#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iaw n PRO 4 N 0.00 2.04 -4.95 0.38 -0.04 -1.26 -4.74 135.00 126.43 2iaw n PRO 4 Ca 0.00 0.72 -0.28 0.00 -0.04 0.00 0.00 63.50 63.90 2iaw n PRO 4 Cb 0.00 -2.28 -0.16 0.00 -0.04 0.00 0.00 33.50 31.02 2iaw n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2iaw s VAL 5 N -1.10 1.61 0.26 0.52 1.01 -1.26 -0.79 120.40 120.65 2iaw s VAL 5 Ca 0.56 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.83 2iaw s VAL 5 Cb -0.58 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2iaw s VAL 5 CO 0.62 0.46 -0.00 0.27 0.00 0.00 0.00 175.10 176.44 2iaw s ILE 6 N 0.05 3.47 -0.45 2.22 -4.36 -0.21 -4.96 121.20 116.96 2iaw s ILE 6 Ca -0.05 -1.87 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 2iaw s ILE 6 Cb -0.13 -2.84 0.22 0.00 1.25 0.00 0.00 42.46 40.96 2iaw s ILE 6 CO 0.03 -0.35 0.48 -0.62 0.24 0.00 0.00 174.94 174.73 2iaw n GLU 7 N -0.82 0.83 -1.31 0.37 1.02 -1.26 -1.46 120.64 118.01 2iaw n GLU 7 Ca -0.07 -3.47 -0.32 0.00 -0.02 0.00 0.00 57.16 53.28 2iaw n GLU 7 Cb 0.59 -1.57 0.09 0.00 -0.02 0.00 0.00 31.44 30.53 2iaw n GLU 7 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2iaw s PRO 8 N -0.94 2.20 -0.05 3.49 0.04 -1.26 -4.97 135.00 133.51 2iaw s PRO 8 Ca 0.34 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2iaw s PRO 8 Cb 0.11 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2iaw s PRO 8 CO -0.13 -1.71 1.34 -1.17 0.04 0.00 0.00 177.00 175.37 2iaw s LEU 9 N -5.72 4.28 -0.16 -3.56 2.96 -1.26 -5.00 118.68 110.22 2iaw s LEU 9 Ca 0.64 1.96 -0.12 0.00 -0.22 0.00 0.00 54.13 56.40 2iaw s LEU 9 Cb -0.20 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2iaw s LEU 9 CO 0.52 -0.71 0.22 -0.36 -1.32 0.00 0.00 176.35 174.71 2iaw s PHE 10 N 2.70 3.47 -0.14 5.38 0.40 -1.26 -4.44 117.98 124.08 2iaw s PHE 10 Ca 0.61 0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 57.42 2iaw s PHE 10 Cb -0.28 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 2iaw s PHE 10 CO 0.23 0.32 -0.08 0.99 0.70 0.00 0.00 175.22 177.38 2iaw s THR 11 N 0.23 3.53 0.35 0.64 2.01 -0.11 -4.91 115.64 117.38 2iaw s THR 11 Ca 0.13 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2iaw s THR 11 Cb -0.12 -2.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 2iaw s THR 11 CO 0.02 0.51 1.33 -0.75 -0.69 0.00 0.00 174.62 175.05 2iaw s LYS 12 N 0.30 4.26 -0.09 4.92 2.47 -1.26 -0.82 119.74 129.51 2iaw s LYS 12 Ca -0.06 2.26 -0.05 0.00 -1.56 0.00 0.00 55.97 56.56 2iaw s LYS 12 Cb -0.15 -3.01 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2iaw s LYS 12 CO 0.04 -0.29 -0.13 0.28 0.16 0.00 0.00 175.35 175.41 2iaw n VAL 13 N 0.64 0.66 -3.59 4.02 0.31 0.23 -4.86 118.33 115.73 2iaw n VAL 13 Ca 0.01 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 2iaw n VAL 13 Cb 0.42 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 2iaw n VAL 13 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2iaw s THR 14 N -2.21 0.00 0.23 2.52 -1.32 -1.03 -4.30 115.64 109.54 2iaw s THR 14 Ca -0.14 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 59.96 