#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 0.00 -0.33 1.12 3.72 -1.26 -4.76 117.46 115.95 1aic n PHE 6 Ca 0.00 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.68 1aic n PHE 6 Cb 0.00 -0.09 0.51 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.10 0.00 -0.10 -1.08 3.07 -2.12 -1.68 114.58 112.77 1aic h GLU 7 Ca 0.00 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1aic h GLU 7 Cb 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1aic h GLU 7 CO 0.00 0.00 -0.46 0.09 -1.40 0.00 0.00 179.01 177.24 1aic n ASN 8 N -5.32 2.03 -4.70 1.42 5.03 -1.26 -5.02 115.26 107.43 1aic n ASN 8 Ca 0.34 -3.89 -0.42 0.00 0.87 0.00 0.00 54.58 51.49 1aic n ASN 8 Cb 1.15 -0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 39.35 1aic n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1aic s ILE 9 N -3.34 3.36 0.33 2.41 1.01 -0.64 -5.00 121.20 119.34 1aic s ILE 9 Ca 0.40 0.89 -0.24 0.00 0.00 0.00 0.00 60.65 61.69 1aic s ILE 9 Cb 0.38 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 39.18 1aic s ILE 9 CO -0.05 0.03 0.91 0.42 0.00 0.00 0.00 174.94 176.25 1aic s THR 10 N 1.80 4.30 0.75 2.92 -4.23 -1.26 -5.02 115.64 114.90 1aic s THR 10 Ca 0.66 1.67 -0.16 0.00 -1.18 0.00 0.00 61.69 62.68 1aic s THR 10 Cb -0.36 -3.91 -0.02 0.00 1.34 0.00 0.00 72.50 69.55 1aic s THR 10 CO 0.29 0.06 0.57 0.00 -0.54 0.00 0.00 174.62 175.01 1aic n ALA 11 N 0.35 -1.48 -2.03 3.99 0.00 -1.26 -4.97 120.51 115.12 1aic n ALA 11 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 1aic n ALA 11 Cb 0.51 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 1aic n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aic s ALA 12 N -1.96 3.30 0.30 0.00 0.00 -1.26 -5.04 121.76 117.10 1aic s ALA 12 Ca 0.65 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 1aic s ALA 12 Cb -0.33 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1aic s ALA 12 CO 0.58 0.28 1.31 -1.25 0.00 0.00 0.00 175.76 176.69 1aic s PRO 13 N -2.55 4.36 0.13 0.00 0.04 -1.26 -4.96 135.00 130.76 1aic s PRO 13 Ca 0.51 2.19 -0.32 0.00 0.04 0.00 0.00 61.00 63.42 1aic s PRO 13 Cb -0.13 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 1aic s PRO 13 CO 0.19 -0.20 1.80 0.00 0.04 0.00 0.00 177.00 178.82 1aic n ALA 14 N 1.20 2.11 -1.95 8.56 0.00 -1.26 -4.89 120.51 124.29 1aic n ALA 14 Ca 0.01 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 1aic n ALA 14 Cb 0.42 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 1aic n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1aic s ASP 15 N 2.37 5.83 0.26 0.00 -1.08 -1.26 -4.87 116.67 117.92 1aic s ASP 15 Ca 0.81 1.36 -0.08 0.00 -0.52 0.00 0.00 52.55 54.13 1aic s ASP 15 Cb -0.52 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 38.86 1aic s ASP 15 CO 0.38 -1.74 1.59 -0.65 0.52 0.00 0.00 175.17 175.26 1aic h PRO 16 N 13.15 0.02 0.48 4.34 0.11 -1.99 0.23 132.00 148.35 1aic h PRO 16 Ca -0.34 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1aic h PRO 16 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aic h PRO 16 CO 1.02 0.01 -0.23 0.82 -0.21 0.00 0.00 178.00 179.42 1aic h ILE 17 N 0.02 0.30 -0.77 4.15 1.08 -1.95 -3.30 117.51 117.03 1aic h ILE 17 Ca 0.44 -0.51 0.16 0.00 -0.39 0.00 0.00 64.86 64.57 1aic h ILE 17 Cb 0.74 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 1aic h ILE 17 CO -0.86 0.05 0.52 -0.07 -0.69 0.00 0.00 178.15 177.11 1aic h LEU 18 N -1.03 0.37 -1.09 1.44 3.38 -1.90 -2.64 115.31 113.84 1aic h LEU 18 Ca -0.07 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1aic h LEU 18 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1aic h LEU 18 CO 0.11 0.18 -0.34 1.23 0.09 0.00 0.00 178.44 179.71 1aic h GLY 19 N 0.39 0.00 2.00 0.83 0.00 -0.62 -3.17 103.07 102.50 1aic h GLY 19 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1aic h GLY 19 CO -0.12 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.22 1aic h LEU 20 N 0.00 0.00 -0.13 3.11 7.12 -1.55 -3.20 115.31 120.67 1aic h LEU 20 Ca -0.00 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.05 1aic h LEU 20 Cb 0.80 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.88 1aic h LEU 20 CO 0.04 0.19 -0.25 0.00 -0.13 0.00 0.00 178.44 178.30 1aic h ALA 21 N 1.81 -0.24 0.00 1.25 0.00 -1.69 -0.88 119.26 119.50 1aic h ALA 21 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aic h ALA 21 Cb 0.41 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1aic h ALA 21 CO 0.03 -0.72 0.00 -0.44 0.00 0.00 0.00 179.25 178.12 1aic h ASP 22 N -0.32 0.00 0.60 0.00 3.32 -1.77 0.02 116.42 118.27 1aic h ASP 22 Ca 0.10 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 1aic h ASP 22 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1aic h ASP 22 CO -0.31 0.00 -0.97 0.25 -1.72 0.00 0.00 179.24 176.49 1aic h LEU 23 N 0.00 0.30 0.15 1.55 6.46 -1.45 -3.24 115.31 119.08 1aic h LEU 23 Ca 0.00 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1aic h LEU 23 Cb 0.66 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1aic h LEU 23 CO 0.00 1.11 -0.07 0.15 -0.62 0.00 0.00 178.44 179.01 1aic h PHE 24 N 0.11 -0.18 -1.82 1.25 3.57 -0.32 -2.07 116.94 117.47 1aic h PHE 24 Ca -0.06 -0.00 -0.75 0.00 3.53 0.00 0.00 57.97 60.68 1aic h PHE 24 Cb 1.64 0.06 -0.17 0.00 2.79 0.00 0.00 35.95 40.26 1aic h PHE 24 CO 0.04 0.23 1.66 2.89 -2.23 0.00 0.00 178.31 180.90 1aic n ARG 25 N -4.97 3.57 0.00 1.11 1.85 -0.09 -1.79 116.66 116.34 1aic n ARG 25 Ca -0.09 -3.73 0.00 0.00 -1.00 0.00 0.00 57.85 53.03 1aic n ARG 25 Cb 0.25 -2.93 0.00 0.00 -1.05 0.00 0.00 32.46 28.73 1aic n ARG 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aic n ALA 26 N 4.35 0.00 -0.13 2.89 0.00 -1.23 -4.80 120.51 121.59 1aic n ALA 26 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 1aic n ALA 26 Cb 0.39 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 1aic n ALA 26 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1aic h ASP 27 N 0.00 0.09 -4.55 0.00 1.82 -0.60 -3.46 116.42 109.72 1aic h ASP 27 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1aic h ASP 27 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1aic h ASP 27 CO 0.00 0.08 0.00 -0.62 -1.61 0.00 0.00 179.24 177.09 1aic n GLU 28 N -5.05 -0.47 -4.71 0.28 4.71 -1.25 -4.96 120.64 109.19 1aic n GLU 28 Ca 0.03 -0.23 -0.31 0.00 -0.01 0.00 0.00 57.16 56.64 1aic n GLU 28 Cb 0.18 0.42 -0.08 0.00 -1.01 0.00 0.00 31.44 30.94 1aic n GLU 28 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1aic s ARG 29 N -2.71 2.11 0.00 3.49 3.00 -1.26 -5.14 118.95 118.44 1aic s ARG 29 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 55.73 53.42 1aic s ARG 29 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 34.95 33.48 1aic s ARG 29 CO 0.00 -0.30 0.04 -0.35 0.00 0.00 0.00 175.30 174.70 1aic n PRO 30 N -1.16 0.00 -2.06 3.54 -0.04 -1.26 -4.38 135.00 129.63 1aic n PRO 30 Ca -0.15 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 1aic n PRO 30 Cb 0.67 -0.41 -0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1aic n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aic n GLY 31 N 0.83 5.32 3.73 0.55 0.00 -1.26 -4.99 105.19 109.37 1aic n GLY 31 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1aic n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aic s LYS 32 N -1.76 4.15 -0.20 1.61 1.02 -1.26 -4.90 119.74 118.40 1aic s LYS 32 Ca 0.52 2.53 -0.02 0.00 0.02 0.00 0.00 55.97 59.02 1aic s LYS 32 Cb 0.20 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1aic s LYS 32 CO -0.11 -0.68 -0.10 0.42 -0.92 0.00 0.00 175.35 173.96 1aic s ILE 33 N 0.91 2.93 -0.34 2.17 1.01 -0.68 -5.02 121.20 122.20 1aic s ILE 33 Ca 0.71 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 1aic s ILE 33 Cb -0.48 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1aic s ILE 33 CO 0.35 0.46 0.39 0.21 0.00 0.00 0.00 174.94 176.35 1aic s ASN 34 N 1.37 6.21 -0.08 3.58 3.84 -1.26 -0.69 114.94 127.91 1aic s ASN 34 Ca 0.05 -0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.10 1aic s ASN 34 Cb -0.14 -2.21 0.34 0.00 -0.55 0.00 0.00 41.25 38.69 1aic s ASN 34 CO -0.06 -0.35 1.26 0.18 -2.79 0.00 0.00 177.10 175.35 1aic n LEU 35 N 5.44 3.05 -1.56 3.21 4.77 0.24 -4.51 117.00 127.64 1aic n LEU 35 Ca -0.08 -2.51 0.03 0.00 -0.03 0.00 0.00 56.01 53.42 1aic n LEU 35 Cb 0.49 -0.34 0.32 0.00 -2.33 0.00 0.00 43.42 41.57 1aic n LEU 35 CO 0.41 0.67 0.86 0.61 -1.33 0.00 0.00 177.39 178.61 1aic n GLY 36 N -0.27 3.66 3.87 -0.72 0.00 -1.24 -0.60 105.19 109.90 1aic n GLY 36 Ca 0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.89 4.75 -0.75 -0.61 -4.36 -1.26 -4.91 121.20 111.16 1aic s ILE 37 Ca 0.50 0.69 0.16 0.00 -0.26 0.00 0.00 60.65 61.75 1aic s ILE 37 Cb 0.40 -3.78 0.58 0.00 1.25 0.00 0.00 42.46 40.92 1aic s ILE 37 CO 0.12 -0.71 1.50 0.61 0.24 0.00 0.00 174.94 176.70 1aic n GLY 38 N -1.76 3.14 3.71 6.27 0.00 -1.26 -4.75 105.19 110.54 1aic n GLY 38 Ca 0.03 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1aic n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aic s VAL 39 N -2.00 2.24 0.34 1.61 1.01 -1.26 -5.10 120.40 117.24 1aic s VAL 39 Ca 0.43 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.43 1aic s VAL 39 Cb 0.29 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 1aic s VAL 39 CO 0.18 -0.00 0.85 -0.47 0.00 0.00 0.00 175.10 175.66 1aic s TYR 40 N -2.63 3.47 0.03 5.22 5.04 -1.26 -4.87 117.35 122.36 1aic s TYR 40 Ca 0.40 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.56 1aic s TYR 40 Cb 0.05 -2.75 -0.02 0.00 0.35 0.00 0.00 41.96 39.60 1aic s TYR 40 CO 0.21 0.10 -0.09 0.15 -1.34 0.00 0.00 175.55 174.58 1aic s LYS 41 N -2.65 0.61 0.31 4.97 1.02 -1.25 -4.47 119.74 118.28 1aic s LYS 41 Ca 0.54 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.94 1aic s LYS 41 Cb -0.13 -0.51 0.06 0.00 -0.52 0.00 0.00 37.83 36.73 1aic s LYS 41 CO 0.18 0.12 0.42 -0.40 -0.92 0.00 0.00 175.35 174.75 1aic n ASP 42 N 2.01 0.63 0.17 2.83 5.68 -0.20 -4.82 116.55 122.85 1aic n ASP 42 Ca -0.19 -1.52 0.12 0.00 -0.50 0.00 0.00 54.79 52.70 1aic n ASP 42 Cb 0.56 -0.27 0.61 0.00 -1.14 0.00 0.00 41.12 40.88 1aic n ASP 42 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1aic h GLU 43 N 0.00 0.00 0.00 0.11 9.09 -1.90 0.57 114.58 122.46 1aic h GLU 43 Ca -0.14 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.06 1aic h GLU 43 Cb 0.53 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.59 1aic h GLU 43 CO 0.16 0.00 -1.46 1.15 0.05 0.00 0.00 179.01 178.90 1aic h THR 44 N 0.00 0.68 -0.44 -1.06 2.02 -1.97 -3.46 112.91 108.69 1aic h THR 44 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1aic h THR 44 Cb 0.01 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1aic h THR 44 CO 0.00 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1aic n GLY 45 N 1.44 0.81 3.21 2.16 0.00 0.20 -5.10 105.19 107.92 1aic n GLY 45 Ca -0.11 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1aic n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aic s LYS 46 N -1.29 0.94 -0.67 1.61 1.02 -1.26 -4.78 119.74 115.32 1aic s LYS 46 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1aic s LYS 46 Cb 0.00 -0.50 0.17 0.00 -0.52 0.00 0.00 37.83 36.98 1aic s LYS 46 CO 0.00 0.05 0.48 0.99 -0.92 0.00 0.00 175.35 175.96 1aic s THR 47 N -3.15 3.46 0.93 2.17 2.01 -1.26 -1.03 115.64 118.76 1aic s THR 47 Ca 0.12 -3.47 -0.12 0.00 0.31 0.00 0.00 61.69 58.53 1aic s THR 47 Cb 0.02 -3.25 0.15 0.00 0.01 0.00 0.00 72.50 69.42 1aic s THR 47 CO -0.01 -0.93 1.12 -2.84 -0.69 0.00 0.00 174.62 171.27 1aic s PRO 48 N -0.64 1.03 -0.08 4.92 0.02 -1.26 -5.01 135.00 133.98 1aic s PRO 48 Ca 0.21 0.44 -0.23 0.00 0.02 0.00 0.00 61.00 61.43 1aic s PRO 48 Cb -0.16 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1aic s PRO 48 CO -0.07 -2.30 0.68 0.08 -0.33 0.00 0.00 177.00 175.06 1aic s VAL 49 N -3.14 5.05 0.57 3.83 1.01 -1.26 -4.96 120.40 121.50 1aic s VAL 49 Ca 0.64 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 1aic s VAL 49 Cb -0.16 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1aic s VAL 49 CO 0.55 0.24 1.15 0.18 0.00 0.00 0.00 175.10 177.22 1aic n LEU 50 N 3.88 4.52 0.20 3.92 4.32 -1.26 -4.86 117.00 127.72 1aic n LEU 50 Ca -0.02 0.90 0.09 0.00 -0.02 0.00 0.00 56.01 56.96 1aic n LEU 50 Cb 0.51 -1.47 0.13 0.00 -1.62 0.00 0.00 43.42 40.97 1aic n LEU 50 CO 0.47 -1.25 0.70 0.71 -1.22 0.00 0.00 177.39 176.80 1aic h THR 51 N 0.95 0.25 -0.93 -5.08 1.35 -1.97 -2.47 112.91 105.00 1aic h THR 51 Ca -0.49 -1.35 0.07 0.00 -0.55 0.00 0.00 66.41 64.09 1aic h THR 51 Cb 1.34 2.12 -0.06 0.00 -1.73 0.00 0.00 68.15 69.81 1aic h THR 51 CO 0.54 0.14 0.60 0.77 -0.25 0.00 0.00 175.52 177.32 1aic h SER 52 N 0.00 0.93 0.15 5.36 4.64 -1.91 0.48 113.55 123.20 1aic h SER 52 Ca -0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1aic h SER 52 Cb 1.