 -0.73 0.68 -3.84 0.00 -1.81 0.07 103.07 98.27 1aic h GLY 239 Ca 0.38 0.27 0.03 0.00 0.00 0.00 0.00 47.33 48.01 1aic h GLY 239 CO -0.15 -0.27 -0.01 -2.00 0.00 0.00 0.00 176.54 174.12 1aic h LEU 240 N -0.75 -0.09 -1.99 3.11 5.85 -1.78 -1.33 115.31 118.33 1aic h LEU 240 Ca -0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1aic h LEU 240 Cb 0.56 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1aic h LEU 240 CO 0.12 -0.02 0.02 0.03 -0.34 0.00 0.00 178.44 178.25 1aic h ARG 241 N 0.06 0.02 -0.30 1.25 3.08 -0.87 0.13 114.38 117.75 1aic h ARG 241 Ca 0.09 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1aic h ARG 241 Cb 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1aic h ARG 241 CO -0.16 0.01 -0.49 0.00 -1.07 0.00 0.00 179.97 178.26 1aic h ALA 242 N 1.98 0.47 -0.46 0.04 0.00 0.10 -2.60 119.26 118.79 1aic h ALA 242 Ca 0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1aic h ALA 242 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1aic h ALA 242 CO -0.00 0.64 -0.24 0.74 0.00 0.00 0.00 179.25 180.39 1aic h PHE 243 N 0.65 1.11 0.00 0.00 -1.00 -0.25 -3.12 116.94 114.33 1aic h PHE 243 Ca 0.03 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1aic h PHE 243 Cb 1.09 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1aic h PHE 243 CO 0.07 1.09 0.00 0.00 -1.61 0.00 0.00 178.31 177.87 1aic h ALA 244 N 0.89 1.00 -0.09 2.45 0.00 -0.78 0.17 119.26 122.90 1aic h ALA 244 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1aic h ALA 244 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1aic h ALA 244 CO 0.07 0.00 -0.78 0.00 0.00 0.00 0.00 179.25 178.54 1aic h ALA 245 N 2.04 0.46 0.00 0.00 0.00 -1.40 -3.35 119.26 117.02 1aic h ALA 245 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1aic h ALA 245 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1aic h ALA 245 CO 0.00 0.74 -2.00 -1.33 0.00 0.00 0.00 179.25 176.66 1aic n MET 246 N -3.86 0.65 -3.55 0.00 2.81 -0.54 -4.97 117.12 107.66 1aic n MET 246 Ca -0.06 -0.18 -0.30 0.00 -1.81 0.00 0.00 57.70 55.35 1aic n MET 246 Cb 0.74 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.70 1aic n MET 246 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1aic s HIS 247 N -3.39 3.46 -0.01 2.03 3.76 0.47 -4.96 115.29 116.66 1aic s HIS 247 Ca -0.08 0.61 -0.17 0.00 -0.15 0.00 0.00 55.06 55.27 1aic s HIS 247 Cb 0.13 -2.06 -0.33 0.00 1.11 0.00 0.00 32.58 31.43 1aic s HIS 247 CO 0.87 0.34 0.89 0.87 -0.85 0.00 0.00 174.74 176.86 1aic h LYS 248 N 2.40 0.43 -5.21 1.40 1.79 -1.90 -3.47 116.57 112.01 1aic h LYS 248 Ca -0.47 -0.73 -0.43 0.00 -2.18 0.00 0.00 60.65 56.84 1aic h LYS 248 Cb 1.17 0.27 -0.25 0.00 -1.58 0.00 0.00 32.23 31.85 1aic h LYS 248 CO 0.70 1.35 -0.79 -1.21 -1.08 0.00 0.00 179.45 178.42 1aic s GLU 249 N -2.53 0.90 -0.23 3.15 2.02 -1.26 -3.01 118.70 117.73 1aic s GLU 249 Ca -0.12 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 53.90 1aic s GLU 249 Cb 0.03 -0.89 0.13 0.00 0.10 0.00 0.00 34.13 33.51 1aic s GLU 249 CO 0.89 0.22 1.07 -1.17 0.02 0.00 0.00 175.26 176.28 1aic s LEU 250 N -1.03 -0.37 0.07 1.80 0.20 -0.96 -4.61 118.68 113.78 1aic s LEU 250 Ca 0.01 0.57 0.09 0.00 0.69 0.00 0.00 54.13 55.49 1aic s LEU 250 Cb -0.07 1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 47.43 1aic s LEU 250 CO 0.01 -0.21 -0.23 -0.63 -0.29 0.00 0.00 176.35 174.99 1aic s ILE 251 N -0.40 1.88 -0.03 6.68 1.01 -0.88 -1.02 121.20 128.45 1aic s ILE 251 Ca 0.02 -1.40 0.01 0.00 0.00 0.00 0.00 60.65 59.28 1aic s ILE 251 Cb -0.03 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1aic s ILE 251 CO -0.04 0.17 -0.03 -0.69 0.00 0.00 0.00 174.94 174.35 1aic s VAL 252 N -0.91 0.40 -0.22 2.92 1.01 -0.16 -1.50 120.40 121.94 1aic s VAL 252 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1aic s VAL 252 Cb -0.10 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.91 1aic s VAL 252 CO 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 175.10 175.17 1aic s ALA 253 N 0.66 2.36 0.30 5.51 0.00 -0.52 -0.31 121.76 129.75 1aic s ALA 253 Ca -0.08 -1.48 0.11 0.00 0.00 0.00 0.00 51.96 50.51 1aic s ALA 253 Cb -0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1aic s ALA 253 CO -0.00 -0.88 -0.16 -1.54 0.00 0.00 0.00 175.76 173.18 1aic s SER 254 N 1.22 3.69 0.04 0.00 1.04 -0.75 -0.18 113.70 118.75 1aic s SER 254 Ca -0.03 -1.05 0.05 0.00 0.48 0.00 0.00 55.95 55.40 1aic s SER 254 Cb -0.17 -0.35 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 1aic s SER 254 CO -0.08 -0.02 -0.14 -0.55 0.98 0.00 0.00 173.24 173.42 1aic s SER 255 N -3.55 1.70 -0.10 7.02 0.15 -0.99 -1.20 113.70 116.73 1aic s SER 255 Ca 0.31 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.65 1aic s SER 255 Cb -0.03 -0.12 0.45 0.00 -1.71 0.00 0.00 66.02 64.61 1aic s SER 255 CO 0.16 0.05 1.37 -1.22 1.20 0.00 0.00 173.24 174.80 1aic n TYR 256 N 1.95 0.80 -0.30 3.44 4.01 -0.28 -4.66 117.16 122.12 1aic n TYR 256 Ca -0.18 -0.69 -0.01 0.00 -0.16 0.00 0.00 57.90 56.86 1aic n TYR 256 Cb 0.55 -0.19 0.11 0.00 -0.31 0.00 0.00 39.34 39.50 1aic n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1aic h SER 257 N 2.11 0.84 0.00 7.72 0.02 -1.84 -3.16 113.55 119.24 1aic h SER 257 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1aic h SER 257 Cb 1.15 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 1aic h SER 257 CO 0.13 0.57 -1.91 1.41 -1.14 0.00 0.00 176.83 175.89 1aic n HIS 258 N -4.60 0.51 1.35 3.45 8.25 -1.26 -2.09 115.22 120.83 1aic n HIS 258 Ca 0.10 0.22 0.11 0.00 -0.26 0.00 0.00 57.72 57.89 1aic n HIS 258 Cb 0.11 -1.05 0.65 0.00 1.12 0.00 0.00 29.99 30.82 1aic n HIS 258 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1aic n ASN 259 N -4.34 0.00 0.00 0.41 2.04 -1.26 -2.30 115.26 109.81 1aic n ASN 259 Ca -0.44 -0.63 0.00 0.00 -0.44 0.00 0.00 54.58 53.08 1aic n ASN 259 Cb 0.79 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 38.01 1aic n ASN 259 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1aic n PHE 260 N -1.03 