2iaw s THR 14 Cb 0.05 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 2iaw s THR 14 CO 0.18 -0.01 0.03 -1.61 -2.21 0.00 0.00 174.62 171.00 2iaw s GLU 15 N -3.82 1.33 -1.14 7.08 2.02 -1.26 -1.25 118.70 121.66 2iaw s GLU 15 Ca 0.05 -1.68 -0.03 0.00 0.02 0.00 0.00 54.97 53.32 2iaw s GLU 15 Cb -0.03 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 2iaw s GLU 15 CO -0.05 -0.17 0.95 -0.25 0.02 0.00 0.00 175.26 175.75 2iaw n ASP 16 N -0.41 -4.08 -3.97 -0.19 8.00 -0.78 -4.95 116.55 110.17 2iaw n ASP 16 Ca -0.04 -0.68 -0.31 0.00 0.71 0.00 0.00 54.79 54.48 2iaw n ASP 16 Cb 0.65 -5.09 -0.15 0.00 -0.02 0.00 0.00 41.12 36.51 2iaw n ASP 16 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2iaw s ILE 17 N -3.39 2.21 -0.22 0.53 1.01 -0.21 -5.05 121.20 116.10 2iaw s ILE 17 Ca 0.21 -2.54 -0.33 0.00 0.00 0.00 0.00 60.65 57.99 2iaw s ILE 17 Cb -0.03 -2.61 -0.10 0.00 0.01 0.00 0.00 42.46 39.74 2iaw s ILE 17 CO 0.74 -0.67 2.09 -2.65 0.00 0.00 0.00 174.94 174.45 2iaw n PRO 18 N 3.97 1.75 -1.71 2.79 -0.02 -1.26 -1.13 135.00 139.38 2iaw n PRO 18 Ca 0.04 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 2iaw n PRO 18 Cb 0.39 -2.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 2iaw n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iaw n GLY 19 N 5.55 0.50 1.62 -1.23 0.00 -1.26 -2.33 105.19 108.04 2iaw n GLY 19 Ca 0.31 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2iaw n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iaw n ALA 20 N -0.17 -1.17 -3.64 4.61 0.00 -0.28 -4.29 120.51 115.57 2iaw n ALA 20 Ca -0.09 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2iaw n ALA 20 Cb 0.42 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.07 2iaw n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2iaw s GLU 21 N 0.75 2.21 -1.47 0.00 0.41 -0.49 -4.27 118.70 115.83 2iaw s GLU 21 Ca 0.44 -1.52 -0.06 0.00 -0.41 0.00 0.00 54.97 53.42 2iaw s GLU 21 Cb -0.62 0.59 0.04 0.00 -1.78 0.00 0.00 34.13 32.37 2iaw s GLU 21 CO 0.32 -1.01 0.61 0.41 -0.49 0.00 0.00 175.26 175.09 2iaw n GLY 22 N -0.54 -0.31 3.76 -1.39 0.00 -1.17 -1.22 105.19 104.31 2iaw n GLY 22 Ca -0.07 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2iaw n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iaw s PRO 23 N -6.57 4.30 -0.05 1.61 0.04 -1.26 -4.25 135.00 128.82 2iaw s PRO 23 Ca 0.25 2.28 -0.28 0.00 0.04 0.00 0.00 61.00 63.29 2iaw s PRO 23 Cb -0.13 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2iaw s PRO 23 CO 0.88 -0.31 0.61 0.54 0.04 0.00 0.00 177.00 178.76 2iaw s VAL 24 N -0.68 0.01 -0.10 -0.36 0.11 -0.46 -4.67 120.40 114.25 2iaw s VAL 24 Ca 0.53 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.49 2iaw s VAL 24 Cb -0.41 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2iaw s VAL 24 CO 0.50 -0.05 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.81 2iaw s PHE 25 N -1.18 3.00 0.33 1.54 0.08 -1.26 -0.83 117.98 119.65 2iaw s PHE 25 Ca -0.11 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 2iaw s PHE 25 Cb -0.01 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 