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1aic h SER 52 CO 0.02 0.58 -0.07 0.58 -0.87 0.00 0.00 176.83 177.07 1aic h VAL 53 N 1.04 0.99 -0.91 0.95 2.07 -1.88 -0.64 116.25 117.87 1aic h VAL 53 Ca 0.41 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 67.15 1aic h VAL 53 Cb 0.23 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 1aic h VAL 53 CO -0.16 0.20 0.54 0.11 0.02 0.00 0.00 177.57 178.28 1aic h LYS 54 N -0.66 0.84 -0.36 1.57 1.79 -1.16 0.28 116.57 118.86 1aic h LYS 54 Ca -0.02 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 1aic h LYS 54 Cb 0.49 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1aic h LYS 54 CO 0.03 0.56 -0.18 0.87 -1.08 0.00 0.00 179.45 179.65 1aic h LYS 55 N 0.87 0.68 0.00 3.15 1.57 -0.85 -2.80 116.57 119.19 1aic h LYS 55 Ca 0.46 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1aic h LYS 55 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1aic h LYS 55 CO -0.27 0.83 -0.81 0.00 -0.57 0.00 0.00 179.45 178.62 1aic h ALA 56 N 1.19 0.59 0.00 3.86 0.00 0.86 -3.00 119.26 122.76 1aic h ALA 56 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1aic h ALA 56 Cb 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1aic h ALA 56 CO 0.05 1.02 0.00 0.93 0.00 0.00 0.00 179.25 181.24 1aic h GLU 57 N 0.00 0.00 0.02 0.00 5.08 -0.36 -2.13 114.58 117.20 1aic h GLU 57 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1aic h GLU 57 Cb 1.49 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.70 1aic h GLU 57 CO 0.11 0.00 -1.85 0.94 -1.00 0.00 0.00 179.01 177.20 1aic n GLN 58 N -2.93 0.66 -0.22 2.33 7.27 -1.08 -2.10 117.38 121.31 1aic n GLN 58 Ca 0.01 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1aic n GLN 58 Cb 0.27 -1.74 0.12 0.00 2.41 0.00 0.00 30.24 31.29 1aic n GLN 58 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1aic h TYR 59 N 0.01 0.55 -0.40 3.69 3.20 -1.32 -0.84 116.97 121.85 1aic h TYR 59 Ca -0.35 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 1aic h TYR 59 Cb 2.04 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 40.15 1aic h TYR 59 CO 0.01 0.19 0.07 -0.07 -1.64 0.00 0.00 178.16 176.73 1aic h LEU 60 N 0.54 0.64 -0.59 2.82 4.07 -1.46 0.11 115.31 121.43 1aic h LEU 60 Ca 0.32 -0.25 0.09 0.00 0.08 0.00 0.00 57.88 58.11 1aic h LEU 60 Cb 0.34 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 1aic h LEU 60 CO -0.27 0.73 0.23 0.25 -1.08 0.00 0.00 178.44 178.31 1aic h LEU 61 N 0.52 0.25 0.00 1.67 6.46 -0.86 0.58 115.31 123.93 1aic h LEU 61 Ca 0.12 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1aic h LEU 61 Cb 0.36 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1aic h LEU 61 CO 0.01 0.15 -0.46 -0.33 -0.62 0.00 0.00 178.44 177.20 1aic h GLU 62 N 0.43 0.00 0.00 1.25 5.08 -1.01 -3.37 114.58 116.95 1aic h GLU 62 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1aic h GLU 62 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1aic h GLU 62 CO -0.28 0.39 -1.58 0.09 -1.00 0.00 0.00 179.01 176.63 1aic n ASN 63 N -3.18 0.77 -4.74 1.42 4.13 0.38 -4.97 115.26 109.07 1aic n ASN 63 Ca 0.02 -0.25 -0.41 0.00 1.68 0.00 0.00 54.58 55.62 1aic n ASN 63 Cb 0.70 1.62 -0.04 0.00 -1.54 0.00 0.00 39.78 40.52 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 -3.14 4.69 0.00 3.52 2.02 0.15 -4.93 118.70 121.02 1aic s GLU 64 Ca -0.03 1.55 0.09 0.00 0.02 0.00 0.00 54.97 56.60 1aic s GLU 64 Cb 0.12 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 31.08 1aic s GLU 64 CO 0.77 0.21 0.74 0.25 0.02 0.00 0.00 175.26 177.25 1aic n THR 66 N 2.43 0.00 -3.59 3.63 -2.24 -1.26 -5.00 114.28 108.26 1aic n THR 66 Ca 0.02 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 1aic n THR 66 Cb 0.48 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.81 0.01 -0.32 4.28 -1.32 -1.26 -4.99 115.64 111.24 1aic s THR 67 Ca 0.10 -0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.54 1aic s THR 67 Cb 0.07 -0.90 0.48 0.00 -1.51 0.00 0.00 72.50 70.64 1aic s THR 67 CO 0.13 -0.06 1.43 0.29 -2.21 0.00 0.00 174.62 174.20 1aic n LYS 68 N 1.13 2.26 -0.97 7.08 5.02 -1.26 -5.05 118.16 126.38 1aic n LYS 68 Ca -0.19 -3.43 -0.31 0.00 -2.02 0.00 0.00 58.31 52.36 1aic n LYS 68 Cb 0.57 -1.94 0.13 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.80 3.64 0.56 4.39 3.04 -1.26 -4.90 114.94 117.61 1aic s ASN 69 Ca 0.47 2.04 -0.21 0.00 0.04 0.00 0.00 52.86 55.20 1aic s ASN 69 Cb 0.41 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 37.53 1aic s ASN 69 CO -0.00 -2.62 1.32 -1.22 -3.04 0.00 0.00 177.10 171.54 1aic n TYR 70 N -3.87 2.16 -2.58 0.43 4.01 -1.26 -5.03 117.16 111.02 1aic n TYR 70 Ca 0.11 0.43 -0.28 0.00 -0.16 0.00 0.00 57.90 58.00 1aic n TYR 70 Cb 0.52 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 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 -3.38 3.59 0.96 7.72 1.43 -1.26 -5.08 118.68 122.66 1aic s LEU 71 Ca 0.73 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 1aic s LEU 71 Cb -0.42 -3.91 0.17 0.00 0.03 0.00 0.00 46.19 42.06 1aic s LEU 71 CO 0.48 -0.61 1.11 -0.83 0.23 0.00 0.00 176.35 176.73 1aic s GLY 72 N -4.12 1.65 0.43 -3.19 0.00 -1.26 -4.79 107.32 96.05 1aic s GLY 72 Ca 0.48 0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.75 1aic s GLY 72 CO 0.46 0.87 1.94 -2.22 0.00 0.00 0.00 173.10 174.15 1aic h ILE 73 N -1.98 0.82 0.00 0.90 1.08 -1.98 0.77 117.51 117.12 1aic h ILE 73 Ca -0.47 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1aic h ILE 73 Cb 1.28 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1aic h ILE 73 CO 0.45 0.07 -0.26 -0.90 -0.69 0.00 0.00 178.15 176.82 1aic n ASP 74 N -4.47 0.28 0.00 1.72 5.75 -1.26 -4.40 116.55 114.17 1aic n ASP 74 Ca 0.13 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1aic n ASP 74 Cb 0.49 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.49 -1.68 3.65 6.12 0.00 0.26 0.08 105.19 115.12 1aic n GLY 75 Ca 0.06 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 3.77 0.13 -0.61 1.01 -1.26 -4.29 121.20 119.95 1aic s ILE 76 Ca 0.00 0.92 -0.31 0.00 0.00 0.00 0.00 60.65 61.26 1aic s ILE 76 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1aic s ILE 76 CO 0.00 -0.15 1.56 -0.65 0.00 0.00 0.00 174.94 175.71 1aic h PRO 77 N 9.59 -0.48 -0.72 2.79 0.11 -1.98 -1.69 132.00 139.62 1aic h PRO 77 Ca -0.35 0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.94 1aic h PRO 77 Cb 1.15 0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1aic h PRO 77 CO 0.97 -0.32 0.48 0.93 -0.21 0.00 0.00 178.00 179.85 1aic h GLU 78 N -0.50 0.35 -0.18 1.05 4.39 -1.99 -0.46 114.58 117.24 1aic h GLU 78 Ca 0.07 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1aic h GLU 78 Cb 0.65 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1aic h GLU 78 CO -0.47 0.23 0.11 0.35 -1.16 0.00 0.00 179.01 178.07 1aic h PHE 79 N 0.36 0.20 -0.74 4.33 3.57 -1.65 -1.11 116.94 121.90 1aic h PHE 79 Ca 0.35 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 1aic h PHE 79 Cb 0.85 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1aic h PHE 79 CO -0.00 0.12 0.44 0.78 -2.23 0.00 0.00 178.31 177.43 1aic h GLY 80 N 0.22 1.06 1.27 2.40 0.00 -0.70 -1.79 103.07 105.54 1aic h GLY 80 Ca 0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 47.33 46.69 1aic h GLY 80 CO -0.03 0.42 -1.11 3.21 0.00 0.00 0.00 176.54 179.03 1aic h ARG 81 N 1.01 0.63 -0.65 4.80 3.08 -0.99 -2.12 114.38 120.14 1aic h ARG 81 Ca 0.26 -0.74 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 1aic h ARG 81 Cb -0.04 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1aic h ARG 81 CO -0.05 1.32 0.08 0.00 -1.07 0.00 0.00 179.97 180.25 1aic h THR 83 N 1.00 1.13 -0.71 0.00 2.02 -1.21 0.15 112.91 115.30 1aic h THR 83 Ca 0.19 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1aic h THR 83 Cb 0.46 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1aic h THR 83 CO 0.02 0.13 0.32 1.56 0.37 0.00 0.00 175.52 177.91 1aic h GLN 84 N 0.52 1.03 -0.46 6.66 4.20 -1.08 0.88 115.11 126.86 1aic h GLN 84 Ca 0.14 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1aic h GLN 84 Cb 0.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1aic h GLN 84 CO -0.03 0.81 -0.21 0.93 -0.67 0.00 0.00 178.83 179.67 1aic h GLU 85 N 1.02 0.95 -0.55 1.46 5.08 -0.87 -0.66 114.58 121.01 1aic h GLU 85 Ca 0.24 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1aic h GLU 85 Cb 0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1aic h GLU 85 CO -0.03 1.07 0.14 -0.07 -1.00 0.00 0.00 179.01 179.13 1aic h LEU 86 N 0.79 0.82 0.10 1.33 3.38 -0.48 -0.93 115.31 120.32 1aic h LEU 86 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1aic h LEU 86 Cb 0.78 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1aic h LEU 86 CO 0.06 0.84 -0.05 -0.07 0.09 0.00 0.00 178.44 179.31 1aic h LEU 87 N 0.77 -0.11 -1.17 1.67 4.07 -0.76 -3.35 115.31 116.43 1aic h LEU 87 Ca 0.17 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1aic h LEU 87 Cb 0.33 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1aic h LEU 87 CO 0.00 0.49 -0.34 0.49 -1.08 0.00 0.00 178.44 178.00 1aic n PHE 88 N -4.86 0.00 0.00 1.13 3.72 -0.26 -4.78 117.46 112.41 1aic n PHE 88 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1aic n PHE 88 Cb 0.29 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.39 -1.60 0.33 1.37 0.00 -0.35 -4.51 105.19 101.81 1aic n GLY 89 Ca 0.11 -1.50 0.25 0.00 0.00 0.00 0.00 46.02 44.88 1aic n GLY 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aic h LYS 90 N 0.00 0.05 0.00 1.61 2.10 -1.89 -3.15 116.57 115.30 1aic h LYS 90 Ca 0.00 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1aic h LYS 90 Cb 0.00 -0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 31.20 1aic h LYS 90 CO 0.00 0.03 -0.57 0.41 -2.00 0.00 0.00 179.45 177.33 1aic n GLY 91 N -1.34 2.94 3.75 0.07 0.00 -1.26 -5.02 105.19 104.33 1aic n GLY 91 Ca 0.32 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1aic n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aic s SER 92 N -2.36 5.33 0.27 1.61 1.04 -1.19 -4.78 113.70 113.62 1aic s SER 92 Ca 0.28 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.19 1aic s SER 92 Cb 0.29 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 64.37 1aic s SER 92 CO -0.07 -1.50 1.76 0.00 0.98 0.00 0.00 173.24 174.41 1aic h ALA 93 N 1.19 1.33 -1.01 5.32 0.00 -1.94 -0.22 119.26 123.92 1aic h ALA 93 Ca -0.50 0.09 0.24 0.00 0.00 0.00 0.00 54.91 54.74 1aic h ALA 93 Cb 1.29 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1aic h ALA 93 CO 0.56 -0.11 0.61 -0.07 0.00 0.00 0.00 179.25 180.24 1aic h LEU 94 N 0.61 0.67 0.20 0.00 -0.00 -1.95 0.74 115.31 115.59 1aic h LEU 94 Ca 0.48 0.12 -0.33 0.00 -0.00 0.00 0.00 57.88 58.15 1aic h LEU 94 Cb 0.71 0.01 0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1aic h LEU 94 CO -0.38 0.14 -1.60 0.40 -0.00 0.00 0.00 178.44 177.00 1aic h ILE 95 N 0.59 1.08 0.00 1.22 2.04 -1.45 -1.35 117.51 119.64 1aic h ILE 95 Ca 0.63 -2.56 -0.09 0.00 1.00 0.00 0.00 64.86 63.84 1aic h ILE 95 Cb 1.20 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 40.14 1aic h ILE 95 CO -0.43 0.82 -0.41 0.78 0.00 0.00 0.00 178.15 178.91 1aic h ASN 96 N 0.06 0.00 0.15 1.72 2.35 0.61 -1.66 115.58 118.82 1aic h ASN 96 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1aic h ASN 96 Cb 2.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.44 1aic h ASN 96 CO 0.20 0.41 -0.07 0.47 -1.65 0.00 0.00 177.43 176.79 1aic n ASP 97 N -3.27 0.77 -3.32 5.81 8.00 0.23 -4.92 116.55 119.86 1aic n ASP 97 Ca 0.02 -0.99 -0.18 0.00 0.71 0.00 0.00 54.79 54.34 1aic n ASP 97 Cb 0.65 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.82 1aic n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1aic n LYS 98 N -0.57 -6.66 0.00 -1.24 4.76 -0.62 -4.40 118.16 109.42 1aic n LYS 98 Ca 0.18 0.79 0.12 0.00 -2.87 0.00 0.00 58.31 56.52 1aic n LYS 98 Cb 0.28 -5.66 0.18 0.00 -1.84 0.00 0.00 35.03 27.99 1aic n LYS 98 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1aic n ARG 99 N -4.22 1.67 -5.14 1.97 1.74 -0.52 -3.89 116.66 108.27 1aic n ARG 99 Ca -0.17 -1.28 -0.30 0.00 -0.77 0.00 0.00 57.85 55.33 1aic n ARG 99 Cb 0.62 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.21 1.97 -0.01 7.54 0.00 -1.25 -1.75 121.76 126.04 1aic s ALA 100 Ca 0.26 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1aic s ALA 100 Cb 0.19 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1aic s ALA 100 CO 0.42 0.39 -0.23 1.03 0.00 0.00 0.00 175.76 177.36 1aic s ARG 101 N -0.16 1.86 -0.11 0.00 1.81 -0.74 -4.97 118.95 116.65 1aic s ARG 101 Ca -0.02 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.16 1aic s ARG 101 Cb -0.13 -1.82 0.01 0.00 -0.45 0.00 0.00 34.95 32.57 1aic s ARG 101 CO 0.03 0.50 -0.18 0.99 -0.68 0.00 0.00 175.30 175.95 1aic s THR 102 N -0.57 1.71 -0.17 0.02 2.01 -1.26 -1.55 115.64 115.83 1aic s THR 102 Ca 0.09 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1aic s THR 102 Cb -0.09 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1aic s THR 102 CO -0.01 0.48 -0.01 0.00 -0.69 0.00 0.00 174.62 174.40 1aic s ALA 103 N 0.74 3.10 0.51 7.40 0.00 -0.21 -4.88 121.76 128.43 1aic s ALA 103 Ca -0.11 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 1aic s ALA 103 Cb -0.16 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 1aic s ALA 103 CO 0.02 0.14 1.10 -1.14 0.00 0.00 0.00 175.76 175.88 1aic s GLN 104 N 0.48 3.58 0.04 0.00 0.74 0.11 -1.38 119.66 123.23 1aic s GLN 104 Ca -0.02 1.54 -0.05 0.00 0.05 0.00 0.00 55.36 56.89 1aic s GLN 104 Cb -0.14 -2.10 -0.01 0.00 1.10 0.00 0.00 33.01 31.86 1aic s GLN 104 CO 0.02 -0.65 0.08 0.99 -0.55 0.00 0.00 175.29 175.18 1aic s THR 105 N -1.81 0.15 -0.96 -0.34 2.01 -0.41 -4.66 115.64 109.61 1aic s THR 105 Ca 0.69 -1.