0.00 -3.72 -2.53 3.72 -1.19 -4.85 117.46 107.85 1aic n PHE 260 Ca 0.16 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.30 1aic n PHE 260 Cb 0.09 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1aic n PHE 260 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aic n GLY 261 N 0.10 -0.50 1.32 1.37 0.00 -0.97 -4.66 105.19 101.84 1aic n GLY 261 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1aic n GLY 261 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aic n LEU 262 N -4.80 3.99 -0.30 0.99 7.94 -0.89 -4.78 117.00 119.15 1aic n LEU 262 Ca -0.01 -4.25 -0.05 0.00 -1.11 0.00 0.00 56.01 50.59 1aic n LEU 262 Cb 0.56 -0.48 -0.00 0.00 0.53 0.00 0.00 43.42 44.02 1aic n LEU 262 CO 0.69 1.68 0.58 1.88 -1.11 0.00 0.00 177.39 181.11 1aic h TYR 263 N 1.51 -1.20 -0.35 1.96 0.05 -1.84 -1.58 116.97 115.52 1aic h TYR 263 Ca 0.20 0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.08 1aic h TYR 263 Cb 1.30 0.64 0.00 0.00 1.01 0.00 0.00 36.73 39.68 1aic h TYR 263 CO 0.86 -0.40 0.00 0.27 -1.05 0.00 0.00 178.16 177.84 1aic n ASN 264 N -5.42 1.93 -0.96 3.88 0.23 -1.26 -3.46 115.26 110.20 1aic n ASN 264 Ca 0.06 -1.98 0.11 0.00 -0.53 0.00 0.00 54.58 52.25 1aic n ASN 264 Cb 0.36 -0.23 0.12 0.00 -2.08 0.00 0.00 39.78 37.95 1aic n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1aic n GLU 265 N 0.55 2.24 -3.01 -3.83 -0.58 -0.59 -5.02 120.64 110.40 1aic n GLU 265 Ca 0.13 -1.96 -0.13 0.00 -0.42 0.00 0.00 57.16 54.77 1aic n GLU 265 Cb 0.31 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1aic n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aic n ARG 266 N 1.32 -2.32 -3.98 3.49 5.12 -1.22 -4.30 116.66 114.76 1aic n ARG 266 Ca 0.15 1.98 -0.30 0.00 -1.93 0.00 0.00 57.85 57.75 1aic n ARG 266 Cb 0.58 -4.46 -0.16 0.00 -1.16 0.00 0.00 32.46 27.25 1aic n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aic s VAL 267 N -2.07 1.53 0.32 1.55 1.01 -1.26 -3.36 120.40 118.12 1aic s VAL 267 Ca 0.22 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1aic s VAL 267 Cb -0.05 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1aic s VAL 267 CO 0.74 0.25 0.81 -0.83 0.00 0.00 0.00 175.10 176.07 1aic s GLY 268 N 1.46 0.17 0.10 4.51 0.00 -1.08 -1.12 107.32 111.35 1aic s GLY 268 Ca 0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 1aic s GLY 268 CO -0.09 0.06 0.12 0.00 0.00 0.00 0.00 173.10 173.19 1aic s ALA 269 N -2.83 0.27 -0.18 3.20 0.00 -0.34 -1.49 121.76 120.39 1aic s ALA 269 Ca 0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1aic s ALA 269 Cb -0.05 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1aic s ALA 269 CO 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 175.76 175.33 1aic s THR 271 N 1.66 4.02 -0.23 0.00 2.01 0.57 -1.36 115.64 122.32 1aic s THR 271 Ca -0.01 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1aic s THR 271 Cb -0.16 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1aic s THR 271 CO -0.07 0.54 0.03 -0.22 -0.69 0.00 0.00 174.62 174.20 1aic s LEU 272 N -0.13 3.28 -0.05 4.42 0.20 -0.51 -0.98 118.68 124.90 1aic s LEU 272 Ca 0.03 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 54.66 1aic s LEU 272 Cb -0.13 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1aic s LEU 272 CO 0.02 -0.00 -0.20 0.68 -0.29 0.00 0.00 176.35 176.55 1aic s VAL 273 N 1.42 2.49 0.39 1.68 -7.23 -0.19 -1.50 120.40 117.46 1aic s VAL 273 Ca 0.05 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 1aic s VAL 273 Cb -0.15 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1aic s VAL 273 CO 0.02 0.57 0.06 0.00 -0.31 0.00 0.00 175.10 175.44 1aic n ALA 274 N 2.69 0.42 0.48 1.32 0.00 -0.89 -2.27 120.51 122.25 1aic n ALA 274 Ca -0.17 -1.84 0.13 0.00 0.00 0.00 0.00 53.44 51.56 1aic n ALA 274 Cb 0.52 1.11 0.40 0.00 0.00 0.00 0.00 19.45 21.48 1aic n ALA 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aic h ALA 275 N 1.38 1.00 -2.74 0.00 0.00 -1.83 -3.44 119.26 113.63 1aic h ALA 275 Ca -0.32 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1aic h ALA 275 Cb 1.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1aic h ALA 275 CO 0.51 0.00 0.33 0.16 0.00 0.00 0.00 179.25 180.25 1aic s ASP 276 N -4.89 -0.25 0.17 0.00 1.47 -1.26 -5.02 116.67 106.89 1aic s ASP 276 Ca 0.08 -0.48 -0.19 0.00 1.18 0.00 0.00 52.55 53.14 1aic s ASP 276 Cb 0.10 0.62 0.10 0.00 -0.34 0.00 0.00 42.92 43.41 1aic s ASP 276 CO 0.57 -1.14 1.64 -1.28 0.68 0.00 0.00 175.17 175.63 1aic h SER 277 N 2.00 -0.65 -0.48 2.11 0.87 -1.75 -2.23 113.55 113.42 1aic h SER 277 Ca -0.22 0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1aic h SER 277 Cb 1.25 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.54 1aic h SER 277 CO 0.25 -0.22 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.22 1aic h GLU 278 N -0.11 0.92 -0.58 2.24 4.81 -1.96 -1.81 114.58 118.09 1aic h GLU 278 Ca 0.20 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1aic h GLU 278 Cb 0.42 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1aic h GLU 278 CO -0.48 0.93 -0.04 1.15 -0.73 0.00 0.00 179.01 179.84 1aic h THR 279 N 0.84 1.27 -0.07 0.32 2.02 -1.93 -2.31 112.91 113.06 1aic h THR 279 Ca 0.15 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1aic h THR 279 Cb 0.53 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1aic h THR 279 CO 0.03 0.43 -0.46 -0.37 0.37 0.00 0.00 175.52 175.52 1aic h VAL 280 N 0.95 1.33 -0.02 3.16 -1.51 -1.04 0.43 116.25 119.56 1aic h VAL 280 Ca 0.16 -1.62 -0.13 0.00 -1.23 0.00 0.00 66.70 63.88 1aic h VAL 280 Cb 0.60 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 1aic h VAL 280 CO 0.04 0.48 -0.58 0.44 -1.23 0.00 0.00 177.57 176.71 1aic h ASP 281 N 0.13 0.06 0.16 4.19 5.19 -1.14 0.25 116.42 125.26 1aic h ASP 281 Ca 0.01 -0.03 -0.26 0.00 -0.62 0.00 0.00 57.03 56.12 1aic h ASP 281 Cb 0.86 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.37 1aic h ASP 281 CO 0.07 0.63 -1.22 -0.09 -3.12 0.00 0.00 179.24 175.50 1aic h ARG 282 N 0.04 0.34 -0.40 3.56 2.43 -1.17 -2.86 114.38 116.32 1aic h ARG 282 Ca -0.01 -0.58 -0.08 0.00 -0.81 0.00 0.00 59.98 58.50 1aic h ARG 282 Cb 1.04 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1aic h ARG 282 CO 0.08 1.28 -0.08 0.00 -1.51 0.00 0.00 179.97 179.74 1aic h ALA 283 N 0.06 1.11 0.00 2.80 0.00 -0.96 -3.20 119.26 119.06 1aic h ALA 283 Ca -0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1aic h ALA 283 Cb 1.83 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1aic h ALA 283 CO 0.15 0.56 -0.45 0.35 0.00 0.00 0.00 179.25 179.86 1aic h PHE 284 N 0.64 0.00 -0.62 0.00 3.57 -0.53 -2.35 116.94 117.65 1aic h PHE 284 Ca 0.12 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1aic h PHE 284 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1aic h PHE 284 CO 0.02 0.45 0.04 0.66 -2.23 0.00 0.00 178.31 177.25 1aic h SER 285 N 0.00 1.02 0.42 0.41 4.64 -1.50 0.20 113.55 118.74 1aic h SER 285 Ca -0.00 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1aic h SER 285 Cb 0.84 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1aic h SER 285 CO 0.06 1.05 -0.49 1.56 -0.87 0.00 0.00 176.83 178.14 1aic h GLN 286 N 0.97 0.09 -0.88 4.77 1.08 -1.54 -0.43 115.11 119.17 1aic h GLN 286 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1aic h GLN 286 Cb 0.51 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1aic h GLN 286 CO 0.02 0.56 0.57 1.98 -0.95 0.00 0.00 178.83 181.01 1aic h MET 287 N 0.07 1.17 -0.25 1.46 4.05 -0.67 -1.99 114.93 118.77 1aic h MET 287 Ca 0.00 -0.08 -0.16 0.00 -0.28 0.00 0.00 59.70 59.18 1aic h MET 287 Cb 0.89 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1aic h MET 287 CO 0.07 0.79 -0.50 0.87 0.23 0.00 0.00 176.91 178.37 1aic h LYS 288 N 1.20 0.69 -0.31 0.39 1.57 -0.21 -0.99 116.57 118.91 1aic h LYS 288 Ca 0.32 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1aic h LYS 288 Cb -0.11 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1aic h LYS 288 CO -0.07 1.02 0.21 0.00 -0.57 0.00 0.00 179.45 180.05 1aic h ALA 289 N 0.90 2.03 0.08 3.86 0.00 -0.77 -0.19 119.26 125.18 1aic h ALA 289 Ca 0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1aic h ALA 289 Cb 1.06 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1aic h ALA 289 CO 0.10 -0.09 -1.13 0.00 0.00 0.00 0.00 179.25 178.13 1aic h ALA 290 N 1.83 0.15 0.10 0.00 0.00 -0.47 -3.10 119.26 117.79 1aic h ALA 290 Ca 0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1aic h ALA 290 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1aic h ALA 290 CO -0.02 0.80 -0.05 0.82 0.00 0.00 0.00 179.25 180.80 1aic h ILE 291 N 0.21 0.98 -0.61 0.00 2.04 -0.85 -3.20 117.51 116.08 1aic h ILE 291 Ca -0.14 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 65.54 1aic h ILE 291 Cb 1.81 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 1aic h ILE 291 CO 0.20 0.08 0.41 -0.09 0.00 0.00 0.00 178.15 178.75 1aic h ARG 292 N -0.28 0.29 -0.43 2.37 9.65 -1.09 0.48 114.38 125.36 1aic h ARG 292 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1aic h ARG 292 Cb 0.23 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1aic h ARG 292 CO 0.02 0.19 0.00 0.00 2.80 0.00 0.00 179.97 182.98 1aic n ALA 293 N -2.55 2.47 -0.61 2.80 0.00 -1.17 -3.71 120.51 117.74 1aic n ALA 293 Ca 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1aic n ALA 293 Cb 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1aic n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aic n ASN 294 N 0.68 0.00 0.00 0.00 2.85 0.09 -4.94 115.26 113.95 1aic n ASN 294 Ca 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1aic n ASN 294 Cb 0.36 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1aic n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aic n TYR 295 N -1.67 0.00 0.00 1.20 0.18 -0.80 -5.04 117.16 111.03 1aic n TYR 295 Ca 0.00 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1aic n TYR 295 Cb 0.00 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 1aic n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1aic n SER 296 N -0.06 0.00 -3.61 9.48 2.88 -0.97 -4.85 113.62 116.48 1aic n SER 296 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1aic n SER 296 Cb 0.07 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 1aic n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aic s ASN 297 N 0.00 -0.41 0.33 -3.46 2.20 -1.26 -4.35 114.94 107.99 1aic s ASN 297 Ca 0.00 -0.28 -0.02 0.00 -0.94 0.00 0.00 52.86 51.62 1aic s ASN 297 Cb 0.00 0.63 -0.04 0.00 -2.00 0.00 0.00 41.25 39.84 1aic s ASN 297 CO 0.00 -1.09 0.57 -2.16 -2.94 0.00 0.00 177.10 171.49 1aic s PRO 298 N -3.82 3.55 -0.28 3.55 0.05 -1.26 -5.02 135.00 131.76 1aic s PRO 298 Ca 0.05 -0.14 -0.36 0.00 0.05 0.00 0.00 61.00 60.61 1aic s PRO 298 Cb -0.02 -2.63 -0.12 0.00 0.05 0.00 0.00 34.50 31.78 1aic s PRO 298 CO -0.05 0.14 2.05 -2.30 0.05 0.00 0.00 177.00 176.89 1aic n PRO 299 N -1.47 1.32 0.07 0.56 -0.02 -1.26 -4.83 135.00 129.37 1aic n PRO 299 Ca -0.03 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1aic n PRO 299 Cb 0.55 -2.45 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1aic n PRO 299 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aic h ALA 300 N 10.95 0.66 0.78 3.55 0.00 -1.95 -3.37 119.26 129.87 1aic h ALA 300 Ca -0.35 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 1aic h ALA 300 Cb 1.