#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cag s LYS 5 N 0.00 4.18 -0.19 1.97 1.02 -1.26 -5.03 119.74 120.43 2cag s LYS 5 Ca 0.00 0.57 -0.26 0.00 0.02 0.00 0.00 55.97 56.30 2cag s LYS 5 Cb 0.00 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2cag s LYS 5 CO 0.00 0.48 0.87 -1.17 -0.92 0.00 0.00 175.35 174.61 2cag s LEU 6 N -0.47 4.14 0.33 3.17 2.96 -1.26 -5.02 118.68 122.54 2cag s LEU 6 Ca 0.27 1.19 0.09 0.00 -0.22 0.00 0.00 54.13 55.46 2cag s LEU 6 Cb -0.17 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2cag s LEU 6 CO 0.15 -0.47 0.01 0.42 -1.32 0.00 0.00 176.35 175.13 2cag s THR 7 N 2.48 2.68 0.70 3.68 -4.23 -1.26 -0.59 115.64 119.10 2cag s THR 7 Ca 0.39 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2cag s THR 7 Cb -0.16 -2.79 0.16 0.00 1.34 0.00 0.00 72.50 71.05 2cag s THR 7 CO 0.10 -0.22 0.86 0.35 -0.54 0.00 0.00 174.62 175.18 2cag n THR 8 N -0.95 0.00 0.37 3.99 -2.24 0.18 -4.76 114.28 110.87 2cag n THR 8 Ca -0.04 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.25 2cag n THR 8 Cb 0.62 -1.55 0.39 0.00 -2.10 0.00 0.00 70.33 67.69 2cag n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cag n ALA 9 N -3.74 1.52 -0.38 6.98 0.00 -1.26 -2.69 120.51 120.93 2cag n ALA 9 Ca -0.14 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2cag n ALA 9 Cb 0.39 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.70 2cag n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cag n ALA 10 N -1.65 2.32 0.00 0.00 0.00 -1.26 -4.98 120.51 114.94 2cag n ALA 10 Ca 0.02 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2cag n ALA 10 Cb 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2cag n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cag n GLY 11 N -0.09 2.55 3.76 0.00 0.00 -1.10 -5.08 105.19 105.23 2cag n GLY 11 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2cag n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cag s ALA 12 N -2.39 3.38 0.29 4.61 0.00 -1.26 -4.62 121.76 121.76 2cag s ALA 12 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 2cag s ALA 12 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 2cag s ALA 12 CO 0.00 -0.08 1.49 -0.35 0.00 0.00 0.00 175.76 176.82 2cag n PRO 13 N 1.18 2.43 -3.47 0.00 -0.04 -1.26 0.49 135.00 134.33 2cag n PRO 13 Ca -0.01 0.86 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 2cag n PRO 13 Cb 0.45 -2.58 -0.08 0.00 -0.04 0.00 0.00 33.50 31.26 2cag n PRO 13 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cag s VAL 14 N -0.28 5.25 -0.11 0.52 -7.23 0.24 -4.75 120.40 114.05 2cag s VAL 14 Ca 0.63 0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 61.11 2cag s VAL 14 Cb -0.55 -3.67 -0.24 0.00 0.56 0.00 0.00 36.38 32.49 2cag s VAL 14 CO 0.52 0.31 0.88 1.62 -0.31 0.00 0.00 175.10 178.12 2cag h VAL 15 N 4.93 1.62 -3.18 1.32 3.04 -1.92 -3.45 116.25 118.60 2cag h VAL 15 Ca -0.38 -1.96 -0.48 0.00 -1.01 0.00 0.00 66.70 62.87 2cag h VAL 15 Cb 1.16 2.93 -0.40 0.00 -2.01 0.00 0.00 31.29 32.97 2cag h VAL 15 CO 0.72 0.50 -0.76 -0.62 -1.01 0.00 0.00 177.57 176.40 2cag s ASP 16 N -6.04 2.47 -0.09 3.17 2.15 -1.26 -4.97 116.67 112.09 2cag s ASP 16 Ca -0.18 -0.63 0.12 0.00 0.43 0.00 0.00 52.55 52.30 2cag s ASP 16 Cb -0.02 -0.41 0.51 0.00 -0.30 0.00 0.00 42.92 42.70 2cag s ASP 16 CO 0.66 -0.31 1.36 -3.20 -0.17 0.00 0.00 175.17 173.50 2cag n ASN 17 N 5.17 3.55 0.00 -0.34 5.15 -1.26 -4.37 115.26 123.16 2cag n ASN 17 Ca -0.08 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.54 2cag n ASN 17 Cb 0.48 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2cag n ASN 17 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2cag n ASN 18 N 0.66 0.04 -4.04 1.20 4.13 -1.26 -5.03 115.26 110.94 2cag n ASN 18 Ca 0.18 -0.19 -0.23 0.00 1.68 0.00 0.00 54.58 56.02 2cag n ASN 18 Cb 0.69 0.38 -0.16 0.00 -1.54 0.00 0.00 39.78 39.15 2cag n ASN 18 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2cag s ASN 19 N -0.39 1.61 0.85 6.41 0.01 -1.26 -5.16 114.94 117.01 2cag s ASN 19 Ca 0.00 -0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 2cag s ASN 19 Cb 0.00 -0.51 0.10 0.00 0.41 0.00 0.00 41.25 41.26 2cag s ASN 19 CO 0.00 0.08 1.17 0.68 -1.51 0.00 0.00 177.10 177.53 2cag s VAL 20 N 0.25 2.00 -0.22 1.60 -7.23 -1.26 -4.91 120.40 110.63 2cag s VAL 20 Ca -0.06 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.87 2cag s VAL 20 Cb -0.11 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 2cag s VAL 20 CO 0.02 0.00 0.82 -0.63 -0.31 0.00 0.00 175.10 175.00 2cag s ILE 21 N -3.50 4.86 0.04 -0.62 1.01 -1.26 -5.04 121.20 116.69 2cag s ILE 21 Ca 0.63 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.90 2cag s ILE 21 Cb -0.12 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2cag s ILE 21 CO 0.50 -0.03 -0.14 0.28 0.00 0.00 0.00 174.94 175.54 2cag s THR 22 N 2.59 1.14 -0.78 2.92 -1.32 -1.26 -2.15 115.64 116.78 2cag s THR 22 Ca 0.36 -1.02 -0.23 0.00 -1.21 0.00 0.00 61.69 59.59 2cag s THR 22 Cb -0.16 -1.03 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 2cag s THR 22 CO 0.09 0.01 1.13 0.00 -2.21 0.00 0.00 174.62 173.64 2cag s ALA 23 N -0.86 3.04 0.04 11.08 0.00 -0.28 -4.71 121.76 130.06 2cag s ALA 23 Ca 0.02 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2cag s ALA 23 Cb -0.08 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2cag s ALA 23 CO 0.01 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.14 2cag n GLY 24 N 5.60 -2.75 0.28 0.00 0.00 -1.26 -3.31 105.19 103.74 2cag n GLY 24 Ca 0.09 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.88 2cag n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cag h PRO 25 N -0.06 0.00 -0.21 1.61 0.13 -1.99 -1.34 132.00 130.14 2cag h PRO 25 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 2cag h PRO 25 Cb 0.09 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.83 2cag h PRO 25 CO 0.00 0.00 -1.04 -2.13 -0.23 0.00 0.00 178.00 174.60 2cag n ARG 26 N -2.68 0.90 -4.28 0.86 0.63 -1.26 -5.09 116.66 105.74 2cag n ARG 26 Ca -0.02 -2.70 -0.27 0.00 -0.92 0.00 0.00 57.85 53.94 2cag n ARG 26 Cb 0.27 -0.78 -0.07 0.00 0.45 0.00 0.00 32.46 32.33 2cag n ARG 26 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2cag s GLY 27 N -2.85 2.47 0.78 5.14 0.00 -0.51 -5.06 107.32 107.30 2cag s GLY 27 Ca 0.29 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 2cag s GLY 27 CO -0.10 -1.99 0.23 -1.55 0.00 0.00 0.00 173.10 169.69 2cag n PRO 28 N -1.26 0.11 -2.84 2.90 -0.04 -1.26 -4.30 135.00 128.31 2cag n PRO 28 Ca -0.04 0.07 -0.38 0.00 -0.04 0.00 0.00 63.50 63.11 2cag n PRO 28 Cb 0.65 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2cag n PRO 28 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2cag s MET 29 N -2.61 4.61 0.09 0.54 -1.94 -1.26 -1.13 119.30 117.60 2cag s MET 29 Ca 0.59 1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 55.72 2cag s MET 29 Cb -0.31 -2.99 -0.06 0.00 2.01 0.00 0.00 34.83 33.48 2cag s MET 29 CO 0.65 0.39 0.49 -0.51 -0.01 0.00 0.00 175.02 176.03 2cag s LEU 30 N -1.72 4.39 0.58 -0.03 1.02 -0.91 -4.93 118.68 117.08 2cag s LEU 30 Ca 0.45 1.02 0.34 0.00 0.02 0.00 0.00 54.13 55.96 2cag s LEU 30 Cb -0.21 -3.03 1.77 0.00 0.02 0.00 0.00 46.19 44.74 2cag s LEU 30 CO 0.26 0.18 2.16 0.25 0.02 0.00 0.00 176.35 179.22 2cag h LEU 31 N 3.93 0.00 -0.59 1.79 6.46 -1.97 -2.73 115.31 122.20 2cag h LEU 31 Ca -0.49 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 2cag h LEU 31 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2cag h LEU 31 CO 0.65 0.05 0.00 0.00 -0.62 0.00 0.00 178.44 178.52 2cag n GLN 32 N -3.37 1.38 -2.43 1.25 10.64 -1.26 -4.48 117.38 119.10 2cag n GLN 32 Ca -0.02 -0.58 -0.38 0.00 -1.83 0.00 0.00 57.00 54.19 2cag n GLN 32 Cb 0.19 -1.18 -0.03 0.00 -0.86 0.00 0.00 30.24 28.37 2cag n GLN 32 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2cag s ASP 33 N -1.13 6.25 0.47 2.61 -1.08 -1.03 -4.79 116.67 117.97 2cag s ASP 33 Ca 0.15 -1.76 0.26 0.00 -0.52 0.00 0.00 52.55 50.68 2cag s ASP 33 Cb 0.08 -2.58 1.08 0.00 -1.46 0.00 0.00 42.92 40.04 2cag s ASP 33 CO 0.11 -1.76 1.89 -0.37 0.52 0.00 0.00 175.17 175.57 2cag h VAL 34 N 6.30 0.50 -0.25 1.11 -1.51 -1.91 -2.34 116.25 118.15 2cag h VAL 34 Ca 0.28 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 2cag h VAL 34 Cb 0.95 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2cag h VAL 34 CO 1.38 0.18 0.08 -0.25 -1.23 0.00 0.00 177.57 177.73 2cag h TRP 35 N 0.00 0.41 -0.33 5.19 -0.00 -1.98 -1.63 115.95 117.61 2cag h TRP 35 Ca -0.00 -0.04 0.07 0.00 -0.00 0.00 0.00 58.89 58.92 2cag h TRP 35 Cb 0.64 -0.12 -0.08 0.00 -0.00 0.00 0.00 29.16 29.60 2cag h TRP 35 CO 0.00 0.46 -0.21 0.35 -0.00 0.00 0.00 178.44 179.04 2cag h PHE 36 N 0.24 -0.54 0.01 2.65 3.57 -1.83 0.50 116.94 121.54 2cag h PHE 36 Ca 0.08 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2cag h PHE 36 Cb 0.24 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2cag h PHE 36 CO 0.00 -0.29 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.65 2cag h LEU 37 N -0.17 -0.23 -0.42 0.59 4.07 -1.53 -0.72 115.31 116.90 2cag h LEU 37 Ca 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 2cag h LEU 37 Cb 0.43 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2cag h LEU 37 CO -0.43 -0.12 0.20 -0.08 -1.08 0.00 0.00 178.44 176.93 2cag h GLU 38 N -0.14 0.60 -0.34 1.13 4.81 -0.26 -1.07 114.58 119.31 2cag h GLU 38 Ca 0.03 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2cag h GLU 38 Cb 0.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2cag h GLU 38 CO -0.08 0.52 0.17 -0.22 -0.73 0.00 0.00 179.01 178.67 2cag h LYS 39 N 0.53 0.48 0.00 1.92 3.64 0.18 -2.33 116.57 121.00 2cag h LYS 39 Ca 0.14 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 2cag h LYS 39 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2cag h LYS 39 CO -0.02 0.42 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.87 2cag h LEU 40 N 0.41 0.00 -0.70 5.20 4.07 -1.12 -0.63 115.31 122.55 2cag h LEU 40 Ca 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 2cag h LEU 40 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2cag h LEU 40 CO -0.02 0.64 -0.35 0.00 -1.08 0.00 0.00 178.44 177.63 2cag h ALA 41 N 1.36 0.87 0.02 1.53 0.00 -1.06 0.34 119.26 122.32 2cag h ALA 41 Ca -0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 2cag h ALA 41 Cb 1.46 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2cag h ALA 41 CO 0.08 0.63 -0.68 0.45 0.00 0.00 0.00 179.25 179.73 2cag h HIS 42 N 0.51 0.65 -0.41 0.00 3.86 -1.31 -3.20 115.15 115.25 2cag h HIS 42 Ca 0.05 -0.37 0.03 0.00 -1.16 0.00 0.00 60.37 58.93 2cag h HIS 42 Cb 0.85 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 2cag h HIS 42 CO 0.04 1.20 0.19 0.35 0.86 0.00 0.00 177.93 180.57 2cag h PHE 43 N -0.09 0.35 0.00 2.45 3.57 -0.89 0.15 116.94 122.49 2cag h PHE 43 Ca -0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2cag h PHE 43 Cb 1.40 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2cag h PHE 43 CO 0.15 0.18 0.21 -0.25 -2.23 0.00 0.00 178.31 176.37 2cag n ASP 44 N -4.94 0.30 -0.36 0.41 8.00 0.12 -1.94 116.55 118.14 2cag n ASP 44 Ca 0.02 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.14 2cag n ASP 44 Cb 0.11 -0.52 0.18 0.00 -0.02 0.00 0.00 41.12 40.87 2cag n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2cag n ARG 45 N -1.92 1.68 0.13 -1.24 1.74 0.03 -4.79 116.66 112.30 2cag n ARG 45 Ca -0.01 -2.76 0.12 0.00 -0.77 0.00 0.00 57.85 54.44 2cag n ARG 45 Cb 0.23 -1.60 0.49 0.00 -1.02 0.00 0.00 32.46 30.56 2cag n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2cag n GLU 46 N -1.20 0.21 -4.55 5.56 1.02 -0.82 -4.82 120.64 116.05 2cag n GLU 46 Ca 0.18 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 2cag n GLU 46 Cb 0.72 -1.89 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 2cag n GLU 46 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2cag s VAL 47 N -3.32 3.52 0.30 2.62 -7.23 -1.26 -5.11 120.40 109.92 2cag s VAL 47 Ca 0.05 -0.76 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2cag s VAL 47 Cb 0.09 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2cag s VAL 47 CO 0.41 0.44 0.15 0.27 -0.31 0.00 0.00 175.10 176.07 2cag s ILE 48 N -0.93 3.56 0.38 -0.62 -4.36 -1.26 -5.11 121.20 112.86 2cag s ILE 48 Ca 0.15 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 58.68 2cag s ILE 48 Cb -0.11 -3.09 -0.12 0.00 1.25 0.00 0.00 42.46 40.40 2cag s ILE 48 CO 0.06 -0.26 1.04 -2.65 0.24 0.00 0.00 174.94 173.36 2cag n PRO 49 N -1.14 1.44 -2.12 0.37 -0.02 -1.26 -5.00 135.00 127.28 2cag n PRO 49 Ca -0.05 0.51 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 2cag n PRO 49 Cb 0.60 -2.03 0.10 0.00 -0.02 0.00 0.00 33.50 32.15 2cag n PRO 49 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2cag s GLU 50 N -1.90 1.74 0.29 -0.52 -1.05 -1.26 -4.98 118.70 111.03 2cag s GLU 50 Ca 0.61 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.83 2cag s GLU 50 Cb -0.59 -2.07 -0.10 0.00 -0.44 0.00 0.00 34.13 30.93 2cag s GLU 50 CO 0.58 -1.60 1.45 1.03 0.95 0.00 0.00 175.26 177.67 2cag s ARG 51 N -5.45 4.23 0.00 -4.83 0.52 -1.26 -5.04 118.95 107.12 2cag s ARG 51 Ca 0.64 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 58.24 2cag s ARG 51 Cb -0.09 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.33 2cag s ARG 51 CO 0.47 -0.44 0.12 -2.13 0.02 0.00 0.00 175.30 173.35 2cag n ARG 52 N 1.70 0.05 -3.37 3.54 0.00 -1.26 -4.39 116.66 112.92 2cag n ARG 52 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.75 2cag n ARG 52 Cb 0.40 -1.07 -0.04 0.00 0.00 0.00 0.00 32.46 31.75 2cag n ARG 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2cag n HIS 54 N -0.57 -0.59 0.17 -0.14 8.25 -0.26 -5.09 115.22 117.00 2cag n HIS 54 Ca 0.00 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.84 2cag n HIS 54 Cb 0.00 -1.30 0.10 0.00 1.12 0.00 0.00 29.99 29.91 2cag n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cag h ALA 55 N 1.49 0.82 -3.20 -1.41 0.00 -1.73 -3.43 119.26 111.80 2cag h ALA 55 Ca -0.31 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 53.92 2cag h ALA 55 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 2cag h ALA 55 CO 0.33 0.10 -0.46 0.21 0.00 0.00 0.00 179.25 179.42 2cag s LYS 56 N -3.22 4.18 0.24 0.00 2.47 -1.24 -4.40 119.74 117.77 2cag s LYS 56 Ca 0.04 -0.16 -0.21 0.00 -1.56 0.00 0.00 55.97 54.08 2cag s LYS 56 Cb 0.07 -3.44 0.06 0.00 -1.46 0.00 0.00 37.83 33.06 2cag s LYS 56 CO 0.72 0.24 0.94 0.20 0.16 0.00 0.00 175.35 177.61 2cag s GLY 57 N 0.51 0.09 0.15 5.54 0.00 -1.26 -1.50 107.32 110.85 2cag s GLY 57 Ca 0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 44.72 44.42 2cag s GLY 57 CO 0.00 1.05 0.18 -0.56 0.00 0.00 0.00 173.10 173.77 2cag s SER 58 N -3.19 0.16 0.31 1.64 0.01 0.13 -4.95 113.70 107.80 2cag s SER 58 Ca 0.17 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.27 2cag s SER 58 Cb -0.03 0.37 0.02 0.00 0.21 0.00 0.00 66.02 66.59 2cag s SER 58 CO 0.06 -0.82 0.63 -0.83 0.41 0.00 0.00 173.24 172.69 2cag s GLY 59 N -3.00 0.44 -0.04 3.44 0.00 -1.26 -0.27 107.32 106.62 2cag s GLY 59 Ca 0.20 -0.77 -0.31 0.00 0.00 0.00 0.00 44.72 43.85 2cag s GLY 59 CO 0.01 -0.44 1.10 0.00 0.00 0.00 0.00 173.10 173.77 2cag s ALA 60 N -3.41 -1.97 -0.04 3.20 0.00 -0.65 -4.52 121.76 114.36 2cag s ALA 60 Ca 0.18 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2cag s ALA 60 Cb -0.03 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2cag s ALA 60 CO 0.11 -0.80 0.12 -0.06 0.00 0.00 0.00 175.76 175.13 2cag s PHE 61 N -2.76 3.44 0.00 0.00 0.08 0.31 0.51 117.98 119.57 2cag s PHE 61 Ca 0.10 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.48 2cag s PHE 61 Cb 0.00 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2cag s PHE 61 CO -0.04 0.62 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 2cag n GLY 62 N 1.35 3.11 2.81 4.36 0.00 0.27 -1.23 105.19 115.86 2cag n GLY 62 Ca -0.14 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 2cag n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cag s THR 63 N -2.46 0.15 -0.08 2.61 2.01 0.08 -1.78 115.64 116.18 2cag s THR 63 Ca 0.00 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2cag s THR 63 Cb 0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 2cag s THR 63 CO 0.00 0.14 0.28 0.12 -0.69 0.00 0.00 174.62 174.47 2cag s PHE 64 N 1.02 3.62 -0.09 4.92 5.36 -0.42 -0.99 117.98 131.40 2cag s PHE 64 Ca -0.10 0.73 -0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2cag s PHE 64 Cb -0.13 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2cag s PHE 64 CO -0.02 0.60 -0.05 0.99 -1.46 0.00 0.00 175.22 175.28 2cag s THR 65 N -0.74 0.79 0.15 0.12 2.01 0.17 -1.67 115.64 116.48 2cag s THR 65 Ca 0.19 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2cag s THR 65 Cb -0.14 -0.85 -0.07 