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 1aic s THR 105 Cb -0.22 -1.00 -0.20 0.00 0.01 0.00 0.00 72.50 71.09 1aic s THR 105 CO 0.25 -0.66 1.97 -2.65 -0.69 0.00 0.00 174.62 172.85 1aic n PRO 106 N 0.62 0.71 0.00 4.92 -0.02 -1.26 -2.53 135.00 137.45 1aic n PRO 106 Ca -0.18 -1.89 0.00 0.00 -2.02 0.00 0.00 63.50 59.41 1aic n PRO 106 Cb 0.59 -3.61 0.00 0.00 -0.02 0.00 0.00 33.50 30.46 1aic n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aic n GLY 107 N 5.74 -1.55 0.35 -1.23 0.00 -1.23 -2.66 105.19 104.62 1aic n GLY 107 Ca 0.44 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 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 1.27 0.93 -0.02 0.00 -1.75 -2.78 103.07 100.72 1aic h GLY 108 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.74 1aic h GLY 108 CO 0.00 0.59 0.55 -0.84 0.00 0.00 0.00 176.54 176.84 1aic h THR 109 N 1.18 1.17 0.00 4.70 2.02 -1.89 -2.14 112.91 117.94 1aic h THR 109 Ca 0.29 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1aic h THR 109 Cb 0.10 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1aic h THR 109 CO -0.04 0.20 -0.18 1.23 0.37 0.00 0.00 175.52 177.10 1aic h GLY 110 N 1.10 0.00 0.94 2.16 0.00 -1.27 -1.72 103.07 104.28 1aic h GLY 110 Ca 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1aic h GLY 110 CO -0.09 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.46 1aic h ALA 111 N 1.82 0.52 0.14 3.60 0.00 -1.14 -0.91 119.26 123.29 1aic h ALA 111 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1aic h ALA 111 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1aic h ALA 111 CO 0.02 0.28 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1aic h LEU 112 N 0.50 -0.16 -0.13 0.00 4.07 -1.13 -1.29 115.31 117.17 1aic h LEU 112 Ca 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1aic h LEU 112 Cb 0.45 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1aic h LEU 112 CO 0.02 -0.09 0.05 -0.09 -1.08 0.00 0.00 178.44 177.24 1aic h ARG 113 N -0.22 0.21 -0.14 1.13 9.65 -1.36 0.14 114.38 123.79 1aic h ARG 113 Ca -0.02 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1aic h ARG 113 Cb 0.17 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1aic h ARG 113 CO 0.03 0.33 -0.10 -0.39 2.80 0.00 0.00 179.97 182.64 1aic h VAL 114 N 0.04 1.15 -0.31 0.20 -1.51 -1.06 -0.70 116.25 114.06 1aic h VAL 114 Ca 0.04 -0.66 -0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1aic h VAL 114 Cb 0.21 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1aic h VAL 114 CO -0.00 0.21 0.19 0.00 -1.23 0.00 0.00 177.57 176.73 1aic h ALA 115 N 1.70 0.39 -0.61 5.19 0.00 -1.06 -1.09 119.26 123.78 1aic h ALA 115 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1aic h ALA 115 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1aic h ALA 115 CO 0.02 -0.11 0.40 0.00 0.00 0.00 0.00 179.25 179.55 1aic h ALA 116 N 1.08 0.77 -0.06 0.00 0.00 -0.39 0.33 119.26 120.99 1aic h ALA 116 Ca 0.11 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1aic h ALA 116 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1aic h ALA 116 CO -0.02 0.20 -0.72 -0.44 0.00 0.00 0.00 179.25 178.27 1aic h ASP 117 N 0.82 0.36 -0.30 0.00 3.32 -0.99 0.60 116.42 120.24 1aic h ASP 117 Ca 0.22 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1aic h ASP 117 Cb -0.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1aic h ASP 117 CO -0.05 0.96 0.05 0.15 -1.72 0.00 0.00 179.24 178.64 1aic h PHE 118 N 0.21 0.52 -0.24 4.55 3.57 -0.76 -1.57 116.94 123.21 1aic h PHE 118 Ca -0.03 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1aic h PHE 118 Cb 1.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1aic h PHE 118 CO 0.03 0.58 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.50 1aic h LEU 119 N 0.31 0.52 -1.57 0.59 4.07 -0.23 -1.64 115.31 117.36 1aic h LEU 119 Ca 0.09 -0.42 -0.05 0.00 0.08 0.00 0.00 57.88 57.59 1aic h LEU 119 Cb 0.34 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1aic h LEU 119 CO 0.01 0.82 -0.22 0.00 -1.08 0.00 0.00 178.44 177.97 1aic h ALA 120 N 0.71 1.31 0.00 1.53 0.00 -0.72 -2.54 119.26 119.56 1aic h ALA 120 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1aic h ALA 120 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1aic h ALA 120 CO 0.04 0.27 -1.54 1.63 0.00 0.00 0.00 179.25 179.65 1aic n LYS 121 N -3.81 0.44 0.00 0.00 5.02 -0.61 -4.50 118.16 114.70 1aic n LYS 121 Ca -0.02 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1aic n LYS 121 Cb 0.32 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1aic n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1aic n ASN 122 N -2.06 0.44 -4.26 4.39 3.02 -0.63 -5.07 115.26 111.08 1aic n ASN 122 Ca -0.01 -0.85 -0.22 0.00 -0.03 0.00 0.00 54.58 53.47 1aic n ASN 122 Cb 0.49 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.68 1aic n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aic s THR 123 N -0.12 0.80 -2.55 3.41 2.01 -0.96 -5.02 115.64 113.20 1aic s THR 123 Ca 0.00 -2.00 0.25 0.00 0.31 0.00 0.00 61.69 60.25 1aic s THR 123 Cb 0.00 -2.56 0.45 0.00 0.01 0.00 0.00 72.50 70.39 1aic s THR 123 CO 0.00 0.00 1.58 -1.54 -0.69 0.00 0.00 174.62 173.97 1aic n SER 124 N -0.93 2.00 -4.67 3.53 3.41 -1.26 -4.78 113.62 110.91 1aic n SER 124 Ca -0.03 -1.69 -0.45 0.00 -0.26 0.00 0.00 58.87 56.45 1aic n SER 124 Cb 0.66 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.55 1.19 -0.55 -3.33 0.31 -1.26 -4.84 118.33 110.40 1aic n VAL 125 Ca 0.17 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1aic n VAL 125 Cb 0.42 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 1.69 0.37 -3.60 5.55 4.81 -1.26 -4.76 118.16 120.95 1aic n LYS 126 Ca 0.10 -0.56 -0.11 0.00 -0.87 0.00 0.00 58.31 56.88 1aic n LYS 126 Cb 0.32 -0.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.60 1aic n LYS 126 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1aic s ARG 129 N -0.21 1.07 -0.14 1.64 0.52 -1.26 -1.59 118.95 118.99 1aic s ARG 129 Ca 0.00 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 1aic s ARG 129 Cb 0.00 0.48 0.05 0.00 0.52 0.00 0.00 34.95 36.00 1aic s ARG 129 CO 0.00 -0.42 0.33 0.54 0.02 0.00 0.00 175.30 175.77 1aic s VAL 133 N -3.52 -0.09 -0.26 3.52 0.11 -0.49 -1.55 120.40 118.13 1aic s VAL 133 Ca 0.01 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 1aic s VAL 133 Cb 0.01 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1aic s VAL 133 CO -0.10 0.06 0.40 0.26 -3.33 0.00 0.00 175.10 172.38 1aic s TRP 134 N 1.46 3.27 0.39 1.54 0.52 -0.41 -0.92 118.94 124.78 1aic s TRP 134 Ca -0.08 0.48 0.08 0.00 0.02 0.00 0.00 56.10 56.59 1aic s TRP 134 Cb -0.10 -2.58 -0.06 0.00 -1.15 0.00 0.00 33.47 29.57 1aic s TRP 134 CO -0.11 -0.20 0.04 0.14 0.02 0.00 0.00 176.95 176.84 1aic s VAL 135 N 1.97 2.26 0.60 4.03 -7.23 0.77 -1.03 120.40 121.77 1aic s VAL 135 Ca 0.16 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1aic s VAL 135 Cb -0.16 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1aic s VAL 135 CO 0.09 -0.07 0.96 -0.94 -0.31 0.00 0.00 175.10 174.82 1aic s SER 136 N -3.75 5.94 -0.29 4.85 1.04 -1.26 -1.19 113.70 119.04 1aic s SER 136 Ca 0.36 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 1aic s SER 136 Cb 0.05 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 64.06 1aic s SER 136 CO 0.19 -0.94 0.03 0.21 0.98 0.00 0.00 173.24 173.71 1aic s ASN 137 N -4.23 4.89 0.71 7.02 3.84 0.08 -2.86 114.94 124.40 1aic s ASN 137 Ca 0.53 -0.98 -0.07 0.00 0.21 0.00 0.00 52.86 52.55 1aic s ASN 137 Cb -0.11 -1.78 0.06 0.00 -0.55 0.00 0.00 41.25 38.88 1aic s ASN 137 CO 0.49 -0.22 1.03 -2.16 -2.79 0.00 0.00 177.10 173.45 1aic s PRO 138 N 1.37 2.18 0.25 0.43 0.04 -1.26 -3.46 135.00 134.55 1aic s PRO 138 Ca -0.01 -0.21 -0.04 0.00 0.04 0.00 0.00 61.00 60.78 1aic s PRO 138 Cb -0.18 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1aic s PRO 138 CO -0.00 -1.27 0.30 0.45 0.04 0.00 0.00 177.00 176.52 1aic s SER 139 N -4.52 0.38 0.00 6.66 0.15 -1.13 -4.61 113.70 110.63 1aic s SER 139 Ca 0.60 -1.32 -0.36 0.00 0.70 0.00 0.00 55.95 55.57 1aic s SER 139 Cb -0.11 0.50 -0.15 0.00 -1.71 0.00 0.00 66.02 64.56 1aic s SER 139 CO 0.45 -1.03 1.59 1.87 1.20 0.00 0.00 173.24 177.32 1aic n TRP 140 N -0.39 1.99 -0.23 3.44 -0.00 -1.15 -4.61 117.44 116.48 1aic n TRP 140 Ca 0.01 0.40 0.20 0.00 -0.00 0.00 0.00 57.50 58.11 1aic n TRP 140 Cb 0.64 -2.48 0.53 0.00 -0.00 0.00 0.00 31.31 30.00 1aic n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1aic h PRO 141 N 6.34 0.36 0.00 5.87 0.11 -2.00 -1.95 132.00 140.74 1aic h PRO 141 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1aic h PRO 141 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1aic h PRO 141 CO 0.88 0.24 0.00 -1.71 -0.21 0.00 0.00 178.00 177.20 1aic n ASN 142 N -4.49 0.00 -0.01 -2.05 5.15 -1.26 -2.76 115.26 109.84 1aic n ASN 142 Ca 0.19 -0.38 -0.08 0.00 -0.60 0.00 0.00 54.58 53.71 1aic n ASN 142 Cb 0.71 -0.19 0.09 0.00 -0.53 0.00 0.00 39.78 39.86 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 0.68 -0.48 1.20 3.86 -1.73 -1.01 115.15 117.67 1aic h HIS 143 Ca 0.00 -0.21 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 1aic h HIS 143 Cb 0.17 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1aic h HIS 143 CO 0.00 0.91 0.00 -0.22 0.86 0.00 0.00 177.93 179.48 1aic h LYS 144 N 0.46 0.85 -0.03 2.45 3.64 -1.72 -2.86 116.57 119.36 1aic h LYS 144 Ca 0.03 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1aic h LYS 144 Cb 0.95 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1aic h LYS 144 CO 0.08 0.89 -0.75 0.77 -2.27 0.00 0.00 179.45 178.18 1aic h SER 145 N 0.71 0.24 -0.01 4.20 0.02 -1.63 -1.11 113.55 115.97 1aic h SER 145 Ca 0.14 -0.17 -0.22 0.00 -0.84 0.00 0.00 61.79 60.70 1aic h SER 145 Cb 0.51 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1aic h SER 145 CO 0.02 0.90 -0.81 -0.37 -1.14 0.00 0.00 176.83 175.44 1aic h VAL 146 N 0.13 1.31 -0.55 2.27 -1.51 -1.14 -0.73 116.25 116.03 1aic h VAL 146 Ca -0.03 -2.07 -0.12 0.00 -1.23 0.00 0.00 66.70 63.26 1aic h VAL 146 Cb 1.32 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 32.54 1aic h VAL 146 CO 0.11 0.64 -0.11 -0.26 -1.23 0.00 0.00 177.57 176.73 1aic h PHE 147 N 0.45 1.17 -0.50 5.19 0.04 -1.49 -2.91 116.94 118.88 1aic h PHE 147 Ca -0.06 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.45 1aic h PHE 147 Cb 1.43 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 1aic h PHE 147 CO 0.08 1.07 0.24 -0.91 -0.60 0.00 0.00 178.31 178.19 1aic h ASN 148 N 0.93 0.65 0.11 2.17 -0.26 -1.10 -2.22 115.58 115.85 1aic h ASN 148 Ca 0.14 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1aic h ASN 148 Cb 0.68 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1aic h ASN 148 CO 0.05 0.59 0.00 -1.54 -1.06 0.00 0.00 177.43 175.47 1aic n SER 149 N -4.61 0.00 0.00 5.81 3.41 -0.29 -0.26 113.62 117.68 1aic n SER 149 Ca 0.02 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1aic n SER 149 Cb 0.11 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 1aic n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aic n ALA 150 N -1.41 4.32 -0.30 7.33 0.00 -0.87 -4.98 120.51 124.60 1aic n ALA 150 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1aic n ALA 150 Cb 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.45 1.70 3.62 0.00 0.00 0.64 -4.84 105.19 107.76 1aic n GLY 151 Ca 0.03 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 3.15 -0.12 0.99 1.02 -1.00 -5.01 118.68 117.69 1aic s LEU 152 Ca 0.00 -0.52 -0.07 0.00 0.02 0.00 0.00 54.13 53.56 1aic s LEU 152 Cb 0.00 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1aic s LEU 152 CO 0.00 0.08 0.14 -0.70 0.02 0.00 0.00 176.35 175.89 1aic s GLU 154 N -3.05 3.47 -0.10 1.70 2.12 -0.62 -4.15 118.70 118.07 1aic s GLU 154 Ca 0.27 -0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.48 1aic s GLU 154 Cb -0.08 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1aic s GLU 154 CO 0.17 0.76 -0.13 0.14 -0.54 0.00 0.00 175.26 175.66 1aic s VAL 155 N -0.98 3.07 0.21 3.70 -7.23 -1.26 -1.40 120.40 116.51 1aic s VAL 155 Ca 0.15 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 59.75 1aic s VAL 155 Cb -0.12 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1aic s VAL 155 CO 0.04 0.55 -0.19 -0.13 -0.31 0.00 0.00 175.10 175.06 1aic s ARG 156 N -0.10 1.70 -0.17 4.82 1.81 -0.10 -4.97 118.95 121.94 1aic s ARG 156 Ca -0.02 -1.51 -0.03 0.00 -1.72 0.00 0.00 55.73 52.46 1aic s ARG 156 Cb -0.14 -1.91 -0.02 0.00 -0.45 0.00 0.00 34.95 32.43 1aic s ARG 156 CO 0.04 0.39 -0.07 -1.21 -0.68 0.00 0.00 175.30 173.77 1aic s GLU 157 N -2.90 3.48 0.42 3.54 2.02 -1.26 -0.16 118.70 123.84 1aic s GLU 157 Ca 0.24 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1aic s GLU 157 Cb -0.07 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 1aic s GLU 157 CO 0.12 0.08 0.63 1.52 0.02 0.00 0.00 175.26 177.64 1aic s TYR 158 N 0.74 3.28 0.59 1.61 1.13 -0.33 -4.86 117.35 119.50 1aic s TYR 158 Ca -0.03 0.24 -0.09 0.00 -1.41 0.00 0.00 57.07 55.78 1aic s TYR 158 Cb -0.15 -2.20 -0.03 0.00 -1.10 0.00 0.00 41.96 38.48 1aic s TYR 158 CO 0.02 -0.23 0.95 0.00 -2.51 0.00 0.00 175.55 173.78 1aic s ALA 159 N -2.48 3.19 0.17 9.51 0.00 -1.26 -0.74 121.76 130.14 1aic s ALA 159 Ca 0.46 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1aic s ALA 159 Cb -0.10 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1aic s ALA 159 CO 0.37 -0.66 0.00 0.98 0.00 0.00 0.00 175.76 176.45 1aic n TYR 160 N -2.62 -2.66 -3.67 0.00 9.36 -1.22 -4.13 117.16 112.21 1aic n TYR 160 Ca 0.04 0.52 -0.34 0.00 3.32 0.00 0.00 57.90 61.45 1aic n TYR 160 Cb 0.55 1.52 -0.05 0.00 -0.63 0.00 0.00 39.34 40.73 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 3.55 -0.44 2.98 5.04 -1.23 -0.35 117.35 124.90 1aic s TYR 161 Ca 0.00 0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 55.15 1aic s TYR 161 Cb 