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1aic h ALA 300 CO 0.99 0.79 -0.37 1.25 0.00 0.00 0.00 179.25 181.91 1aic h HIS 301 N 0.21 -0.97 -0.90 0.00 -0.00 -1.91 0.50 115.15 112.09 1aic h HIS 301 Ca -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1aic h HIS 301 Cb 1.29 0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 28.97 1aic h HIS 301 CO 0.03 -0.59 0.53 0.78 -0.00 0.00 0.00 177.93 178.69 1aic h GLY 302 N -1.11 1.32 2.00 5.26 0.00 -1.77 -1.56 103.07 107.21 1aic h GLY 302 Ca -0.11 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1aic h GLY 302 CO 0.17 0.54 -0.64 0.00 0.00 0.00 0.00 176.54 176.61 1aic h ALA 303 N 1.34 0.80 -0.55 3.60 0.00 -1.69 -2.08 119.26 120.67 1aic h ALA 303 Ca 0.32 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1aic h ALA 303 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1aic h ALA 303 CO -0.06 0.80 0.12 0.77 0.00 0.00 0.00 179.25 180.88 1aic h SER 304 N 0.00 0.81 -0.04 0.00 0.02 -0.30 -2.28 113.55 111.77 1aic h SER 304 Ca -0.01 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1aic h SER 304 Cb 1.24 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1aic h SER 304 CO 0.08 0.80 0.01 0.58 -1.14 0.00 0.00 176.83 177.17 1aic h VAL 305 N 0.83 1.17 -0.82 2.27 2.07 -0.74 -1.55 116.25 119.48 1aic h VAL 305 Ca 0.18 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1aic h VAL 305 Cb 0.32 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1aic h VAL 305 CO 0.00 0.14 0.54 0.58 0.02 0.00 0.00 177.57 178.85 1aic h VAL 306 N -0.15 1.16 -0.19 2.57 2.07 -1.23 -2.10 116.25 118.39 1aic h VAL 306 Ca 0.01 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 66.97 1aic h VAL 306 Cb 0.22 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1aic h VAL 306 CO -0.00 0.19 -0.68 0.00 0.02 0.00 0.00 177.57 177.10 1aic h ALA 307 N 1.51 0.44 0.39 1.67 0.00 -1.26 -1.92 119.26 120.09 1aic h ALA 307 Ca 0.32 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1aic h ALA 307 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1aic h ALA 307 CO -0.09 0.69 -0.19 1.15 0.00 0.00 0.00 179.25 180.82 1aic h THR 308 N 0.53 0.63 0.06 0.00 2.02 -0.83 -1.86 112.91 113.46 1aic h THR 308 Ca -0.02 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 66.98 1aic h THR 308 Cb 1.28 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 1aic h THR 308 CO 0.14 0.04 -0.41 0.40 0.37 0.00 0.00 175.52 176.06 1aic h ILE 309 N -0.63 0.18 0.00 3.11 2.04 -1.40 -1.73 117.51 119.07 1aic h ILE 309 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1aic h ILE 309 Cb 0.46 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1aic h ILE 309 CO 0.09 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.17 1aic h LEU 310 N -0.60 0.00 -1.38 1.44 3.38 -1.40 -2.31 115.31 114.43 1aic h LEU 310 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1aic h LEU 310 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1aic h LEU 310 CO -0.27 0.00 -0.25 -1.54 0.09 0.00 0.00 178.44 176.47 1aic n SER 311 N -2.63 2.37 -4.16 -0.43 3.41 -0.70 -4.81 113.62 106.67 1aic n SER 311 Ca 0.01 -1.68 -0.34 0.00 -0.26 0.00 0.00 58.87 56.59 1aic n SER 311 Cb 0.22 0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 1aic n SER 311 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1aic s ASN 312 N -2.14 4.63 0.43 4.04 0.02 -0.71 -5.01 114.94 116.20 1aic s ASN 312 Ca 0.21 -1.19 0.17 0.00 -1.02 0.00 0.00 52.86 51.03 1aic s ASN 312 Cb 0.18 -1.66 1.08 0.00 0.02 0.00 0.00 41.25 40.86 1aic s ASN 312 CO 0.42 -0.21 1.91 0.44 0.02 0.00 0.00 177.10 179.68 1aic h ASP 313 N 7.96 0.38 0.50 -1.22 3.32 -1.87 0.15 116.42 125.63 1aic h ASP 313 Ca -0.24 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1aic h ASP 313 Cb 1.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1aic h ASP 313 CO 0.53 0.19 -0.24 0.00 -1.72 0.00 0.00 179.24 177.99 1aic h ALA 314 N 1.64 -0.68 -0.41 3.45 0.00 -1.95 -2.53 119.26 118.79 1aic h ALA 314 Ca 0.39 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1aic h ALA 314 Cb 0.93 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1aic h ALA 314 CO -0.12 -0.87 -0.23 -0.07 0.00 0.00 0.00 179.25 177.95 1aic h LEU 315 N -0.69 0.85 -1.18 0.00 3.38 -1.42 -2.14 115.31 114.12 1aic h LEU 315 Ca -0.07 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1aic h LEU 315 Cb 0.53 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1aic h LEU 315 CO 0.11 1.05 0.54 -0.09 0.09 0.00 0.00 178.44 180.14 1aic h ARG 316 N 0.72 1.09 0.09 1.13 2.43 -0.86 0.14 114.38 119.11 1aic h ARG 316 Ca 0.10 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1aic h ARG 316 Cb 0.76 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1aic h ARG 316 CO 0.06 0.73 -0.04 0.00 -1.51 0.00 0.00 179.97 179.21 1aic h ALA 317 N 1.47 -0.12 -0.53 2.80 0.00 -0.99 -0.02 119.26 121.88 1aic h ALA 317 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1aic h ALA 317 Cb -0.12 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1aic h ALA 317 CO -0.06 -0.49 0.29 0.82 0.00 0.00 0.00 179.25 179.81 1aic h ILE 318 N -0.27 1.18 -0.14 0.00 2.04 -1.05 -2.86 117.51 116.41 1aic h ILE 318 Ca -0.01 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1aic h ILE 318 Cb 0.23 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1aic h ILE 318 CO 0.02 0.20 0.08 -0.25 0.00 0.00 0.00 178.15 178.20 1aic h TRP 319 N 0.72 0.18 -0.79 1.37 7.01 -0.71 -0.89 115.95 122.85 1aic h TRP 319 Ca 0.19 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.28 1aic h TRP 319 Cb 0.06 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 1aic h TRP 319 CO -0.01 0.18 0.51 0.93 -2.79 0.00 0.00 178.44 177.26 1aic h GLU 320 N 0.14 0.68 -0.50 2.65 5.08 -0.97 0.93 114.58 122.58 1aic h GLU 320 Ca 0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1aic h GLU 320 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1aic h GLU 320 CO -0.01 0.45 -0.11 1.96 -1.00 0.00 0.00 179.01 180.30 1aic h GLN 321 N 0.70 0.95 -0.57 2.33 1.08 -0.97 -0.39 115.11 118.25 1aic h GLN 321 Ca 0.36 -0.36 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1aic h GLN 321 Cb 0.48 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 1aic h GLN 321 CO -0.14 1.02 0.18 0.93 -0.95 0.00 0.00 178.83 179.87 1aic h GLU 322 N 0.81 0.86 -0.32 1.46 5.08 -0.02 -1.08 114.58 121.38 1aic h GLU 322 Ca 0.13 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1aic h GLU 322 Cb 0.67 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1aic h GLU 322 CO 0.05 0.74 -0.02 1.25 -1.00 0.00 0.00 179.01 180.03 1aic h LEU 323 N 0.84 0.57 -0.81 1.33 5.85 -0.62 -2.62 115.31 119.84 1aic h LEU 323 Ca 0.19 