0.00 0.01 0.00 0.00 72.50 71.45 2cag s THR 65 CO 0.08 0.32 1.16 -0.69 -0.69 0.00 0.00 174.62 174.80 2cag s VAL 66 N 1.66 3.81 0.00 3.82 1.01 -0.85 -1.96 120.40 127.89 2cag s VAL 66 Ca 0.02 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2cag s VAL 66 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2cag s VAL 66 CO -0.06 0.22 0.33 0.35 0.00 0.00 0.00 175.10 175.93 2cag n THR 67 N 2.78 0.00 -3.84 3.92 -2.24 0.29 0.27 114.28 115.46 2cag n THR 67 Ca 0.05 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2cag n THR 67 Cb 0.46 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 2cag n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cag s HIS 68 N -0.20 0.03 -0.50 4.78 3.76 -0.28 -4.90 115.29 117.98 2cag s HIS 68 Ca 0.00 -0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.52 2cag s HIS 68 Cb 0.00 -0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.71 2cag s HIS 68 CO 0.00 -0.38 0.74 0.34 -0.85 0.00 0.00 174.74 174.58 2cag s ASP 69 N -1.80 6.30 -0.15 1.40 2.15 -1.26 -4.75 116.67 118.55 2cag s ASP 69 Ca -0.09 -0.55 0.16 0.00 0.43 0.00 0.00 52.55 52.50 2cag s ASP 69 Cb -0.03 -2.35 0.64 0.00 -0.30 0.00 0.00 42.92 40.87 2cag s ASP 69 CO -0.01 -0.97 1.55 2.30 -0.17 0.00 0.00 175.17 177.87 2cag n ILE 70 N 5.89 2.07 -0.47 4.11 -5.35 -1.26 -4.69 119.36 119.66 2cag n ILE 70 Ca -0.02 -1.42 0.42 0.00 -0.27 0.00 0.00 62.75 61.46 2cag n ILE 70 Cb 0.47 -0.03 0.77 0.00 -1.74 0.00 0.00 39.64 39.11 2cag n ILE 70 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2cag h THR 71 N 3.13 0.22 -0.39 7.28 2.02 -1.84 0.89 112.91 124.22 2cag h THR 71 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2cag h THR 71 Cb 1.48 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2cag h THR 71 CO 0.26 0.00 0.26 0.50 0.37 0.00 0.00 175.52 176.91 2cag h LYS 72 N 0.00 0.26 0.00 6.66 3.64 -2.01 -3.29 116.57 121.84 2cag h LYS 72 Ca 0.71 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.72 2cag h LYS 72 Cb 2.91 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 34.60 2cag h LYS 72 CO -0.01 0.17 -2.24 0.66 -2.27 0.00 0.00 179.45 175.77 2cag n TYR 73 N -4.47 0.22 -3.89 1.91 4.01 0.30 -4.77 117.16 110.47 2cag n TYR 73 Ca 0.05 0.08 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 2cag n TYR 73 Cb 0.26 -1.04 -0.14 0.00 -0.31 0.00 0.00 39.34 38.11 2cag n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2cag s THR 74 N -2.51 0.04 -2.29 -0.72 -1.32 -1.22 -2.66 115.64 104.96 2cag s THR 74 Ca -0.09 -0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.61 2cag s THR 74 Cb 0.06 -0.06 0.48 0.00 -1.51 0.00 0.00 72.50 71.48 2cag s THR 74 CO 0.83 0.02 1.59 -2.11 -2.21 0.00 0.00 174.62 172.74 2cag n ARG 75 N 3.18 1.67 -1.66 7.08 1.85 0.42 -4.49 116.66 124.72 2cag n ARG 75 Ca -0.14 -1.01 -0.48 0.00 -1.00 0.00 0.00 57.85 55.22 2cag n ARG 75 Cb 0.59 -1.40 -0.05 0.00 -1.05 0.00 0.00 32.46 30.55 2cag n ARG 75 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2cag n ALA 76 N 0.23 0.75 -0.06 2.89 0.00 -1.22 -4.84 120.51 118.26 2cag n ALA 76 Ca 0.16 0.42 0.06 0.00 0.00 0.00 0.00 53.44 54.09 2cag n ALA 76 Cb 0.32 -2.32 0.42 0.00 0.00 0.00 0.00 19.45 17.86 2cag n ALA 76 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2cag h LYS 77 N 6.43 0.56 -0.40 0.00 1.79 -1.93 -1.66 116.57 121.36 2cag h LYS 77 Ca -0.46 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.08 2cag h LYS 77 Cb 1.28 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2cag h LYS 77 CO 0.88 0.37 0.28 0.97 -1.08 0.00 0.00 179.45 180.88 2cag h ILE 78 N 0.58 0.83 -0.01 1.86 2.10 -1.95 -1.06 117.51 119.87 2cag h ILE 78 Ca 0.22 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.14 2cag h ILE 78 Cb 0.13 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 2cag h ILE 78 CO -0.06 0.01 -0.70 0.49 -1.08 0.00 0.00 178.15 176.82 2cag n PHE 79 N -4.43 0.00 0.27 2.19 3.72 -0.66 -4.67 117.46 113.87 2cag n PHE 79 Ca 0.06 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.62 2cag n PHE 79 Cb 0.44 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.73 2cag n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2cag h SER 80 N 0.89 0.00 -3.53 4.37 4.64 -0.76 -3.42 113.55 115.74 2cag h SER 80 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2cag h SER 80 Cb 0.54 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.41 2cag h SER 80 CO 0.00 0.00 0.02 -1.83 -0.87 0.00 0.00 176.83 174.15 2cag s GLU 81 N -4.22 0.72 0.18 4.77 -1.05 -1.26 -4.93 118.70 112.92 2cag s GLU 81 Ca -0.03 1.04 -0.33 0.00 -0.15 0.00 0.00 54.97 55.50 2cag s GLU 81 Cb 0.10 0.25 -0.15 0.00 -0.44 0.00 0.00 34.13 33.89 2cag s GLU 81 CO 0.32 -0.12 1.26 0.28 0.95 0.00 0.00 175.26 177.95 2cag n VAL 82 N 3.48 0.81 0.00 1.83 0.31 -1.26 0.07 118.33 123.56 2cag n VAL 82 Ca -0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2cag n VAL 82 Cb 0.57 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2cag n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cag n GLY 83 N 2.14 2.46 3.75 2.92 0.00 0.14 -4.97 105.19 111.63 2cag n GLY 83 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2cag n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cag s LYS 84 N -0.56 4.30 -0.28 1.61 2.20 0.11 -4.71 119.74 122.42 2cag s LYS 84 Ca 0.00 2.24 -0.07 0.00 -0.36 0.00 0.00 55.97 57.78 2cag s LYS 84 Cb 0.00 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2cag s LYS 84 CO 0.00 -0.35 0.07 0.15 -0.36 0.00 0.00 175.35 174.86 2cag s LYS 85 N -0.57 3.27 -0.10 4.03 -0.14 -1.26 -2.00 119.74 122.97 2cag s LYS 85 Ca 0.57 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 54.45 2cag s LYS 85 Cb -0.40 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.38 2cag s LYS 85 CO 0.44 -0.36 -0.12 0.99 -0.76 0.00 0.00 175.35 175.54 2cag s THR 86 N 1.53 3.18 0.22 2.17 2.01 -0.67 -4.98 115.64 119.10 2cag s THR 86 Ca 0.04 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 2cag s THR 86 Cb -0.16 -2.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 2cag s THR 86 CO 0.02 0.55 0.90 -1.61 -0.69 0.00 0.00 174.62 173.80 2cag s GLU 87 N -0.15 4.79 0.12 4.92 2.02 -1.26 -1.30 118.70 127.84 2cag s GLU 87 Ca -0.00 1.41 -0.15 0.00 0.02 0.00 0.00 54.97 56.25 2cag s GLU 87 Cb -0.13 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2cag s GLU 87 CO 0.03 0.53 0.38 1.41 0.02 0.00 0.00 175.26 177.62 2cag s MET 88 N -1.15 1.05 0.06 1.61 -2.45 -0.73 -0.36 119.30 117.33 2cag s MET 88 Ca 0.40 -0.76 0.09 0.00 -1.25 0.00 0.00 55.69 54.17 2cag s MET 88 Cb -0.25 0.45 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 2cag s MET 88 CO 0.31 -0.41 -0.22 0.12 1.05 0.00 0.00 175.02 175.87 2cag s PHE 89 N -3.82 2.44 -0.05 4.11 5.36 -0.86 0.95 117.98 126.13 2cag s PHE 89 Ca 0.04 -0.33 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 2cag s PHE 89 Cb 0.02 -1.39 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 2cag s PHE 89 CO -0.11 0.24 -0.15 0.00 -1.46 0.00 0.00 175.22 173.74 2cag s ALA 90 N -0.93 1.40 -0.14 11.12 0.00 0.18 -1.39 121.76 132.01 2cag s ALA 90 Ca 0.14 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2cag s ALA 90 Cb -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2cag s ALA 90 CO 0.05 0.23 -0.17 0.50 0.00 0.00 0.00 175.76 176.37 2cag s ARG 91 N 0.16 2.50 0.04 0.00 3.52 0.54 -1.64 118.95 124.06 2cag s ARG 91 Ca -0.06 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2cag s ARG 91 Cb -0.12 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2cag s ARG 91 CO 0.02 -0.12 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.32 2cag s PHE 92 N 1.14 3.02 0.36 5.12 0.08 0.62 -1.97 117.98 126.35 2cag s PHE 92 Ca -0.02 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2cag s PHE 92 Cb -0.14 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 2cag s PHE 92 CO -0.06 0.46 0.44 -1.13 -0.10 0.00 0.00 175.22 174.84 2cag n SER 93 N 1.03 -1.21 0.00 1.36 3.41 -1.20 0.18 113.62 117.19 2cag n SER 93 Ca -0.13 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2cag n SER 93 Cb 0.52 2.37 0.00 0.00 -0.26 0.00 0.00 64.21 66.84 2cag n SER 93 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2cag n THR 94 N -0.61 0.00 0.11 6.66 -2.24 -0.56 -1.48 114.28 116.16 2cag n THR 94 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2cag n THR 94 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2cag n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2cag n VAL 95 N 0.00 0.39 -0.00 2.28 0.31 -1.26 -4.21 118.33 115.84 2cag n VAL 95 Ca 0.00 0.13 -0.17 0.00 -0.01 0.00 0.00 64.34 64.29 2cag n VAL 95 Cb 0.00 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.96 2cag n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cag h ALA 96 N 0.00 0.12 -2.84 3.52 0.00 -1.92 -0.69 119.26 117.45 2cag h ALA 96 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 2cag h ALA 96 Cb 0.03 0.02 0.11 0.00 0.00 0.00 0.00 17.79 17.95 2cag h ALA 96 CO 0.00 0.39 0.48 0.20 0.00 0.00 0.00 179.25 180.33 2cag s GLY 97 N -4.05 2.76 0.87 0.00 0.00 -1.26 -4.79 107.32 100.86 2cag s GLY 97 Ca -0.13 1.03 -0.09 0.00 0.00 0.00 0.00 44.72 45.54 2cag s GLY 97 CO 0.83 1.44 1.19 -0.54 0.00 0.00 0.00 173.10 176.03 2cag s GLU 98 N -3.24 0.91 0.58 2.90 8.01 -1.26 -3.65 118.70 122.94 2cag s GLU 98 Ca 0.76 -0.90 0.36 0.00 0.01 0.00 0.00 54.97 55.20 2cag s GLU 98 Cb -0.31 -2.07 1.37 0.00 -4.31 0.00 0.00 34.13 28.80 2cag s GLU 98 CO 0.34 -2.10 1.55 -0.09 0.01 0.00 0.00 175.26 174.98 2cag h ARG 99 N -1.20 0.00 0.00 1.61 2.43 -1.95 -0.37 114.38 114.90 2cag h ARG 99 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2cag h ARG 99 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2cag h ARG 99 CO 0.34 0.00 -0.10 0.41 -1.51 0.00 0.00 179.97 179.11 2cag n GLY 100 N -1.77 3.25 3.70 2.80 0.00 -1.26 -4.81 105.19 107.11 2cag n GLY 100 Ca 0.29 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2cag n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cag s ALA 101 N -1.83 1.14 0.33 4.61 0.00 -0.15 -4.98 121.76 120.89 2cag s ALA 101 Ca 0.19 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 2cag s ALA 101 Cb 0.16 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 2cag s ALA 101 CO 0.02 -2.91 1.15 0.00 0.00 0.00 0.00 175.76 174.02 2cag s ALA 102 N -3.14 3.31 0.08 0.00 0.00 -1.26 -4.88 121.76 115.88 2cag s ALA 102 Ca 0.67 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 2cag s ALA 102 Cb -0.14 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 2cag s ALA 102 CO 0.56 -0.34 1.29 -0.44 0.00 0.00 0.00 175.76 176.82 2cag h ASP 103 N 3.27 0.85 -1.61 0.00 5.19 -1.69 -3.38 116.42 119.03 2cag h ASP 103 Ca -0.48 -0.63 -0.77 0.00 -0.62 0.00 0.00 57.03 54.54 2cag h ASP 103 Cb 1.22 -0.25 -0.17 0.00 0.18 0.00 0.00 39.33 40.31 2cag h ASP 103 CO 0.65 1.33 1.84 0.00 -3.12 0.00 0.00 179.24 179.94 2cag n ALA 104 N -2.59 5.36 -2.56 3.45 0.00 -1.26 -4.85 120.51 118.06 2cag n ALA 104 Ca -0.07 -4.40 -0.25 0.00 0.00 0.00 0.00 53.44 48.72 2cag n ALA 104 Cb 0.69 -2.88 -0.09 0.00 0.00 0.00 0.00 19.45 17.17 2cag n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cag s GLU 105 N -0.14 2.01 -0.39 0.00 2.02 -1.26 -4.84 118.70 116.10 2cag s GLU 105 Ca 0.38 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.69 2cag s GLU 105 Cb 0.09 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.25 2cag s GLU 105 CO 0.02 0.40 1.34 0.50 0.02 0.00 0.00 175.26 177.54 2cag s ARG 106 N -3.10 3.69 -0.05 1.61 3.52 -1.26 -4.74 118.95 118.62 2cag s ARG 106 Ca 0.27 0.97 -0.31 0.00 -0.13 0.00 0.00 55.73 56.52 2cag s ARG 106 Cb -0.08 -3.97 0.11 0.00 -1.56 0.00 0.00 34.95 29.46 2cag s ARG 106 CO 0.16 -1.41 1.03 0.34 -0.81 0.00 0.00 175.30 174.61 2cag s ASP 107 N 3.39 -0.25 0.98 -2.12 2.15 -0.97 -5.03 116.67 114.82 2cag s ASP 107 Ca 0.58 -0.05 -0.11 0.00 0.43 0.00 0.00 52.55 53.40 2cag s ASP 107 Cb -0.13 0.29 0.18 0.00 -0.30 0.00 0.00 42.92 42.96 2cag s ASP 107 CO 0.30 -0.49 1.09 -0.63 -0.17 0.00 0.00 175.17 175.27 2cag s ILE 108 N -2.84 2.28 0.08 4.11 1.01 -1.26 -4.71 121.20 119.86 2cag s ILE 108 Ca 0.08 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.90 2cag s ILE 108 Cb -0.01 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2cag s ILE 108 CO -0.06 -0.12 -0.23 -0.13 0.00 0.00 0.00 174.94 174.40 2cag s ARG 109 N -4.67 1.36 0.21 2.79 1.81 -1.26 -4.19 118.95 114.99 2cag s ARG 109 Ca 0.66 -1.13 -0.09 0.00 -1.72 0.00 0.00 55.73 53.45 2cag s ARG 109 Cb -0.22 -1.61 -0.07 0.00 -0.45 0.00 0.00 34.95 32.60 2cag s ARG 109 CO 0.60 0.39 0.53 0.20 -0.68 0.00 0.00 175.30 176.34 2cag s GLY 110 N -1.62 2.29 -0.38 -3.53 0.00 -0.55 -0.86 107.32 102.68 2cag s GLY 110 Ca 0.09 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2cag s GLY 110 CO 0.04 -0.15 0.28 -0.12 0.00 0.00 0.00 173.10 173.15 2cag s PHE 111 N -1.77 0.72 -0.14 1.90 2.19 0.97 -3.24 117.98 118.61 2cag s PHE 111 Ca 0.46 -1.81 -0.02 0.00 0.33 0.00 0.00 56.93 55.89 2cag s PHE 111 Cb -0.12 -0.84 -0.02 0.00 -1.31 0.00 0.00 43.02 40.73 2cag s PHE 111 CO 0.21 -0.85 -0.07 0.00 1.83 0.00 0.00 175.22 176.35 2cag s ALA 112 N 0.71 2.89 -0.04 11.12 0.00 -0.83 -0.42 121.76 135.19 2cag s ALA 112 Ca 0.24 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.43 2cag s ALA 112 Cb -0.11 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2cag s ALA 112 CO -0.07 0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 175.17 2cag s LEU 113 N 0.31 2.05 -0.18 0.00 1.02 0.22 -0.34 118.68 121.76 2cag s LEU 113 Ca -0.06 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.62 2cag s LEU 113 Cb -0.15 -1.32 0.04 0.00 0.02 0.00 0.00 46.19 44.78 2cag s LEU 113 CO 0.04 0.27 -0.09 -0.75 0.02 0.00 0.00 176.35 175.84 2cag s LYS 114 N -0.36 1.89 -0.23 1.70 2.20 -0.48 0.66 119.74 125.11 2cag s LYS 114 Ca 0.03 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 54.85 2cag s LYS 114 Cb -0.12 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 2cag s LYS 114 CO 0.01 -0.41 0.08 -0.06 -0.36 0.00 0.00 175.35 174.62 2cag s PHE 115 N 1.47 3.14 -1.03 4.03 0.08 0.30 -2.02 117.98 123.95 2cag s PHE 115 Ca 0.00 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.65 2cag s PHE 115 Cb -0.16 -2.20 0.14 0.00 -0.57 0.00 0.00 43.02 40.23 2cag s PHE 115 CO -0.08 -0.19 1.25 0.71 -0.10 0.00 0.00 175.22 176.81 2cag s TYR 116 N 1.27 3.22 0.42 0.36 2.02 0.51 -1.48 117.35 123.67 2cag s TYR 116 Ca 0.05 -1.63 0.08 0.00 -0.37 0.00 0.00 57.07 55.20 2cag s TYR 116 Cb -0.15 -4.32 0.01 0.00 -0.40 0.00 0.00 41.96 37.10 2cag s TYR 116 CO 0.04 -1.48 0.56 0.95 -1.57 0.00 0.00 175.55 174.04 2cag s THR 117 N 2.43 3.01 -0.74 -0.71 -4.23 -0.86 -4.24 115.64 110.30 2cag s THR 117 Ca 0.37 -1.02 0.20 0.00 -1.18 0.00 0.00 61.69 60.06 2cag s THR 117 Cb -0.04 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.99 2cag s THR 117 CO -0.06 -0.00 1.62 -0.62 -0.54 0.00 0.00 174.62 175.01 2cag n GLU 118 N -1.83 0.11 -0.10 3.99 4.71 -1.26 -2.63 120.64 123.63 2cag n GLU 118 Ca 0.08 0.32 0.08 0.00 -0.01 0.00 0.00 57.16 57.62 2cag n GLU 118 Cb 0.59 -1.69 0.12 0.00 -1.01 0.00 0.00 31.44 29.45 2cag n GLU 118 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2cag n GLU 119 N -1.89 1.85 0.00 3.49 1.02 -1.26 -4.97 120.64 118.88 2cag n GLU 119 Ca 0.03 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 2cag n GLU 119 Cb 0.22 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2cag n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cag n GLY 120 N -1.09 2.92 3.68 0.62 0.00 -1.08 -4.59 105.19 105.65 2cag n GLY 120 Ca 0.13 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 2cag n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cag s ASN 121 N 0.00 6.27 -0.22 1.61 0.02 -1.26 -2.03 114.94 119.33 2cag s ASN 121 Ca 0.00 0.30 -0.07 0.00 -1.02 0.00 0.00 52.86 52.07 2cag s ASN 121 Cb 0.00 -2.15 -0.03 0.00 0.02 0.00 0.00 41.25 39.09 2cag s ASN 121 CO 0.00 0.04 0.05 0.86 0.02 0.00 0.00 177.10 178.07 2cag s TRP 122 N 0.97 3.12 -0.12 2.20 -0.00 -0.55 -4.17 118.94 120.39 2cag s TRP 122 Ca 0.12 -0.26 -0.00 0.00 -0.00 0.00 0.00 56.10 55.96 2cag s TRP 122 Cb -0.13 -2.15 -0.02 0.00 -0.00 0.00 0.00 33.47 31.16 2cag s TRP 122 CO 0.05 -0.17 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.22 2cag s ASP 123 N 1.07 4.26 -0.37 5.86 1.01 0.00 0.11 116.67 128.61 2cag s ASP 123 Ca 0.04 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.07 2cag s ASP 123 Cb -0.14 -1.49 0.11 0.00 1.01 0.00 0.00 42.92 42.40 2cag s ASP 123 CO 0.03 0.21 0.12 -0.32 0.21 0.00 0.00 175.17 175.43 2cag s MET 124 N 0.07 1.73 -0.73 8.23 1.75 0.21 -4.65 119.30 125.90 2cag s MET 124 Ca -0.04 -1.86 -0.18 0.00 -1.25 0.00 0.00 55.69 52.36 2cag s MET 124 Cb -0.14 -3.39 0.14 0.00 2.84 0.00 0.00 34.83 34.28 2cag s MET 124 CO 0.04 -1.00 0.83 0.08 -0.65 0.00 0.00 175.02 174.32 2cag s VAL 125 N 0.99 4.97 0.00 10.11 1.01 -1.26 -0.61 120.40 135.61 2cag s VAL 125 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2cag s VAL 125 Cb -0.21 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.61 2cag s VAL 125 CO -0.06 -1.21 0.00 0.61 0.00 0.00 0.00 175.10 174.44 2cag n GLY 126 N 5.04 6.26 3.40 4.51 0.00 0.44 -4.96 105.19 119.88 2cag n GLY 126 Ca 0.05 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 2cag n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cag s ASN 127 N 0.47 2.09 -0.10 1.61 0.01 -1.01 -0.02 114.94 118.00 2cag s ASN 127 Ca 0.00 -1.63 0.02 0.00 -0.71 0.00 0.00 52.86 50.53 2cag s ASN 127 Cb 0.00 0.45 0.17 0.00 0.41 0.00 0.00 41.25 42.28 2cag s ASN 127 CO 0.00 -0.93 1.12 -0.46 -1.51 0.00 0.00 177.10 175.32 2cag n ASN 128 N -1.18 2.92 -3.74 -1.22 6.94 -0.03 -1.03 115.26 117.92 2cag n ASN 128 Ca -0.01 -2.35 -0.13 0.00 -0.02 0.00 0.00 54.58 52.07 2cag n ASN 128 Cb 0.64 -0.57 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 2cag n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2cag s THR 129 N -0.95 0.01 -1.37 5.53 -1.32 -1.26 -4.73 115.64 111.54 2cag s THR 129 Ca 0.14 -0.07 0.28 0.00 -1.21 0.00 0.00 61.69 60.82 2cag s THR 129 Cb 0.11 -0.57 0.45 0.00 -1.51 0.00 0.00 72.50 70.98 2cag s THR 129 CO 0.03 -0.04 1.95 -0.81 -2.21 0.00 0.00 174.62 173.54 2cag n PRO 130 N 2.58 0.34 -4.32 7.08 -0.04 -1.26 -4.42 135.00 134.96 2cag n PRO 130 Ca -0.15 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 2cag n PRO 130 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2cag n PRO 130 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cag s VAL 131 N -2.63 0.12 0.20 0.52 1.01 -1.26 -4.47 120.40 113.89 2cag s VAL 131 Ca 0.25 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.26 2cag s VAL 131 Cb 0.19 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2cag s VAL 131 CO 0.44 0.00 0.20 0.33 0.00 0.00 0.00 175.10 176.06 2cag n PHE 132 N -0.63 -0.61 0.28 5.22 7.35 -0.95 -4.98 117.46 123.15 2cag n PHE 132 Ca 0.04 -1.62 0.12 0.00 -0.76 0.00 0.00 57.45 55.23 2cag n PHE 132 Cb 0.63 0.21 0.20 0.00 0.35 0.00 0.00 39.48 40.87 2cag n PHE 132 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2cag h TYR 133 N 1.64 0.00 -2.26 -5.13 -1.99 -1.90 -3.41 116.97 103.92 2cag h TYR 133 Ca -0.15 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.00 2cag h TYR 133 Cb 0.72 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.31 2cag h TYR 133 CO 0.00 0.00 -0.74 -0.51 -0.00 0.00 0.00 178.16 176.91 2cag s LEU 134 N -5.88 2.61 -0.02 3.88 1.43 -1.26 -3.11 118.68 116.33 2cag s LEU 134 Ca 0.07 -1.07 0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2cag s LEU 134 Cb 0.06 -1.01 -0.16 0.00 0.03 0.00 0.00 46.19 45.11 2cag s LEU 134 CO 0.67 -0.05 0.22 -1.14 0.23 0.00 0.00 176.35 176.28 2cag n ARG 135 N -0.62 0.43 -4.07 1.70 0.63 -1.26 -4.45 116.66 109.02 2cag n ARG 135 Ca -0.05 -0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.62 2cag n ARG 135 Cb 0.61 -1.25 -0.15 0.00 0.45 0.00 0.00 32.46 32.11 2cag n ARG 135 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2cag s ASP 136 N -3.28 0.58 0.62 6.15 -1.08 -1.26 -4.31 116.67 114.09 2cag s ASP 136 Ca -0.04 -0.07 0.36 0.00 -0.52 0.00 0.00 52.55 52.27 2cag s ASP 136 Cb 0.07 -0.19 2.06 0.00 -1.46 0.00 0.00 42.92 43.39 2cag s ASP 136 CO 0.44 -0.02 2.29 1.55 0.52 0.00 0.00 175.17 179.95 2cag h PRO 137 N 6.66 0.00 0.00 4.34 0.13 -1.89 -2.81 132.00 138.42 2cag h PRO 137 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2cag h PRO 137 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2cag h PRO 137 CO 0.49 0.00 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.15 2cag h LEU 138 N 0.00 0.00 -0.43 1.56 3.38 -1.97 0.15 115.31 118.00 2cag h LEU 138 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2cag h LEU 138 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2cag h LEU 138 CO -0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86 2cag n LYS 139 N -3.73 1.29 -0.04 1.13 4.76 -1.06 -4.07 118.16 116.44 2cag n LYS 139 Ca -0.03 -0.43 -0.13 0.00 -2.87 0.00 0.00 58.31 54.86 2cag n LYS 139 Cb 0.13 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 2cag n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2cag h PHE 140 N 0.97 0.25 -0.68 2.13 3.57 -0.89 -0.78 116.94 121.52 2cag h PHE 140 Ca 0.00 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.54 2cag h PHE 140 Cb 0.21 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 2cag h PHE 140 CO 0.02 0.58 0.28 -1.35 -2.23 0.00 0.00 178.31 175.61 2cag h PRO 141 N -0.14 0.46 -0.54 6.41 0.11 -1.77 -1.46 132.00 135.06 2cag h PRO 141 Ca 0.02 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2cag h PRO 141 Cb 0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2cag h PRO 141 CO 0.02 0.31 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.63 2cag h ASP 142 N 0.48 0.97 -1.00 -2.05 3.32 -1.76 0.22 116.42 116.60 2cag h ASP 142 Ca 0.35 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2cag h ASP 142 Cb 0.43 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 2cag h ASP 142 CO -0.32 1.06 0.66 0.25 -1.72 0.00 0.00 179.24 179.18 2cag h LEU 143 N 0.85 1.13 -0.83 1.55 5.85 -0.42 -1.17 115.31 122.27 2cag h LEU 143 Ca 0.15 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2cag h LEU 143 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2cag h LEU 143 CO 0.04 0.80 0.40 -1.13 -0.34 0.00 0.00 178.44 178.20 2cag h ASN 144 N 1.32 1.08 0.23 1.25 -0.73 -0.48 -1.56 115.58 116.69 2cag h ASN 144 Ca 0.38 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.41 2cag h ASN 144 Cb -0.09 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.23 2cag h ASN 144 CO -0.10 0.91 -0.02 0.45 -0.37 0.00 0.00 177.43 178.30 2cag h HIS 145 N 1.17 0.00 0.00 0.67 3.86 0.30 -1.33 115.15 119.82 2cag h HIS 145 Ca 0.28 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.37 2cag h HIS 145 Cb 0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2cag h HIS 145 CO 0.01 0.02 -1.75 0.44 0.86 0.00 0.00 177.93 177.51 2cag n ILE 146 N -3.29 0.48 0.08 2.45 -6.64 -0.85 -4.40 119.36 107.19 2cag n ILE 146 Ca -0.02 -0.43 -0.06 0.00 -1.77 0.00 0.00 62.75 60.47 2cag n ILE 146 Cb 0.14 -0.29 0.09 0.00 -1.44 0.00 0.00 39.64 38.13 2cag n ILE 146 CO 0.00 0.00 0.00 0.58 -1.77 0.00 0.00 176.55 175.36 2cag h VAL 147 N 0.00 1.40 0.00 7.28 2.07 -1.21 -3.41 116.25 122.38 2cag h VAL 147 Ca -0.19 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2cag h VAL 147 Cb 1.27 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2cag h VAL 147 CO 0.01 0.62 0.00 0.29 0.02 0.00 0.00 177.57 178.51 2cag n LYS 148 N -3.83 0.00 -4.16 1.57 5.02 -0.51 -4.89 118.16 111.36 2cag n LYS 148 Ca -0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2cag n LYS 148 Cb 0.66 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.59 2cag n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cag s ARG 149 N 2.35 2.48 0.20 1.97 0.52 -1.26 -4.21 118.95 120.99 2cag s ARG 149 Ca 0.00 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 2cag s ARG 149 Cb 0.00 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 2cag s ARG 149 CO 0.00 0.50 1.34 0.34 0.02 0.00 0.00 175.30 177.50 2cag s ASP 150 N -2.57 6.85 0.41 0.23 -1.08 0.22 -4.87 116.67 115.86 2cag s ASP 150 Ca 0.26 2.45 0.12 0.00 -0.52 0.00 0.00 52.55 54.86 2cag s ASP 150 Cb -0.11 -2.61 0.96 0.00 -1.46 0.00 0.00 42.92 39.70 2cag s ASP 150 CO 0.18 -0.56 1.95 1.55 0.52 0.00 0.00 175.17 178.81 2cag h PRO 151 N 5.37 0.49 0.00 4.34 0.13 -1.93 -1.02 132.00 139.38 2cag h PRO 151 Ca -0.45 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 2cag h PRO 151 Cb 1.21 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 2cag h PRO 151 CO 0.78 0.32 -2.16 2.89 -0.23 0.00 0.00 178.00 179.60 2cag n ARG 152 N -4.48 0.71 0.18 0.86 1.85 -1.26 -4.65 116.66 109.86 2cag n ARG 152 Ca 0.12 0.09 0.03 0.00 -1.00 0.00 0.00 57.85 57.09 2cag n ARG 152 Cb 0.40 -1.41 0.38 0.00 -1.05 0.00 0.00 32.46 30.78 2cag n ARG 152 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2cag h THR 153 N 0.00 1.23 -2.36 8.89 2.02 -1.94 -3.46 112.91 117.29 2cag h THR 153 Ca -0.46 -1.09 -0.37 0.00 0.77 0.00 0.00 66.41 65.26 2cag h THR 153 Cb 1.78 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.70 2cag h THR 153 CO -0.05 0.32 -0.45 -3.20 0.37 0.00 0.00 175.52 172.50 2cag n ASN 154 N -4.16 -5.35 -4.36 4.18 5.15 -0.39 -4.97 115.26 105.35 2cag n ASN 154 Ca -0.02 0.06 -0.18 0.00 -0.60 0.00 0.00 54.58 53.84 2cag n ASN 154 Cb 0.36 -4.42 -0.10 0.00 -0.53 0.00 0.00 39.78 35.09 2cag n ASN 154 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cag s MET 155 N -4.70 1.41 0.31 1.20 -1.94 -1.26 -4.78 119.30 109.54 2cag s MET 155 Ca 0.00 -1.73 -0.29 0.00 -1.71 0.00 0.00 55.69 51.97 2cag s MET 155 Cb 0.00 -0.73 -0.10 0.00 2.01 0.00 0.00 34.83 36.01 2cag s MET 155 CO 0.00 -0.09 1.19 1.03 -0.01 0.00 0.00 175.02 177.14 2cag s ARG 156 N -3.85 4.47 -0.38 2.03 0.52 -1.26 0.73 118.95 121.21 2cag s ARG 156 Ca 0.30 1.97 0.03 0.00 -0.52 0.00 0.00 55.73 57.51 2cag s ARG 156 Cb 0.06 -3.09 0.11 0.00 0.52 0.00 0.00 34.95 32.54 2cag s ARG 156 CO 0.10 0.01 0.11 1.21 0.02 0.00 0.00 175.30 176.75 2cag s ASN 157 N -0.75 4.75 0.66 0.23 3.84 -1.26 -4.83 114.94 117.58 2cag s ASN 157 Ca 0.47 -2.31 0.31 0.00 0.21 0.00 0.00 52.86 51.54 2cag s ASN 157 Cb -0.35 -1.65 1.66 0.00 -0.55 0.00 0.00 41.25 40.36 2cag s ASN 157 CO 0.45 -0.37 1.94 0.24 -2.79 0.00 0.00 177.10 176.57 2cag h MET 158 N 7.45 0.00 0.00 0.43 2.86 -1.91 -1.58 114.93 122.17 2cag h MET 158 Ca -0.05 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2cag h MET 158 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2cag h MET 158 CO 0.57 0.00 -0.51 0.00 1.06 0.00 0.00 176.91 178.03 2cag h ALA 159 N 1.36 0.98 0.12 6.32 0.00 -1.88 -2.14 119.26 124.02 2cag h ALA 159 Ca 0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 2cag h ALA 159 Cb 0.65 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2cag h ALA 159 CO -0.00 0.64 -1.04 1.88 0.00 0.00 0.00 179.25 180.73 2cag h TYR 160 N 0.00 0.47 0.24 0.00 0.05 -1.68 -2.56 116.97 113.48 2cag h TYR 160 Ca -0.01 -0.34 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 2cag h TYR 160 Cb 1.01 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 2cag h TYR 160 CO 0.00 1.40 -0.41 -0.22 -1.05 0.00 0.00 178.16 177.89 2cag h LYS 161 N -0.39 -0.66 0.00 4.88 3.64 -1.49 -0.90 116.57 121.65 2cag h LYS 161 Ca -0.21 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2cag h LYS 161 Cb 1.66 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2cag h LYS 161 CO 0.10 -0.44 -0.16 -1.49 -2.27 0.00 0.00 179.45 175.19 2cag h TRP 162 N -0.69 0.00 -0.08 1.91 4.06 -1.54 -0.11 115.95 119.51 2cag h TRP 162 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 2cag h TRP 162 Cb 0.64 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.80 2cag h TRP 162 CO -0.32 0.16 0.05 0.22 -3.56 0.00 0.00 178.44 174.98 2cag h ASP 163 N 0.00 0.10 0.43 -3.49 3.58 -1.04 0.14 116.42 116.14 2cag h ASP 163 Ca -0.00 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2cag h ASP 163 Cb 0.40 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2cag h ASP 163 CO 0.02 0.12 -0.24 0.15 -2.88 0.00 0.00 179.24 176.41 2cag h PHE 164 N 0.06 -0.64 -0.36 0.28 3.57 0.25 -3.12 116.94 116.99 2cag h PHE 164 Ca 0.03 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2cag h PHE 164 Cb 0.05 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2cag h PHE 164 CO -0.06 -0.37 0.29 0.74 -2.23 0.00 0.00 178.31 176.68 2cag h PHE 165 N -0.62 0.00 0.00 0.41 0.04 -1.05 0.21 116.94 115.93 2cag h PHE 165 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2cag h PHE 165 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2cag h PHE 165 CO 0.05 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.63 2cag n SER 166 N -4.21 0.14 -1.18 2.17 3.41 0.03 -1.22 113.62 112.76 2cag n SER 166 Ca 0.06 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2cag n SER 166 Cb 0.47 -0.56 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 2cag n SER 166 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2cag n HIS 167 N -1.64 0.64 -3.61 7.33 8.25 0.75 -4.73 115.22 122.20 2cag n HIS 167 Ca 0.04 -0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 56.89 2cag n HIS 167 Cb 0.23 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.22 2cag n HIS 167 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cag s LEU 168 N -1.32 2.08 0.63 2.41 1.43 -0.36 -4.98 118.68 118.56 2cag s LEU 168 Ca 0.41 -2.51 0.42 0.00 -1.03 0.00 0.00 54.13 51.42 2cag s LEU 168 Cb 0.23 -0.80 2.29 0.00 0.03 0.00 0.00 46.19 47.94 2cag s LEU 168 CO 0.32 -0.27 2.29 -0.65 0.23 0.00 0.00 176.35 178.26 2cag h PRO 169 N 6.76 0.00 0.00 1.29 0.11 -1.85 -1.92 132.00 136.39 2cag h PRO 169 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2cag h PRO 169 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2cag h PRO 169 CO 0.40 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.34 2cag n GLU 170 N -2.98 0.32 0.03 1.05 0.00 -1.26 -1.64 120.64 116.16 2cag n GLU 170 Ca -0.03 0.07 0.13 0.00 0.00 0.00 0.00 57.16 57.33 2cag n GLU 170 Cb 0.07 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.38 2cag n GLU 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2cag n SER 171 N -1.29 0.43 -0.24 -1.84 3.41 -0.72 -4.17 113.62 109.20 2cag n SER 171 Ca 0.11 0.19 0.18 0.00 -0.26 0.00 0.00 58.87 59.08 2cag n SER 171 Cb 0.19 -0.16 0.49 0.00 -0.26 0.00 0.00 64.21 64.47 2cag n SER 171 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cag h LEU 172 N 0.00 0.44 0.14 1.04 -0.00 -1.51 -0.38 115.31 115.04 2cag h LEU 172 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2cag h LEU 172 Cb 0.59 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2cag h LEU 172 CO 0.00 0.19 -0.07 -0.74 -0.00 0.00 0.00 178.44 177.82 2cag h HIS 173 N 0.45 -0.18 -0.14 1.13 2.76 -1.81 -1.97 115.15 115.40 2cag h HIS 173 Ca 0.46 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.43 2cag h HIS 173 Cb 1.07 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.09 2cag h HIS 173 CO -0.00 0.07 -0.69 0.37 -1.30 0.00 0.00 177.93 176.38 2cag h GLN 174 N -0.40 0.59 -0.45 5.26 5.75 -1.44 -2.24 115.11 122.17 2cag h GLN 174 Ca -0.02 -0.45 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 2cag h GLN 174 Cb 0.32 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2cag h GLN 174 CO 0.03 1.07 0.20 -0.07 -2.65 0.00 0.00 178.83 177.41 2cag h LEU 175 N 0.42 0.56 -1.12 -2.39 3.38 -1.12 0.57 115.31 115.61 2cag h LEU 175 Ca -0.02 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2cag h LEU 175 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2cag h LEU 175 CO 0.13 0.49 -0.37 0.74 0.09 0.00 0.00 178.44 179.52 2cag h THR 176 N 0.63 1.28 0.04 0.22 2.02 -0.79 0.74 112.91 117.05 2cag h THR 176 Ca 0.16 -1.36 -0.26 0.00 0.77 0.00 0.00 66.41 65.72 2cag h THR 176 Cb 0.09 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2cag h THR 176 CO -0.02 0.40 -1.07 0.40 0.37 0.00 0.00 175.52 175.60 2cag h ILE 177 N 0.11 1.36 -0.19 3.11 2.04 0.15 -2.75 117.51 121.33 2cag h ILE 177 Ca 0.01 -2.48 -0.01 0.00 1.00 0.00 0.00 64.86 63.38 2cag h ILE 177 Cb 0.71 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2cag h ILE 177 CO 0.05 0.75 0.09 0.44 0.00 0.00 0.00 178.15 179.48 2cag h ASP 178 N 0.26 0.25 0.50 1.72 3.32 0.38 -2.49 116.42 120.36 2cag h ASP 178 Ca -0.12 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2cag h ASP 178 Cb 1.73 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.21 2cag h ASP 178 CO 0.19 0.30 0.00 0.23 -1.72 0.00 0.00 179.24 178.24 2cag n MET 179 N -4.87 0.33 -1.63 3.56 2.81 0.21 -3.79 117.12 113.73 2cag n MET 179 Ca -0.04 0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.61 2cag n MET 179 Cb 0.09 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.27 2cag n MET 179 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2cag s SER 180 N -2.61 3.02 0.59 7.83 1.04 -0.94 -4.27 113.70 118.37 2cag s SER 180 Ca 0.23 0.64 0.32 0.00 0.48 0.00 0.00 55.95 57.62 2cag s SER 180 Cb 0.17 -0.96 1.85 0.00 0.10 0.00 0.00 66.02 67.17 2cag s SER 180 CO 0.39 -2.82 2.23 0.44 0.98 0.00 0.00 173.24 174.46 2cag h ASP 181 N -1.69 0.00 0.00 7.02 3.32 -1.87 -2.62 116.42 120.58 2cag h ASP 181 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2cag h ASP 181 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2cag h ASP 181 CO 0.49 0.03 0.00 0.54 -1.72 0.00 0.00 179.24 178.58 2cag n ARG 182 N -3.64 0.71 0.00 3.56 1.74 -1.26 -2.93 116.66 114.84 2cag n ARG 182 Ca -0.03 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2cag n ARG 182 Cb 0.12 -1.47 0.71 0.00 -1.02 0.00 0.00 32.46 30.80 2cag n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cag n GLY 183 N 0.41 -1.04 2.42 -0.13 0.00 -0.99 -4.39 105.19 101.48 2cag n GLY 183 Ca 0.16 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2cag n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cag s LEU 184 N -2.42 1.23 0.83 0.99 2.96 -1.15 -2.29 118.68 118.83 2cag s LEU 184 Ca 0.32 -2.74 -0.11 0.00 -0.22 0.00 0.00 54.13 51.38 2cag s LEU 184 Cb 0.20 -0.42 0.09 0.00 0.50 0.00 0.00 46.19 46.57 2cag s LEU 184 CO 0.45 -0.22 1.09 -2.84 -1.32 0.00 0.00 176.35 173.51 2cag s PRO 185 N 0.44 1.76 0.12 0.98 0.02 -1.26 -0.47 135.00 136.59 2cag s PRO 185 Ca 0.27 1.06 -0.09 0.00 0.02 0.00 0.00 61.00 62.27 2cag s PRO 185 Cb -0.06 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 2cag s PRO 185 CO -0.12 -1.96 1.32 1.25 -0.33 0.00 0.00 177.00 177.16 2cag h LEU 186 N -1.36 0.79 0.00 -5.54 5.85 -0.73 -3.39 115.31 110.93 2cag h LEU 186 Ca -0.46 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 57.78 2cag h LEU 186 Cb 1.