2iaw s PHE 25 CO 0.09 0.24 0.45 -0.40 -0.10 0.00 0.00 175.22 175.50 2iaw n ASP 26 N 2.59 0.53 0.09 1.36 5.68 0.02 -4.67 116.55 122.16 2iaw n ASP 26 Ca -0.18 -1.46 0.12 0.00 -0.50 0.00 0.00 54.79 52.76 2iaw n ASP 26 Cb 0.53 -0.30 0.45 0.00 -1.14 0.00 0.00 41.12 40.67 2iaw n ASP 26 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2iaw n LYS 27 N -1.84 0.17 -0.07 0.11 5.02 -1.26 -1.46 118.16 118.82 2iaw n LYS 27 Ca 0.07 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 2iaw n LYS 27 Cb 0.26 -1.77 0.23 0.00 -0.02 0.00 0.00 35.03 33.73 2iaw n LYS 27 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2iaw n ASN 28 N -2.08 2.78 0.00 4.39 3.02 -1.26 -4.94 115.26 117.17 2iaw n ASN 28 Ca 0.04 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2iaw n ASN 28 Cb 0.28 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2iaw n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iaw n GLY 29 N 1.35 0.58 3.81 7.41 0.00 -0.54 -5.04 105.19 112.76 2iaw n GLY 29 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2iaw n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iaw s ASP 30 N -2.01 6.22 -0.10 1.61 1.01 -1.26 -4.76 116.67 117.38 2iaw s ASP 30 Ca 0.00 1.77 0.02 0.00 0.71 0.00 0.00 52.55 55.05 2iaw s ASP 30 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2iaw s ASP 30 CO 0.00 -0.86 -0.16 0.12 0.21 0.00 0.00 175.17 174.48 2iaw s PHE 31 N -2.36 2.72 0.15 4.23 5.36 -1.26 -0.80 117.98 126.02 2iaw s PHE 31 Ca 0.63 -0.59 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 2iaw s PHE 31 Cb -0.14 -1.75 -0.04 0.00 -0.34 0.00 0.00 43.02 40.74 2iaw s PHE 31 CO 0.29 -0.15 -0.13 0.71 -1.46 0.00 0.00 175.22 174.49 2iaw s TYR 32 N 0.05 1.43 0.11 10.12 1.51 -0.01 -0.69 117.35 129.87 2iaw s TYR 32 Ca -0.06 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.33 2iaw s TYR 32 Cb -0.15 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 2iaw s TYR 32 CO 0.05 0.17 0.13 0.42 -1.11 0.00 0.00 175.55 175.21 2iaw s ILE 33 N -2.68 0.13 0.12 2.71 -1.09 -0.59 -1.35 121.20 118.46 2iaw s ILE 33 Ca 0.14 -1.56 0.10 0.00 -2.23 0.00 0.00 60.65 57.10 2iaw s ILE 33 Cb -0.02 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 2iaw s ILE 33 CO 0.03 -0.58 -0.21 0.68 -1.23 0.00 0.00 174.94 173.63 2iaw s VAL 34 N -3.95 2.64 -0.72 2.92 -7.23 -0.36 -0.57 120.40 113.14 2iaw s VAL 34 Ca 0.14 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2iaw s VAL 34 Cb 0.06 -2.20 0.18 0.00 0.56 0.00 0.00 36.38 34.97 2iaw s VAL 34 CO -0.05 0.09 0.53 0.00 -0.31 0.00 0.00 175.10 175.36 2iaw n ALA 35 N 0.81 3.48 0.28 1.32 0.00 0.63 -1.40 120.51 125.64 2iaw n ALA 35 Ca -0.16 -4.55 0.15 0.00 0.00 0.00 0.00 53.44 48.87 2iaw n ALA 35 Cb 0.53 -1.07 0.83 0.00 0.00 0.00 0.00 19.45 19.74 2iaw n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2iaw h PRO 36 N 5.36 0.00 -0.26 0.00 0.13 -1.51 -1.79 132.00 133.94 2iaw h PRO 36 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2iaw h PRO 36 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2iaw h PRO 36 CO 0.73 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 