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1aic h LEU 323 Cb 0.24 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1aic h LEU 323 CO -0.01 0.76 0.50 0.74 -0.34 0.00 0.00 178.44 180.09 1aic h THR 324 N 0.36 1.05 -0.80 1.05 2.02 -0.74 -0.97 112.91 114.87 1aic h THR 324 Ca 0.09 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1aic h THR 324 Cb 0.48 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1aic h THR 324 CO 0.02 0.17 0.37 0.44 0.37 0.00 0.00 175.52 176.89 1aic h ASP 325 N 0.92 1.06 -0.16 4.18 3.32 -1.04 -0.79 116.42 123.91 1aic h ASP 325 Ca 0.35 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1aic h ASP 325 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1aic h ASP 325 CO -0.16 0.91 -0.01 0.24 -1.72 0.00 0.00 179.24 178.50 1aic h MET 326 N 1.14 0.29 -0.21 3.56 2.86 -1.07 -1.33 114.93 120.17 1aic h MET 326 Ca 0.27 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1aic h MET 326 Cb 0.14 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1aic h MET 326 CO -0.03 0.52 -0.25 -0.09 1.06 0.00 0.00 176.91 178.12 1aic h ARG 327 N 0.03 -0.26 -0.97 1.72 2.43 -0.95 -2.58 114.38 113.79 1aic h ARG 327 Ca 0.05 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1aic h ARG 327 Cb 0.40 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1aic h ARG 327 CO 0.01 -0.17 0.64 1.96 -1.51 0.00 0.00 179.97 180.89 1aic h GLN 328 N -0.27 1.21 -0.88 0.20 4.20 -1.12 -0.41 115.11 118.03 1aic h GLN 328 Ca 0.13 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1aic h GLN 328 Cb 0.47 -0.27 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1aic h GLN 328 CO -0.37 0.80 0.56 -0.09 -0.67 0.00 0.00 178.83 179.06 1aic h ARG 329 N 1.25 1.01 -0.18 1.46 2.43 -0.95 -0.11 114.38 119.28 1aic h ARG 329 Ca 0.38 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1aic h ARG 329 Cb -0.02 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1aic h ARG 329 CO -0.12 0.67 -0.31 0.82 -1.51 0.00 0.00 179.97 179.52 1aic h ILE 330 N 1.04 1.34 -0.80 1.20 2.04 -1.02 -0.90 117.51 120.41 1aic h ILE 330 Ca 0.37 -1.54 0.07 0.00 1.00 0.00 0.00 64.86 64.76 1aic h ILE 330 Cb 0.12 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1aic h ILE 330 CO -0.16 0.47 0.47 1.56 0.00 0.00 0.00 178.15 180.50 1aic h GLN 331 N 0.19 0.82 -0.38 2.37 4.20 -0.66 -1.79 115.11 119.85 1aic h GLN 331 Ca 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1aic h GLN 331 Cb 0.90 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1aic h GLN 331 CO 0.07 0.54 0.20 0.00 -0.67 0.00 0.00 178.83 178.98 1aic h ARG 332 N 0.84 0.54 -0.04 1.46 -0.00 -0.66 -2.60 114.38 113.92 1aic h ARG 332 Ca 0.36 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.98 59.71 1aic h ARG 332 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 1aic h ARG 332 CO -0.20 0.45 -0.24 0.52 0.00 0.00 0.00 179.97 180.51 1aic h MET 333 N 0.49 0.07 0.21 0.04 2.86 -0.81 0.93 114.93 118.72 1aic h MET 333 Ca 0.13 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1aic h MET 333 Cb 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1aic h MET 333 CO -0.02 0.32 -0.10 0.00 1.06 0.00 0.00 176.91 178.17 1aic h ARG 334 N 0.07 -0.27 0.13 1.72 3.08 -0.96 1.00 114.38 119.14 1aic h ARG 334 Ca 0.01 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1aic h ARG 334 Cb 0.47 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1aic h ARG 334 CO 0.03 0.03 -0.10 1.96 -1.07 0.00 0.00 179.97 180.82 1aic h GLN 335 N -0.58 -0.23 -0.18 0.04 7.50 -1.25 -2.32 115.11 118.09 1aic h GLN 335 Ca -0.03 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.19 1aic h GLN 335 Cb 0.42 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1aic h GLN 335 CO 0.05 -0.15 0.13 1.25 -1.50 0.00 0.00 178.83 178.60 1aic h LEU 336 N -0.24 0.00 0.08 1.46 5.85 -0.80 -1.13 115.31 120.53 1aic h LEU 336 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1aic h LEU 336 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1aic h LEU 336 CO -0.01 0.00 -0.04 0.15 -0.34 0.00 0.00 178.44 178.20 1aic h PHE 337 N 0.00 -0.10 0.00 1.25 3.57 -0.26 -2.11 116.94 119.29 1aic h PHE 337 Ca 0.08 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1aic h PHE 337 Cb 0.34 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1aic h PHE 337 CO 0.00 0.44 -0.29 -0.39 -2.23 0.00 0.00 178.31 175.84 1aic h VAL 338 N -0.73 0.83 0.26 1.41 -1.51 -0.97 -2.02 116.25 113.52 1aic h VAL 338 Ca -0.01 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 1aic h VAL 338 Cb 0.58 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1aic h VAL 338 CO 0.02 0.28 -0.12 0.78 -1.23 0.00 0.00 177.57 177.30 1aic h ASN 339 N 0.00 -0.29 -0.55 4.19 -0.26 -1.25 -1.01 115.58 116.41 1aic h ASN 339 Ca -0.00 -0.24 0.10 0.00 -0.56 0.00 0.00 56.30 55.61 1aic h ASN 339 Cb 0.69 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 1aic h ASN 339 CO 0.04 0.14 0.37 0.74 -1.06 0.00 0.00 177.43 177.67 1aic h THR 340 N -0.81 0.87 -0.12 2.81 2.02 -1.31 -0.65 112.91 115.72 1aic h THR 340 Ca -0.04 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1aic h THR 340 Cb 0.51 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1aic h THR 340 CO 0.06 0.05 -0.06 0.25 0.37 0.00 0.00 175.52 176.20 1aic h LEU 341 N 0.30 0.25 -0.17 2.58 5.85 -1.10 0.16 115.31 123.18 1aic h LEU 341 Ca 0.26 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1aic h LEU 341 Cb 0.61 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1aic h LEU 341 CO -0.06 0.61 0.10 1.56 -0.34 0.00 0.00 178.44 180.31 1aic h GLN 342 N -0.11 0.23 -0.45 1.25 7.50 0.18 -0.98 115.11 122.72 1aic h GLN 342 Ca 0.03 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1aic h GLN 342 Cb 0.52 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 1aic h GLN 342 CO 0.02 0.21 0.29 0.93 -1.50 0.00 0.00 178.83 178.78 1aic h GLU 343 N 0.18 0.57 0.00 1.46 5.08 -1.07 -2.85 114.58 117.95 1aic h GLU 343 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1aic h GLU 343 Cb 0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1aic