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2cag h LEU 186 CO 0.52 1.33 0.32 -1.54 -0.34 0.00 0.00 178.44 178.72 2cag n SER 187 N -3.88 -1.26 0.06 1.25 3.41 -1.26 -4.75 113.62 107.18 2cag n SER 187 Ca -0.07 -1.75 0.09 0.00 -0.26 0.00 0.00 58.87 56.88 2cag n SER 187 Cb 0.76 2.08 0.38 0.00 -0.26 0.00 0.00 64.21 67.17 2cag n SER 187 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2cag n TYR 188 N -0.43 0.36 1.28 7.33 4.01 -1.26 -2.54 117.16 125.90 2cag n TYR 188 Ca -0.03 0.14 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 2cag n TYR 188 Cb 0.38 -0.73 0.43 0.00 -0.31 0.00 0.00 39.34 39.11 2cag n TYR 188 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2cag n ARG 189 N -1.83 0.83 -2.98 -0.72 1.74 -1.26 -4.24 116.66 108.20 2cag n ARG 189 Ca 0.03 -0.45 -0.23 0.00 -0.77 0.00 0.00 57.85 56.42 2cag n ARG 189 Cb 0.18 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2cag n ARG 189 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2cag n PHE 190 N -0.69 2.48 -3.78 -1.55 3.72 -1.05 -4.58 117.46 112.02 2cag n PHE 190 Ca 0.13 -3.80 -0.13 0.00 -0.05 0.00 0.00 57.45 53.60 2cag n PHE 190 Cb 0.33 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 2cag n PHE 190 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2cag s VAL 191 N -3.77 0.03 0.18 -4.37 1.01 -1.26 -3.38 120.40 108.85 2cag s VAL 191 Ca 0.45 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2cag s VAL 191 Cb 0.32 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2cag s VAL 191 CO -0.11 -0.15 0.19 -1.00 0.00 0.00 0.00 175.10 174.02 2cag s HIS 192 N -0.65 3.22 0.08 5.22 3.76 -1.26 -4.53 115.29 121.13 2cag s HIS 192 Ca -0.07 -0.01 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 2cag s HIS 192 Cb -0.04 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 2cag s HIS 192 CO 0.02 0.51 -0.16 0.20 -0.85 0.00 0.00 174.74 174.46 2cag s GLY 193 N -3.31 0.98 0.03 -2.22 0.00 -0.57 -4.10 107.32 98.12 2cag s GLY 193 Ca 0.32 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.96 2cag s GLY 193 CO 0.25 -1.10 -0.04 -1.36 0.00 0.00 0.00 173.10 170.85 2cag s PHE 194 N -1.26 0.41 -0.59 1.90 0.40 -0.20 0.15 117.98 118.79 2cag s PHE 194 Ca 0.01 -0.71 0.25 0.00 -0.60 0.00 0.00 56.93 55.88 2cag s PHE 194 Cb -0.10 -0.29 0.88 0.00 0.51 0.00 0.00 43.02 44.03 2cag s PHE 194 CO 0.03 -0.23 1.75 0.78 0.70 0.00 0.00 175.22 178.25 2cag h GLY 195 N 4.10 0.00 0.00 4.36 0.00 -1.56 -2.68 103.07 107.29 2cag h GLY 195 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2cag h GLY 195 CO 0.50 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.48 2cag n SER 196 N -2.31 0.00 -4.76 0.19 7.64 -1.26 -4.82 113.62 108.29 2cag n SER 196 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.62 2cag n SER 196 Cb 0.35 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.67 2cag n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2cag s HIS 197 N 0.00 2.53 -0.05 1.43 3.76 -1.26 -4.81 115.29 116.88 2cag s HIS 197 Ca 0.00 1.09 -0.27 0.00 -0.15 0.00 0.00 55.06 55.72 2cag s HIS 197 Cb 0.00 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 2cag s HIS 197 CO 0.00 -2.22 0.88 0.99 -0.85 0.00 0.00 174.74 173.54 2cag s THR 198 N -3.10 4.92 0.38 1.30 2.01 -1.26 -4.61 115.64 115.27 2cag s THR 198 Ca 0.63 1.81 0.02 0.00 0.31 0.00 0.00 61.69 64.46 2cag s THR 198 Cb -0.16 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2cag s THR 198 CO 0.55 0.15 0.16 -1.22 -0.69 0.00 0.00 174.62 173.57 2cag n TYR 199 N 4.16 -0.07 -4.29 4.92 4.02 -0.62 -4.04 117.16 121.23 2cag n TYR 199 Ca 0.04 -1.73 -0.22 0.00 -0.01 0.00 0.00 57.90 55.98 2cag n TYR 199 Cb 0.51 -0.28 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 2cag n TYR 199 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2cag s SER 200 N -3.17 2.46 0.06 7.72 1.04 0.50 -0.74 113.70 121.57 2cag s SER 200 Ca 0.12 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 55.83 2cag s SER 200 Cb -0.01 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2cag s SER 200 CO 0.08 -0.02 -0.06 -0.36 0.98 0.00 0.00 173.24 173.86 2cag s PHE 201 N -1.67 2.87 -0.06 5.02 0.08 0.53 -0.45 117.98 124.31 2cag s PHE 201 Ca 0.10 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.09 2cag s PHE 201 Cb -0.08 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2cag s PHE 201 CO 0.05 0.42 -0.05 0.42 -0.10 0.00 0.00 175.22 175.96 2cag s ILE 202 N -1.15 0.62 0.48 0.64 -1.09 0.01 -0.14 121.20 120.57 2cag s ILE 202 Ca 0.21 -0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.55 2cag s ILE 202 Cb -0.11 -0.65 0.03 0.00 -1.58 0.00 0.00 42.46 40.15 2cag s ILE 202 CO 0.12 0.26 0.66 0.54 -1.23 0.00 0.00 174.94 175.29 2cag s ASN 203 N 1.10 5.46 0.62 3.58 4.22 -1.01 -0.44 114.94 128.46 2cag s ASN 203 Ca -0.08 -0.43 0.33 0.00 -2.14 0.00 0.00 52.86 50.54 2cag s ASN 203 Cb -0.14 -0.50 1.89 0.00 1.28 0.00 0.00 41.25 43.79 2cag s ASN 203 CO -0.01 -0.96 2.19 0.07 -2.04 0.00 0.00 177.10 176.35 2cag h LYS 204 N 0.43 0.00 -0.61 3.55 2.10 -1.87 -1.08 116.57 119.10 2cag h LYS 204 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2cag h LYS 204 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2cag h LYS 204 CO 0.45 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.65 2cag n ASP 205 N -3.54 3.48 -2.24 7.07 8.00 -1.26 -4.94 116.55 123.12 2cag n ASP 205 Ca -0.01 -2.12 -0.13 0.00 0.71 0.00 0.00 54.79 53.24 2cag n ASP 205 Cb 0.20 -0.44 0.05 0.00 -0.02 0.00 0.00 41.12 40.90 2cag n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cag n ASN 206 N 1.14 -4.19 -4.41 -2.24 5.03 -0.41 -5.02 115.26 105.17 2cag n ASN 206 Ca 0.21 -0.31 -0.34 0.00 0.87 0.00 0.00 54.58 55.01 2cag n ASN 206 Cb 0.59 -3.04 -0.13 0.00 -1.02 0.00 0.00 39.78 36.18 2cag n ASN 206 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2cag s GLU 207 N -5.63 3.53 0.01 3.52 2.02 -1.26 -4.76 118.70 116.13 2cag s GLU 207 Ca 0.29 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 2cag s GLU 207 Cb -0.13 -2.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 2cag s GLU 207 CO 0.41 0.06 0.53 0.50 0.02 0.00 0.00 175.26 176.78 2cag s ARG 208 N 0.82 4.20 0.06 1.61 3.52 -1.26 -2.41 118.95 125.50 2cag s ARG 208 Ca -0.01 0.63 0.09 0.00 -0.13 0.00 0.00 55.73 56.31 2cag s ARG 208 Cb -0.15 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2cag s ARG 208 CO 0.02 0.49 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.68 2cag s PHE 209 N -0.56 2.34 0.02 5.12 0.40 0.80 -2.73 117.98 123.37 2cag s PHE 209 Ca 0.28 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.02 2cag s PHE 209 Cb -0.18 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.92 2cag s PHE 209 CO 0.16 0.18 0.57 -1.58 0.70 0.00 0.00 175.22 175.25 2cag s TRP 210 N -0.87 3.73 0.08 0.36 0.23 0.23 -0.35 118.94 122.36 2cag s TRP 210 Ca 0.12 1.21 -0.06 0.00 -2.03 0.00 0.00 56.10 55.34 2cag s TRP 210 Cb -0.10 -2.55 -0.02 0.00 0.03 0.00 0.00 33.47 30.84 2cag s TRP 210 CO 0.03 0.46 0.12 0.54 0.96 0.00 0.00 176.95 179.05 2cag s VAL 211 N -0.58 0.16 0.00 4.03 0.11 0.08 -0.36 120.40 123.85 2cag s VAL 211 Ca 0.30 -1.42 -0.00 0.00 -2.93 0.00 0.00 61.98 57.92 2cag s VAL 211 Cb -0.19 -1.44 -0.00 0.00 -1.53 0.00 0.00 36.38 33.22 2cag s VAL 211 CO 0.17 -0.75 0.00 -0.54 -3.33 0.00 0.00 175.10 170.66 2cag s LYS 212 N -3.89 0.06 -0.15 1.54 1.02 -0.91 -1.59 119.74 115.82 2cag s LYS 212 Ca 0.07 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.91 2cag s LYS 212 Cb 0.06 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 2cag s LYS 212 CO -0.10 -0.01 0.01 -0.06 -0.92 0.00 0.00 175.35 174.28 2cag s PHE 213 N -0.26 3.16 -0.08 3.18 0.08 -1.26 -2.60 117.98 120.20 2cag s PHE 213 Ca -0.03 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.03 2cag s PHE 213 Cb -0.02 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2cag s PHE 213 CO -0.00 0.18 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.11 2cag s HIS 214 N 0.04 1.92 -0.37 0.36 3.76 0.14 -1.47 115.29 119.67 2cag s HIS 214 Ca 0.03 -0.74 -0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2cag s HIS 214 Cb -0.13 -1.33 0.09 0.00 1.11 0.00 0.00 32.58 32.32 2cag s HIS 214 CO 0.02 -0.33 0.13 -0.06 -0.85 0.00 0.00 174.74 173.65 2cag s PHE 215 N 0.49 3.49 0.31 1.40 0.40 0.40 -0.72 117.98 123.75 2cag s PHE 215 Ca -0.16 -2.24 -0.18 0.00 -0.60 0.00 0.00 56.93 53.75 2cag s PHE 215 Cb -0.16 -2.85 -0.09 0.00 0.51 0.00 0.00 43.02 40.43 2cag s PHE 215 CO 0.06 -0.91 0.78 1.03 0.70 0.00 0.00 175.22 176.88 2cag s ARG 216 N 1.17 4.14 -0.31 0.44 0.52 0.21 -1.52 118.95 123.61 2cag s ARG 216 Ca 0.04 0.83 -0.10 0.00 -0.52 0.00 0.00 55.73 55.98 2cag s ARG 216 Cb -0.22 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 2cag s ARG 216 CO -0.03 0.20 0.17 0.00 0.02 0.00 0.00 175.30 175.66 2cag n GLN 218 N 5.02 0.91 -0.00 0.00 1.13 -1.11 -2.26 117.38 121.07 2cag n GLN 218 Ca -0.14 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.00 2cag n GLN 218 Cb 0.50 -1.28 -0.10 0.00 0.11 0.00 0.00 30.24 29.48 2cag n GLN 218 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2cag n GLN 219 N -0.78 1.48 0.00 -1.09 3.00 -1.26 -4.95 117.38 113.79 2cag n GLN 219 Ca 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2cag n GLN 219 Cb 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.01 2cag n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cag n GLY 220 N 1.40 0.24 3.16 1.08 0.00 -0.96 -4.91 105.19 105.20 2cag n GLY 220 Ca 0.03 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2cag n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cag s ILE 221 N 0.00 -0.26 -0.04 -0.61 -1.09 -1.26 -4.23 121.20 113.70 2cag s ILE 221 Ca 0.00 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2cag s ILE 221 Cb 0.00 -0.53 0.03 0.00 -1.58 0.00 0.00 42.46 40.38 2cag s ILE 221 CO 0.00 0.07 0.09 -0.54 -1.23 0.00 0.00 174.94 173.33 2cag s LYS 222 N 1.88 0.02 0.32 2.79 1.02 -1.22 -5.05 119.74 119.50 2cag s LYS 222 Ca -0.05 0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.30 2cag s LYS 222 Cb -0.10 -0.24 -0.06 0.00 -0.52 0.00 0.00 37.83 36.91 2cag s LYS 222 CO -0.11 -0.18 -0.03 -0.80 -0.92 0.00 0.00 175.35 173.31 2cag s ASN 223 N 1.25 3.04 -0.08 2.83 0.01 -1.26 -0.07 114.94 120.66 2cag s ASN 223 Ca -0.08 -1.26 0.02 0.00 -0.71 0.00 0.00 52.86 50.84 2cag s ASN 223 Cb -0.12 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 2cag s ASN 223 CO -0.04 -0.39 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.25 2cag s LEU 224 N -3.53 2.67 0.46 0.60 1.43 0.38 -4.59 118.68 116.11 2cag s LEU 224 Ca 0.32 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 2cag s LEU 224 Cb 0.06 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 2cag s LEU 224 CO 0.14 0.27 1.05 -0.04 0.23 0.00 0.00 176.35 178.00 2cag s MET 225 N -0.28 3.90 0.35 1.70 -1.94 -1.26 -4.76 119.30 117.01 2cag s MET 225 Ca 0.02 1.42 0.12 0.00 -1.71 0.00 0.00 55.69 55.54 2cag s MET 225 Cb -0.13 -2.23 0.92 0.00 2.01 0.00 0.00 34.83 35.40 2cag s MET 225 CO 0.03 -0.35 1.77 -0.44 -0.01 0.00 0.00 175.02 176.02 2cag h ASP 226 N 1.85 0.62 -0.31 3.03 3.32 -1.98 0.10 116.42 123.05 2cag h ASP 226 Ca -0.49 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 2cag h ASP 226 Cb 1.22 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2cag h ASP 226 CO 0.60 0.16 -0.02 0.44 -1.72 0.00 0.00 179.24 178.70 2cag h ASP 227 N 0.57 0.56 -0.43 6.45 3.32 -2.00 -1.19 116.42 123.70 2cag h ASP 227 Ca 0.59 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2cag h ASP 227 Cb 1.20 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2cag h ASP 227 CO -0.36 0.75 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.56 2cag h GLU 228 N 0.35 0.84 0.63 3.56 5.08 -1.20 -1.41 114.58 122.42 2cag h GLU 228 Ca 0.09 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2cag h GLU 228 Cb 0.48 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2cag h GLU 228 CO 0.02 0.85 -0.30 0.00 -1.00 0.00 0.00 179.01 178.58 2cag h ALA 229 N 1.20 -0.85 -0.80 3.43 0.00 -1.22 0.38 119.26 121.40 2cag h ALA 229 Ca 0.15 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2cag h ALA 229 Cb 0.49 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2cag h ALA 229 CO 0.02 -0.92 0.25 0.93 0.00 0.00 0.00 179.25 179.53 2cag h GLU 230 N -0.96 0.30 -0.21 0.00 5.08 -0.42 0.36 114.58 118.73 2cag h GLU 230 Ca -0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2cag h GLU 230 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2cag h GLU 230 CO 0.14 0.20 0.05 0.00 -1.00 0.00 0.00 179.01 178.40 2cag h ALA 231 N 1.66 0.27 -0.65 3.43 0.00 -1.13 0.24 119.26 123.09 2cag h ALA 231 Ca 0.47 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2cag h ALA 231 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2cag h ALA 231 CO -0.53 -0.08 0.21 1.25 0.00 0.00 0.00 179.25 180.10 2cag h LEU 232 N 0.15 0.94 -0.53 0.00 5.85 0.23 -2.05 115.31 119.90 2cag h LEU 232 Ca 0.07 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2cag h LEU 232 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2cag h LEU 232 CO 0.00 0.89 -0.12 0.58 -0.34 0.00 0.00 178.44 179.45 2cag h VAL 233 N 0.93 1.27 -0.70 1.05 2.07 -0.08 0.69 116.25 121.48 2cag h VAL 233 Ca 0.21 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.51 2cag h VAL 233 Cb 0.29 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2cag h VAL 233 CO -0.01 0.45 0.46 1.23 0.02 0.00 0.00 177.57 179.72 2cag h GLY 234 N 0.88 0.92 1.11 2.17 0.00 -0.33 -2.58 103.07 105.23 2cag h GLY 234 Ca 0.13 -0.29 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 2cag h GLY 234 CO 0.05 0.22 -1.63 0.50 0.00 0.00 0.00 176.54 175.69 2cag h LYS 235 N 0.74 0.07 -1.99 4.80 1.57 -0.66 -3.47 116.57 117.63 2cag h LYS 235 Ca 0.30 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 2cag h LYS 235 Cb 0.24 0.05 -0.28 0.00 0.08 0.00 0.00 32.23 32.32 2cag h LYS 235 CO -0.10 0.75 -0.41 0.34 -0.57 0.00 0.00 179.45 179.47 2cag s ASP 236 N -6.44 -0.13 0.00 0.86 2.15 0.23 -4.97 116.67 108.37 2cag s ASP 236 Ca -0.07 0.57 0.19 0.00 0.43 0.00 0.00 52.55 53.67 2cag s ASP 236 Cb 0.08 1.34 1.06 0.00 -0.30 0.00 0.00 42.92 45.09 2cag s ASP 236 CO 0.82 -0.27 1.54 0.54 -0.17 0.00 0.00 175.17 177.63 2cag n ARG 237 N 5.38 0.47 -1.83 4.34 3.00 -1.25 -3.66 116.66 123.12 2cag n ARG 237 Ca -0.05 0.04 -0.17 0.00 -0.01 0.00 0.00 57.85 57.66 2cag n ARG 237 Cb 0.50 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.51 2cag n ARG 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2cag n GLU 238 N -1.11 3.08 0.06 5.56 -0.58 -1.26 -1.98 120.64 124.42 2cag n GLU 238 Ca 0.12 -3.94 -0.09 0.00 -0.42 0.00 0.00 57.16 52.83 2cag n GLU 238 Cb 0.09 -2.08 -0.05 0.00 -0.57 0.00 0.00 31.44 28.83 2cag n GLU 238 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2cag h SER 239 N 1.99 -0.84 -0.21 1.62 0.02 -1.93 -0.79 113.55 113.41 2cag h SER 239 Ca 0.26 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 2cag h SER 239 Cb 1.44 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 2cag h SER 239 CO 0.58 -0.30 0.08 0.28 -1.14 0.00 0.00 176.83 176.33 2cag h SER 240 N -0.41 0.35 -0.10 3.07 0.02 -1.88 -0.78 113.55 113.83 2cag h SER 240 Ca -0.01 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2cag h SER 240 Cb 0.40 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2cag h SER 240 CO -0.15 0.35 -0.24 -0.61 -1.14 0.00 0.00 176.83 175.05 2cag h GLN 241 N 0.39 0.33 -0.51 3.45 5.75 -1.90 -1.05 115.11 121.57 2cag h GLN 241 Ca 0.10 -0.23 0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2cag h GLN 241 Cb 0.14 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 2cag h GLN 241 CO -0.01 0.84 0.19 -0.09 -2.65 0.00 0.00 178.83 177.11 2cag h ARG 242 N -0.12 0.36 -0.06 1.69 2.43 -0.65 -1.99 114.38 116.03 2cag h ARG 242 Ca -0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2cag h ARG 242 Cb 0.84 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2cag h ARG 242 CO 0.05 0.24 -0.06 0.22 -1.51 0.00 0.00 179.97 178.90 2cag h ASP 243 N 0.37 -0.19 -0.38 -3.80 3.58 -1.09 -1.82 116.42 113.09 2cag h ASP 243 Ca 0.25 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 2cag h ASP 243 Cb 0.27 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2cag h ASP 243 CO -0.25 -0.09 -0.19 0.25 -2.88 0.00 0.00 179.24 176.08 2cag h LEU 244 N -0.08 0.88 -0.10 2.28 6.46 -0.91 -0.88 115.31 122.96 2cag h LEU 244 Ca 0.05 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 2cag h LEU 244 Cb 0.15 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2cag h LEU 244 CO -0.11 1.05 -0.07 0.15 -0.62 0.00 0.00 178.44 178.84 2cag h PHE 245 N 0.76 0.26 -0.17 1.25 3.04 -1.30 -1.99 116.94 118.78 2cag h PHE 245 Ca 0.11 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 2cag h PHE 245 Cb 0.73 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 2cag h PHE 245 CO 0.04 0.62 -0.01 0.93 -2.02 0.00 0.00 178.31 177.87 2cag h GLU 246 N -0.18 0.31 -0.25 1.11 5.08 -1.32 0.38 114.58 119.71 2cag h GLU 246 Ca 0.02 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2cag h GLU 246 Cb 0.56 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2cag h GLU 246 CO 0.02 0.54 -0.15 0.00 -1.00 0.00 0.00 179.01 178.42 2cag h ALA 247 N 0.76 0.04 -0.44 3.43 0.00 -1.17 0.47 119.26 122.35 2cag h ALA 247 Ca 0.05 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2cag h ALA 247 Cb 0.41 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2cag h ALA 247 CO 0.01 -0.56 -0.21 0.82 0.00 0.00 0.00 179.25 179.31 2cag h ILE 248 N -0.13 1.27 -0.46 0.00 2.04 -1.23 -0.71 117.51 118.29 2cag h ILE 248 Ca 0.14 -1.