0.00 -2.05 0.08 0.00 0.35 0.00 0.00 41.96 40.34 1aic s TYR 161 CO 0.00 0.53 0.31 0.34 -1.34 0.00 0.00 175.55 175.39 1aic s ASP 162 N -1.96 5.81 0.42 4.32 -1.08 0.78 -4.71 116.67 120.25 1aic s ASP 162 Ca 0.34 -1.48 0.30 0.00 -0.52 0.00 0.00 52.55 51.18 1aic s ASP 162 Cb -0.13 -2.05 1.40 0.00 -1.46 0.00 0.00 42.92 40.68 1aic s ASP 162 CO 0.20 -0.59 1.89 0.00 0.52 0.00 0.00 175.17 177.19 1aic h ALA 163 N 8.52 1.00 0.00 3.66 0.00 -1.97 0.16 119.26 130.63 1aic h ALA 163 Ca -0.25 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1aic h ALA 163 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1aic h ALA 163 CO 0.81 0.00 -0.91 0.39 0.00 0.00 0.00 179.25 179.54 1aic n GLU 164 N -2.61 0.50 0.01 0.00 1.02 -1.26 -4.50 120.64 113.80 1aic n GLU 164 Ca -0.00 0.44 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 1aic n GLU 164 Cb 0.17 -1.62 0.35 0.00 -0.02 0.00 0.00 31.44 30.32 1aic n GLU 164 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1aic n ASN 165 N -4.52 0.41 -2.94 1.62 3.02 -1.21 -4.98 115.26 106.66 1aic n ASN 165 Ca -0.16 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.31 1aic n ASN 165 Cb 0.44 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.63 -2.00 -3.90 3.10 8.25 0.56 -5.04 115.22 114.55 1aic n HIS 166 Ca 0.06 0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 58.12 1aic n HIS 166 Cb 0.36 -3.90 -0.02 0.00 1.12 0.00 0.00 29.99 27.55 1aic n HIS 166 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1aic n THR 167 N -2.98 0.00 -2.81 1.59 -1.04 -1.20 -4.94 114.28 102.90 1aic n THR 167 Ca -0.07 -1.26 -0.42 0.00 -2.04 0.00 0.00 64.05 60.25 1aic n THR 167 Cb 0.60 0.79 -0.04 0.00 -1.82 0.00 0.00 70.33 69.87 1aic n THR 167 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1aic s LEU 168 N 0.00 4.07 -0.70 -4.42 0.20 -1.26 -0.16 118.68 116.41 1aic s LEU 168 Ca 0.21 1.09 -0.20 0.00 0.69 0.00 0.00 54.13 55.91 1aic s LEU 168 Cb -0.01 -3.30 0.10 0.00 -0.43 0.00 0.00 46.19 42.55 1aic s LEU 168 CO 0.15 -0.60 0.92 -0.62 -0.29 0.00 0.00 176.35 175.91 1aic s ASP 169 N 1.36 6.29 0.10 3.68 -1.08 0.53 -4.83 116.67 122.71 1aic s ASP 169 Ca 0.38 -1.39 -0.15 0.00 -0.52 0.00 0.00 52.55 50.87 1aic s ASP 169 Cb -0.15 -2.38 -0.09 0.00 -1.46 0.00 0.00 42.92 38.84 1aic s ASP 169 CO 0.08 -1.24 1.40 0.15 0.52 0.00 0.00 175.17 176.08 1aic h PHE 170 N 9.25 0.86 -0.12 -5.34 3.57 -1.93 -1.80 116.94 121.43 1aic h PHE 170 Ca -0.18 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1aic h PHE 170 Cb 1.06 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1aic h PHE 170 CO 0.97 1.03 0.04 -0.44 -2.23 0.00 0.00 178.31 177.69 1aic h ASP 171 N 0.44 0.18 0.16 0.41 5.19 -1.99 0.12 116.42 120.93 1aic h ASP 171 Ca 0.03 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 1aic h ASP 171 Cb 0.92 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1aic h ASP 171 CO 0.08 0.31 -0.09 0.00 -3.12 0.00 0.00 179.24 176.42 1aic h ALA 172 N 0.87 1.57 -0.07 3.45 0.00 -1.95 -2.36 119.26 120.77 1aic h ALA 172 Ca 0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1aic h ALA 172 Cb 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aic h ALA 172 CO -0.00 0.11 -0.47 1.25 0.00 0.00 0.00 179.25 180.13 1aic h LEU 173 N 0.00 0.53 -0.31 0.00 5.85 -0.24 -1.36 115.31 119.79 1aic h LEU 173 Ca -0.00 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.09 1aic h LEU 173 Cb 0.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1aic h LEU 173 CO 0.01 1.13 0.03 0.40 -0.34 0.00 0.00 178.44 179.66 1aic h ILE 174 N -0.02 0.81 -0.54 4.05 1.08 -0.95 -0.83 117.51 121.11 1aic h ILE 174 Ca -0.04 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1aic h ILE 174 Cb 1.14 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 1aic h ILE 174 CO 0.10 0.02 0.31 0.78 -0.69 0.00 0.00 178.15 178.67 1aic h ASN 175 N 0.12 0.66 0.34 1.72 2.35 -1.43 -0.84 115.58 118.50 1aic h ASN 175 Ca 0.15 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1aic h ASN 175 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1aic h ASN 175 CO -0.22 0.54 -0.38 0.77 -1.65 0.00 0.00 177.43 176.49 1aic h SER 176 N 0.72 0.05 1.02 5.81 4.64 -0.79 -2.13 113.55 122.88 1aic h SER 176 Ca 0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1aic h SER 176 Cb 0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1aic h SER 176 CO -0.03 0.43 0.00 -0.07 -0.87 0.00 0.00 176.83 176.28 1aic h LEU 177 N 0.05 0.00 -1.58 5.97 3.38 -0.02 -2.51 115.31 120.59 1aic h LEU 177 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1aic h LEU 177 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1aic h LEU 177 CO 0.05 0.00 -0.09 0.78 0.09 0.00 0.00 178.44 179.27 1aic h ASN 178 N 0.00 0.00 0.70 -0.43 -0.26 -0.49 -2.21 115.58 112.89 1aic h ASN 178 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1aic h ASN 178 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1aic h ASN 178 CO 0.00 0.09 0.00 -0.33 -1.06 0.00 0.00 177.43 176.13 1aic h GLU 179 N 0.00 0.00 -6.59 0.81 4.39 -1.61 -3.44 114.58 108.15 1aic h GLU 179 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1aic h GLU 179 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1aic h GLU 179 CO 0.01 0.00 0.44 0.00 -1.16 0.00 0.00 179.01 178.30 1aic s ALA 180 N -3.42 3.31 0.84 3.43 0.00 -0.84 -5.04 121.76 120.04 1aic s ALA 180 Ca 0.03 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1aic s ALA 180 Cb 0.09 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 20.02 1aic s ALA 180 CO 0.40 -0.17 1.17 -0.65 0.00 0.00 0.00 175.76 176.51 1aic s GLN 181 N 0.03 1.35 0.20 0.00 1.11 -1.26 -5.03 119.66 116.05 1aic s GLN 181 Ca 0.50 -0.46 -0.30 0.00 0.01 0.00 0.00 55.36 55.11 1aic s GLN 181 Cb -0.27 -2.03 -0.08 0.00 -1.01 0.00 0.00 33.01 29.62 1aic s GLN 181 CO 0.32 -1.86 1.05 0.00 0.01 0.00 0.00 175.29 174.81 1aic s ALA 182 N -3.56 3.35 0.00 6.09 0.00 -1.25 -2.82 121.76 123.57 1aic s ALA 182 Ca 0.68 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1aic s ALA 182 Cb -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1aic s ALA 182 CO 0.49 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1aic n GLY 183 N 1.78 0.54 3.86 0.00 0.00 -0.06 -5.01 105.19 106.30 1aic n GLY 183 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.24 6.67 -0.06 1.61 1.01 -1.13 -4.27 116.67 118.27 1aic s ASP 184 Ca 0.00 0.83 -0.14 0.00 0.71 0.00 0.00 52.55 53.96 1aic s ASP 184 Cb 0.00 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 1aic s ASP 184 CO 0.00 0.16 0.35 0.68 0.21 0.00 0.00 175.17 176.58 1aic s VAL 185 N -1.41 5.17 -0.19 -1.27 -7.23 -0.60 -1.20 120.40 113.67 1aic s VAL 185 Ca 0.34 0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 61.16 1aic s VAL 185 Cb -0.14 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 1aic s VAL 185 CO 0.18 0.53 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.80 1aic s VAL 186 N -0.63 3.89 -0.31 1.32 1.01 -0.39 -1.29 120.40 124.00 1aic s VAL 186 Ca 0.21 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1aic s VAL 186 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1aic s VAL 186 CO 0.10 0.44 0.41 -0.22 0.00 0.00 0.00 175.10 175.83 1aic s LEU 187 N 0.90 4.23 -0.19 3.92 0.20 -0.20 -1.91 118.68 125.64 1aic s LEU 187 Ca 0.01 0.06 -0.08 0.00 0.69 0.00 0.00 54.13 54.81 1aic s LEU 187 Cb -0.14 -2.44 -0.04 0.00 -0.43 0.00 0.00 46.19 43.13 1aic s LEU 187 CO 0.02 -0.30 0.07 -0.36 -0.29 0.00 0.00 176.35 175.48 1aic s PHE 188 N 2.14 3.25 -0.28 5.38 0.08 0.27 -4.54 117.98 124.28 1aic s PHE 188 Ca 0.15 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.97 1aic s PHE 188 Cb -0.16 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1aic s PHE 188 CO 0.11 0.14 1.27 -1.01 -0.10 0.00 0.00 175.22 175.63 1aic s HIS 189 N 0.43 2.75 0.46 0.36 3.76 -1.26 -0.71 115.29 121.08 1aic s HIS 189 Ca 0.03 0.92 0.21 0.00 -0.15 0.00 0.00 55.06 56.08 1aic s HIS 189 Cb -0.12 -3.82 1.29 0.00 1.11 0.00 0.00 32.58 31.03 1aic s HIS 189 CO 0.00 -1.62 2.07 0.78 -0.85 0.00 0.00 174.74 175.12 1aic h GLY 190 N 10.62 0.00 -3.58 -2.22 0.00 -0.85 -3.45 103.07 103.59 1aic h GLY 190 Ca -0.26 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.30 1aic h GLY 190 CO 1.02 0.00 0.74 0.00 0.00 0.00 0.00 176.54 178.30 1aic n HIS 193 N -4.05 1.55 -2.98 0.00 -0.00 -1.26 -4.72 115.22 103.75 1aic n HIS 193 Ca -0.21 0.69 -0.41 0.00 0.46 0.00 0.00 57.72 58.25 1aic n HIS 193 Cb 0.65 -2.36 -0.05 0.00 -0.12 0.00 0.00 29.99 28.11 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 5.24 6.88 0.00 0.26 2.47 -1.26 0.01 114.94 128.53 1aic s ASN 194 Ca 1.11 1.07 0.23 0.00 0.42 0.00 0.00 52.86 55.69 1aic s ASN 194 Cb -1.28 -2.42 0.27 0.00 -1.45 0.00 0.00 41.25 36.38 1aic s ASN 194 CO 0.65 -0.32 1.29 -0.81 -3.72 0.00 0.00 177.10 174.19 1aic n PRO 195 N 4.98 2.32 0.00 0.43 -0.04 -1.26 -2.94 135.00 138.49 1aic n PRO 195 Ca 0.02 -2.03 -0.13 0.00 -0.04 0.00 0.00 63.50 61.31 1aic n PRO 195 Cb 0.49 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1aic n PRO 195 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1aic h THR 196 N 4.48 0.87 -0.14 0.52 2.02 -1.62 -3.16 112.91 115.88 1aic h THR 196 Ca 0.00 -2.65 -0.06 0.00 0.77 0.00 0.00 66.41 64.47 1aic h THR 196 Cb 0.97 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1aic h THR 196 CO 0.00 0.68 -0.06 0.61 0.37 0.00 0.00 175.52 177.13 1aic n GLY 197 N 1.69 0.46 3.74 2.16 0.00 0.10 -4.44 105.19 108.91 1aic n GLY 197 Ca -0.20 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.63 5.38 0.07 -0.61 1.01 -1.26 0.00 121.20 124.16 1aic s ILE 198 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1aic s ILE 198 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1aic s ILE 198 CO 0.00 0.44 -0.16 -1.81 0.00 0.00 0.00 174.94 173.41 1aic s ASP 199 N 0.26 1.86 0.69 3.58 1.01 -1.26 -4.43 116.67 118.38 1aic s ASP 199 Ca 0.12 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.60 1aic s ASP 199 Cb -0.12 -0.08 0.02 0.00 1.01 0.00 0.00 42.92 43.75 1aic s ASP 199 CO 0.01 -0.03 1.26 -2.84 0.21 0.00 0.00 175.17 173.78 1aic s PRO 200 N -1.69 2.30 0.84 8.23 0.02 -1.26 -5.01 135.00 138.43 1aic s PRO 200 Ca 0.00 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1aic s PRO 200 Cb -0.10 -1.83 0.10 0.00 0.02 0.00 0.00 34.50 32.69 1aic s PRO 200 CO 0.03 -1.76 1.16 0.95 -0.33 0.00 0.00 177.00 177.05 1aic s THR 201 N -1.64 2.10 0.31 0.99 -4.23 -1.26 -4.78 115.64 107.13 1aic s THR 201 Ca 0.79 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1aic s THR 201 Cb -0.34 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.82 1aic s THR 201 CO 0.43 -0.04 1.98 0.25 -0.54 0.00 0.00 174.62 176.70 1aic h LEU 202 N -1.18 0.88 -0.90 4.79 5.85 -1.98 -0.37 115.31 122.39 1aic h LEU 202 Ca -0.47 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1aic h LEU 202 Cb 1.33 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1aic h LEU 202 CO 0.64 0.64 0.49 -0.33 -0.34 0.00 0.00 178.44 179.55 1aic h GLU 203 N 1.04 1.26 -0.44 1.25 5.08 -1.99 -0.58 114.58 120.20 1aic h GLU 203 Ca 0.28 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1aic h GLU 203 Cb -0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.87 1aic h GLU 203 CO -0.06 0.93 -0.14 1.96 -1.00 0.00 0.00 179.01 180.69 1aic h GLN 204 N 1.27 0.88 -0.66 2.33 4.20 -1.78 -2.50 115.11 118.85 1aic h GLN 204 Ca 0.32 -0.35 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1aic h GLN 204 Cb 0.03 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1aic h GLN 204 CO -0.05 1.00 0.41 -1.49 -0.67 0.00 0.00 178.83 178.02 1aic h TRP 205 N 0.71 0.76 -0.06 2.96 -0.00 -0.41 0.02 115.95 119.94 1aic h TRP 205 Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.97 1aic h TRP 205 Cb 0.69 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.60 1aic h TRP 205 CO 0.05 0.43 -0.21 1.96 -0.00 0.00 0.00 178.44 180.66 1aic h GLN 206 N 0.79 0.09 0.17 0.49 4.20 -1.10 0.31 115.11 120.07 1aic h GLN 206 Ca 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1aic h GLN 206 Cb 0.