h GLU 343 CO -0.01 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.01 1aic n LYS 344 N -4.79 0.60 0.00 2.33 4.76 0.53 -4.71 118.16 116.88 1aic n LYS 344 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1aic n LYS 344 Cb 0.04 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1aic n LYS 344 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aic n GLY 345 N 0.15 0.87 3.54 0.72 0.00 -1.07 -4.99 105.19 104.40 1aic n GLY 345 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1aic n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aic n ALA 346 N -0.60 0.82 0.07 4.61 0.00 -0.43 -4.80 120.51 120.20 1aic n ALA 346 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 53.44 52.82 1aic n ALA 346 Cb 0.00 -2.96 0.09 0.00 0.00 0.00 0.00 19.45 16.59 1aic n ALA 346 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aic n ASN 347 N 14.02 0.00 -4.14 0.00 5.15 -1.26 -4.67 115.26 124.35 1aic n ASN 347 Ca 0.42 0.34 -0.14 0.00 -0.60 0.00 0.00 54.58 54.60 1aic n ASN 347 Cb 0.42 -0.06 -0.11 0.00 -0.53 0.00 0.00 39.78 39.50 1aic n ASN 347 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1aic s ARG 348 N -2.97 0.75 -0.24 1.20 3.52 -1.26 -5.10 118.95 114.85 1aic s ARG 348 Ca -0.01 -1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 54.27 1aic s ARG 348 Cb 0.03 -0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 32.93 1aic s ARG 348 CO 0.10 0.08 1.53 0.34 -0.81 0.00 0.00 175.30 176.54 1aic s ASP 349 N -2.16 6.46 -0.20 -2.12 2.15 -1.26 -4.87 116.67 114.67 1aic s ASP 349 Ca 0.01 1.50 0.16 0.00 0.43 0.00 0.00 52.55 54.64 1aic s ASP 349 Cb -0.05 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.69 1aic s ASP 349 CO -0.00 -1.21 1.57 0.49 -0.17 0.00 0.00 175.17 175.84 1aic n PHE 350 N 8.23 1.44 0.27 -5.34 3.72 -1.26 -4.72 117.46 119.80 1aic n PHE 350 Ca 0.18 -0.79 0.13 0.00 -0.05 0.00 0.00 57.45 56.91 1aic n PHE 350 Cb 0.46 -0.39 0.75 0.00 -0.94 0.00 0.00 39.48 39.36 1aic n PHE 350 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1aic h SER 351 N 2.84 0.00 -0.09 4.37 4.64 -1.95 -2.12 113.55 121.25 1aic h SER 351 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1aic h SER 351 Cb 1.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1aic h SER 351 CO 0.33 0.10 0.21 2.19 -0.87 0.00 0.00 176.83 178.79 1aic h PHE 352 N 0.00 0.00 -0.11 4.77 -0.00 -1.95 -2.09 116.94 117.56 1aic h PHE 352 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.00 1aic h PHE 352 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.20 1aic h PHE 352 CO 0.00 0.00 0.09 0.82 -0.00 0.00 0.00 178.31 179.22 1aic h ILE 353 N 0.00 0.80 0.00 0.88 1.08 -1.77 -0.28 117.51 118.23 1aic h ILE 353 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1aic h ILE 353 Cb 0.47 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1aic h ILE 353 CO -0.00 0.00 -0.27 0.40 -0.69 0.00 0.00 178.15 177.59 1aic h ILE 354 N 0.00 0.05 0.00 -0.67 2.04 -1.60 -3.22 117.51 114.10 1aic h ILE 354 Ca 0.05 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1aic h ILE 354 Cb 0.23 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1aic h ILE 354 CO -0.00 0.03 -0.04 0.11 0.00 0.00 0.00 178.15 178.24 1aic h LYS 355 N 0.00 0.00 -6.59 2.37 1.57 -1.16 -3.47 116.57 109.30 1aic h LYS 355 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1aic h LYS 355 Cb 1.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.35 1aic h LYS 355 CO 0.00 0.00 -0.16 -0.65 -0.57 0.00 0.00 179.45 178.08 1aic s GLN 356 N -3.18 3.30 0.12 3.15 -0.21 -1.20 -4.92 119.66 116.71 1aic s GLN 356 Ca 0.08 -0.43 0.10 0.00 0.02 0.00 0.00 55.36 55.13 1aic s GLN 356 Cb 0.08 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1aic s GLN 356 CO 0.65 -0.03 -0.24 -0.80 -2.12 0.00 0.00 175.29 172.75 1aic s ASN 357 N -4.12 2.95 0.00 5.90 0.02 0.19 -4.99 114.94 114.90 1aic s ASN 357 Ca 0.44 -0.72 0.00 0.00 -1.02 0.00 0.00 52.86 51.56 1aic s ASN 357 Cb -0.10 -0.18 0.00 0.00 0.02 0.00 0.00 41.25 40.99 1aic s ASN 357 CO 0.37 0.12 0.00 0.61 0.02 0.00 0.00 177.10 178.22 1aic n GLY 358 N 1.00 -1.05 0.05 0.66 0.00 -1.21 -4.46 105.19 100.17 1aic n GLY 358 Ca -0.19 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1aic n GLY 358 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aic n MET 359 N 0.00 0.25 -4.18 1.61 2.81 -1.26 -4.90 117.12 111.44 1aic n MET 359 Ca 0.00 0.05 -0.26 0.00 -1.81 0.00 0.00 57.70 55.67 1aic n MET 359 Cb 0.00 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 30.81 1aic n MET 359 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1aic s PHE 360 N -3.15 2.91 0.10 2.03 0.08 -1.26 0.36 117.98 119.06 1aic s PHE 360 Ca 0.06 -0.11 -0.25 0.00 0.12 0.00 0.00 56.93 56.75 1aic s PHE 360 Cb 0.14 -1.41 0.07 0.00 -0.57 0.00 0.00 43.02 41.26 1aic s PHE 360 CO 0.74 0.52 0.63 -1.12 -0.10 0.00 0.00 175.22 175.89 1aic s SER 361 N -2.98 -0.58 -0.18 1.36 0.01 -0.93 -4.09 113.70 106.32 1aic s SER 361 Ca 0.28 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.54 1aic s SER 361 Cb -0.09 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1aic s SER 361 CO 0.20 -0.87 0.51 -0.36 0.41 0.00 0.00 173.24 173.13 1aic s PHE 362 N -3.09 3.41 -0.26 2.43 0.08 -1.25 -1.03 117.98 118.27 1aic s PHE 362 Ca -0.02 0.81 0.27 0.00 0.12 0.00 0.00 56.93 58.12 1aic s PHE 362 Cb -0.01 -2.64 1.14 0.00 -0.57 0.00 0.00 43.02 40.94 1aic s PHE 362 CO -0.07 -0.03 1.81 0.66 -0.10 0.00 0.00 175.22 177.49 1aic h SER 363 N 7.27 0.00 -2.44 1.36 4.64 -0.99 -3.47 113.55 119.92 1aic h SER 363 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 1aic h SER 363 Cb 1.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1aic h SER 363 CO 0.74 0.00 -0.10 0.61 -0.87 0.00 0.00 176.83 177.22 1aic n GLY 364 N -0.02 0.35 3.27 -0.77 0.00 -1.26 -5.05 105.19 101.71 1aic n GLY 364 Ca 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1aic n GLY 364 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aic s LEU 365 N -2.53 2.33 0.44 0.99 2.96 -1.26 -5.12 118.68 116.49 1aic s LEU 365 Ca 0.00 -0.