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2cag h ILE 248 Cb 0.34 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2cag h ILE 248 CO -0.33 0.46 -0.09 -0.08 0.00 0.00 0.00 178.15 178.11 2cag h GLU 249 N 0.78 0.83 -0.69 2.37 4.57 0.32 -3.08 114.58 119.67 2cag h GLU 249 Ca 0.10 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2cag h GLU 249 Cb 0.76 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2cag h GLU 249 CO 0.06 0.88 0.45 -0.09 -1.18 0.00 0.00 179.01 179.14 2cag h ARG 250 N 0.75 0.91 0.00 1.92 2.43 0.26 -3.47 114.38 117.19 2cag h ARG 250 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2cag h ARG 250 Cb 0.58 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2cag h ARG 250 CO 0.04 0.61 0.00 0.41 -1.51 0.00 0.00 179.97 179.51 2cag n GLY 251 N -1.41 1.03 2.66 2.80 0.00 -0.70 -5.04 105.19 104.53 2cag n GLY 251 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2cag n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cag n ASP 252 N 0.00 6.75 -4.61 1.61 8.00 -0.36 -4.99 116.55 122.95 2cag n ASP 252 Ca 0.00 -3.15 -0.43 0.00 0.71 0.00 0.00 54.79 51.91 2cag n ASP 252 Cb 0.00 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 2cag n ASP 252 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cag n TYR 253 N 2.54 2.12 -2.08 1.24 4.01 -1.26 -4.49 117.16 119.24 2cag n TYR 253 Ca 0.51 -0.18 -0.41 0.00 -0.16 0.00 0.00 57.90 57.67 2cag n TYR 253 Cb 0.30 -2.74 -0.02 0.00 -0.31 0.00 0.00 39.34 36.57 2cag n TYR 253 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2cag s PRO 254 N 5.70 4.32 0.11 -0.72 0.04 -1.24 -4.71 135.00 138.50 2cag s PRO 254 Ca 0.98 2.25 0.10 0.00 0.04 0.00 0.00 61.00 64.36 2cag s PRO 254 Cb -0.41 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2cag s PRO 254 CO 0.39 -0.26 -0.24 1.03 0.04 0.00 0.00 177.00 177.95 2cag s ARG 255 N -1.46 1.60 -0.03 4.56 0.52 -1.26 -0.22 118.95 122.65 2cag s ARG 255 Ca 0.52 -1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 54.45 2cag s ARG 255 Cb -0.40 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.10 2cag s ARG 255 CO 0.51 0.47 0.09 -1.58 0.02 0.00 0.00 175.30 174.81 2cag s TRP 256 N -1.03 -0.09 -0.21 -0.53 0.51 -0.07 -2.75 118.94 114.77 2cag s TRP 256 Ca 0.15 0.24 -0.13 0.00 -2.12 0.00 0.00 56.10 54.23 2cag s TRP 256 Cb -0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 33.47 32.52 2cag s TRP 256 CO 0.06 -0.06 0.28 0.15 -0.51 0.00 0.00 176.95 176.87 2cag s LYS 257 N 0.23 4.16 -0.36 4.98 1.02 0.29 -0.46 119.74 129.60 2cag s LYS 257 Ca -0.02 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 2cag s LYS 257 Cb -0.03 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2cag s LYS 257 CO -0.01 0.07 0.66 -1.17 -0.92 0.00 0.00 175.35 173.99 2cag s LEU 258 N 1.00 4.24 0.09 3.17 2.96 0.18 -0.62 118.68 129.70 2cag s LEU 258 Ca 0.14 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 2cag s LEU 258 Cb -0.14 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 2cag s LEU 258 CO 0.05 -0.62 -0.17 0.00 -1.32 0.00 0.00 176.35 174.29 2cag s GLN 259 N 2.78 0.97 0.27 1.98 -2.07 0.10 -0.41 119.66 123.28 2cag s GLN 259 Ca 0.26 -1.08 0.11 0.00 -1.82 0.00 0.00 55.36 52.82 2cag s GLN 259 Cb -0.14 -1.05 -0.05 0.00 -1.09 0.00 0.00 33.01 30.68 2cag s GLN 259 CO 0.15 0.23 -0.18 0.96 -1.32 0.00 0.00 175.29 175.14 2cag s ILE 260 N -1.38 2.29 -0.08 3.63 -4.36 -0.11 0.27 121.20 121.45 2cag s ILE 260 Ca 0.03 -2.35 0.04 0.00 -0.26 0.00 0.00 60.65 58.11 2cag s ILE 260 Cb -0.09 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2cag s ILE 260 CO 0.03 -0.43 -0.21 -1.10 0.24 0.00 0.00 174.94 173.48 2cag s GLN 261 N -3.55 2.54 -0.02 0.37 -0.21 -1.07 0.52 119.66 118.24 2cag s GLN 261 Ca 0.29 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.95 2cag s GLN 261 Cb -0.03 -2.00 -0.00 0.00 1.00 0.00 0.00 33.01 31.98 2cag s GLN 261 CO 0.13 0.18 -0.10 -1.50 -2.12 0.00 0.00 175.29 171.89 2cag s ILE 262 N 0.31 0.79 -0.11 1.08 2.07 -1.26 -2.13 121.20 121.96 2cag s ILE 262 Ca -0.14 -0.39 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 2cag s ILE 262 Cb -0.16 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.77 2cag s ILE 262 CO 0.06 0.24 -0.05 -0.32 -1.91 0.00 0.00 174.94 172.97 2cag s MET 263 N 0.02 1.21 0.38 3.50 -2.45 0.52 -4.96 119.30 117.52 2cag s MET 263 Ca -0.00 -0.16 -0.28 0.00 -1.25 0.00 0.00 55.69 54.00 2cag s MET 263 Cb -0.07 -1.44 -0.11 0.00 1.25 0.00 0.00 34.83 34.46 2cag s MET 263 CO 0.00 -0.30 1.42 -2.30 1.05 0.00 0.00 175.02 174.89 2cag n PRO 264 N 5.00 2.46 -0.31 4.11 -0.02 -1.26 0.76 135.00 145.74 2cag n PRO 264 Ca -0.11 0.86 0.05 0.00 -2.02 0.00 0.00 63.50 62.29 2cag n PRO 264 Cb 0.50 -2.56 0.12 0.00 -0.02 0.00 0.00 33.50 31.54 2cag n PRO 264 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2cag n GLU 265 N 0.40 -0.08 -0.16 -0.52 2.13 -1.10 -0.31 120.64 121.00 2cag n GLU 265 Ca 0.03 1.33 -0.01 0.00 0.66 0.00 0.00 57.16 59.17 2cag n GLU 265 Cb 0.38 -1.98 0.24 0.00 0.27 0.00 0.00 31.44 30.35 2cag n GLU 265 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2cag h LYS 266 N 0.00 0.88 -0.03 5.31 1.57 -1.89 -2.60 116.57 119.82 2cag h LYS 266 Ca 0.41 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2cag h LYS 266 Cb 0.62 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2cag h LYS 266 CO -0.88 0.67 0.04 0.93 -0.57 0.00 0.00 179.45 179.64 2cag h GLU 267 N 0.89 0.00 -0.07 3.15 5.08 -1.00 -1.90 114.58 120.73 2cag h GLU 267 Ca 0.22 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2cag h GLU 267 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2cag h GLU 267 CO -0.03 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.30 2cag h ALA 268 N 1.94 1.45 0.00 3.43 0.00 -1.57 0.18 119.26 124.69 2cag h ALA 268 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cag h ALA 268 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2cag h ALA 268 CO -0.00 -0.36 -0.99 0.43 0.00 0.00 0.00 179.25 178.33 2cag n SER 269 N -3.06 0.63 0.09 0.00 7.64 -0.71 -4.23 113.62 113.97 2cag n SER 269 Ca -0.01 -0.08 0.12 0.00 1.01 0.00 0.00 58.87 59.91 2cag n SER 269 Cb 0.40 0.69 0.02 0.00 -1.01 0.00 0.00 64.21 64.31 2cag n SER 269 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2cag n THR 270 N -2.08 0.54 -3.56 0.44 -1.04 0.60 -4.93 114.28 104.26 2cag n THR 270 Ca 0.02 -0.49 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 2cag n THR 270 Cb 0.45 -0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.64 2cag n THR 270 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2cag s VAL 271 N -3.33 5.26 -0.77 12.58 0.11 -1.08 -4.98 120.40 128.19 2cag s VAL 271 Ca 0.01 0.60 0.21 0.00 -2.93 0.00 0.00 61.98 59.87 2cag s VAL 271 Cb 0.11 -3.63 0.20 0.00 -1.53 0.00 0.00 36.38 31.52 2cag s VAL 271 CO 0.78 0.46 1.65 -0.81 -3.33 0.00 0.00 175.10 173.85 2cag n PRO 272 N 2.97 0.10 -4.33 1.54 -0.04 -1.26 -4.70 135.00 129.29 2cag n PRO 272 Ca -0.13 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 2cag n PRO 272 Cb 0.52 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 2cag n PRO 272 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cag s TYR 273 N -3.13 2.96 -0.22 0.54 -0.85 -1.26 -5.07 117.35 110.32 2cag s TYR 273 Ca 0.07 -0.00 -0.32 0.00 -0.52 0.00 0.00 57.07 56.30 2cag s TYR 273 Cb 0.11 -1.61 -0.09 0.00 0.38 0.00 0.00 41.96 40.75 2cag s TYR 273 CO 0.38 0.43 2.12 -1.71 -1.52 0.00 0.00 175.55 175.25 2cag n ASN 274 N 1.28 2.95 0.27 -0.18 2.85 -1.26 -4.82 115.26 116.34 2cag n ASN 274 Ca -0.14 0.49 0.18 0.00 -0.11 0.00 0.00 54.58 55.00 2cag n ASN 274 Cb 0.52 -1.41 0.82 0.00 1.24 0.00 0.00 39.78 40.95 2cag n ASN 274 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2cag h PRO 275 N 12.54 0.00 -0.89 1.20 0.13 -1.90 -2.89 132.00 140.20 2cag h PRO 275 Ca -0.38 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.19 2cag h PRO 275 Cb 1.28 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.12 2cag h PRO 275 CO 0.98 0.00 0.50 1.19 -0.23 0.00 0.00 178.00 180.44 2cag n PHE 276 N -2.89 2.87 -3.82 1.56 3.72 -1.26 -4.80 117.46 112.85 2cag n PHE 276 Ca -0.00 -2.43 -0.36 0.00 -0.05 0.00 0.00 57.45 54.60 2cag n PHE 276 Cb 0.20 -1.07 -0.13 0.00 -0.94 0.00 0.00 39.48 37.54 2cag n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2cag s ASP 277 N -1.97 4.82 0.53 4.37 -1.08 -1.09 -4.58 116.67 117.65 2cag s ASP 277 Ca 0.59 -0.50 0.19 0.00 -0.52 0.00 0.00 52.55 52.31 2cag s ASP 277 Cb 0.48 -1.83 1.33 0.00 -1.46 0.00 0.00 42.92 41.44 2cag s ASP 277 CO 0.03 -0.10 2.11 0.25 0.52 0.00 0.00 175.17 177.98 2cag h LEU 278 N 8.18 0.00 -0.78 -1.34 6.46 -1.92 0.23 115.31 126.13 2cag h LEU 278 Ca -0.36 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2cag h LEU 278 Cb 1.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2cag h LEU 278 CO 0.59 0.00 0.00 0.35 -0.62 0.00 0.00 178.44 178.76 2cag n THR 279 N -4.46 0.12 -4.41 1.05 -2.24 -1.26 -2.24 114.28 100.83 2cag n THR 279 Ca 0.01 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 2cag n THR 279 Cb 0.25 0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 2cag n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cag s LYS 280 N -1.88 1.48 0.31 -0.78 1.02 0.80 -4.87 119.74 115.82 2cag s LYS 280 Ca 0.33 -1.49 0.10 0.00 0.02 0.00 0.00 55.97 54.93 2cag s LYS 280 Cb 0.17 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 2cag s LYS 280 CO 0.27 0.39 -0.05 0.54 -0.92 0.00 0.00 175.35 175.59 2cag s VAL 281 N -1.61 2.69 -0.44 3.17 0.11 -1.26 -4.78 120.40 118.28 2cag s VAL 281 Ca 0.19 -2.08 -0.17 0.00 -2.93 0.00 0.00 61.98 56.99 2cag s VAL 281 Cb -0.08 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2cag s VAL 281 CO 0.09 -0.27 0.43 0.26 -3.33 0.00 0.00 175.10 172.27 2cag s TRP 282 N -2.49 3.18 -0.14 1.54 0.51 -1.26 -5.05 118.94 115.23 2cag s TRP 282 Ca 0.33 -0.52 -0.32 0.00 -2.12 0.00 0.00 56.10 53.47 2cag s TRP 282 Cb -0.02 -2.95 -0.15 0.00 -0.81 0.00 0.00 33.47 29.54 2cag s TRP 282 CO 0.18 -0.73 0.95 -2.30 -0.51 0.00 0.00 176.95 174.54 2cag n PRO 283 N 5.52 0.00 0.19 4.98 -0.02 -1.26 -4.81 135.00 139.60 2cag n PRO 283 Ca -0.09 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.43 2cag n PRO 283 Cb 0.46 -1.13 0.37 0.00 -0.02 0.00 0.00 33.50 33.19 2cag n PRO 283 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2cag h HIS 284 N 2.81 0.00 -0.58 6.00 3.86 -1.97 0.41 115.15 125.67 2cag h HIS 284 Ca -0.36 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2cag h HIS 284 Cb 1.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 2cag h HIS 284 CO 0.45 0.37 0.36 0.00 0.86 0.00 0.00 177.93 179.97 2cag h ALA 285 N 1.63 0.74 0.20 2.45 0.00 -2.00 -2.69 119.26 119.60 2cag h ALA 285 Ca -0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 2cag h ALA 285 Cb 0.69 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2cag h ALA 285 CO 0.05 0.21 -1.45 -0.44 0.00 0.00 0.00 179.25 177.62 2cag h ASP 286 N 0.78 0.68 -3.14 0.00 3.32 -1.54 -3.41 116.42 113.11 2cag h ASP 286 Ca 0.21 -0.76 -0.59 0.00 0.02 0.00 0.00 57.03 55.91 2cag h ASP 286 Cb -0.03 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 38.90 2cag h ASP 286 CO -0.04 1.60 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.00 2cag s TYR 287 N -2.62 1.51 0.59 4.55 2.02 -0.01 -5.10 117.35 118.30 2cag s TYR 287 Ca -0.08 -1.88 -0.15 0.00 -0.37 0.00 0.00 57.07 54.58 2cag s TYR 287 Cb 0.05 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2cag s TYR 287 CO 0.91 -0.83 1.04 -1.25 -1.57 0.00 0.00 175.55 173.85 2cag s PRO 288 N 1.12 3.41 0.08 -1.71 0.04 -1.02 -4.21 135.00 132.71 2cag s PRO 288 Ca 0.14 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2cag s PRO 288 Cb -0.21 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2cag s PRO 288 CO -0.12 -0.73 1.12 -0.51 0.04 0.00 0.00 177.00 176.80 2cag s LEU 289 N -4.59 4.40 -0.02 -3.56 1.43 -1.26 -4.47 118.68 110.61 2cag s LEU 289 Ca 0.61 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.73 2cag s LEU 289 Cb -0.14 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2cag s LEU 289 CO 0.39 -0.35 -0.19 -0.04 0.23 0.00 0.00 176.35 176.39 2cag s MET 290 N 0.64 2.26 0.13 1.70 -1.94 0.19 -4.92 119.30 117.36 2cag s MET 290 Ca 0.55 -0.85 -0.21 0.00 -1.71 0.00 0.00 55.69 53.47 2cag s MET 290 Cb -0.28 -2.22 -0.07 0.00 2.01 0.00 0.00 34.83 34.27 2cag s MET 290 CO 0.30 0.58 0.66 -0.51 -0.01 0.00 0.00 175.02 176.05 2cag s ASP 291 N -0.88 7.17 -0.08 3.03 1.01 -1.26 -0.93 116.67 124.72 2cag s ASP 291 Ca 0.12 1.41 -0.04 0.00 0.71 0.00 0.00 52.55 54.75 2cag s ASP 291 Cb -0.10 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2cag s ASP 291 CO 0.01 0.21 -0.10 0.52 0.21 0.00 0.00 175.17 176.02 2cag n VAL 292 N 1.49 0.43 -2.99 -1.27 0.31 0.46 -4.53 118.33 112.23 2cag n VAL 292 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2cag n VAL 292 Cb 0.50 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2cag n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cag n GLY 293 N 2.52 -0.56 3.23 2.92 0.00 -1.17 0.10 105.19 112.24 2cag n GLY 293 Ca -0.16 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 2cag n GLY 293 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2cag s TYR 294 N -3.01 0.24 0.09 1.61 1.13 -0.83 0.48 117.35 117.07 2cag s TYR 294 Ca 0.00 -0.66 0.06 0.00 -1.41 0.00 0.00 57.07 55.06 2cag s TYR 294 Cb 0.00 -0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.75 2cag s TYR 294 CO 0.00 -0.58 -0.17 -0.59 -2.51 0.00 0.00 175.55 171.70 2cag s PHE 295 N -3.89 1.44 -0.02 -3.49 -0.12 0.39 -0.65 117.98 111.63 2cag s PHE 295 Ca 0.08 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 2cag s PHE 295 Cb 0.05 -0.80 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2cag s PHE 295 CO -0.08 0.12 -0.14 -2.00 -0.05 0.00 0.00 175.22 173.07 2cag s GLU 296 N -1.86 1.32 -0.19 1.99 2.12 -0.17 -0.89 118.70 121.02 2cag s GLU 296 Ca 0.02 -0.50 -0.15 0.00 0.36 0.00 0.00 54.97 54.69 2cag s GLU 296 Cb -0.10 -1.