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1aic h GLN 206 CO -0.11 0.31 -0.08 1.15 -0.67 0.00 0.00 178.83 179.42 1aic h THR 207 N 0.09 0.94 -0.57 -0.54 2.02 -0.60 -2.31 112.91 111.94 1aic h THR 207 Ca 0.02 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1aic h THR 207 Cb 0.43 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1aic h THR 207 CO 0.03 0.15 0.36 -0.07 0.37 0.00 0.00 175.52 176.36 1aic h LEU 208 N -0.57 0.66 -0.19 2.58 3.38 -0.68 -0.64 115.31 119.86 1aic h LEU 208 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aic h LEU 208 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1aic h LEU 208 CO 0.04 0.49 0.12 0.00 0.09 0.00 0.00 178.44 179.18 1aic h ALA 209 N 1.62 0.24 -0.23 1.53 0.00 -0.18 -0.38 119.26 121.86 1aic h ALA 209 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1aic h ALA 209 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1aic h ALA 209 CO -0.04 -0.27 -0.22 0.37 0.00 0.00 0.00 179.25 179.09 1aic h GLN 210 N 0.24 0.55 -0.91 0.00 5.75 -0.89 -2.48 115.11 117.37 1aic h GLN 210 Ca 0.07 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1aic h GLN 210 Cb -0.01 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1aic h GLN 210 CO -0.01 0.87 0.60 1.25 -2.65 0.00 0.00 178.83 178.89 1aic h LEU 211 N 0.24 1.03 -1.25 -2.39 5.85 -1.08 -2.62 115.31 115.09 1aic h LEU 211 Ca 0.04 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1aic h LEU 211 Cb 0.77 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1aic h LEU 211 CO 0.05 0.74 0.17 -1.28 -0.34 0.00 0.00 178.44 177.78 1aic h SER 212 N 1.22 0.62 -0.46 1.25 0.87 -0.68 -2.09 113.55 114.28 1aic h SER 212 Ca 0.34 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1aic h SER 212 Cb -0.11 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1aic h SER 212 CO -0.08 0.58 0.06 0.58 -0.53 0.00 0.00 176.83 177.44 1aic h VAL 213 N 0.68 1.25 0.00 2.23 2.07 -1.08 -2.44 116.25 118.96 1aic h VAL 213 Ca 0.16 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 1aic h VAL 213 Cb 0.17 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1aic h VAL 213 CO -0.01 0.33 -0.83 1.05 0.02 0.00 0.00 177.57 178.13 1aic h GLU 214 N 0.64 0.00 0.00 1.57 4.11 -1.41 -3.30 114.58 116.19 1aic h GLU 214 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1aic h GLU 214 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1aic h GLU 214 CO 0.01 0.48 -0.83 1.63 0.07 0.00 0.00 179.01 180.37 1aic n LYS 215 N -3.13 0.38 -1.12 1.06 4.01 -0.80 -5.02 118.16 113.53 1aic n LYS 215 Ca -0.02 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1aic n LYS 215 Cb 0.79 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1aic n LYS 215 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aic n GLY 216 N 1.30 1.04 3.81 0.72 0.00 -0.94 -3.91 105.19 107.20 1aic n GLY 216 Ca 0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 3.11 -0.26 1.61 0.23 -1.05 -0.88 118.94 119.70 1aic s TRP 217 Ca 0.00 1.55 -0.15 0.00 -2.03 0.00 0.00 56.10 55.47 1aic s TRP 217 Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 33.47 30.49 1aic s TRP 217 CO 0.00 -0.72 0.40 -1.17 0.96 0.00 0.00 176.95 176.42 1aic s LEU 218 N -3.77 4.06 0.15 2.99 2.96 -0.34 -4.87 118.68 119.86 1aic s LEU 218 Ca 0.64 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 1aic s LEU 218 Cb -0.14 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 1aic s LEU 218 CO 0.25 -0.18 1.23 -2.84 -1.32 0.00 0.00 176.35 173.49 1aic s PRO 219 N 2.00 4.45 -0.25 0.98 0.02 -1.26 -1.26 135.00 139.68 1aic s PRO 219 Ca 0.16 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1aic s PRO 219 Cb -0.16 -3.26 0.07 0.00 0.02 0.00 0.00 34.50 31.18 1aic s PRO 219 CO 0.09 -0.18 -0.01 -1.17 -0.33 0.00 0.00 177.00 175.40 1aic s LEU 220 N 0.20 2.48 -0.04 -5.54 2.96 -0.80 -1.57 118.68 116.37 1aic s LEU 220 Ca 0.56 -1.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.03 1aic s LEU 220 Cb -0.33 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 1aic s LEU 220 CO 0.35 -0.28 0.49 -0.36 -1.32 0.00 0.00 176.35 175.23 1aic s PHE 221 N 1.46 3.65 -0.24 5.38 0.40 -0.43 -0.56 117.98 127.62 1aic s PHE 221 Ca -0.02 1.03 -0.00 0.00 -0.60 0.00 0.00 56.93 57.34 1aic s PHE 221 Cb -0.18 -2.48 0.03 0.00 0.51 0.00 0.00 43.02 40.90 1aic s PHE 221 CO -0.09 0.39 -0.09 0.34 0.70 0.00 0.00 175.22 176.48 1aic s ASP 222 N -0.25 4.19 -0.70 1.36 2.15 0.11 -0.92 116.67 122.62 1aic s ASP 222 Ca 0.27 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.29 1aic s ASP 222 Cb -0.17 -1.61 0.17 0.00 -0.30 0.00 0.00 42.92 41.01 1aic s ASP 222 CO 0.14 -0.13 0.51 0.12 -0.17 0.00 0.00 175.17 175.63 1aic s PHE 223 N 1.27 3.55 -0.64 -5.34 2.19 0.34 -0.08 117.98 119.27 1aic s PHE 223 Ca -0.01 -3.16 0.22 0.00 0.33 0.00 0.00 56.93 54.30 1aic s PHE 223 Cb -0.17 -2.92 -0.21 0.00 -1.31 0.00 0.00 43.02 38.41 1aic s PHE 223 CO -0.06 -0.67 0.80 0.00 1.83 0.00 0.00 175.22 177.12 1aic n ALA 224 N 2.47 3.93 -2.54 11.12 0.00 -1.26 -2.74 120.51 131.49 1aic n ALA 224 Ca 0.16 -0.54 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 1aic n ALA 224 Cb 0.35 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.81 2.64 -2.13 0.00 4.01 -1.26 -4.44 117.16 114.17 1aic n TYR 225 Ca 0.01 -2.99 -0.42 0.00 -0.16 0.00 0.00 57.90 54.33 1aic n TYR 225 Cb 0.42 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1aic n TYR 225 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1aic s GLN 226 N -3.40 4.23 0.00 -0.72 0.74 -1.26 -2.78 119.66 116.46 1aic s GLN 226 Ca 0.41 2.05 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1aic s GLN 226 Cb 0.42 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1aic s GLN 226 CO -0.11 -0.71 0.00 0.41 -0.55 0.00 0.00 175.29 174.33 1aic n GLY 227 N 3.86 1.10 0.58 2.59 0.00 -1.26 -4.71 105.19 107.35 1aic n GLY 227 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.34 0.00 -4.36 1.61 3.01 -1.12 -4.47 117.46 111.79 1aic n PHE 228 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1aic n PHE 228 Cb 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.30 1aic n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aic s ALA 229 N -1.51 1.32 0.00 4.37 0.00 -1.26 -3.26 121.76 121.42 1aic s ALA 229 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1aic s ALA 229 Cb 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1aic s ALA 229 CO 0.26 -0.06 0.00 0.54 0.00 0.00 0.00 175.76 176.49 1aic n ARG 230 N 4.19 0.00 0.00 0.00 1.74 -1.26 -4.67 116.66 116.66 1aic n ARG 230 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1aic n ARG 230 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1aic n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aic n GLY 231 N 0.00 0.51 0.31 -0.13 0.00 -1.26 -4.99 105.19 99.63 1aic n GLY 231 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 0.61 0.07 0.99 4.07 -1.87 -1.41 115.31 117.76 1aic h LEU 233 Ca 0.00 0.07 -0.32 0.00 0.08 0.00 0.00 57.88 57.71 1aic h LEU 233 Cb 0.00 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 1aic h LEU 233 CO 0.00 0.31 -1.76 -0.62 -1.08 0.00 0.00 178.44 175.29 1aic n GLU 234 N -4.80 0.67 -0.32 1.13 -0.58 -1.26 -4.02 120.64 111.47 1aic n GLU 234 Ca 0.15 0.38 0.16 0.00 -0.42 0.00 0.00 57.16 57.44 1aic n GLU 234 Cb 0.36 -1.71 0.40 0.00 -0.57 0.00 0.00 31.44 29.92 1aic n GLU 234 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aic h GLU 235 N -0.39 0.60 0.00 3.49 3.07 -1.92 0.01 114.58 119.43 1aic h GLU 235 Ca -0.41 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1aic h GLU 235 Cb 1.73 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 1aic h GLU 235 CO -0.06 0.40 0.00 -0.44 -1.40 0.00 0.00 179.01 177.51 1aic h ASP 236 N 0.62 0.00 -0.26 1.42 5.19 -1.39 -2.75 116.42 119.24 1aic h ASP 236 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1aic h ASP 236 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1aic h ASP 236 CO -0.31 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.81 1aic n ALA 237 N -1.94 2.42 -0.35 3.45 0.00 -0.02 -4.49 120.51 119.58 1aic n ALA 237 Ca 0.02 -0.89 0.11 0.00 0.00 0.00 0.00 53.44 52.68 1aic n ALA 237 Cb 0.31 -0.78 0.31 0.00 0.00 0.00 0.00 19.45 19.29 1aic n ALA 237 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1aic h GLU 238 N 4.19 0.79 -0.14 0.00 4.81 -1.35 0.49 114.58 123.37 1aic h GLU 238 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1aic h GLU 238 Cb 0.93 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1aic h GLU 238 CO 0.00 0.52 -0.11 0.78 -0.73 0.00 0.00 179.01 179.47 1aic h GLY 239 N 0.81 0.34 1.20 1.92 0.00 -1.80 -1.85 103.07 103.69 1aic h GLY 239 Ca 0.54 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1aic h GLY 239 CO -0.32 0.30 0.05 -2.00 0.00 0.00 0.00 176.54 174.57 1aic h LEU 240 N -0.05 0.93 -1.20 3.11 7.12 -1.56 -2.71 115.31 120.95 1aic h LEU 240 Ca 0.03 -0.23 -0.05 0.00 0.13 0.00 0.00 57.88 57.76 1aic h LEU 240 Cb 0.61 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1aic h LEU 240 CO 0.03 0.96 -0.24 0.03 -0.13 0.00 0.00 178.44 179.09 1aic h ARG 241 N 0.91 0.00 0.09 1.25 3.08 0.03 0.36 114.38 120.10 1aic h ARG 241 Ca 0.18 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.99 1aic h ARG 241 Cb 0.46 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.53 1aic h ARG 241 CO 0.02 0.24 -1.00 0.00 -1.07 0.00 0.00 179.97 178.16 1aic h ALA 242 N 1.76 -0.00 -0.82 0.04 0.00 -1.09 -2.21 119.26 116.94 1aic h ALA 242 Ca -0.00 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1aic h ALA 242 Cb 0.71 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1aic h ALA 242 CO 0.03 0.54 0.54 0.74 0.00 0.00 0.00 179.25 181.10 1aic h PHE 243 N 0.06 1.01 0.00 0.00 -1.00 -1.17 -2.64 116.94 113.20 1aic h PHE 243 Ca -0.15 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 1aic h PHE 243 Cb 1.71 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.93 1aic h PHE 243 CO 0.14 0.62 -0.06 0.00 -1.61 0.00 0.00 178.31 177.40 1aic h ALA 244 N 1.32 1.04 -0.24 2.45 0.00 -0.95 0.43 119.26 123.31 1aic h ALA 244 Ca 0.31 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1aic h ALA 244 Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1aic h ALA 244 CO -0.08 0.07 -0.28 0.00 0.00 0.00 0.00 179.25 178.95 1aic h ALA 245 N 1.94 1.06 -0.00 0.00 0.00 -1.01 -3.34 119.26 117.92 1aic h ALA 245 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1aic h ALA 245 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aic h ALA 245 CO 0.01 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1aic n MET 246 N -4.10 3.53 -3.70 0.00 -0.00 -0.88 -5.00 117.12 106.98 1aic n MET 246 Ca -0.01 -0.26 -0.36 0.00 -0.00 0.00 0.00 57.70 57.08 1aic n MET 246 Cb 0.43 -0.79 -0.06 0.00 -0.00 0.00 0.00 33.22 32.80 1aic n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1aic s HIS 247 N -0.85 3.61 0.03 3.17 4.02 0.09 -4.97 115.29 120.39 1aic s HIS 247 Ca 0.02 0.68 -0.18 0.00 1.02 0.00 0.00 55.06 56.59 1aic s HIS 247 Cb 0.02 -2.06 -0.22 0.00 -1.02 0.00 0.00 32.58 29.30 1aic s HIS 247 CO 0.08 0.62 1.15 0.87 1.02 0.00 0.00 174.74 178.48 1aic h LYS 248 N 4.22 0.49 -4.84 1.40 1.79 -1.90 -3.47 116.57 114.26 1aic h LYS 248 Ca -0.51 -0.48 -0.36 0.00 -2.18 0.00 0.00 60.65 57.12 1aic h LYS 248 Cb 1.21 0.13 -0.24 0.00 -1.58 0.00 0.00 32.23 31.74 1aic h LYS 248 CO 0.64 1.12 -0.76 -1.21 -1.08 0.00 0.00 179.45 178.16 1aic s GLU 249 N -3.36 0.68 -0.00 3.15 2.02 -1.26 -3.14 118.70 116.78 1aic s GLU 249 Ca -0.13 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 1aic s GLU 249 Cb 0.05 -0.59 0.10 0.00 0.10 0.00 0.00 34.13 33.79 1aic s GLU 249 CO 0.84 0.14 1.06 -0.48 0.02 0.00 0.00 175.26 176.83 1aic s LEU 250 N -1.12 -0.20 0.02 1.80 2.34 -1.12 -4.61 118.68 115.79 1aic s LEU 250 Ca -0.03 -0.14 0.03 0.00 0.06 0.00 0.00 54.13 54.06 1aic s LEU 250 Cb -0.08 1.79 -0.01 0.00 -0.56 0.00 0.00 46.19 47.33 1aic s LEU 250 CO 0.01 -0.55 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.02 1aic s ILE 251 N -2.87 0.76 -0.04 1.48 1.01 -0.61 -1.23 121.20 119.69 1aic s ILE 251 Ca 0.10 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1aic s ILE 251 Cb 0.00 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1aic s ILE 251 CO -0.04 0.03 -0.07 -0.69 0.00 0.00 0.00 174.94 174.17 1aic s VAL 252 N -0.59 0.69 -0.15 2.92 1.01 -0.32 -1.32 120.40 122.65 1aic s VAL 252 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1aic s VAL 252 Cb -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1aic s VAL 252 CO 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 1aic s ALA 253 N 0.56 2.25 0.36 5.51 0.00 -0.09 -0.47 121.76 129.89 1aic s ALA 253 Ca -0.09 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1aic s ALA 253 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1aic s ALA 253 CO 0.01 -0.09 0.09 -1.54 0.00 0.00 0.00 175.76 174.23 1aic s SER 254 N 0.91 2.48 -0.11 0.00 1.04 -0.57 -0.51 113.70 116.95 1aic s SER 254 Ca -0.05 -1.52 -0.15 0.00 0.48 0.00 0.00 55.95 54.72 1aic s SER 254 Cb -0.15 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.23 1aic s SER 254 CO -0.04 -0.78 0.38 -0.55 0.98 0.00 0.00 173.24 173.24 1aic s SER 255 N -3.53 -0.37 -0.09 7.02 0.15 -1.11 -2.06 113.70 113.71 1aic s SER 255 Ca 0.30 0.63 0.13 0.00 0.70 0.00 0.00 55.95 57.71 1aic s SER 255 Cb 0.06 0.68 0.37 0.00 -1.71 0.00 0.00 66.02 65.42 1aic s SER 255 CO 0.15 -0.22 1.29 -1.22 1.20 0.00 0.00 173.24 174.43 1aic n TYR 256 N 2.44 0.57 -0.02 3.44 4.01 -0.31 -4.66 117.16 122.63 1aic n TYR 256 Ca -0.15 -0.72 -0.12 0.00 -0.16 0.00 0.00 57.90 56.75 1aic n TYR 256 Cb 0.57 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.48 0.13 0.07 7.72 0.02 -1.83 -3.13 113.55 118.01 1aic h SER 257 Ca 0.00 -0.18 -0.25 0.00 -0.84 0.00 0.00 61.79 60.52 1aic h SER 257 Cb 1.05 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1aic h SER 257 CO 0.10 0.28 -1.28 0.45 -1.14 0.00 0.00 176.83 175.23 1aic h HIS 258 N -0.03 0.29 0.00 3.45 3.86 -1.83 -2.15 115.15 118.74 1aic h HIS 258 Ca 0.03 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1aic h HIS 258 Cb 0.19 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1aic h HIS 258 CO -0.01 1.50 0.00 -2.95 0.86 0.00 0.00 177.93 177.33 1aic h ASN 259 N -0.52 0.00 -0.01 2.45 7.08 -1.84 -3.05 115.58 119.69 1aic h ASN 259 Ca -0.30 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.92 1aic h ASN 259 Cb 1.