2iaw n GLU 37 N -3.56 2.16 -1.90 0.86 1.02 -0.98 -4.34 120.64 113.90 2iaw n GLU 37 Ca -0.02 -1.74 -0.42 0.00 -0.02 0.00 0.00 57.16 54.96 2iaw n GLU 37 Cb 0.19 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2iaw n GLU 37 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2iaw s VAL 38 N -1.67 2.44 0.04 2.62 1.01 -1.21 -4.93 120.40 118.69 2iaw s VAL 38 Ca 0.35 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2iaw s VAL 38 Cb 0.20 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2iaw s VAL 38 CO 0.29 0.04 -0.08 -1.61 0.00 0.00 0.00 175.10 173.75 2iaw s GLU 39 N 0.22 0.54 -0.15 2.72 2.02 -1.26 -0.73 118.70 122.06 2iaw s GLU 39 Ca 0.65 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.92 2iaw s GLU 39 Cb -0.45 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.47 2iaw s GLU 39 CO 0.40 0.06 -0.16 0.08 0.02 0.00 0.00 175.26 175.66 2iaw s VAL 40 N -1.29 1.70 -1.50 2.63 1.01 -0.40 -4.73 120.40 117.82 2iaw s VAL 40 Ca -0.09 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 2iaw s VAL 40 Cb -0.09 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.79 2iaw s VAL 40 CO 0.00 0.48 0.82 0.59 0.00 0.00 0.00 175.10 177.00 2iaw n ASN 41 N 4.61 -3.27 -0.11 3.32 5.03 -1.26 -1.45 115.26 122.13 2iaw n ASN 41 Ca -0.18 -0.85 -0.01 0.00 0.87 0.00 0.00 54.58 54.40 2iaw n ASN 41 Cb 0.50 -3.63 -0.01 0.00 -1.02 0.00 0.00 39.78 35.63 2iaw n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2iaw n GLY 42 N -1.66 0.31 3.63 7.41 0.00 -1.26 -5.00 105.19 108.62 2iaw n GLY 42 Ca -0.07 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2iaw n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iaw s LYS 43 N -1.50 2.30 0.33 1.61 3.01 -0.53 -5.07 119.74 119.89 2iaw s LYS 43 Ca 0.00 -1.06 -0.29 0.00 -1.01 0.00 0.00 55.97 53.61 2iaw s LYS 43 Cb 0.00 -2.35 -0.12 0.00 -1.01 0.00 0.00 37.83 34.35 2iaw s LYS 43 CO 0.00 0.48 1.43 -2.30 0.51 0.00 0.00 175.35 175.47 2iaw n PRO 44 N 0.24 2.39 -2.69 -1.68 -0.02 -1.26 -1.28 135.00 130.71 2iaw n PRO 44 Ca -0.11 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 2iaw n PRO 44 Cb 0.54 -2.52 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2iaw n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iaw n ALA 45 N 0.96 1.97 -1.22 3.55 0.00 0.09 -3.85 120.51 122.01 2iaw n ALA 45 Ca 0.05 -1.83 -0.34 0.00 0.00 0.00 0.00 53.44 51.33 2iaw n ALA 45 Cb 0.36 -0.97 0.11 0.00 0.00 0.00 0.00 19.45 18.96 2iaw n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iaw s GLY 46 N -1.80 2.23 0.15 0.00 0.00 -0.26 -4.54 107.32 103.09 2iaw s GLY 46 Ca 0.23 0.85 0.06 0.00 0.00 0.00 0.00 44.72 45.86 2iaw s GLY 46 CO -0.05 1.27 -0.13 -0.54 0.00 0.00 0.00 173.10 173.64 2iaw s GLU 47 N -4.05 1.11 -0.13 2.90 2.02 -0.68 -3.88 118.70 115.99 2iaw s GLU 47 Ca 0.74 -1.36 0.03 0.00 0.02 0.00 0.00 54.97 54.39 2iaw s GLU 47 Cb -0.29 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2iaw s GLU 47 CO 0.48 0.16 -0.22 0.42 0.02 0.00 0.00 175.26 176.12 2iaw s ILE 48 N -2.56 2.06 0.08 -1.63 1.01 0.50 -0.27 121.20 120.39 2iaw s ILE 48 Ca 0.14 