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.98 1aic s LEU 365 Cb -0.00 -0.77 -0.10 0.00 0.50 0.00 0.00 46.19 45.82 1aic s LEU 365 CO 0.09 -0.01 1.00 -0.89 -1.32 0.00 0.00 176.35 175.22 1aic s THR 366 N -1.46 4.05 0.29 3.68 2.01 -1.26 -4.54 115.64 118.41 1aic s THR 366 Ca 0.07 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.46 1aic s THR 366 Cb -0.09 -3.58 0.28 0.00 0.01 0.00 0.00 72.50 69.12 1aic s THR 366 CO 0.04 -0.21 1.76 0.50 -0.69 0.00 0.00 174.62 176.02 1aic h LYS 367 N 1.95 0.66 -0.27 4.92 3.11 -1.95 0.80 116.57 125.78 1aic h LYS 367 Ca -0.49 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.15 1aic h LYS 367 Cb 1.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1aic h LYS 367 CO 0.61 0.44 -0.48 0.93 -2.81 0.00 0.00 179.45 178.13 1aic h GLU 368 N 0.68 0.74 -0.36 1.90 3.07 -1.92 -2.17 114.58 116.51 1aic h GLU 368 Ca 0.55 -0.43 -0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1aic h GLU 368 Cb 0.87 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1aic h GLU 368 CO -0.40 1.05 -0.03 1.96 -1.40 0.00 0.00 179.01 180.19 1aic h GLN 369 N 0.58 0.58 -0.55 2.33 4.20 -1.56 -0.18 115.11 120.51 1aic h GLN 369 Ca 0.03 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1aic h GLN 369 Cb 1.05 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1aic h GLN 369 CO 0.10 0.63 0.02 0.28 -0.67 0.00 0.00 178.83 179.19 1aic h VAL 370 N 0.55 1.25 -0.09 -0.54 2.07 -0.51 -0.82 116.25 118.16 1aic h VAL 370 Ca 0.11 -1.06 -0.17 0.00 0.82 0.00 0.00 66.70 66.40 1aic h VAL 370 Cb 0.40 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1aic h VAL 370 CO 0.02 0.38 -0.68 -0.07 0.02 0.00 0.00 177.57 177.24 1aic h LEU 371 N 0.86 0.45 0.16 2.57 3.38 -1.08 -2.25 115.31 119.41 1aic h LEU 371 Ca 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1aic h LEU 371 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1aic h LEU 371 CO 0.02 1.00 -0.11 0.03 0.09 0.00 0.00 178.44 179.47 1aic h ARG 372 N 0.27 -0.26 -0.61 1.13 2.47 -0.10 0.68 114.38 117.96 1aic h ARG 372 Ca -0.02 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 1aic h ARG 372 Cb 1.23 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.53 1aic h ARG 372 CO 0.11 -0.18 0.18 -0.07 0.56 0.00 0.00 179.97 180.58 1aic h LEU 373 N -0.27 0.12 0.46 3.04 3.38 -1.21 0.08 115.31 120.91 1aic h LEU 373 Ca -0.01 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1aic h LEU 373 Cb 0.24 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1aic h LEU 373 CO 0.00 0.07 -0.22 0.03 0.09 0.00 0.00 178.44 178.41 1aic h ARG 374 N 0.34 -0.60 -0.16 1.13 3.08 -0.69 -2.32 114.38 115.16 1aic h ARG 374 Ca 0.32 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1aic h ARG 374 Cb 0.43 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1aic h ARG 374 CO -0.35 -0.30 0.05 0.93 -1.07 0.00 0.00 179.97 179.23 1aic h GLU 375 N -1.01 0.25 0.00 0.04 4.39 -0.83 -3.28 114.58 114.14 1aic h GLU 375 Ca -0.06 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.42 1aic h GLU 375 Cb 0.58 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1aic h GLU 375 CO 0.10 0.37 -1.08 0.93 -1.16 0.00 0.00 179.01 178.18 1aic h GLU 376 N 0.08 0.00 0.00 2.33 4.39 -1.14 -3.48 114.58 116.76 1aic h GLU 376 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1aic h GLU 376 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1aic h GLU 376 CO -0.00 0.48 0.00 1.19 -1.16 0.00 0.00 179.01 179.52 1aic n PHE 377 N -3.08 -0.05 0.06 4.33 3.72 -0.91 -5.03 117.46 116.49 1aic n PHE 377 Ca -0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.45 1aic n PHE 377 Cb 0.84 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.60 1aic n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aic n GLY 378 N 5.00 1.95 3.64 1.37 0.00 -1.24 -4.65 105.19 111.25 1aic n GLY 378 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1aic n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aic s VAL 379 N -1.23 4.89 -0.35 1.61 1.01 -0.99 -0.76 120.40 124.57 1aic s VAL 379 Ca 0.37 1.42 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 1aic s VAL 379 Cb 0.21 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1aic s VAL 379 CO 0.28 -0.04 0.38 -0.31 0.00 0.00 0.00 175.10 175.41 1aic s TYR 380 N 2.71 3.20 0.18 5.22 1.51 -0.22 -1.72 117.35 128.23 1aic s TYR 380 Ca 0.32 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1aic s TYR 380 Cb -0.15 -2.71 -0.05 0.00 -0.11 0.00 0.00 41.96 38.94 1aic s TYR 380 CO 0.08 -0.47 -0.06 0.00 -1.11 0.00 0.00 175.55 173.99 1aic s ALA 381 N 2.05 1.56 0.51 3.71 0.00 -1.26 -0.21 121.76 128.12 1aic s ALA 381 Ca 0.12 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.30 1aic s ALA 381 Cb -0.17 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1aic s ALA 381 CO 0.12 -0.16 1.07 0.08 0.00 0.00 0.00 175.76 176.87 1aic s VAL 382 N -3.37 3.56 -0.61 0.00 1.01 -1.14 -4.86 120.40 114.99 1aic s VAL 382 Ca 0.21 0.97 0.18 0.00 0.00 0.00 0.00 61.98 63.34 1aic s VAL 382 Cb 0.04 -3.39 0.18 0.00 0.00 0.00 0.00 36.38 33.21 1aic s VAL 382 CO 0.03 -0.22 1.56 0.00 0.00 0.00 0.00 175.10 176.47 1aic n ALA 383 N -1.12 1.45 0.84 5.51 0.00 -1.26 -0.58 120.51 125.35 1aic n ALA 383 Ca 0.10 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1aic n ALA 383 Cb 0.52 -1.29 0.44 0.00 0.00 0.00 0.00 19.45 19.12 1aic n ALA 383 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aic n SER 384 N -1.98 0.00 0.00 0.00 3.41 -1.26 -4.32 113.62 109.47 1aic n SER 384 Ca 0.01 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1aic n SER 384 Cb 0.15 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1aic n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aic n GLY 385 N 0.19 0.56 3.69 5.00 0.00 0.25 -4.82 105.19 110.06 1aic n GLY 385 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1aic n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aic s ARG 386 N -0.09 4.32 0.19 1.61 3.52 -1.24 -0.31 118.95 126.94 1aic s ARG 