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.83 1aic h ASN 259 CO -0.02 0.00 -0.20 0.49 -2.08 0.00 0.00 177.43 175.62 1aic n PHE 260 N -2.74 0.00 -2.30 4.14 3.01 -1.18 -4.79 117.46 113.60 1aic n PHE 260 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.32 1aic n PHE 260 Cb 0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.85 1aic n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aic n GLY 261 N 1.05 -0.28 1.98 1.37 0.00 -1.09 -4.63 105.19 103.60 1aic n GLY 261 Ca 0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.48 6.13 -0.01 0.99 7.94 -0.83 -4.82 117.00 123.91 1aic n LEU 262 Ca -0.21 -4.17 -0.10 0.00 -1.11 0.00 0.00 56.01 50.42 1aic n LEU 262 Cb 0.65 -0.74 -0.04 0.00 0.53 0.00 0.00 43.42 43.83 1aic n LEU 262 CO 0.24 1.50 0.63 1.88 -1.11 0.00 0.00 177.39 180.54 1aic h TYR 263 N 1.65 -0.94 -0.20 1.96 0.05 -1.83 -2.05 116.97 115.60 1aic h TYR 263 Ca 0.48 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.30 1aic h TYR 263 Cb 1.52 0.44 0.00 0.00 1.01 0.00 0.00 36.73 39.69 1aic h TYR 263 CO 1.25 -0.41 0.00 0.27 -1.05 0.00 0.00 178.16 178.22 1aic n ASN 264 N -5.41 1.35 -0.51 3.88 0.23 -1.26 -3.59 115.26 109.95 1aic n ASN 264 Ca -0.03 -1.82 0.11 0.00 -0.53 0.00 0.00 54.58 52.31 1aic n ASN 264 Cb 0.33 -0.13 -0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.17 1.30 -2.64 -3.83 -0.58 -0.77 -5.02 120.64 109.26 1aic n GLU 265 Ca 0.12 -1.02 -0.01 0.00 -0.42 0.00 0.00 57.16 55.83 1aic n GLU 265 Cb 0.24 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.03 -3.18 -3.84 3.49 5.12 -1.24 -4.48 116.66 112.56 1aic n ARG 266 Ca 0.09 2.59 -0.29 0.00 -1.93 0.00 0.00 57.85 58.32 1aic n ARG 266 Cb 0.46 -5.13 -0.16 0.00 -1.16 0.00 0.00 32.46 26.47 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 -1.61 0.98 0.22 1.55 1.01 -1.26 -3.48 120.40 117.81 1aic s VAL 267 Ca 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1aic s VAL 267 Cb -0.01 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1aic s VAL 267 CO 0.73 -0.09 0.44 0.61 0.00 0.00 0.00 175.10 176.80 1aic n GLY 268 N 4.89 1.42 3.34 4.51 0.00 -1.05 -1.16 105.19 117.14 1aic n GLY 268 Ca -0.11 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1aic n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aic s ALA 269 N -1.60 -0.49 -0.10 4.61 0.00 -0.87 -1.29 121.76 122.02 1aic s ALA 269 Ca 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1aic s ALA 269 Cb -0.03 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1aic s ALA 269 CO 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 175.76 175.18 1aic s THR 271 N 1.93 3.96 -0.19 0.00 2.01 0.39 -1.04 115.64 122.70 1aic s THR 271 Ca 0.04 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1aic s THR 271 Cb -0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1aic s THR 271 CO -0.06 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.59 1aic s LEU 272 N -0.21 2.93 0.11 4.42 1.43 -0.60 -1.17 118.68 125.59 1aic s LEU 272 Ca 0.04 -0.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1aic s LEU 272 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1aic s LEU 272 CO 0.02 0.06 -0.23 0.68 0.23 0.00 0.00 176.35 177.11 1aic s VAL 273 N 1.01 2.50 0.02 -1.59 -7.23 -0.37 -1.78 120.40 112.97 1aic s VAL 273 Ca 0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1aic s VAL 273 Cb -0.15 -2.11 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1aic s VAL 273 CO 0.00 0.14 0.01 0.00 -0.31 0.00 0.00 175.10 174.94 1aic n ALA 274 N 1.01 0.04 0.15 1.32 0.00 -0.72 -2.79 120.51 119.51 1aic n ALA 274 Ca -0.17 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1aic n ALA 274 Cb 0.53 0.09 0.20 0.00 0.00 0.00 0.00 19.45 20.26 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 1.04 0.90 -2.95 0.00 0.00 -1.86 -3.43 119.26 112.96 1aic h ALA 275 Ca -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1aic h ALA 275 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1aic h ALA 275 CO 0.03 0.68 0.02 0.16 0.00 0.00 0.00 179.25 180.14 1aic s ASP 276 N -6.63 0.40 0.02 0.00 1.47 -1.26 -5.00 116.67 105.67 1aic s ASP 276 Ca -0.00 -1.26 -0.22 0.00 1.18 0.00 0.00 52.55 52.26 1aic s ASP 276 Cb 0.11 0.74 -0.16 0.00 -0.34 0.00 0.00 42.92 43.27 1aic s ASP 276 CO 0.73 -1.45 1.29 0.77 0.68 0.00 0.00 175.17 177.20 1aic h SER 277 N 2.07 0.31 0.20 2.11 4.64 -1.77 -2.76 113.55 118.35 1aic h SER 277 Ca -0.29 -0.52 -0.03 0.00 -0.47 0.00 0.00 61.79 60.47 1aic h SER 277 Cb 1.25 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1aic h SER 277 CO 0.38 0.77 -0.16 1.05 -0.87 0.00 0.00 176.83 178.01 1aic h GLU 278 N -0.14 0.00 -0.16 4.77 -0.00 -1.96 0.10 114.58 117.20 1aic h GLU 278 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.28 1aic h GLU 278 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1aic h GLU 278 CO 0.03 0.16 -0.27 1.15 -0.00 0.00 0.00 179.01 180.08 1aic h THR 279 N 0.00 1.36 0.00 -1.06 2.02 -1.98 -1.71 112.91 111.54 1aic h THR 279 Ca -0.00 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1aic h THR 279 Cb 0.30 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1aic h THR 279 CO 0.02 0.45 -0.32 1.62 0.37 0.00 0.00 175.52 177.66 1aic h VAL 280 N 0.08 0.82 -0.12 3.16 3.04 -0.84 -0.15 116.25 122.25 1aic h VAL 280 Ca 0.01 -1.34 -0.04 0.00 -1.01 0.00 0.00 66.70 64.32 1aic h VAL 280 Cb 0.86 1.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1aic h VAL 280 CO 0.06 0.32 -0.07 0.44 -1.01 0.00 0.00 177.57 177.31 1aic h ASP 281 N 0.00 0.27 -0.96 3.17 5.19 -0.78 0.00 116.42 123.31 1aic h ASP 281 Ca -0.00 -0.43 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1aic h ASP 281 Cb 0.80 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.19 1aic h ASP 281 CO 0.04 0.64 0.64 -0.09 -3.12 0.00 0.00 179.24 177.34 1aic h ARG 282 N -0.10 1.27 -0.07 3.56 2.43 -0.59 -2.71 114.38 118.17 1aic h ARG 282 Ca 0.03 -0.08 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1aic h ARG 282 Cb 0.54 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1aic h ARG 282 CO 0.02 0.84 -0.84 0.00 -1.51 0.00 0.00 179.97 178.48 1aic h ALA 283 N 1.40 0.39 0.00 2.80 0.00 -1.03 -3.24 119.26 119.59 1aic h ALA 283 Ca 0.35 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1aic h ALA 283 Cb -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1aic h ALA 283 CO -0.08 0.74 -0.17 0.35 0.00 0.00 0.00 179.25 180.10 1aic h PHE 284 N 0.36 0.00 -0.78 0.00 3.57 -0.75 -1.75 116.94 117.59 1aic h PHE 284 Ca -0.06 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1aic h PHE 284 Cb 1.45 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 1aic h PHE 284 CO 0.07 0.17 0.33 0.66 -2.23 0.00 0.00 178.31 177.31 1aic h SER 285 N 0.00 1.06 1.00 0.41 4.64 -1.51 0.32 113.55 119.47 1aic h SER 285 Ca -0.00 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.07 1aic h SER 285 Cb 0.36 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1aic h SER 285 CO 0.02 0.92 -0.45 1.56 -0.87 0.00 0.00 176.83 178.01 1aic h GLN 286 N 1.13 0.00 -0.44 4.77 1.08 -1.52 0.93 115.11 121.06 1aic h GLN 286 Ca 0.26 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.35 1aic h GLN 286 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1aic h GLN 286 CO -0.03 0.45 -0.18 1.98 -0.95 0.00 0.00 178.83 180.11 1aic h MET 287 N 0.00 0.89 -0.30 1.46 4.05 -0.56 -2.61 114.93 117.87 1aic h MET 287 Ca -0.00 -0.38 -0.18 0.00 -0.28 0.00 0.00 59.70 58.86 1aic h MET 287 Cb 1.08 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1aic h MET 287 CO 0.06 1.03 -0.51 0.87 0.23 0.00 0.00 176.91 178.58 1aic h LYS 288 N 0.72 0.85 -0.86 0.39 1.57 -0.16 -2.20 116.57 116.89 1aic h LYS 288 Ca 0.10 -0.52 0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1aic h LYS 288 Cb 0.74 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1aic h LYS 288 CO 0.06 1.15 0.56 0.00 -0.57 0.00 0.00 179.45 180.65 1aic h ALA 289 N 0.75 1.85 -0.27 3.86 0.00 -0.80 -1.76 119.26 122.89 1aic h ALA 289 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1aic h ALA 289 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1aic h ALA 289 CO 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.34 1aic h ALA 290 N 1.60 0.36 0.11 0.00 0.00 -1.02 -3.01 119.26 117.30 1aic h ALA 290 Ca 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1aic h ALA 290 Cb 0.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1aic h ALA 290 CO -0.18 0.04 -0.07 0.82 0.00 0.00 0.00 179.25 179.86 1aic h ILE 291 N 0.26 0.85 -0.13 0.00 2.04 -1.02 -2.83 117.51 116.68 1aic h ILE 291 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1aic h ILE 291 Cb 0.33 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1aic h ILE 291 CO 0.01 0.00 0.21 -0.09 0.00 0.00 0.00 178.15 178.27 1aic h ARG 292 N -0.18 0.00 -0.06 2.37 9.65 -1.33 0.37 114.38 125.20 1aic h ARG 292 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1aic h ARG 292 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1aic h ARG 292 CO 0.01 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.78 1aic n ALA 293 N -2.22 2.51 -0.01 2.80 0.00 -1.08 -3.95 120.51 118.56 1aic n ALA 293 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1aic n ALA 293 Cb 0.31 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.82 0.38 0.00 0.00 4.05 0.11 -4.94 115.26 115.68 1aic n ASN 294 Ca 0.17 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.25 1aic n ASN 294 Cb 0.48 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 41.16 1aic n ASN 294 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aic n TYR 295 N -2.87 0.00 0.00 1.20 0.18 -0.29 -5.03 117.16 110.35 1aic n TYR 295 Ca -0.02 -0.19 0.00 0.00 1.88 0.00 0.00 57.90 59.57 1aic n TYR 295 Cb 0.07 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 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 -0.19 0.00 -3.56 9.48 2.88 -1.13 -4.83 113.62 116.27 1aic n SER 296 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1aic n SER 296 Cb 0.37 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.43 0.30 -3.46 2.20 -1.26 -4.20 114.94 108.10 1aic s ASN 297 Ca 0.00 -0.16 -0.04 0.00 -0.94 0.00 0.00 52.86 51.72 1aic s ASN 297 Cb 0.00 0.57 -0.05 0.00 -2.00 0.00 0.00 41.25 39.77 1aic s ASN 297 CO 0.00 -0.96 0.56 -2.16 -2.94 0.00 0.00 177.10 171.60 1aic s PRO 298 N -3.60 3.61 -0.12 3.55 0.04 -1.26 -5.03 135.00 132.19 1aic s PRO 298 Ca 0.05 -0.03 -0.38 0.00 0.04 0.00 0.00 61.00 60.69 1aic s PRO 298 Cb -0.02 -2.64 -0.15 0.00 0.04 0.00 0.00 34.50 31.73 1aic s PRO 298 CO -0.07 0.19 1.67 -0.35 0.04 0.00 0.00 177.00 178.49 1aic n PRO 299 N -1.07 1.46 0.09 0.56 -0.04 -1.26 -4.79 135.00 129.95 1aic n PRO 299 Ca -0.02 0.53 -0.02 0.00 -0.04 0.00 0.00 63.50 63.95 1aic n PRO 299 Cb 0.54 -2.25 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1aic n PRO 299 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aic h ALA 300 N 6.97 0.54 0.71 0.55 0.00 -1.95 -3.38 119.26 122.70 1aic h ALA 300 Ca -0.47 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.69 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 0.91 0.95 -0.34 1.25 0.00 0.00 0.00 179.25 182.02 1aic h HIS 301 N 0.00 -0.88 -0.96 0.00 -0.00 -1.92 0.12 115.15 111.51 1aic h HIS 301 Ca -0.03 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1aic h HIS 301 Cb 1.59 0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 29.23 1aic h HIS 301 CO 0.00 -0.55 0.63 0.78 -0.00 0.00 0.00 177.93 178.79 1aic h GLY 302 N -0.98 1.40 1.94 5.26 0.00 -1.79 0.17 103.07 109.06 1aic h GLY 302 Ca -0.10 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 1aic h GLY 302 CO 0.16 0.40 -0.61 0.00 0.00 0.00 0.00 176.54 176.49 1aic h ALA 303 N 1.44 0.95 -0.26 3.60 0.00 -1.70 -1.60 119.26 121.69 1aic h ALA 303 Ca 0.39 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1aic h ALA 303 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aic h ALA 303 CO -0.12 0.76 0.08 0.77 0.00 0.00 0.00 179.25 180.73 1aic h SER 304 N 0.05 0.39 -0.95 0.00 0.02 0.05 -1.46 113.55 111.65 1aic h SER 304 Ca -0.01 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1aic h SER 304 Cb 1.09 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 1aic h SER 304 CO 0.08 0.50 0.61 0.58 -1.14 0.00 0.00 176.83 177.46 1aic h VAL 305 N 0.26 1.11 -0.18 2.27 2.07 -0.39 -1.14 116.25 120.25 1aic h VAL 305 Ca 0.08 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1aic h VAL 305 Cb 0.26 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1aic h VAL 305 CO -0.00 0.21 -0.02 0.58 0.02 0.00 0.00 177.57 178.36 1aic h VAL 306 N 1.14 1.27 -0.31 2.57 2.07 -0.88 -2.46 116.25 119.65 1aic h VAL 306 Ca 0.40 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1aic h VAL 306 Cb 0.10 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1aic h VAL 306 CO -0.15 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 1aic h ALA 307 N 0.75 1.42 0.37 1.67 0.00 -1.21 -1.71 119.26 120.56 1aic h ALA 307 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1aic h ALA 307 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1aic h ALA 307 CO 0.01 0.41 -0.18 1.15 0.00 0.00 0.00 179.25 180.64 1aic h THR 308 N 0.45 0.56 -0.43 0.00 2.02 -0.76 -1.25 112.91 113.50 1aic h THR 308 Ca 0.10 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.79 1aic h THR 308 Cb 0.31 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1aic h THR 308 CO 0.01 0.09 0.09 0.40 0.37 0.00 0.00 175.52 176.48 1aic h ILE 309 N -0.85 0.78 0.00 3.11 2.04 -1.49 -2.06 117.51 119.04 1aic h ILE 309 Ca -0.05 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1aic h ILE 309 Cb 0.54 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1aic h ILE 309 CO 0.08 0.04 -0.42 -0.07 0.00 0.00 0.00 178.15 177.79 1aic h LEU 310 N 0.22 0.00 -0.66 1.44 3.38 -1.33 -2.59 115.31 115.77 1aic h LEU 310 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1aic h LEU 310 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1aic h LEU 310 CO -0.27 0.42 0.00 0.28 0.09 0.00 0.00 178.44 178.96 1aic h SER 311 N 0.00 0.00 -3.24 -0.43 0.02 -0.54 -3.45 113.55 105.91 1aic h SER 311 Ca -0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1aic h SER 311 Cb 0.92 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.12 1aic h SER 311 CO 0.05 0.00 -0.85 0.21 -1.14 0.00 0.00 176.83 175.11 1aic s ASN 312 N -5.35 2.68 0.41 3.07 3.84 -0.94 -5.02 114.94 113.63 1aic s ASN 312 Ca 0.05 -0.49 0.12 0.00 0.21 0.00 0.00 52.86 52.75 1aic s ASN 312 Cb 0.08 -1.21 0.95 0.00 -0.55 0.00 0.00 41.25 40.52 1aic s ASN 312 CO 0.56 0.04 1.95 0.44 -2.79 0.00 0.00 177.10 177.29 1aic h ASP 313 N 7.40 0.47 -0.08 -4.21 3.32 -1.88 -0.42 116.42 121.02 1aic h ASP 313 Ca -0.32 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.65 1aic h ASP 313 Cb 1.18 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1aic h ASP 313 CO 0.51 0.27 -0.32 0.00 -1.72 0.00 0.00 179.24 177.99 1aic h ALA 314 N 1.65 0.15 -0.05 3.45 0.00 -1.95 -2.79 119.26 119.72 1aic h ALA 314 Ca 0.33 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1aic h ALA 314 Cb 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1aic h ALA 314 CO -0.11 0.20 -0.91 -0.07 0.00 0.00 0.00 179.25 178.36 1aic h LEU 315 N -0.11 0.77 -1.96 0.00 3.38 -1.64 -2.61 115.31 113.15 1aic h LEU 315 Ca -0.02 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1aic h LEU 315 Cb 0.95 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1aic h LEU 315 CO 0.07 1.37 -0.10 -0.09 0.09 0.00 0.00 178.44 179.77 1aic h ARG 316 N 0.38 0.00 -0.11 1.13 2.43 -0.92 0.85 114.38 118.15 1aic h ARG 316 Ca -0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1aic h ARG 316 Cb 1.54 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.09 1aic h ARG 316 CO 0.17 0.10 -0.50 0.00 -1.51 0.00 0.00 179.97 178.23 1aic h ALA 317 N 1.90 0.20 -0.15 2.80 0.00 -1.18 -1.49 119.26 121.34 1aic h ALA 317 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1aic h ALA 317 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1aic h ALA 317 CO 0.01 0.38 -0.13 0.82 0.00 0.00 0.00 179.25 180.34 1aic h ILE 318 N 0.12 1.34 -0.14 0.00 2.04 -1.26 -2.73 117.51 116.88 1aic h ILE 318 Ca -0.03 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.61 1aic h ILE 318 Cb 1.14 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 1aic h ILE 318 CO 0.10 0.37 -0.08 -0.25 0.00 0.00 0.00 178.15 178.29 1aic h TRP 319 N -0.00 -0.20 -0.19 1.37 7.01 -0.79 0.06 115.95 123.21 1aic h TRP 319 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1aic h TRP 319 Cb 0.64 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1aic h TRP 319 CO 0.08 -0.13 0.11 0.93 -2.79 0.00 0.00 178.44 176.64 1aic h GLU 320 N -0.08 0.25 -0.16 2.65 5.08 -1.26 0.34 114.58 121.40 1aic h GLU 320 Ca 0.08 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1aic h GLU 320 Cb 0.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1aic h GLU 320 CO -0.19 0.18 -0.72 0.37 -1.00 0.00 0.00 179.01 177.66 1aic h GLN 321 N 0.26 0.69 -0.39 2.33 5.75 -1.04 -0.33 115.11 122.38 1aic h GLN 321 Ca 0.07 -0.53 -0.09 0.00 -0.15 0.00 0.00 58.65 57.94 1aic h GLN 321 Cb -0.00 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1aic h GLN 321 CO -0.01 1.15 -0.13 0.93 -2.65 0.00 0.00 178.83 178.11 1aic h GLU 322 N 0.48 0.70 -0.49 1.69 5.08 0.14 -1.86 114.58 120.32 1aic h GLU 322 Ca -0.03 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1aic h GLU 322 Cb 1.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1aic h GLU 322 CO 0.14 0.81 -0.16 1.25 -1.00 0.00 0.00 179.01 180.05 1aic h LEU 323 N 0.63 0.95 -1.20 1.33 5.85 -0.35 -2.80 115.31 119.73 1aic h LEU 323 Ca 0.11 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1aic h LEU 323 Cb 0.59 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1aic h LEU 323 CO 0.04 1.10 0.51 0.74 -0.34 0.00 0.00 178.44 180.49 1aic h THR 324 N 0.83 1.21 0.00 1.05 2.02 -0.34 -0.52 112.91 117.15 1aic h THR 324 Ca 0.12 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 1aic h THR 324 Cb 0.71 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1aic h THR 324 CO 0.05 0.21 -0.42 0.44 0.37 0.00 0.00 175.52 176.17 1aic h ASP 325 N 1.08 0.00 0.09 4.18 3.32 -1.23 -0.53 116.42 123.33 1aic h ASP 325 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1aic h ASP 325 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1aic h ASP 325 CO -0.06 0.42 -0.04 0.24 -1.72 0.00 0.00 179.24 178.08 1aic h MET 326 N 0.00 -0.12 -0.26 3.56 2.86 -1.13 -0.94 114.93 118.90 1aic h MET 326 Ca -0.00 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1aic h MET 326 Cb 1.20 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 1aic h MET 326 CO 0.05 0.34 -0.16 -0.09 1.06 0.00 0.00 176.91 178.11 1aic h ARG 327 N -0.63 -0.14 0.00 1.72 2.43 -1.02 -0.34 114.38 116.41 1aic h ARG 327 Ca -0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1aic h ARG 327 Cb 0.51 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1aic h ARG 327 CO 0.02 -0.09 -0.13 1.96 -1.51 0.00 0.00 179.97 180.22 1aic h GLN 328 N -0.14 0.00 -0.43 0.20 4.20 -1.12 -2.06 115.11 115.76 1aic h GLN 328 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 1aic h GLN 328 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1aic h GLN 328 CO -0.35 0.13 -0.20 -0.09 -0.67 0.00 0.00 178.83 177.66 1aic h ARG 329 N 0.00 0.89 0.05 1.46 2.43 0.38 -1.24 114.38 118.35 1aic h ARG 329 Ca -0.00 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1aic h ARG 329 Cb 0.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1aic h ARG 329 CO 0.02 1.03 -0.03 0.82 -1.51 0.00 0.00 179.97 180.31 1aic h ILE 330 N 0.71 1.06 -0.90 1.20 2.04 -0.97 -0.69 117.51 119.96 1aic h ILE 330 Ca 0.10 -0.36 0.13 0.00 1.00 0.00 0.00 64.86 65.73 1aic h ILE 330 Cb 0.76 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 38.05 1aic h ILE 330 CO 0.06 0.09 0.52 1.56 0.00 0.00 0.00 178.15 180.38 1aic h GLN 331 N -0.23 0.77 -0.43 2.37 4.20 -1.33 0.18 115.11 120.64 1aic h GLN 331 Ca -0.01 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1aic h GLN 331 Cb 0.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1aic h GLN 331 CO 0.01 0.51 0.03 0.00 -0.67 0.00 0.00 178.83 178.70 1aic h ARG 332 N 0.79 0.69 -0.11 1.46 3.08 -0.50 -2.63 114.38 117.16 1aic h ARG 332 Ca 0.46 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 60.16 1aic h ARG 332 Cb 0.54 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1aic h ARG 332 CO -0.30 0.69 -0.72 0.52 -1.07 0.00 0.00 179.97 179.09 1aic h MET 333 N 0.66 0.52 -0.42 0.04 2.86 0.49 0.12 114.93 119.20 1aic h MET 333 Ca 0.14 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1aic h MET 333 Cb 0.37 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1aic h MET 333 CO 0.01 1.04 0.26 0.00 1.06 0.00 0.00 176.91 179.29 1aic h ARG 334 N 0.36 0.57 0.04 1.72 3.08 -1.15 0.36 114.38 119.36 1aic h ARG 334 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1aic h ARG 334 Cb 1.31 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1aic h ARG 334 CO 0.13 0.41 -0.02 0.37 -1.07 0.00 0.00 179.97 179.79 1aic h GLN 335 N 0.56 -0.05 0.00 0.04 5.75 -1.40 -2.78 115.11 117.24 1aic h GLN 335 Ca 0.15 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1aic h GLN 335 Cb -0.02 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1aic h GLN 335 CO -0.03 0.38 -0.02 1.25 -2.65 0.00 0.00 178.83 177.77 1aic h LEU 336 N -0.50 0.00 -0.00 -2.39 5.85 -0.49 -2.13 115.31 115.65 1aic h LEU 336 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1aic h LEU 336 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1aic h LEU 336 CO 0.01 0.02 -0.14 0.15 -0.34 0.00 0.00 178.44 178.14 1aic h PHE 337 N 0.00 0.15 0.00 1.25 3.57 -0.17 -2.18 116.94 119.56 1aic h PHE 337 Ca -0.00 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 1aic h PHE 337 Cb 0.28 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1aic h PHE 337 CO 0.00 0.86 -0.36 -0.39 -2.23 0.00 0.00 178.31 176.19 1aic h VAL 338 N -0.60 0.72 -0.05 1.41 -1.51 -1.12 -1.79 116.25 113.31 1aic h VAL 338 Ca -0.02 -1.62 -0.02 0.00 -1.23 0.00 0.00 66.70 63.81 1aic h VAL 338 Cb 0.89 2.06 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1aic h VAL 338 CO 0.03 0.35 -0.05 0.78 -1.23 0.00 0.00 177.57 177.44 1aic h ASN 339 N 0.00 0.13 -0.10 4.19 2.35 -1.50 -1.89 115.58 118.76 1aic h ASN 339 Ca -0.00 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1aic h ASN 339 Cb 1.03 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1aic h ASN 339 CO 0.05 0.59 0.03 0.74 -1.65 0.00 0.00 177.43 177.19 1aic h THR 340 N -0.32 1.08 -0.17 2.81 2.02 -1.22 -1.41 112.91 115.71 1aic h THR 340 Ca 0.01 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1aic h THR 340 Cb 0.55 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1aic h THR 340 CO 0.01 0.10 0.03 0.25 0.37 0.00 0.00 175.52 176.28 1aic h LEU 341 N 0.21 0.28 0.30 2.58 5.85 -1.22 -0.13 115.31 123.17 1aic h LEU 341 Ca 0.05 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1aic h LEU 341 Cb 0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1aic h LEU 341 CO -0.00 0.47 -0.42 1.56 -0.34 0.00 0.00 178.44 179.71 1aic h GLN 342 N 0.08 -0.72 0.00 1.25 1.08 -0.64 -1.26 115.11 114.90 1aic h GLN 342 Ca 0.05 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1aic h GLN 342 Cb 0.31 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1aic h GLN 342 CO 0.00 -0.48 -0.07 1.05 -0.95 0.00 0.00 178.83 178.38 1aic h GLU 343 N -0.75 0.00 -0.00 1.46 4.11 -1.30 -0.10 114.58 117.99 1aic h GLU 343 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1aic h GLU 343 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1aic h GLU 343 CO -0.12 0.07 -0.06 1.17 0.07 0.00 0.00 179.01 180.14 1aic n LYS 344 N -3.18 0.87 0.00 1.06 0.00 -0.06 -4.94 118.16 111.91 1aic n LYS 344 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.06 1aic n LYS 344 Cb 0.37 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.91 1aic n LYS 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aic n GLY 345 N 1.20 1.77 3.75 3.14 0.00 -0.05 -5.01 105.19 110.00 1aic n GLY 345 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1aic n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aic s ALA 346 N -2.00 3.46 -1.71 4.61 0.00 -0.56 -4.93 121.76 120.63 1aic s ALA 346 Ca 0.00 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.21 1aic s ALA 346 Cb 0.00 -3.41 0.65 0.00 0.00 0.00 0.00 23.12 20.36 1aic s ALA 346 CO 0.00 -0.40 1.55 0.27 0.00 0.00 0.00 175.76 177.18 1aic n ASN 347 N 1.55 4.07 -4.37 0.00 2.04 -1.26 -4.83 115.26 112.46 1aic n ASN 347 Ca 0.01 -2.15 -0.19 0.00 -0.44 0.00 0.00 54.58 51.81 1aic n ASN 347 Cb 0.44 -0.51 -0.10 0.00 -2.53 0.00 0.00 39.78 37.08 1aic n ASN 347 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1aic s ARG 348 N -1.33 1.38 -0.33 -3.83 1.81 -1.26 -5.09 118.95 110.30 1aic s ARG 348 Ca 0.48 -1.64 -0.22 0.00 -1.72 0.00 0.00 55.73 52.64 1aic s ARG 348 Cb 0.27 -1.13 0.00 0.00 -0.45 0.00 0.00 34.95 33.64 1aic s ARG 348 CO 0.29 0.15 0.69 0.34 -0.68 0.00 0.00 175.30 176.10 1aic s ASP 349 N -3.35 6.52 -0.04 0.23 2.15 -1.26 -4.90 116.67 116.02 1aic s ASP 349 Ca 0.24 0.37 0.18 0.00 0.43 0.00 0.00 52.55 53.78 1aic s ASP 349 Cb 0.00 -2.36 0.58 0.00 -0.30 0.00 0.00 42.92 40.85 1aic s ASP 349 CO 0.08 -0.59 1.49 0.49 -0.17 0.00 0.00 175.17 176.47 1aic n PHE 350 N 6.11 0.99 -0.46 -5.34 3.01 -1.26 -4.60 117.46 115.90 1aic n PHE 350 Ca 0.01 -0.55 0.39 0.00 1.01 0.00 0.00 57.45 58.31 1aic n PHE 350 Cb 0.48 -0.08 0.67 0.00 -0.01 0.00 0.00 39.48 40.54 1aic n PHE 350 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1aic h SER 351 N 3.61 0.22 -0.09 4.37 0.02 -1.94 -0.03 113.55 119.70 1aic h SER 351 Ca 0.00 0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1aic h SER 351 Cb 1.07 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1aic h SER 351 CO 0.07 -0.25 0.13 2.19 -1.14 0.00 0.00 176.83 177.83 1aic h PHE 352 N 0.03 0.00 -0.42 3.45 -0.00 -1.96 -1.40 116.94 116.63 1aic h PHE 352 Ca 0.87 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.90 1aic h PHE 352 Cb 2.75 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 38.68 1aic h PHE 352 CO -0.01 0.00 0.28 0.82 -0.00 0.00 0.00 178.31 179.41 1aic h ILE 353 N 0.00 0.94 0.00 0.88 1.08 -1.37 -0.08 117.51 118.97 1aic h ILE 353 Ca 0.04 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1aic h ILE 353 Cb 0.30 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1aic h ILE 353 CO -0.00 0.05 0.00 -0.38 -0.69 0.00 0.00 178.15 177.13 1aic n ILE 354 N -4.47 0.57 0.97 -0.67 5.41 -0.53 -3.07 119.36 117.57 1aic n ILE 354 Ca 0.06 -0.07 0.10 0.00 1.00 0.00 0.00 62.75 63.84 1aic n ILE 354 Cb 0.28 -0.74 -0.04 0.00 -0.71 0.00 0.00 39.64 38.43 1aic n ILE 354 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1aic n LYS 355 N -2.05 0.93 -3.29 0.38 5.02 -0.05 -4.95 118.16 114.16 1aic n LYS 355 Ca 0.05 -0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 55.45 1aic n LYS 355 Cb 0.34 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1aic n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1aic s GLN 356 N -2.58 3.21 -0.02 1.97 -0.21 -1.17 -4.91 119.66 115.94 1aic s GLN 356 Ca 0.15 -0.61 0.06 0.00 0.02 0.00 0.00 55.36 54.98 1aic s GLN 356 Cb 0.17 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 31.48 1aic s GLN 356 CO 0.65 -0.03 -0.21 -0.80 -2.12 0.00 0.00 175.29 172.78 1aic s ASN 357 N -4.14 3.50 0.00 5.90 0.02 0.10 -5.00 114.94 115.32 1aic s ASN 357 Ca 0.44 -0.36 0.00 0.00 -1.02 0.00 0.00 52.86 51.92 1aic s ASN 357 Cb -0.10 -0.56 0.00 0.00 0.02 0.00 0.00 41.25 40.61 1aic s