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 2cag s GLU 296 CO 0.03 0.25 0.38 -0.51 -0.54 0.00 0.00 175.26 174.86 2cag s LEU 297 N -0.10 4.17 0.00 2.70 1.02 0.69 -0.74 118.68 126.42 2cag s LEU 297 Ca 0.01 0.50 0.00 0.00 0.02 0.00 0.00 54.13 54.66 2cag s LEU 297 Cb -0.08 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.65 2cag s LEU 297 CO 0.00 -0.04 0.13 -0.46 0.02 0.00 0.00 176.35 176.00 2cag n ASN 298 N 4.32 0.00 -3.68 2.29 0.23 -0.37 -3.63 115.26 114.42 2cag n ASN 298 Ca -0.09 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.78 2cag n ASN 298 Cb 0.51 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.04 2cag n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2cag s ARG 299 N 0.00 -0.03 0.32 -3.83 3.52 -0.49 -5.00 118.95 113.43 2cag s ARG 299 Ca 0.00 0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 2cag s ARG 299 Cb 0.00 -0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 32.90 2cag s ARG 299 CO 0.00 -0.30 1.13 -0.80 -0.81 0.00 0.00 175.30 174.52 2cag s ASN 300 N 2.04 7.04 0.28 -2.12 0.02 -1.26 -0.53 114.94 120.40 2cag s ASN 300 Ca 0.02 2.31 -0.30 0.00 -1.02 0.00 0.00 52.86 53.87 2cag s ASN 300 Cb -0.12 -2.62 -0.12 0.00 0.02 0.00 0.00 41.25 38.41 2cag s ASN 300 CO -0.04 -0.31 1.62 -0.81 0.02 0.00 0.00 177.10 177.58 2cag n PRO 301 N 0.83 2.70 -0.15 -0.60 -0.04 -1.26 -4.86 135.00 131.61 2cag n PRO 301 Ca 0.00 0.96 -0.08 0.00 -0.04 0.00 0.00 63.50 64.35 2cag n PRO 301 Cb 0.45 -2.75 0.01 0.00 -0.04 0.00 0.00 33.50 31.17 2cag n PRO 301 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cag h ASP 302 N 5.13 0.55 -3.21 3.54 3.32 -2.00 -3.43 116.42 120.33 2cag h ASP 302 Ca -0.46 -0.06 -0.56 0.00 0.02 0.00 0.00 57.03 55.97 2cag h ASP 302 Cb 1.22 -0.14 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 2cag h ASP 302 CO 0.82 0.45 -0.81 0.21 -1.72 0.00 0.00 179.24 178.19 2cag s ASN 303 N -5.69 2.56 0.16 6.45 3.84 -1.26 -5.03 114.94 115.96 2cag s ASN 303 Ca -0.13 -0.47 -0.11 0.00 0.21 0.00 0.00 52.86 52.36 2cag s ASN 303 Cb 0.11 -1.00 0.02 0.00 -0.55 0.00 0.00 41.25 39.84 2cag s ASN 303 CO 0.74 -0.11 1.58 0.22 -2.79 0.00 0.00 177.10 176.74 2cag h TYR 304 N 8.11 1.08 0.13 0.43 5.03 -1.98 -1.33 116.97 128.43 2cag h TYR 304 Ca -0.31 -0.22 -0.01 0.00 2.58 0.00 0.00 58.73 60.77 2cag h TYR 304 Cb 1.13 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.14 2cag h TYR 304 CO 0.47 1.01 -0.06 0.35 -1.32 0.00 0.00 178.16 178.61 2cag h PHE 305 N 0.83 -0.16 0.00 -3.82 3.57 -1.96 -1.50 116.94 113.91 2cag h PHE 305 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2cag h PHE 305 Cb 0.64 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2cag h PHE 305 CO 0.05 0.22 -0.21 0.77 -2.23 0.00 0.00 178.31 176.90 2cag h SER 306 N -0.56 0.00 0.00 0.41 0.02 -1.95 -0.61 113.55 110.86 2cag h SER 306 Ca -0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2cag h SER 306 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2cag h SER 306 CO 0.03 0.21 -1.33 0.47 -1.14 0.00 0.00 176.83 175.07 2cag n ASP 307 N -3.77 1.53 -0.01 3.07 8.00 -0.51 -4.49 116.55 120.37 2cag n ASP 307 Ca -0.02 0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 2cag n ASP 307 Cb 0.32 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2cag n ASP 307 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2cag h VAL 308 N -0.69 0.00 -0.34 2.53 2.07 -1.45 -3.13 116.25 115.24 2cag h VAL 308 Ca -0.23 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2cag h VAL 308 Cb 1.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2cag h VAL 308 CO -0.14 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 177.46 2cag h GLU 309 N -0.63 0.21 0.00 1.57 4.57 -1.24 -0.55 114.58 118.51 2cag h GLU 309 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2cag h GLU 309 Cb 0.04 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2cag h GLU 309 CO 0.01 0.14 0.00 1.04 -1.18 0.00 0.00 179.01 179.02 2cag n GLN 310 N -5.06 0.63 -2.27 1.92 6.02 -0.24 -4.85 117.38 113.52 2cag n GLN 310 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.60 2cag n GLN 310 Cb 0.14 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 2cag n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cag s ALA 311 N -2.00 3.33 -0.15 -1.58 0.00 -0.22 -4.86 121.76 116.28 2cag s ALA 311 Ca 0.27 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 2cag s ALA 311 Cb 0.12 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.88 2cag s ALA 311 CO 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 175.76 175.43 2cag s ALA 312 N -1.26 1.41 0.11 0.00 0.00 -1.26 -5.06 121.76 115.69 2cag s ALA 312 Ca 0.51 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2cag s ALA 312 Cb -0.34 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2cag s ALA 312 CO 0.44 -0.69 0.01 -0.06 0.00 0.00 0.00 175.76 175.45 2cag s PHE 313 N 1.67 2.97 -0.25 0.00 0.40 -1.26 -4.95 117.98 116.56 2cag s PHE 313 Ca 0.02 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 2cag s PHE 313 Cb -0.15 -1.51 0.07 0.00 0.51 0.00 0.00 43.02 41.94 2cag s PHE 313 CO -0.08 0.49 0.62 0.45 0.70 0.00 0.00 175.22 177.40 2cag s SER 314 N -2.43 -0.77 0.55 1.36 0.15 -1.26 -4.87 113.70 106.43 2cag s SER 314 Ca 0.26 1.32 0.29 0.00 0.70 0.00 0.00 55.95 58.52 2cag s SER 314 Cb -0.11 1.24 1.46 0.00 -1.71 0.00 0.00 66.02 66.90 2cag s SER 314 CO 0.19 -0.22 1.93 -0.65 1.20 0.00 0.00 173.24 175.68 2cag h PRO 315 N 6.37 0.00 0.00 5.44 0.11 -1.87 0.51 132.00 142.56 2cag h PRO 315 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2cag h PRO 315 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2cag h PRO 315 CO 0.17 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.96 2cag n ALA 316 N -2.56 1.44 -3.04 -0.75 0.00 -1.26 -4.12 120.51 110.21 2cag n ALA 316 Ca 0.12 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 2cag n ALA 316 Cb 0.73 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 2cag n ALA 316 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2cag s ASN 317 N -3.11 7.13 -0.08 0.00 0.02 0.17 -4.95 114.94 114.11 2cag s ASN 317 Ca 0.04 -3.13 -0.00 0.00 -1.02 0.00 0.00 52.86 48.75 2cag s ASN 317 Cb 0.06 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 2cag s ASN 317 CO 0.19 -0.64 -0.05 -0.51 0.02 0.00 0.00 177.10 176.11 2cag s ILE 318 N 0.93 3.88 0.27 0.60 1.10 -1.26 -0.82 121.20 125.90 2cag s ILE 318 Ca 0.40 -0.41 0.06 0.00 -0.51 0.00 0.00 60.65 60.19 2cag s ILE 318 Cb -0.04 -2.61 -0.03 0.00 0.15 0.00 0.00 42.46 39.93 2cag s ILE 318 CO -0.02 0.59 0.31 0.68 -2.11 0.00 0.00 174.94 174.39 2cag s VAL 319 N -0.67 4.62 0.26 4.00 -7.23 -1.26 -4.88 120.40 115.23 2cag s VAL 319 Ca 0.10 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 2cag s VAL 319 Cb -0.12 -3.56 -0.14 0.00 0.56 0.00 0.00 36.38 33.13 2cag s VAL 319 CO 0.02 -0.30 1.28 -2.65 -0.31 0.00 0.00 175.10 173.14 2cag n PRO 320 N -1.36 1.79 0.00 4.82 -0.02 -1.26 -1.94 135.00 137.03 2cag n PRO 320 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2cag n PRO 320 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2cag n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cag n GLY 321 N 1.71 2.01 3.28 -1.23 0.00 -1.26 -3.41 105.19 106.28 2cag n GLY 321 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2cag n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cag s ILE 322 N -2.32 2.09 0.00 -0.61 1.01 -0.82 -0.81 121.20 119.73 2cag s ILE 322 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2cag s ILE 322 Cb 0.00 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2cag s ILE 322 CO 0.00 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.27 2cag n SER 323 N 2.88 0.00 -2.82 3.58 2.88 0.41 -4.38 113.62 116.17 2cag n SER 323 Ca -0.17 -0.87 -0.07 0.00 -1.33 0.00 0.00 58.87 56.43 2cag n SER 323 Cb 0.52 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2cag n SER 323 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2cag n PHE 324 N 0.00 -3.23 -4.04 0.66 3.72 -1.26 -0.37 117.46 112.93 2cag n PHE 324 Ca 0.00 -0.56 -0.09 0.00 -0.05 0.00 0.00 57.45 56.74 2cag n PHE 324 Cb 0.00 -0.23 -0.09 0.00 -0.94 0.00 0.00 39.48 38.22 2cag n PHE 324 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2cag s SER 325 N -2.30 0.20 0.00 4.37 1.04 -1.26 -3.72 113.70 112.03 2cag s SER 325 Ca 0.21 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2cag s SER 325 Cb -0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2cag s SER 325 CO 0.14 -0.78 0.61 -2.65 0.98 0.00 0.00 173.24 171.54 2cag n PRO 326 N -0.12 0.73 -1.56 4.02 -0.02 -1.26 -4.68 135.00 132.11 2cag n PRO 326 Ca -0.08 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.93 2cag n PRO 326 Cb 0.63 -1.11 -0.05 0.00 -0.02 0.00 0.00 33.50 32.95 2cag n PRO 326 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2cag n ASP 327 N -0.30 2.89 -0.32 2.55 -0.08 -1.26 -4.80 116.55 115.22 2cag n ASP 327 Ca 0.00 0.42 0.13 0.00 -1.51 0.00 0.00 54.79 53.83 2cag n ASP 327 Cb 0.06 -1.42 0.35 0.00 2.34 0.00 0.00 41.12 42.46 2cag n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2cag h LYS 328 N 13.04 0.70 -0.16 -0.67 1.57 -1.83 0.21 116.57 129.43 2cag h LYS 328 Ca -0.37 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 2cag h LYS 328 Cb 1.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2cag h LYS 328 CO 0.98 0.46 -0.38 0.52 -0.57 0.00 0.00 179.45 180.47 2cag h MET 329 N 0.72 0.34 -0.34 3.15 2.86 -1.87 -2.04 114.93 117.75 2cag h MET 329 Ca 0.53 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.90 2cag h MET 329 Cb 0.87 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2cag h MET 329 CO -0.30 0.68 -0.24 1.25 1.06 0.00 0.00 176.91 179.36 2cag h LEU 330 N 0.29 0.80 -0.26 1.22 6.46 -1.36 -2.82 115.31 119.65 2cag h LEU 330 Ca 0.03 -0.44 0.06 0.00 -0.12 0.00 0.00 57.88 57.41 2cag h LEU 330 Cb 0.80 -0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.43 2cag h LEU 330 CO 0.06 1.06 -0.36 1.56 -0.62 0.00 0.00 178.44 180.15 2cag h GLN 331 N 0.53 -0.35 -1.00 1.25 1.08 -0.78 -0.85 115.11 115.00 2cag h GLN 331 Ca 0.07 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 2cag h GLN 331 Cb 0.80 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 2cag h GLN 331 CO 0.06 -0.23 0.66 0.78 -0.95 0.00 0.00 178.83 179.15 2cag h GLY 332 N -0.36 1.43 0.95 3.46 0.00 -1.28 -0.64 103.07 106.63 2cag h GLY 332 Ca 0.12 -0.51 0.09 0.00 0.00 0.00 0.00 47.33 47.03 2cag h GLY 332 CO -0.46 0.46 0.47 3.21 0.00 0.00 0.00 176.54 180.23 2cag h ARG 333 N 1.30 0.62 -0.03 4.80 3.08 -0.94 0.44 114.38 123.64 2cag h ARG 333 Ca 0.38 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.40 2cag h ARG 333 Cb -0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2cag h ARG 333 CO -0.11 0.41 0.25 -0.07 -1.07 0.00 0.00 179.97 179.39 2cag h LEU 334 N 0.64 0.00 0.00 3.04 4.07 -0.08 -2.99 115.31 119.98 2cag h LEU 334 Ca 0.33 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.14 2cag h LEU 334 Cb 0.43 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2cag h LEU 334 CO -0.11 0.00 -1.29 0.33 -1.08 0.00 0.00 178.44 176.29 2cag n PHE 335 N -3.02 0.40 -0.06 1.13 7.35 0.15 -4.74 117.46 118.67 2cag n PHE 335 Ca -0.02 0.17 -0.11 0.00 -0.76 0.00 0.00 57.45 56.74 2cag n PHE 335 Cb 0.31 -0.78 -0.05 0.00 0.35 0.00 0.00 39.48 39.31 2cag n PHE 335 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2cag h SER 336 N -1.00 -1.29 -0.42 -2.13 0.87 -1.35 -3.01 113.55 105.23 2cag h SER 336 Ca -0.22 0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2cag h SER 336 Cb 1.07 0.55 -0.06 0.00 -0.44 0.00 0.00 62.40 63.52 2cag h SER 336 CO -0.14 -0.39 0.07 1.88 -0.53 0.00 0.00 176.83 177.73 2cag h TYR 337 N -0.40 0.11 -0.46 2.24 -1.99 -1.82 0.13 116.97 114.79 2cag h TYR 337 Ca 0.11 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 2cag h TYR 337 Cb 0.59 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 2cag h TYR 337 CO -0.53 -0.01 0.16 0.78 -0.00 0.00 0.00 178.16 178.56 2cag h GLY 338 N 0.20 0.76 0.88 3.88 0.00 -1.84 0.16 103.07 107.11 2cag h GLY 338 Ca 0.21 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2cag h GLY 338 CO -0.28 0.41 0.16 -1.80 0.00 0.00 0.00 176.54 175.03 2cag h ASP 339 N 0.60 0.25 -0.57 0.19 3.58 -1.20 -0.28 116.42 118.99 2cag h ASP 339 Ca 0.15 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.64 2cag h ASP 339 Cb 0.25 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 2cag h ASP 339 CO -0.01 0.19 0.33 0.00 -2.88 0.00 0.00 179.24 176.87 2cag h ALA 340 N 1.15 0.74 0.01 -0.78 0.00 -0.16 -2.44 119.26 117.79 2cag h ALA 340 Ca 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2cag h ALA 340 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2cag h ALA 340 CO -0.08 0.04 -0.14 0.45 0.00 0.00 0.00 179.25 179.52 2cag h HIS 341 N 0.65 -0.36 -0.59 0.00 3.86 0.43 0.18 115.15 119.33 2cag h HIS 341 Ca 0.24 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.54 2cag h HIS 341 Cb 0.06 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 2cag h HIS 341 CO -0.07 -0.21 0.26 0.00 0.86 0.00 0.00 177.93 178.77 2cag h ARG 342 N -0.24 0.46 -0.14 2.45 3.08 -0.69 0.55 114.38 119.85 2cag h ARG 342 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2cag h ARG 342 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2cag h ARG 342 CO -0.13 0.30 0.02 -0.92 -1.07 0.00 0.00 179.97 178.17 2cag h TYR 343 N 0.47 0.24 -0.29 3.04 3.20 -0.98 -0.07 116.97 122.59 2cag h TYR 343 Ca 0.28 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 2cag h TYR 343 Cb 0.29 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2cag h TYR 343 CO -0.14 0.41 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.38 2cag h ARG 344 N 0.00 0.62 0.00 1.82 2.43 -0.07 -3.38 114.38 115.80 2cag h ARG 344 Ca 0.04 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2cag h ARG 344 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2cag h ARG 344 CO 0.00 0.86 -0.90 1.28 -1.51 0.00 0.00 179.97 179.71 2cag n LEU 345 N -4.07 0.00 0.00 3.80 4.77 0.13 -4.54 117.00 117.09 2cag n LEU 345 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2cag n LEU 345 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2cag n LEU 345 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2cag n GLY 346 N 2.30 2.47 0.26 -0.72 0.00 -0.04 -4.68 105.19 104.77 2cag n GLY 346 Ca 0.00 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.19 2cag n GLY 346 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2cag h VAL 347 N 0.00 0.47 -0.98 1.61 3.04 -1.89 -2.97 116.25 115.53 2cag h VAL 347 Ca 0.00 -0.65 -0.55 0.00 -1.01 0.00 0.00 66.70 64.49 2cag h VAL 347 Cb 0.00 1.45 -0.30 0.00 -2.01 0.00 0.00 31.29 30.43 2cag h VAL 347 CO 0.00 0.13 0.68 0.59 -1.01 0.00 0.00 177.57 177.95 2cag n ASN 348 N -3.48 4.63 0.00 3.17 3.02 -1.26 -4.57 115.26 116.77 2cag n ASN 348 Ca -0.01 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 2cag n ASN 348 Cb 0.28 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2cag n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cag n HIS 349 N -1.09 0.00 0.26 3.10 1.44 -1.12 -1.43 115.22 116.37 2cag n HIS 349 Ca 0.60 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 56.40 2cag n HIS 349 Cb 1.42 -0.46 0.66 0.00 0.12 0.00 0.00 29.99 31.73 2cag n HIS 349 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2cag h HIS 350 N 0.00 0.00 0.00 -1.40 2.07 -1.87 -2.78 115.15 111.16 2cag h HIS 350 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2cag h HIS 350 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2cag h HIS 350 CO 0.00 0.08 0.00 1.96 -3.07 0.00 0.00 177.93 176.90 2cag h GLN 351 N 0.00 0.00 -6.47 5.12 4.20 -1.58 -3.26 115.11 113.11 2cag h GLN 351 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2cag h GLN 351 Cb 0.15 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.95 2cag h GLN 351 CO 0.01 0.00 0.76 0.42 -0.67 0.00 0.00 178.83 179.35 2cag s ILE 352 N -3.63 3.52 0.22 2.54 1.01 -1.05 -4.90 121.20 118.90 2cag s ILE 352 Ca 0.01 1.