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.90 2iaw s ILE 48 Cb -0.02 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2iaw s ILE 48 CO 0.03 0.55 -0.26 -0.76 0.00 0.00 0.00 174.94 174.51 2iaw s LEU 49 N 0.71 2.23 -0.11 2.97 1.02 0.27 -1.01 118.68 124.76 2iaw s LEU 49 Ca -0.10 -0.65 -0.07 0.00 0.02 0.00 0.00 54.13 53.33 2iaw s LEU 49 Cb -0.16 -1.21 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 2iaw s LEU 49 CO 0.00 0.21 0.14 -0.60 0.02 0.00 0.00 176.35 176.13 2iaw s ARG 50 N -1.59 3.43 -0.13 1.70 3.52 0.59 -1.54 118.95 124.93 2iaw s ARG 50 Ca 0.12 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2iaw s ARG 50 Cb -0.10 -3.18 -0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2iaw s ARG 50 CO 0.04 0.77 -0.17 0.42 -0.81 0.00 0.00 175.30 175.54 2iaw s ILE 51 N -1.05 2.59 -0.43 4.11 -1.09 0.13 -1.22 121.20 124.24 2iaw s ILE 51 Ca 0.16 -0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 57.48 2iaw s ILE 51 Cb -0.12 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 2iaw s ILE 51 CO 0.05 0.53 1.07 -0.62 -1.23 0.00 0.00 174.94 174.75 2iaw s ASP 52 N 0.53 6.68 0.35 3.58 -1.08 -0.50 -4.28 116.67 121.94 2iaw s ASP 52 Ca -0.11 0.55 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 2iaw s ASP 52 Cb -0.16 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 39.98 2iaw s ASP 52 CO 0.04 -1.11 1.78 -0.07 0.52 0.00 0.00 175.17 176.33 2iaw h LEU 53 N 10.78 0.00 0.06 -1.34 3.38 -1.95 0.94 115.31 127.19 2iaw h LEU 53 Ca -0.23 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 2iaw h LEU 53 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2iaw h LEU 53 CO 1.08 0.00 -1.21 0.11 0.09 0.00 0.00 178.44 178.51 2iaw h LYS 54 N 0.00 0.13 0.00 1.13 1.57 -1.97 -3.40 116.57 114.04 2iaw h LYS 54 Ca 0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2iaw h LYS 54 Cb 0.23 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2iaw h LYS 54 CO 0.00 1.06 -1.18 0.25 -0.57 0.00 0.00 179.45 179.01 2iaw n THR 55 N -3.41 0.02 -0.70 -0.16 -2.24 -1.03 -4.99 114.28 101.77 2iaw n THR 55 Ca -0.06 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2iaw n THR 55 Cb 0.99 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2iaw n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iaw n GLY 56 N 2.33 0.93 3.77 3.38 0.00 0.30 -5.01 105.19 110.88 2iaw n GLY 56 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2iaw n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iaw s LYS 57 N -0.27 4.36 -0.01 1.61 1.02 -1.25 -4.67 119.74 120.53 2iaw s LYS 57 Ca 0.00 2.00 0.02 0.00 0.02 0.00 0.00 55.97 58.01 2iaw s LYS 57 Cb 0.00 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 2iaw s LYS 57 CO 0.00 -0.11 -0.02 0.15 -0.92 0.00 0.00 175.35 174.45 2iaw s LYS 58 N -1.83 2.75 -0.05 1.68 1.02 -1.26 -1.41 119.74 120.63 2iaw s LYS 58 Ca 0.50 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.89 2iaw s LYS 58 Cb -0.35 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2iaw s LYS 58 CO 0.46 0.63 -0.08 0.99 -0.92 0.00 0.00 175.35 176.43 2iaw s THR 59 N -1.04 0.80 -0.32 2.17 2.01 -0.36 -4.99 115.64 113.91 2iaw s THR 59 Ca 0.18 -0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 2iaw s THR 59 Cb -0.11 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2iaw s THR 59 CO 0.09 0.28 0.85 -0.69 -0.69 0.00 0.00 174.62 174.46 2iaw s VAL 60 N 0.82 4.72 -0.13 3.82 1.01 -1.26 -0.30 120.40 129.08 2iaw s VAL 60 Ca -0.12 1.26 0.19 0.00 0.00 0.00 0.00 61.98 63.31 2iaw s VAL 60 Cb -0.15 -4.21 -0.20 0.00 0.00 0.00 0.00 36.38 31.81 2iaw s VAL 60 CO 0.02 -0.33 0.59 2.30 0.00 0.00 0.00 175.10 177.68 2iaw n ILE 61 N 5.64 0.81 -3.73 2.22 -5.35 -0.18 -4.94 119.36 113.84 2iaw n ILE 61 Ca 0.05 -0.65 -0.12 0.00 -0.27 0.00 0.00 62.75 61.76 2iaw n ILE 61 Cb 0.48 -0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 37.86 2iaw n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iaw n LYS 63 N 3.42 1.21 -1.97 0.00 4.81 -1.26 -0.37 118.16 123.99 2iaw n LYS 63 Ca -0.17 -3.96 -0.41 0.00 -0.87 0.00 0.00 58.31 52.90 2iaw n LYS 63 Cb 0.56 -2.02 -0.02 0.00 0.02 0.00 0.00 35.03 33.58 2iaw n LYS 63 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2iaw s PRO 64 N -0.94 4.24 -0.08 1.64 0.04 -1.25 -4.92 135.00 133.73 2iaw s PRO 64 Ca 0.29 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 2iaw s PRO 64 Cb 0.01 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.51 2iaw s PRO 64 CO -0.17 -0.41 0.33 -1.83 0.04 0.00 0.00 177.00 174.96 2iaw s GLU 65 N -1.00 0.50 -0.17 4.56 4.04 -1.26 -0.97 118.70 124.41 2iaw s GLU 65 Ca 0.56 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.80 2iaw s GLU 65 Cb -0.43 0.23 0.04 0.00 0.02 0.00 0.00 34.13 33.99 2iaw s GLU 65 CO 0.49 -0.10 -0.10 0.08 -1.84 0.00 0.00 175.26 173.80 2iaw s VAL 66 N -0.40 1.41 -1.43 1.83 1.01 -0.20 -4.75 120.40 117.88 2iaw s VAL 66 Ca -0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2iaw s VAL 66 Cb -0.03 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.95 2iaw s VAL 66 CO 0.02 0.25 0.68 0.59 0.00 0.00 0.00 175.10 176.64 2iaw n ASN 67 N 4.79 -4.50 0.00 3.32 3.02 -1.26 -1.23 115.26 119.39 2iaw n ASN 67 Ca -0.14 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2iaw n ASN 67 Cb 0.48 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2iaw n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iaw n GLY 68 N -1.41 1.47 3.58 7.41 0.00 -1.26 -5.02 105.19 109.96 2iaw n GLY 68 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2iaw n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iaw s TYR 69 N -2.61 3.18 0.63 1.61 2.02 -0.37 -5.05 117.35 116.76 2iaw s TYR 69 Ca 0.00 0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 57.06 2iaw s TYR 69 Cb 0.00 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 2iaw s TYR 69 CO 0.00 -0.57 1.04 0.20 -1.57 0.00 0.00 175.55 174.65 2iaw s GLY 70 N 1.73 1.72 0.52 0.71 0.00 -1.25 -1.03 107.32 109.72 2iaw s GLY 70 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.98 2iaw s GLY 70 CO 0.14 0.29 0.75 -0.32 0.00 0.00 0.00 173.10 173.96 2iaw s GLY 71 N -3.91 1.70 -0.57 0.20 0.00 -0.14 -4.75 107.32 99.84 2iaw s GLY 71 Ca 0.57 -1.15 0.06 0.00 0.00 0.00 0.00 44.72 44.19 2iaw s GLY 71 CO 0.52 -0.91 0.57 1.39 0.00 0.00 0.00 173.10 174.67 2iaw n ILE 72 N -2.28 0.96 -2.15 0.90 5.41 -1.26 -1.11 119.36 119.82 2iaw n ILE 72 Ca 0.05 -4.59 -0.42 0.00 1.00 0.00 0.00 62.75 58.79 2iaw n ILE 72 Cb 0.59 -2.