386 Ca 0.00 1.84 0.11 0.00 -0.13 0.00 0.00 55.73 57.55 1aic s ARG 386 Cb 0.00 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1aic s ARG 386 CO 0.00 -0.50 -0.20 0.14 -0.81 0.00 0.00 175.30 173.93 1aic s VAL 387 N 2.18 2.57 -0.34 7.11 -7.23 -0.20 -2.88 120.40 121.63 1aic s VAL 387 Ca 0.60 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 1aic s VAL 387 Cb -0.29 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 1aic s VAL 387 CO 0.25 -0.12 0.20 0.21 -0.31 0.00 0.00 175.10 175.33 1aic s ASN 388 N -2.72 5.78 0.51 4.85 3.04 -0.72 -2.18 114.94 123.49 1aic s ASN 388 Ca 0.22 -0.59 0.24 0.00 0.04 0.00 0.00 52.86 52.77 1aic s ASN 388 Cb -0.08 -2.06 1.36 0.00 -1.54 0.00 0.00 41.25 38.93 1aic s ASN 388 CO 0.11 -0.25 2.06 0.58 -3.04 0.00 0.00 177.10 176.56 1aic h VAL 389 N 5.64 0.70 0.00 -5.21 2.07 -0.44 -2.68 116.25 116.32 1aic h VAL 389 Ca -0.30 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1aic h VAL 389 Cb 1.14 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1aic h VAL 389 CO 0.64 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.36 1aic n ALA 390 N -2.33 1.71 1.19 1.67 0.00 -1.26 -2.42 120.51 119.07 1aic n ALA 390 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1aic n ALA 390 Cb 0.23 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 18.76 1aic n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aic n GLY 391 N -0.26 0.61 3.83 0.00 0.00 -1.01 -4.03 105.19 104.33 1aic n GLY 391 Ca 0.05 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1aic n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aic s MET 392 N -2.00 4.03 0.17 1.61 -1.94 -1.02 -4.85 119.30 115.30 1aic s MET 392 Ca 0.32 0.54 0.06 0.00 -1.71 0.00 0.00 55.69 54.90 1aic s MET 392 Cb 0.20 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1aic s MET 392 CO 0.31 0.56 -0.13 0.95 -0.01 0.00 0.00 175.02 176.71 1aic s THR 393 N -1.30 1.43 0.43 2.05 -4.23 -1.26 -4.90 115.64 107.87 1aic s THR 393 Ca 0.33 -2.08 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 1aic s THR 393 Cb -0.17 -1.88 0.41 0.00 1.34 0.00 0.00 72.50 72.20 1aic s THR 393 CO 0.18 -0.64 1.83 1.55 -0.54 0.00 0.00 174.62 177.00 1aic h PRO 394 N 2.80 0.33 0.68 3.99 0.13 -1.99 -0.66 132.00 137.27 1aic h PRO 394 Ca -0.38 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1aic h PRO 394 Cb 1.20 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.27 1aic h PRO 394 CO 0.61 0.22 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.83 1aic h ASP 395 N 0.34 -0.77 0.08 1.44 5.19 -1.95 -3.25 116.42 117.50 1aic h ASP 395 Ca 0.51 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1aic h ASP 395 Cb 1.40 0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.11 1aic h ASP 395 CO -0.19 -0.41 -0.01 -0.46 -3.12 0.00 0.00 179.24 175.05 1aic n ASN 396 N -5.20 0.18 -0.12 6.45 0.23 -0.88 -4.10 115.26 111.83 1aic n ASN 396 Ca -0.11 -0.94 -0.05 0.00 -0.53 0.00 0.00 54.58 52.95 1aic n ASN 396 Cb 0.36 -0.03 0.02 0.00 -2.08 0.00 0.00 39.78 38.04 1aic n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1aic h MET 397 N 0.28 0.03 -0.13 -3.83 4.05 -1.17 -2.17 114.93 111.98 1aic h MET 397 Ca 0.00 -0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1aic h MET 397 Cb 0.10 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1aic h MET 397 CO 0.00 0.02 -0.59 0.00 0.23 0.00 0.00 176.91 176.56 1aic h ALA 398 N 1.38 0.25 -0.62 0.39 0.00 -1.79 -1.24 119.26 117.63 1aic h ALA 398 Ca 0.19 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.71 1aic h ALA 398 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1aic h ALA 398 CO -0.38 0.49 0.43 -1.00 0.00 0.00 0.00 179.25 178.79 1aic h PRO 399 N 0.29 0.22 0.19 0.00 0.13 -1.81 -1.66 132.00 129.35 1aic h PRO 399 Ca -0.04 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1aic h PRO 399 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1aic h PRO 399 CO 0.12 0.14 -0.09 1.25 -0.23 0.00 0.00 178.00 179.20 1aic h LEU 400 N 0.22 -0.22 -1.42 1.56 5.85 -1.11 -2.84 115.31 117.36 1aic h LEU 400 Ca 0.30 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1aic h LEU 400 Cb 0.86 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1aic h LEU 400 CO -0.06 0.26 -0.11 0.00 -0.34 0.00 0.00 178.44 178.19 1aic h GLU 402 N 0.24 1.16 -0.06 0.00 5.08 -1.34 -0.58 114.58 119.07 1aic h GLU 402 Ca 0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1aic h GLU 402 Cb 0.35 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1aic h GLU 402 CO 0.02 0.86 -0.04 0.00 -1.00 0.00 0.00 179.01 178.85 1aic h ALA 403 N 1.24 0.09 -0.14 3.43 0.00 -1.12 -1.24 119.26 121.52 1aic h ALA 403 Ca 0.29 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1aic h ALA 403 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aic h ALA 403 CO -0.05 -0.15 -0.33 -0.84 0.00 0.00 0.00 179.25 177.89 1aic h ILE 404 N -0.27 1.28 -0.35 0.00 3.07 -1.20 -2.13 117.51 117.92 1aic h ILE 404 Ca 0.01 -1.33 -0.03 0.00 1.55 0.00 0.00 64.86 65.07 1aic h ILE 404 Cb 0.50 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 38.56 1aic h ILE 404 CO 0.01 0.40 0.09 0.58 -1.05 0.00 0.00 178.15 178.18 1aic h VAL 405 N 0.24 1.16 0.00 0.16 2.07 -0.93 -0.85 116.25 118.10 1aic h VAL 405 Ca 0.03 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1aic h VAL 405 Cb 0.70 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1aic h VAL 405 CO 0.05 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1aic n ALA 407 N -2.48 1.50 0.19 1.67 0.00 -0.48 -3.14 120.51 117.77 1aic n ALA 407 Ca 0.02 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1aic n ALA 407 Cb 0.18 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1aic n ALA 407 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1aic n VAL 408 N -2.11 0.00 0.22 0.00 0.24 -0.37 -5.09 118.33 111.22 1aic n VAL 408 Ca 0.01 -0.44 0.02 0.00 -2.04 0.00 0.00 64.34 61.89 1aic n VAL 408 Cb 0.17 1.04 0.11 0.00 -1.47 0.00 0.00 33.84 33.68 1aic n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87