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.55 2cag s ILE 352 Cb 0.09 -3.66 0.26 0.00 0.01 0.00 0.00 42.46 39.16 2cag s ILE 352 CO 0.53 0.04 1.39 -2.65 0.00 0.00 0.00 174.94 174.26 2cag n PRO 353 N 4.57 -0.18 0.22 2.79 -0.02 -1.26 -1.41 135.00 139.71 2cag n PRO 353 Ca 0.12 1.38 0.06 0.00 -2.02 0.00 0.00 63.50 63.05 2cag n PRO 353 Cb 0.43 -2.05 0.52 0.00 -0.02 0.00 0.00 33.50 32.37 2cag n PRO 353 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2cag h VAL 354 N 0.00 1.01 -0.02 -1.45 3.04 -1.89 -1.76 116.25 115.17 2cag h VAL 354 Ca 0.34 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2cag h VAL 354 Cb 0.56 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2cag h VAL 354 CO -0.90 0.22 -0.29 0.59 -1.01 0.00 0.00 177.57 176.19 2cag n ASN 355 N -4.05 2.08 -4.81 3.17 3.02 -0.50 -4.94 115.26 109.22 2cag n ASN 355 Ca -0.02 -1.54 -0.34 0.00 -0.03 0.00 0.00 54.58 52.65 2cag n ASN 355 Cb 0.30 0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.67 2cag n ASN 355 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cag s ALA 356 N -2.33 3.19 0.82 5.41 0.00 -0.61 -4.81 121.76 123.43 2cag s ALA 356 Ca 0.23 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2cag s ALA 356 Cb 0.19 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.36 2cag s ALA 356 CO 0.48 0.21 1.18 -1.25 0.00 0.00 0.00 175.76 176.38 2cag s PRO 357 N -2.68 1.86 0.35 0.00 0.04 -1.26 -5.01 135.00 128.29 2cag s PRO 357 Ca 0.55 0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.69 2cag s PRO 357 Cb -0.13 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2cag s PRO 357 CO 0.18 -1.65 0.43 0.21 0.04 0.00 0.00 177.00 176.21 2cag s LYS 358 N -5.58 2.95 1.08 4.56 2.20 -1.26 -5.06 119.74 118.63 2cag s LYS 358 Ca 0.63 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2cag s LYS 358 Cb -0.10 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 2cag s LYS 358 CO 0.49 0.02 0.00 0.00 -0.36 0.00 0.00 175.35 175.50 2cag n PRO 360 N -0.35 0.00 -3.54 0.00 -0.02 -1.26 -4.92 135.00 124.91 2cag n PRO 360 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2cag n PRO 360 Cb 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2cag n PRO 360 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2cag s PHE 361 N 0.00 -0.63 -0.45 6.00 5.36 -1.26 -4.98 117.98 122.02 2cag s PHE 361 Ca 0.00 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 56.97 2cag s PHE 361 Cb 0.00 0.03 0.14 0.00 -0.34 0.00 0.00 43.02 42.85 2cag s PHE 361 CO 0.00 -0.54 0.25 -1.58 -1.46 0.00 0.00 175.22 171.89 2cag s HIS 362 N 2.50 2.05 -0.14 10.12 5.65 -1.26 -5.08 115.29 129.13 2cag s HIS 362 Ca 0.05 -2.48 -0.29 0.00 0.25 0.00 0.00 55.06 52.59 2cag s HIS 362 Cb -0.14 -1.91 -0.02 0.00 -1.18 0.00 0.00 32.58 29.33 2cag s HIS 362 CO -0.12 -0.77 1.37 1.21 -0.65 0.00 0.00 174.74 175.77 2cag s ASN 363 N 0.26 6.86 0.46 9.88 3.04 -1.26 -4.93 114.94 129.25 2cag s ASN 363 Ca 0.18 1.82 0.27 0.00 0.04 0.00 0.00 52.86 55.17 2cag s ASN 363 Cb -0.23 -2.54 0.71 0.00 -1.54 0.00 0.00 41.25 37.66 2cag s ASN 363 CO -0.01 -0.82 1.74 0.22 -3.04 0.00 0.00 177.10 175.19 2cag h TYR 364 N 8.60 0.00 -3.68 0.43 5.03 -1.98 -3.41 116.97 121.96 2cag h TYR 364 Ca -0.30 0.00 -0.52 0.00 2.58 0.00 0.00 58.73 60.50 2cag h TYR 364 Cb 1.12 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.43 2cag h TYR 364 CO 0.82 0.00 0.57 -1.01 -1.32 0.00 0.00 178.16 177.22 2cag s HIS 365 N -3.35 3.35 0.00 -3.82 0.09 -1.26 -4.80 115.29 105.49 2cag s HIS 365 Ca 0.05 1.48 0.00 0.00 -0.00 0.00 0.00 55.06 56.59 2cag s HIS 365 Cb 0.07 -3.48 0.00 0.00 -0.00 0.00 0.00 32.58 29.17 2cag s HIS 365 CO 0.62 -1.27 0.00 0.54 -0.00 0.00 0.00 174.74 174.63 2cag n ARG 366 N 1.61 0.00 -2.93 1.40 1.74 -1.26 -3.74 116.66 113.49 2cag n ARG 366 Ca 0.02 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.66 2cag n ARG 366 Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 2cag n ARG 366 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cag s ASP 367 N -1.00 6.49 0.00 0.55 1.01 -1.26 -4.54 116.67 117.91 2cag s ASP 367 Ca 0.00 -1.75 0.00 0.00 0.71 0.00 0.00 52.55 51.51 2cag s ASP 367 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2cag s ASP 367 CO 0.00 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 174.83 2cag n GLY 368 N 5.43 -1.23 0.13 0.21 0.00 -1.26 -5.00 105.19 103.46 2cag n GLY 368 Ca 0.15 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 2cag n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cag n ALA 369 N -3.00 1.03 -3.86 4.61 0.00 -1.26 -4.31 120.51 113.71 2cag n ALA 369 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 53.44 52.41 2cag n ALA 369 Cb 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 2cag n ALA 369 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2cag s MET 370 N -2.50 2.35 -0.83 0.00 -2.45 -1.26 -4.98 119.30 109.63 2cag s MET 370 Ca -0.29 -3.25 -0.18 0.00 -1.25 0.00 0.00 55.69 50.71 2cag s MET 370 Cb 0.08 -3.28 0.14 0.00 1.25 0.00 0.00 34.83 33.02 2cag s MET 370 CO 0.65 -1.29 0.98 0.50 1.05 0.00 0.00 175.02 176.90 2cag s ARG 371 N -1.34 3.47 0.11 4.11 6.06 -1.26 -4.76 118.95 125.34 2cag s ARG 371 Ca 0.25 -1.74 0.21 0.00 -2.50 0.00 0.00 55.73 51.96 2cag s ARG 371 Cb -0.04 -4.66 -0.11 0.00 0.06 0.00 0.00 34.95 30.20 2cag s ARG 371 CO -0.17 -1.65 0.84 0.28 -2.50 0.00 0.00 175.30 172.11 2cag n VAL 372 N 5.25 0.56 1.47 7.11 0.31 -1.26 -4.58 118.33 127.20 2cag n VAL 372 Ca 0.14 -0.56 0.13 0.00 -0.01 0.00 0.00 64.34 64.03 2cag n VAL 372 Cb 0.47 -0.31 0.51 0.00 -0.91 0.00 0.00 33.84 33.60 2cag n VAL 372 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2cag n ASP 373 N -2.60 1.36 0.00 4.52 5.68 -1.26 -4.90 116.55 119.34 2cag n ASP 373 Ca -0.03 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2cag n ASP 373 Cb 0.61 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2cag n ASP 373 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cag n GLY 374 N 1.13 2.21 2.67 6.12 0.00 -1.26 -5.04 105.19 111.02 2cag n GLY 374 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2cag n GLY 374 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cag n ASN 375 N 0.00 -0.19 0.21 1.61 2.85 -1.26 -4.54 115.26 113.93 2cag n ASN 375 Ca 0.00 0.02 0.09 0.00 -0.11 0.00 0.00 54.58 54.58 2cag n ASN 375 Cb 0.00 -0.07 0.35 0.00 1.24 0.00 0.00 39.78 41.30 2cag n ASN 375 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2cag h SER 376 N -0.02 0.00 0.00 1.20 4.64 -1.80 -3.49 113.55 114.08 2cag h SER 376 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cag h SER 376 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2cag h SER 376 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 2cag n GLY 377 N 0.46 2.04 0.23 -0.77 0.00 -1.26 -4.85 105.19 101.04 2cag n GLY 377 Ca 0.01 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.17 2cag n GLY 377 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cag n ASN 378 N 0.00 1.23 0.00 1.61 3.02 -1.26 -4.91 115.26 114.95 2cag n ASN 378 Ca 0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2cag n ASN 378 Cb 0.00 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2cag n ASN 378 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cag n GLY 379 N 0.88 0.59 3.62 7.41 0.00 -1.26 -5.02 105.19 111.41 2cag n GLY 379 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2cag n GLY 379 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cag s ILE 380 N 0.00 5.07 -0.16 -0.61 1.01 -1.26 -4.89 121.20 120.35 2cag s ILE 380 Ca 0.00 0.90 0.13 0.00 0.00 0.00 0.00 60.65 61.69 2cag s ILE 380 Cb 0.00 -3.83 0.26 0.00 0.01 0.00 0.00 42.46 38.89 2cag s ILE 380 CO 0.00 0.09 1.16 0.35 0.00 0.00 0.00 174.94 176.55 2cag n THR 381 N 5.08 1.67 -4.36 2.92 -2.24 -1.26 -4.83 114.28 111.26 2cag n THR 381 Ca -0.04 -1.81 -0.18 0.00 -2.27 0.00 0.00 64.05 59.75 2cag n THR 381 Cb 0.50 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 2cag n THR 381 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2cag s TYR 382 N -2.28 1.66 -0.28 4.78 1.13 -1.26 -5.07 117.35 116.02 2cag s TYR 382 Ca 0.25 -1.15 -0.18 0.00 -1.41 0.00 0.00 57.07 54.58 2cag s TYR 382 Cb 0.21 -1.00 0.09 0.00 -1.10 0.00 0.00 41.96 40.16 2cag s TYR 382 CO 0.04 -0.27 0.76 -2.00 -2.51 0.00 0.00 175.55 171.57 2cag s GLU 383 N -3.97 0.67 0.48 -3.49 -6.30 -1.26 -4.54 118.70 100.29 2cag s GLU 383 Ca 0.37 1.06 -0.23 0.00 -2.50 0.00 0.00 54.97 53.67 2cag s GLU 383 Cb 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 34.13 34.32 2cag s GLU 383 CO 0.14 -0.12 1.19 -1.25 0.02 0.00 0.00 175.26 175.24 2cag s PRO 384 N 1.28 3.63 0.05 4.30 0.04 -1.26 -5.15 135.00 137.90 2cag s PRO 384 Ca -0.07 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 2cag s PRO 384 Cb -0.05 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 2cag s PRO 384 CO -0.15 -0.67 0.17 0.54 0.04 0.00 0.00 177.00 176.94 2cag s ASN 385 N -1.32 0.09 0.00 6.66 2.20 -1.26 -5.05 114.94 116.26 2cag s ASN 385 Ca 0.65 -0.49 0.30 0.00 -0.94 0.00 0.00 52.86 52.39 2cag s ASN 385 Cb -0.30 0.29 1.53 0.00 -2.00 0.00 0.00 41.25 40.78 2cag s ASN 385 CO 0.36 -0.60 2.03 -1.20 -2.94 0.00 0.00 177.10 174.75 2cag n SER 386 N 0.46 0.33 -0.81 3.54 7.64 -1.26 -3.99 113.62 119.53 2cag n SER 386 Ca -0.18 -0.80 0.12 0.00 1.01 0.00 0.00 58.87 59.03 2cag n SER 386 Cb 0.60 -0.07 0.25 0.00 -1.01 0.00 0.00 64.21 63.98 2cag n SER 386 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cag n GLY 387 N 1.15 0.73 3.25 0.23 0.00 -1.26 -4.96 105.19 104.34 2cag n GLY 387 Ca 0.19 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 2cag n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cag n GLY 388 N 1.30 -0.81 0.03 -0.02 0.00 -1.26 -5.00 105.19 99.43 2cag n GLY 388 Ca 0.16 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.58 2cag n GLY 388 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cag n VAL 389 N -3.50 0.32 -3.28 1.61 3.14 -1.26 -4.79 118.33 110.57 2cag n VAL 389 Ca -0.15 -0.38 -0.25 0.00 -2.96 0.00 0.00 64.34 60.60 2cag n VAL 389 Cb 0.63 -0.14 -0.07 0.00 -1.06 0.00 0.00 33.84 33.20 2cag n VAL 389 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2cag n PHE 390 N -2.14 1.05 -2.48 1.45 3.72 -1.26 -5.06 117.46 112.74 2cag n PHE 390 Ca -0.09 -3.77 -0.43 0.00 -0.05 0.00 0.00 57.45 53.11 2cag n PHE 390 Cb 0.55 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2cag n PHE 390 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2cag s GLN 391 N -1.61 4.10 0.78 -1.08 -1.52 -1.26 -4.98 119.66 114.09 2cag s GLN 391 Ca 0.37 1.39 -0.14 0.00 -1.95 0.00 0.00 55.36 55.03 2cag s GLN 391 Cb 0.16 -3.79 0.07 0.00 -0.22 0.00 0.00 33.01 29.23 2cag s GLN 391 CO -0.08 -0.88 1.19 -1.83 -0.25 0.00 0.00 175.29 173.45 2cag s GLU 392 N 3.73 1.84 -0.80 2.91 -1.05 -1.26 -5.00 118.70 119.08 2cag s GLU 392 Ca 0.53 1.70 0.02 0.00 -0.15 0.00 0.00 54.97 57.07 2cag s GLU 392 Cb -0.18 -1.81 0.21 0.00 -0.44 0.00 0.00 34.13 31.91 2cag s GLU 392 CO 0.17 -2.05 0.69 1.04 0.95 0.00 0.00 175.26 176.06 2cag n GLN 393 N -3.14 2.36 0.24 -4.83 6.02 -1.26 -4.95 117.38 111.81 2cag n GLN 393 Ca 0.13 -4.51 0.16 0.00 -0.01 0.00 0.00 57.00 52.77 2cag n GLN 393 Cb 0.51 -2.35 0.77 0.00 1.02 0.00 0.00 30.24 30.19 2cag n GLN 393 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2cag h PRO 394 N 5.49 0.00 0.00 -1.09 0.11 -2.02 -2.62 132.00 131.88 2cag h PRO 394 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2cag h PRO 394 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2cag h PRO 394 CO 0.81 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 2cag n ASP 395 N -2.72 0.00 -0.61 -2.05 8.00 -1.26 -2.70 116.55 115.22 2cag n ASP 395 Ca -0.00 0.41 0.07 0.00 0.71 0.00 0.00 54.79 55.97 2cag n ASP 395 Cb 0.17 -0.44 0.09 0.00 -0.02 0.00 0.00 41.12 40.92 2cag n ASP 395 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2cag n PHE 396 N -1.44 0.17 -1.08 1.24 3.72 -0.99 -5.04 117.46 114.04 2cag n PHE 396 Ca 0.02 -0.15 -0.34 0.00 -0.05 0.00 0.00 57.45 56.93 2cag n PHE 396 Cb 0.08 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 2cag n PHE 396 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2cag n LYS 397 N 0.75 0.11 -4.43 -1.08 4.81 -1.10 -4.94 118.16 112.28 2cag n LYS 397 Ca 0.10 0.10 -0.24 0.00 -0.87 0.00 0.00 58.31 57.39 2cag n LYS 397 Cb 0.37 -2.18 -0.11 0.00 0.02 0.00 0.00 35.03 33.14 2cag n LYS 397 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2cag s GLU 398 N -3.70 1.55 0.78 1.64 -1.05 -1.26 -5.07 118.70 111.59 2cag s GLU 398 Ca 0.68 -1.63 -0.14 0.00 -0.15 0.00 0.00 54.97 53.73 2cag s GLU 398 Cb -0.29 -1.70 0.07 0.00 -0.44 0.00 0.00 34.13 31.77 2cag s GLU 398 CO 0.56 0.34 1.22 -0.35 0.95 0.00 0.00 175.26 177.97 2cag n PRO 399 N -0.18 0.36 -0.52 -4.83 -0.04 -1.26 -4.98 135.00 123.56 2cag n PRO 399 Ca -0.09 0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2cag n PRO 399 Cb 0.58 -2.45 0.24 0.00 -0.04 0.00 0.00 33.50 31.83 2cag n PRO 399 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2cag n PRO 400 N -3.01 -2.38 -4.73 0.54 -0.02 -1.26 -5.03 135.00 119.11 2cag n PRO 400 Ca 0.14 -0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 60.70 2cag n PRO 400 Cb 0.50 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 2cag n PRO 400 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2cag s LEU 401 N -5.52 1.82 -0.07 2.45 2.96 -1.26 -5.09 118.68 113.97 2cag s LEU 401 Ca 0.65 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 2cag s LEU 401 Cb -0.22 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2cag s LEU 401 CO 0.66 0.10 1.27 -0.44 -1.32 0.00 0.00 176.35 176.62 2cag s SER 402 N 0.30 6.97 -0.06 3.68 0.01 -1.26 -5.01 113.70 118.33 2cag s SER 402 Ca -0.09 1.87 -0.14 0.00 1.31 0.00 0.00 55.95 58.90 2cag s SER 402 Cb -0.13 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2cag s SER 402 CO 0.03 -0.66 0.35 -0.63 0.41 0.00 0.00 173.24 172.73 2cag s ILE 403 N 2.59 5.18 -0.45 1.44 -1.09 -1.26 -5.02 121.20 122.59 2cag s ILE 403 Ca 0.58 0.69 0.09 0.00 -2.23 0.00 0.00 60.65 59.78 2cag s ILE 403 Cb -0.26 -3.65 0.36 0.00 -1.58 0.00 0.00 42.46 37.33 2cag s ILE 403 CO 0.22 0.53 0.87 -0.62 -1.23 0.00 0.00 174.94 174.70 2cag n GLU 404 N 2.35 2.07 0.00 2.79 1.02 -1.26 -5.09 120.64 122.53 2cag n GLU 404 Ca -0.14 -4.04 0.00 0.00 -0.02 0.00 0.00 57.16 52.96 2cag n GLU 404 Cb 0.53 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2cag n GLU 404 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cag n GLY 405 N -0.02 1.50 3.83 0.62 0.00 -1.26 -5.14 105.19 104.71 2cag n GLY 405 Ca 0.27 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2cag n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cag s ALA 406 N -2.00 2.38 -0.27 4.61 0.00 -1.26 -4.99 121.76 120.23 2cag s ALA 406 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2cag s ALA 406 Cb 0.00 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 2cag s ALA 406 CO 0.00 -1.64 1.34 0.00 0.00 0.00 0.00 175.76 175.46 2cag s ALA 407 N -3.25 3.39 0.21 0.00 0.00 -1.26 -4.98 121.76 115.86 2cag s ALA 407 Ca 0.61 0.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 2cag s ALA 407 Cb -0.13 -3.77 0.04 0.00 0.00 0.00 0.00 23.12 19.26 2cag s ALA 407 CO 0.53 -1.73 0.80 0.34 0.00 0.00 0.00 175.76 175.71 2cag s ASP 408 N 2.90 -0.26 -0.92 0.00 2.15 -1.26 -5.05 116.67 114.23 2cag s ASP 408 Ca 0.58 -0.45 -0.24 0.00 0.43 0.00 0.00 52.55 52.87 2cag s ASP 408 Cb -0.18 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 2cag s ASP 408 CO 0.23 -1.12 1.60 -1.00 -0.17 0.00 0.00 175.17 174.72 2cag s HIS 409 N -3.64 2.22 -0.14 -5.34 3.76 -1.26 -4.93 115.29 105.97 2cag s HIS 409 Ca 0.10 -0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.56 2cag s HIS 409 Cb -0.04 -4.45 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 2cag s HIS 409 CO 0.03 -1.93 0.88 -1.58 -0.85 0.00 0.00 174.74 171.28 2cag s TRP 410 N 6.87 3.47 -0.20 1.40 0.52 -1.26 -4.95 118.94 124.79 2cag s TRP 410 Ca 0.53 1.38 -0.29 0.00 0.02 0.00 0.00 56.10 57.74 2cag s TRP 410 Cb -0.04 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 29.20 2cag s TRP 410 CO -0.02 -0.20 1.59 1.21 0.02 0.00 0.00 176.95 179.55 2cag s ASN 411 N 1.10 6.46 0.28 2.95 2.47 -1.26 -4.90 114.94 122.04 2cag s ASN 411 Ca 0.42 1.70 0.25 0.00 0.42 0.00 0.00 52.86 55.64 2cag s ASN 411 Cb -0.17 -2.53 0.98 0.00 -1.45 0.00 0.00 41.25 38.07 2cag s ASN 411 CO 0.15 -1.18 1.75 1.12 -3.72 0.00 0.00 177.10 175.22 2cag h HIS 412 N 10.37 0.00 0.00 0.43 2.07 -1.96 -3.19 115.15 122.88 2cag h HIS 412 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 2cag h HIS 412 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 2cag h HIS 412 CO 0.90 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 176.30 2cag n ARG 413 N -2.34 0.87 -0.00 5.12 1.74 -1.26 -2.87 116.66 117.91 2cag n ARG 413 Ca 0.03 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 2cag n ARG 413 Cb 0.28 -1.02 0.10 0.00 -1.02 0.00 0.00 32.46 30.80 2cag n ARG 413 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2cag h GLU 414 N 0.00 0.55 -5.88 5.56 5.08 -1.98 -3.37 114.58 114.54 2cag h GLU 414 Ca 0.00 -0.30 -0.59 0.00 -1.00 0.00 0.00 59.36 57.48 2cag h GLU 414 Cb 0.00 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 2cag h GLU 414 CO 0.00 0.89 0.52 0.34 -1.00 0.00 0.00 179.01 179.76 2cag s ASP 415 N -6.87 6.91 -0.17 1.42 -1.08 -1.14 -4.83 116.67 110.91 2cag s ASP 415 Ca -0.07 1.14 0.16 0.00 -0.52 0.00 0.00 52.55 53.26 2cag s ASP 415 Cb 0.12 -2.46 0.44 0.00 -1.46 0.00 0.00 42.92 39.56 2cag s ASP 415 CO 0.83 -0.53 1.32 -0.62 0.52 0.00 0.00 175.17 176.69 2cag n GLU 416 N 5.92 2.15 -3.12 4.34 1.02 -1.26 -4.86 120.64 124.82 2cag n GLU 416 Ca 0.07 -2.81 -0.45 0.00 -0.02 0.00 0.00 57.16 53.95 2cag n GLU 416 Cb 0.47 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2cag n GLU 416 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cag s ASP 417 N -2.40 6.93 0.00 1.62 2.15 -1.26 -4.63 116.67 119.07 2cag s ASP 417 Ca 0.39 -2.78 0.22 0.00 0.43 0.00 0.00 52.55 50.81 2cag s ASP 417 Cb 0.33 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.61 2cag s ASP 417 CO 0.05 -0.69 1.02 -1.22 -0.17 0.00 0.00 175.17 174.16 2cag n TYR 418 N 4.83 0.02 -0.01 -5.34 4.01 -1.26 -4.76 117.16 114.64 2cag n TYR 418 Ca 0.25 0.01 0.01 0.00 -0.16 0.00 0.00 57.90 58.00 2cag n TYR 418 Cb 0.45 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 2cag n TYR 418 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2cag n PHE 419 N -1.56 0.00 0.04 -0.72 3.72 -1.26 -4.60 117.46 113.08 2cag n PHE 419 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 2cag n PHE 419 Cb 0.35 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 2cag n PHE 419 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2cag h SER 420 