ASN 357 CO 0.35 0.32 0.00 0.61 0.02 0.00 0.00 177.10 178.40 1aic n GLY 358 N 2.29 -1.08 0.14 0.66 0.00 -1.20 -4.49 105.19 101.51 1aic n GLY 358 Ca -0.17 -1.44 0.03 0.00 0.00 0.00 0.00 46.02 44.44 1aic n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aic h MET 359 N 0.00 0.00 -5.89 1.61 2.86 -1.92 -3.46 114.93 108.12 1aic h MET 359 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 1aic h MET 359 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1aic h MET 359 CO 0.00 0.39 -0.53 -0.06 1.06 0.00 0.00 176.91 177.77 1aic s PHE 360 N -3.00 3.44 -0.03 -0.22 0.08 -1.26 0.13 117.98 117.12 1aic s PHE 360 Ca 0.03 0.29 -0.25 0.00 0.12 0.00 0.00 56.93 57.12 1aic s PHE 360 Cb 0.08 -1.79 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 1aic s PHE 360 CO 0.75 0.61 0.55 -1.12 -0.10 0.00 0.00 175.22 175.91 1aic s SER 361 N -1.85 -0.50 -0.24 1.36 0.01 -1.00 -3.79 113.70 107.70 1aic s SER 361 Ca 0.25 0.47 -0.28 0.00 1.31 0.00 0.00 55.95 57.70 1aic s SER 361 Cb -0.12 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.58 1aic s SER 361 CO 0.17 -0.58 0.99 -0.36 0.41 0.00 0.00 173.24 173.87 1aic s PHE 362 N -1.40 3.33 0.06 2.43 0.08 -1.25 -0.94 117.98 120.29 1aic s PHE 362 Ca -0.11 1.38 0.31 0.00 0.12 0.00 0.00 56.93 58.63 1aic s PHE 362 Cb -0.02 -3.22 1.55 0.00 -0.57 0.00 0.00 43.02 40.75 1aic s PHE 362 CO 0.07 -0.47 1.95 0.66 -0.10 0.00 0.00 175.22 177.33 1aic h SER 363 N 7.52 0.00 -0.80 1.36 4.64 -1.14 -3.46 113.55 121.66 1aic h SER 363 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1aic h SER 363 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1aic h SER 363 CO 0.95 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1aic n GLY 364 N -0.70 0.86 3.67 -0.77 0.00 -1.26 -5.06 105.19 101.93 1aic n GLY 364 Ca -0.01 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1aic n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aic s LEU 365 N -0.80 3.35 0.52 0.99 1.02 -1.26 -5.11 118.68 117.38 1aic s LEU 365 Ca 0.00 -0.33 -0.10 0.00 0.02 0.00 0.00 54.13 53.72 1aic s LEU 365 Cb 0.00 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.13 1aic s LEU 365 CO 0.00 0.11 0.90 0.42 0.02 0.00 0.00 176.35 177.81 1aic s THR 366 N -1.59 4.75 0.29 5.49 -4.23 -1.26 -4.63 115.64 114.47 1aic s THR 366 Ca 0.27 0.70 0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1aic s THR 366 Cb -0.10 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.24 1aic s THR 366 CO 0.18 -0.86 1.65 0.50 -0.54 0.00 0.00 174.62 175.55 1aic h LYS 367 N 0.37 0.21 0.00 3.99 3.64 -1.95 0.13 116.57 122.95 1aic h LYS 367 Ca -0.46 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1aic h LYS 367 Cb 1.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1aic h LYS 367 CO 0.62 0.14 -0.59 0.93 -2.27 0.00 0.00 179.45 178.28 1aic h GLU 368 N 0.21 0.00 -0.25 1.90 3.07 -1.92 -1.06 114.58 116.53 1aic h GLU 368 Ca 0.57 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.30 1aic h GLU 368 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1aic h GLU 368 CO -0.66 0.59 -0.38 1.96 -1.40 0.00 0.00 179.01 179.12 1aic h GLN 369 N 0.00 0.71 -0.08 2.33 4.20 -1.21 -1.42 115.11 119.64 1aic h GLN 369 Ca -0.01 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.14 1aic h GLN 369 Cb 1.27 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1aic h GLN 369 CO 0.08 1.04 -0.60 -0.39 -0.67 0.00 0.00 178.83 178.28 1aic h VAL 370 N 0.43 1.38 0.02 -0.54 -1.51 -0.52 -1.05 116.25 114.47 1aic h VAL 370 Ca 0.02 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.52 1aic h VAL 370 Cb 0.97 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1aic h VAL 370 CO 0.09 0.58 -0.01 0.25 -1.23 0.00 0.00 177.57 177.25 1aic h LEU 371 N 0.20 -0.02 -1.21 4.19 6.46 -1.23 -1.95 115.31 121.76 1aic h LEU 371 Ca -0.01 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1aic h LEU 371 Cb 1.11 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1aic h LEU 371 CO 0.10 0.32 0.50 -0.09 -0.62 0.00 0.00 178.44 178.64 1aic h ARG 372 N -0.37 1.03 -0.75 1.25 2.43 -1.15 -1.10 114.38 115.72 1aic h ARG 372 Ca -0.00 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1aic h ARG 372 Cb 0.35 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1aic h ARG 372 CO 0.00 0.70 0.45 1.25 -1.51 0.00 0.00 179.97 180.87 1aic h LEU 373 N 1.06 0.72 -0.07 3.80 5.85 -1.06 0.30 115.31 125.91 1aic h LEU 373 Ca 0.28 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 1aic h LEU 373 Cb -0.10 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.81 1aic h LEU 373 CO -0.06 0.47 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.96 1aic h ARG 374 N 0.85 0.44 0.00 1.25 2.43 -0.60 -2.38 114.38 116.37 1aic h ARG 374 Ca 0.32 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1aic h ARG 374 Cb 0.12 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1aic h ARG 374 CO -0.15 1.02 -0.22 0.93 -1.51 0.00 0.00 179.97 180.03 1aic h GLU 375 N -0.02 0.00 0.00 0.20 4.39 -1.14 -3.13 114.58 114.88 1aic h GLU 375 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1aic h GLU 375 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1aic h GLU 375 CO 0.09 0.56 0.00 0.39 -1.16 0.00 0.00 179.01 178.89 1aic n GLU 376 N -4.64 0.22 0.00 2.33 4.71 0.10 -4.61 120.64 118.75 1aic n GLU 376 Ca -0.09 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1aic n GLU 376 Cb 0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1aic n GLU 376 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1aic n PHE 377 N -1.31 0.00 0.00 -0.32 3.01 -0.92 -5.00 117.46 112.92 1aic n PHE 377 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1aic n PHE 377 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1aic n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aic n GLY 378 N 1.88 3.07 3.66 1.37 0.00 -1.08 -4.79 105.19 109.30 1aic n GLY 378 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.56 5.05 -0.18 1.61 1.01 -1.06 -1.68 120.40 124.60 1aic s VAL 379 Ca 0.00 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1aic s VAL 379 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1aic s VAL 379 CO 0.00 0.12 0.13 -0.31 0.00 0.00 0.00 175.10 175.05 1aic s TYR 380 N 1.89 3.46 0.13 5.22 1.51 0.13 -2.48 117.35 127.22 1aic s TYR 380 Ca 0.27 0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 56.63 1aic s TYR 380 Cb -0.16 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1aic s TYR 380 CO 0.10 0.42 0.25 0.00 -1.11 0.00 0.00 175.55 175.20 1aic s ALA 381 N -0.04 -0.09 0.35 3.71 0.00 -1.26 -0.59 121.76 123.84 1aic s ALA 381 Ca 0.10 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 1aic s ALA 381 Cb -0.11 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 1aic s ALA 381 CO -0.00 -0.59 1.15 0.08 0.00 0.00 0.00 175.76 176.39 1aic s VAL 382 N -3.92 3.28 0.66 0.00 1.01 -1.16 -4.87 120.40 115.39 1aic s VAL 382 Ca 0.12 1.16 0.40 0.00 0.00 0.00 0.00 61.98 63.67 1aic s VAL 382 Cb 0.04 -3.69 0.41 0.00 0.00 0.00 0.00 36.38 33.14 1aic s VAL 382 CO -0.04 0.18 2.26 0.00 0.00 0.00 0.00 175.10 177.50 1aic h ALA 383 N 3.12 1.14 0.00 5.51 0.00 -1.91 0.30 119.26 127.42 1aic h ALA 383 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1aic h ALA 383 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aic h ALA 383 CO 0.64 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1aic n SER 384 N -3.12 0.00 0.00 0.00 3.41 -1.26 -4.35 113.62 108.30 1aic n SER 384 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1aic n SER 384 Cb 0.15 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.17 0.76 3.75 5.00 0.00 0.11 -4.82 105.19 109.82 1aic n GLY 385 Ca 0.07 0.00 -0.41 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 -0.18 4.31 -0.01 1.61 3.52 -1.24 -0.53 118.95 126.43 1aic s ARG 386 Ca 0.00 2.25 0.02 0.00 -0.13 0.00 0.00 55.73 57.86 1aic s ARG 386 Cb 0.00 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1aic s ARG 386 CO 0.00 -0.32 -0.06 0.54 -0.81 0.00 0.00 175.30 174.66 1aic s VAL 387 N -0.44 0.45 -0.47 7.11 0.11 -0.11 -2.99 120.40 124.06 1aic s VAL 387 Ca 0.55 -0.23 -0.20 0.00 -2.93 0.00 0.00 61.98 59.17 1aic s VAL 387 Cb -0.40 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1aic s VAL 387 CO 0.47 0.13 0.63 0.21 -3.33 0.00 0.00 175.10 173.21 1aic s ASN 388 N -0.06 6.26 0.49 3.54 3.84 0.23 -2.37 114.94 126.88 1aic s ASN 388 Ca 0.01 -0.65 0.17 0.00 0.21 0.00 0.00 52.86 52.60 1aic s ASN 388 Cb -0.03 -2.30 1.20 0.00 -0.55 0.00 0.00 41.25 39.57 1aic s ASN 388 CO -0.00 -0.83 2.05 0.58 -2.79 0.00 0.00 177.10 176.10 1aic h VAL 389 N 5.86 0.91 0.00 -5.21 2.07 0.71 -1.99 116.25 118.60 1aic h VAL 389 Ca -0.27 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1aic h VAL 389 Cb 1.10 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1aic h VAL 389 CO 0.93 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.55 1aic n ALA 390 N -2.56 2.05 0.94 1.67 0.00 -1.26 -1.75 120.51 119.61 1aic n ALA 390 Ca 0.05 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1aic n ALA 390 Cb 0.31 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.01 0.77 3.90 0.00 0.00 -0.75 -3.75 105.19 105.35 1aic n GLY 391 Ca 0.11 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.73 3.50 0.09 1.61 -1.94 -0.72 -4.84 119.30 115.27 1aic s MET 392 Ca 0.34 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.09 1aic s MET 392 Cb 0.20 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1aic s MET 392 CO 0.29 0.64 -0.06 0.95 -0.01 0.00 0.00 175.02 176.82 1aic s THR 393 N -1.38 0.61 0.47 2.05 -4.23 -1.26 -4.89 115.64 107.02 1aic s THR 393 Ca 0.30 -1.90 0.13 0.00 -1.18 0.00 0.00 61.69 59.04 1aic s THR 393 Cb -0.13 -1.64 0.28 0.00 1.34 0.00 0.00 72.50 72.36 1aic s THR 393 CO 0.20 -0.89 2.09 -0.65 -0.54 0.00 0.00 174.62 174.83 1aic h PRO 394 N 3.02 0.25 -0.13 3.99 0.11 -2.00 -0.73 132.00 136.52 1aic h PRO 394 Ca -0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1aic h PRO 394 Cb 1.16 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1aic h PRO 394 CO 0.65 0.16 0.03 -0.44 -0.21 0.00 0.00 178.00 178.19 1aic h ASP 395 N 0.25 0.20 -0.01 -2.05 5.19 -1.95 -3.11 116.42 114.94 1aic h ASP 395 Ca 0.11 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1aic h ASP 395 Cb 0.11 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1aic h ASP 395 CO -0.02 0.39 -0.01 -0.46 -3.12 0.00 0.00 179.24 176.02 1aic n ASN 396 N -4.84 1.55 -0.12 6.45 0.23 -0.86 -4.30 115.26 113.37 1aic n ASN 396 Ca -0.05 -1.51 -0.07 0.00 -0.53 0.00 0.00 54.58 52.42 1aic n ASN 396 Cb 0.16 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.87 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 2.43 0.48 -0.19 -3.83 4.05 -1.08 -2.65 114.93 114.15 1aic h MET 397 Ca 0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1aic h MET 397 Cb 0.52 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1aic h MET 397 CO 0.00 0.32 -0.14 0.00 0.23 0.00 0.00 176.91 177.32 1aic h ALA 398 N 1.17 0.27 -0.11 0.39 0.00 -1.77 -1.32 119.26 117.89 1aic h ALA 398 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1aic h ALA 398 Cb -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1aic h ALA 398 CO -0.06 0.15 0.09 -1.00 0.00 0.00 0.00 179.25 178.42 1aic h PRO 399 N 0.10 0.00 0.05 0.00 0.13 -1.84 0.17 132.00 130.61 1aic h PRO 399 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1aic h PRO 399 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1aic h PRO 399 CO 0.04 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 179.03 1aic h LEU 400 N 0.00 -0.06 -1.50 1.56 6.46 -1.23 -2.58 115.31 117.96 1aic h LEU 400 Ca 0.05 -0.60 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 1aic h LEU 400 Cb 0.22 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1aic h LEU 400 CO -0.00 0.64 0.12 0.00 -0.62 0.00 0.00 178.44 178.58 1aic h GLU 402 N 0.46 -0.76 -0.67 0.00 4.57 -0.63 -1.49 114.58 116.06 1aic h GLU 402 Ca 0.11 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1aic h GLU 402 Cb 0.10 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1aic h GLU 402 CO -0.01 -0.51 0.44 0.00 -1.18 0.00 0.00 179.01 177.75 1aic h ALA 403 N -0.70 0.86 -0.71 2.92 0.00 -1.11 -1.33 119.26 119.19 1aic h ALA 403 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1aic h ALA 403 Cb 0.75 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1aic h ALA 403 CO -0.21 0.29 0.41 0.82 0.00 0.00 0.00 179.25 180.56 1aic h ILE 404 N 0.91 1.21 -0.78 0.00 2.04 -1.15 -2.25 117.51 117.49 1aic h ILE 404 Ca 0.25 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1aic h ILE 404 Cb -0.09 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 1aic h ILE 404 CO -0.05 0.23 0.35 0.58 0.00 0.00 0.00 178.15 179.25 1aic h VAL 405 N 0.98 1.25 0.00 1.67 2.07 -1.03 -2.50 116.25 118.69 1aic h VAL 405 Ca 0.25 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1aic h VAL 405 Cb 0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1aic h VAL 405 CO -0.04 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1aic n ALA 407 N -2.43 1.81 -0.25 1.67 0.00 -0.52 -2.98 120.51 117.81 1aic n ALA 407 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1aic n ALA 407 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.10 0.00 1.10 0.00 0.24 -0.95 -5.06 118.33 112.56 1aic n VAL 408 Ca 0.07 -0.34 0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1aic n VAL 408 Cb 0.05 1.25 0.52 0.00 -1.47 0.00 0.00 33.84 34.20 1aic n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87