N 0.00 -0.41 0.34 4.37 4.64 -1.93 -2.83 113.55 117.74 2cag h SER 420 Ca -0.07 0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2cag h SER 420 Cb 0.75 0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2cag h SER 420 CO 0.00 -0.19 -1.04 1.56 -0.87 0.00 0.00 176.83 176.30 2cag h GLN 421 N -0.22 0.43 -0.72 4.77 4.20 -1.93 -1.64 115.11 120.01 2cag h GLN 421 Ca 0.06 -0.51 0.12 0.00 0.06 0.00 0.00 58.65 58.37 2cag h GLN 421 Cb 0.29 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 28.10 2cag h GLN 421 CO -0.15 1.17 -0.36 -1.35 -0.67 0.00 0.00 178.83 177.47 2cag h PRO 422 N 0.22 -0.11 -0.46 1.46 0.11 -1.81 -1.51 132.00 129.90 2cag h PRO 422 Ca -0.11 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.02 2cag h PRO 422 Cb 1.69 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.80 2cag h PRO 422 CO 0.18 -0.07 0.30 -0.09 -0.21 0.00 0.00 178.00 178.11 2cag h ARG 423 N -0.12 0.59 -0.52 1.05 2.43 -1.49 0.33 114.38 116.66 2cag h ARG 423 Ca 0.26 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2cag h ARG 423 Cb 0.56 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2cag h ARG 423 CO -0.78 0.39 0.35 0.00 -1.51 0.00 0.00 179.97 178.42 2cag h ALA 424 N 1.18 1.94 0.00 2.80 0.00 -0.85 -0.66 119.26 123.68 2cag h ALA 424 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cag h ALA 424 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2cag h ALA 424 CO -0.05 -0.04 -0.00 1.25 0.00 0.00 0.00 179.25 180.41 2cag h LEU 425 N 0.42 0.00 -0.92 0.00 5.85 -0.05 -3.34 115.31 117.27 2cag h LEU 425 Ca 0.23 -0.91 0.24 0.00 0.84 0.00 0.00 57.88 58.27 2cag h LEU 425 Cb 0.36 -0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.26 2cag h LEU 425 CO -0.06 0.91 0.43 0.22 -0.34 0.00 0.00 178.44 179.61 2cag h TYR 426 N -0.91 0.72 0.00 1.25 5.03 0.38 -0.12 116.97 123.32 2cag h TYR 426 Ca -0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2cag h TYR 426 Cb 0.91 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.02 2cag h TYR 426 CO 0.25 -0.05 0.00 0.39 -1.32 0.00 0.00 178.16 177.42 2cag n GLU 427 N -5.03 0.03 0.10 1.82 1.02 -0.33 -2.67 120.64 115.58 2cag n GLU 427 Ca 0.24 0.16 0.06 0.00 -0.02 0.00 0.00 57.16 57.60 2cag n GLU 427 Cb 0.71 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.62 2cag n GLU 427 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2cag h LEU 428 N 0.00 0.00 -9.84 -4.62 3.38 -1.14 -3.47 115.31 99.62 2cag h LEU 428 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2cag h LEU 428 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2cag h LEU 428 CO 0.00 0.27 0.36 -0.76 0.09 0.00 0.00 178.44 178.40 2cag s LEU 429 N -5.74 4.44 1.13 1.67 1.02 -1.09 -5.04 118.68 115.08 2cag s LEU 429 Ca 0.00 1.91 -0.12 0.00 0.02 0.00 0.00 54.13 55.93 2cag s LEU 429 Cb 0.08 -3.88 0.27 0.00 0.02 0.00 0.00 46.19 42.69 2cag s LEU 429 CO 0.78 -0.02 1.04 -0.94 0.02 0.00 0.00 176.35 177.23 2cag s SER 430 N -1.44 1.19 0.46 2.29 1.04 -1.26 -4.81 113.70 111.17 2cag s SER 430 Ca 0.47 1.61 0.23 0.00 0.48 0.00 0.00 55.95 58.75 2cag s SER 430 Cb -0.22 -2.34 1.12 0.00 0.10 0.00 0.00 66.02 64.68 2cag s SER 430 CO 0.27 -4.09 1.93 0.44 0.98 0.00 0.00 173.24 172.78 2cag h ASP 431 N -2.54 0.00 -0.02 7.02 3.32 -1.97 -2.07 116.42 120.16 2cag h ASP 431 Ca -0.59 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2cag h ASP 431 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2cag h ASP 431 CO 0.49 0.21 -0.04 0.44 -1.72 0.00 0.00 179.24 178.62 2cag h ASP 432 N 0.00 0.06 -0.37 6.45 5.19 -1.99 0.28 116.42 126.05 2cag h ASP 432 Ca -0.00 -0.60 -0.05 0.00 -0.62 0.00 0.00 57.03 55.76 2cag h ASP 432 Cb 0.55 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2cag h ASP 432 CO 0.03 0.64 0.07 -0.08 -3.12 0.00 0.00 179.24 176.79 2cag h GLU 433 N -0.52 0.69 -0.59 3.56 4.81 -1.89 -0.07 114.58 120.57 2cag h GLU 433 Ca -0.00 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2cag h GLU 433 Cb 0.64 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2cag h GLU 433 CO 0.01 0.65 0.30 0.45 -0.73 0.00 0.00 179.01 179.69 2cag h HIS 434 N 0.66 0.84 -0.13 0.92 3.86 -0.88 0.11 115.15 120.52 2cag h HIS 434 Ca 0.15 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 2cag h HIS 434 Cb 0.30 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2cag h HIS 434 CO 0.01 0.62 -0.27 1.96 0.86 0.00 0.00 177.93 181.11 2cag h GLN 435 N 0.81 0.24 0.22 2.45 7.50 -0.02 -1.54 115.11 124.78 2cag h GLN 435 Ca 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 2cag h GLN 435 Cb 0.08 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.60 2cag h GLN 435 CO -0.03 0.51 -0.11 0.00 -1.50 0.00 0.00 178.83 177.70 2cag h ARG 436 N 0.22 -0.29 -0.64 1.46 3.08 0.06 -2.90 114.38 115.37 2cag h ARG 436 Ca 0.03 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.23 2cag h ARG 436 Cb 0.61 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.60 2cag h ARG 436 CO 0.04 0.01 -0.24 0.52 -1.07 0.00 0.00 179.97 179.24 2cag h MET 437 N -0.59 -0.07 -0.78 0.04 2.86 -0.58 0.27 114.93 116.09 2cag h MET 437 Ca -0.03 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2cag h MET 437 Cb 0.43 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2cag h MET 437 CO 0.05 -0.05 0.47 0.74 1.06 0.00 0.00 176.91 179.18 2cag h PHE 438 N -0.07 0.87 -0.48 -0.22 0.04 -1.28 0.60 116.94 116.40 2cag h PHE 438 Ca 0.29 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 2cag h PHE 438 Cb 0.52 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2cag h PHE 438 CO -0.59 0.44 0.16 0.00 -0.60 0.00 0.00 178.31 177.73 2cag h ALA 439 N 1.37 0.62 -0.44 2.45 0.00 -0.86 0.29 119.26 122.70 2cag h ALA 439 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2cag h ALA 439 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cag h ALA 439 CO -0.16 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.28 2cag h ARG 440 N 0.63 0.81 -0.24 0.00 3.08 0.65 -1.89 114.38 117.42 2cag h ARG 440 Ca 0.16 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2cag h ARG 440 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2cag h ARG 440 CO -0.01 0.91 -0.04 0.82 -1.07 0.00 0.00 179.97 180.58 2cag h ILE 441 N 0.64 1.28 -0.72 2.04 2.04 0.54 -3.17 117.51 120.16 2cag h ILE 441 Ca 0.12 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.02 2cag h ILE 441 Cb 0.58 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 2cag h ILE 441 CO 0.03 0.32 0.40 0.00 0.00 0.00 0.00 178.15 178.91 2cag h ALA 442 N 0.77 0.97 -0.61 1.87 0.00 -0.30 0.20 119.26 122.16 2cag h ALA 442 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2cag h ALA 442 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2cag h ALA 442 CO 0.02 0.08 0.42 0.78 0.00 0.00 0.00 179.25 180.55 2cag h GLY 443 N 0.73 0.42 0.00 0.00 0.00 -1.32 0.29 103.07 103.19 2cag h GLY 443 Ca 0.32 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 2cag h GLY 443 CO -0.19 0.05 -1.17 1.18 0.00 0.00 0.00 176.54 176.41 2cag n GLU 444 N -4.44 0.54 0.23 4.80 1.02 -0.68 -4.52 120.64 117.59 2cag n GLU 444 Ca 0.11 0.54 0.09 0.00 -0.02 0.00 0.00 57.16 57.88 2cag n GLU 444 Cb 0.50 -1.72 0.57 0.00 -0.02 0.00 0.00 31.44 30.77 2cag n GLU 444 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2cag h LEU 445 N -1.00 0.00 -2.22 -4.62 5.85 -0.32 -2.29 115.31 110.71 2cag h LEU 445 Ca -0.29 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2cag h LEU 445 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2cag h LEU 445 CO -0.18 0.20 0.21 0.77 -0.34 0.00 0.00 178.44 179.10 2cag h SER 446 N 0.00 0.00 1.77 1.25 4.64 -0.66 0.15 113.55 120.70 2cag h SER 446 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cag h SER 446 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2cag h SER 446 CO 0.03 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.55 2cag h GLN 447 N 0.00 0.00 -7.55 4.77 4.20 -1.64 -3.48 115.11 111.42 2cag h GLN 447 Ca 0.09 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.36 2cag h GLN 447 Cb 0.50 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.44 2cag h GLN 447 CO -0.00 0.00 0.28 0.00 -0.67 0.00 0.00 178.83 178.44 2cag s ALA 448 N -3.23 1.52 0.67 3.87 0.00 0.52 -4.64 121.76 120.47 2cag s ALA 448 Ca 0.07 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2cag s ALA 448 Cb 0.07 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2cag s ALA 448 CO 0.64 -2.74 1.13 0.45 0.00 0.00 0.00 175.76 175.23 2cag n SER 449 N -4.08 1.28 -0.12 0.00 2.88 -1.26 -4.75 113.62 107.57 2cag n SER 449 Ca 0.11 0.76 0.01 0.00 -1.33 0.00 0.00 58.87 58.43 2cag n SER 449 Cb 0.59 -1.48 0.31 0.00 -0.75 0.00 0.00 64.21 62.88 2cag n SER 449 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2cag h LYS 450 N 0.20 0.78 -0.43 -1.46 3.64 -1.95 0.14 116.57 117.49 2cag h LYS 450 Ca -0.49 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2cag h LYS 450 Cb 1.34 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2cag h LYS 450 CO 0.50 0.55 0.13 1.49 -2.27 0.00 0.00 179.45 179.85 2cag h GLU 451 N 0.80 0.68 -0.64 1.90 4.81 -1.99 0.25 114.58 120.38 2cag h GLU 451 Ca 0.21 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2cag h GLU 451 Cb -0.03 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2cag h GLU 451 CO -0.04 0.67 0.26 1.15 -0.73 0.00 0.00 179.01 180.32 2cag h THR 452 N 0.56 1.23 -0.64 0.32 2.02 -1.65 0.22 112.91 114.98 2cag h THR 452 Ca 0.14 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2cag h THR 452 Cb 0.28 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2cag h THR 452 CO -0.00 0.29 0.42 1.56 0.37 0.00 0.00 175.52 178.15 2cag h GLN 453 N 0.90 0.83 0.04 6.66 4.20 -0.14 -1.24 115.11 126.35 2cag h GLN 453 Ca 0.21 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2cag h GLN 453 Cb 0.19 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2cag h GLN 453 CO -0.02 0.55 -0.02 0.37 -0.67 0.00 0.00 178.83 179.04 2cag h GLN 454 N 0.85 -0.06 -0.67 1.46 5.75 0.10 -1.80 115.11 120.74 2cag h GLN 454 Ca 0.24 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.77 2cag h GLN 454 Cb -0.08 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 2cag h GLN 454 CO -0.06 0.20 0.41 -0.09 -2.65 0.00 0.00 178.83 176.64 2cag h ARG 455 N -0.31 0.78 -0.30 1.69 2.43 -0.47 -1.10 114.38 117.10 2cag h ARG 455 Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2cag h ARG 455 Cb 0.28 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2cag h ARG 455 CO 0.01 0.52 0.03 0.37 -1.51 0.00 0.00 179.97 179.39 2cag h GLN 456 N 0.81 0.50 -0.98 0.20 5.75 -1.17 -1.69 115.11 118.53 2cag h GLN 456 Ca 0.28 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2cag h GLN 456 Cb 0.04 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 2cag h GLN 456 CO -0.12 0.62 0.64 0.82 -2.65 0.00 0.00 178.83 178.14 2cag h ILE 457 N 0.31 1.13 -0.56 2.39 2.04 -0.61 0.38 117.51 122.60 2cag h ILE 457 Ca 0.09 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2cag h ILE 457 Cb 0.37 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2cag h ILE 457 CO 0.01 0.22 0.37 0.44 0.00 0.00 0.00 178.15 179.19 2cag h ASP 458 N 1.20 0.64 -0.39 1.72 5.19 -0.92 0.25 116.42 124.11 2cag h ASP 458 Ca 0.41 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.82 2cag h ASP 458 Cb 0.08 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 2cag h ASP 458 CO -0.14 0.47 0.21 -0.07 -3.12 0.00 0.00 179.24 176.59 2cag h LEU 459 N 0.76 0.33 -1.01 1.55 4.07 0.22 -1.80 115.31 119.43 2cag h LEU 459 Ca 0.20 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 2cag h LEU 459 Cb -0.08 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2cag h LEU 459 CO -0.04 0.24 0.09 -0.26 -1.08 0.00 0.00 178.44 177.38 2cag h PHE 460 N 0.43 0.84 -0.28 1.13 0.04 0.56 -2.36 116.94 117.29 2cag h PHE 460 Ca 0.16 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.88 2cag h PHE 460 Cb 0.04 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 2cag h PHE 460 CO -0.09 0.72 0.07 1.15 -0.60 0.00 0.00 178.31 179.57 2cag h THR 461 N 0.77 0.89 0.00 -1.55 2.02 0.04 -2.38 112.91 112.70 2cag h THR 461 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2cag h THR 461 Cb 0.34 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2cag h THR 461 CO 0.00 0.03 0.00 0.11 0.37 0.00 0.00 175.52 176.04 2cag h LYS 462 N 0.18 0.00 -0.03 6.66 1.57 -0.79 0.95 116.57 125.10 2cag h LYS 462 Ca 0.13 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 2cag h LYS 462 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2cag h LYS 462 CO -0.16 0.00 -0.94 0.28 -0.57 0.00 0.00 179.45 178.07 2cag h VAL 463 N 0.00 1.34 0.00 0.50 2.07 -1.36 -3.47 116.25 115.32 2cag h VAL 463 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2cag h VAL 463 Cb 0.24 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2cag h VAL 463 CO 0.00 0.69 0.00 1.57 0.02 0.00 0.00 177.57 179.85 2cag n HIS 464 N -3.82 0.00 -0.01 1.57 -0.00 0.28 -4.44 115.22 108.79 2cag n HIS 464 Ca -0.08 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.26 2cag n HIS 464 Cb 0.83 0.00 0.62 0.00 -0.12 0.00 0.00 29.99 31.32 2cag n HIS 464 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2cag h PRO 465 N 0.00 0.14 0.00 1.57 0.13 -1.71 0.85 132.00 132.99 2cag h PRO 465 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2cag h PRO 465 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 2cag h PRO 465 CO 0.00 0.09 -0.20 1.49 -0.23 0.00 0.00 178.00 179.15 2cag h GLU 466 N 0.15 0.00 -0.09 0.86 4.81 -1.92 -1.05 114.58 117.33 2cag h GLU 466 Ca 0.25 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2cag h GLU 466 Cb 0.78 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2cag h GLU 466 CO -0.03 0.20 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.44 2cag h TYR 467 N 0.00 0.27 -0.07 0.92 5.03 0.50 0.52 116.97 124.13 2cag h TYR 467 Ca -0.00 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.18 2cag h TYR 467 Cb 0.48 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2cag h TYR 467 CO 0.00 0.65 -0.16 0.78 -1.32 0.00 0.00 178.16 178.11 2cag h GLY 468 N -0.18 0.12 0.82 1.82 0.00 -1.46 -2.59 103.07 101.59 2cag h GLY 468 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 2cag h GLY 468 CO 0.02 0.07 -0.39 0.00 0.00 0.00 0.00 176.54 176.24 2cag h ALA 469 N 1.73 -1.08 -0.71 3.60 0.00 -0.70 -1.06 119.26 121.04 2cag h ALA 469 Ca 0.02 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.85 2cag h ALA 469 Cb 0.36 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 2cag h ALA 469 CO 0.02 -1.01 0.02 0.78 0.00 0.00 0.00 179.25 179.06 2cag h GLY 470 N -1.28 0.80 0.77 0.00 0.00 -0.75 0.50 103.07 103.13 2cag h GLY 470 Ca -0.11 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2cag h GLY 470 CO 0.18 -0.26 -0.02 -2.08 0.00 0.00 0.00 176.54 174.37 2cag h VAL 471 N 0.12 1.27 -0.25 4.60 2.07 -1.47 -0.06 116.25 122.54 2cag h VAL 471 Ca 0.39 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2cag h VAL 471 Cb 0.67 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2cag h VAL 471 CO -0.61 0.27 0.12 -0.08 0.02 0.00 0.00 177.57 177.29 2cag h GLU 472 N -0.00 0.25 -0.05 1.57 4.81 0.29 -1.72 114.58 119.74 2cag h GLU 472 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2cag h GLU 472 Cb 0.42 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2cag h GLU 472 CO 0.01 0.17 0.02 -0.22 -0.73 0.00 0.00 179.01 178.26 2cag h LYS 473 N 0.26 0.04 -0.69 1.92 3.64 -0.92 -2.32 116.57 118.50 2cag h LYS 473 Ca 0.10 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2cag h LYS 473 Cb 0.02 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2cag h LYS 473 CO -0.07 0.03 0.46 0.00 -2.27 0.00 0.00 179.45 177.60 2cag h ALA 474 N 1.03 1.89 0.07 5.00 0.00 -0.53 -1.58 119.26 125.14 2cag h ALA 474 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cag h ALA 474 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2cag h ALA 474 CO -0.02 -0.04 -0.03 0.82 0.00 0.00 0.00 179.25 179.98 2cag h ILE 475 N 0.57 1.13 0.00 0.00 2.04 -0.94 -3.18 117.51 117.13 2cag h ILE 475 Ca 0.32 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2cag h ILE 475 Cb 0.49 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2cag h ILE 475 CO -0.11 0.18 0.00 0.50 0.00 0.00 0.00 178.15 178.72 2cag h LYS 476 N -0.42 0.00 0.00 2.37 3.64 -0.78 0.94 116.57 122.32 2cag h LYS 476 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2cag h LYS 476 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2cag h LYS 476 CO 0.02 0.00 0.00 0.28 -2.27 0.00 0.00 179.45 177.48 2cag n VAL 477 N -2.62 0.12 0.93 2.00 0.31 -0.89 -5.10 118.33 113.08 2cag n VAL 477 Ca -0.02 0.03 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2cag n VAL 477 Cb 0.07 -0.57 0.09 0.00 -0.91 0.00 0.00 33.84 32.52 2cag n VAL 477 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69