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 2iaw n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2iaw s PRO 73 N -1.55 4.34 0.00 0.38 0.04 -1.26 -0.31 135.00 136.64 2iaw s PRO 73 Ca 0.34 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2iaw s PRO 73 Cb 0.09 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2iaw s PRO 73 CO -0.10 -0.36 0.00 0.00 0.04 0.00 0.00 177.00 176.57 2iaw n ALA 74 N 3.13 1.01 -3.32 8.56 0.00 0.94 -3.19 120.51 127.64 2iaw n ALA 74 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2iaw n ALA 74 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2iaw n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iaw s GLY 75 N -1.03 -0.48 0.04 0.00 0.00 -0.95 -3.06 107.32 101.84 2iaw s GLY 75 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 2iaw s GLY 75 CO 0.00 0.24 0.03 0.00 0.00 0.00 0.00 173.10 173.37 2iaw s GLN 77 N -2.85 0.43 -0.08 0.00 -1.52 -0.11 -4.78 119.66 110.76 2iaw s GLN 77 Ca -0.03 -0.46 -0.11 0.00 -1.95 0.00 0.00 55.36 52.81 2iaw s GLN 77 Cb 0.00 0.17 -0.05 0.00 -0.22 0.00 0.00 33.01 32.92 2iaw s GLN 77 CO -0.06 -0.09 0.25 0.00 -0.25 0.00 0.00 175.29 175.14 2iaw s ASP 79 N -0.91 4.31 -0.21 0.00 2.15 -0.35 -4.09 116.67 117.57 2iaw s ASP 79 Ca 0.18 1.58 -0.17 0.00 0.43 0.00 0.00 52.55 54.57 2iaw s ASP 79 Cb -0.14 -2.31 -0.13 0.00 -0.30 0.00 0.00 42.92 40.04 2iaw s ASP 79 CO 0.07 -2.13 -0.03 -1.14 -0.17 0.00 0.00 175.17 171.78 2iaw n ARG 80 N -3.56 0.55 0.20 4.34 0.63 -1.26 -4.52 116.66 113.04 2iaw n ARG 80 Ca 0.08 0.47 0.14 0.00 -0.92 0.00 0.00 57.85 57.62 2iaw n ARG 80 Cb 0.54 -1.66 0.46 0.00 0.45 0.00 0.00 32.46 32.25 2iaw n ARG 80 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2iaw h ASP 81 N -1.00 0.00 -4.95 6.15 3.32 -1.94 -3.43 116.42 114.56 2iaw h ASP 81 Ca -0.33 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.54 2iaw h ASP 81 Cb 1.19 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 2iaw h ASP 81 CO -0.20 0.00 -0.70 0.00 -1.72 0.00 0.00 179.24 176.62 2iaw s ALA 82 N -3.38 0.14 -1.20 3.45 0.00 -1.26 -5.08 121.76 114.44 2iaw s ALA 82 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 2iaw s ALA 82 Cb 0.08 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.48 2iaw s ALA 82 CO 0.56 -0.15 1.50 1.21 0.00 0.00 0.00 175.76 178.87 2iaw s ASN 83 N -1.45 6.93 0.03 0.00 3.04 -1.26 -4.28 114.94 117.95 2iaw s ASN 83 Ca -0.15 -2.67 -0.06 0.00 0.04 0.00 0.00 52.86 50.02 2iaw s ASN 83 Cb -0.10 -2.46 -0.01 0.00 -1.54 0.00 0.00 41.25 37.14 2iaw s ASN 83 CO -0.01 -0.94 0.10 0.00 -3.04 0.00 0.00 177.10 173.21 2iaw s GLN 84 N 2.62 0.54 -0.13 0.43 -2.07 -1.26 -4.40 119.66 115.39 2iaw s GLN 84 Ca 0.45 -0.65 -0.06 0.00 -1.82 0.00 0.00 55.36 53.28 2iaw s GLN 84 Cb -0.01 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 2iaw s GLN 84 CO 0.01 -0.13 0.06 -0.51 -1.32 0.00 0.00 175.29 173.40 2iaw s LEU 85 N -1.89 3.90 -0.21 2.60 1.43 0.14 -1.21 118.68 123.44 2iaw s LEU 85 Ca -0.08 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 2iaw s LEU 85 Cb -0.03 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2iaw s LEU 85 CO -0.03 0.30 0.24 -0.36 0.23 0.00 0.00 176.35 176.74 2iaw s PHE 86 N -0.42 3.37 -0.12 0.29 0.40 0.20 -0.45 117.98 121.26 2iaw s PHE 86 Ca 0.10 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2iaw s PHE 86 Cb -0.12 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.09 2iaw s PHE 86 CO 0.02 0.10 -0.13 0.08 0.70 0.00 0.00 175.22 175.99 2iaw s VAL 87 N 0.94 1.40 -0.04 -0.44 1.01 0.31 -0.93 120.40 122.65 2iaw s VAL 87 Ca 0.12 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2iaw s VAL 87 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2iaw s VAL 87 CO 0.04 0.43 1.04 0.00 0.00 0.00 0.00 175.10 176.61 2iaw s ALA 88 N 1.24 3.32 -0.07 5.51 0.00 0.46 -0.58 121.76 131.63 2iaw s ALA 88 Ca -0.02 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.48 2iaw s ALA 88 Cb -0.14 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2iaw s ALA 88 CO -0.05 -0.46 -0.11 0.34 0.00 0.00 0.00 175.76 175.47 2iaw s ASP 89 N 1.11 1.78 0.55 0.00 -1.08 0.11 -0.04 116.67 119.10 2iaw s ASP 89 Ca 0.52 -0.29 0.35 0.00 -0.52 0.00 0.00 52.55 52.61 2iaw s ASP 89 Cb -0.21 -0.81 1.61 0.00 -1.46 0.00 0.00 42.92 42.05 2iaw s ASP 89 CO 0.23 0.01 2.06 0.24 0.52 0.00 0.00 175.17 178.23 2iaw h MET 90 N 7.11 0.00 0.00 4.34 2.86 -0.12 0.06 114.93 129.19 2iaw h MET 90 Ca -0.31 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.08 2iaw h MET 90 Cb 1.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 2iaw h MET 90 CO 0.47 0.00 -1.95 0.54 1.06 0.00 0.00 176.91 177.03 2iaw n ARG 91 N -2.99 1.40 0.00 1.72 5.12 -1.26 -4.21 116.66 116.44 2iaw n ARG 91 Ca -0.00 0.02 0.08 0.00 -1.93 0.00 0.00 57.85 56.02 2iaw n ARG 91 Cb 0.23 -1.35 -0.08 0.00 -1.16 0.00 0.00 32.46 30.10 2iaw n ARG 91 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2iaw n LEU 92 N -2.65 0.86 0.00 0.55 4.77 -1.14 -0.42 117.00 118.97 2iaw n LEU 92 Ca -0.25 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2iaw n LEU 92 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2iaw n LEU 92 CO 0.26 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2iaw n GLY 93 N 1.36 1.11 3.23 -0.72 0.00 -0.10 -4.80 105.19 105.26 2iaw n GLY 93 Ca 0.03 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2iaw n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iaw s LEU 94 N 0.00 2.20 0.17 0.99 2.96 -1.26 0.06 118.68 123.79 2iaw s LEU 94 Ca 0.00 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.46 2iaw s LEU 94 Cb 0.00 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2iaw s LEU 94 CO 0.00 0.13 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.31 2iaw s LEU 95 N 0.51 2.97 -0.16 -0.68 1.43 0.25 -1.23 118.68 121.76 2iaw s LEU 95 Ca -0.14 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2iaw s LEU 95 Cb -0.17 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2iaw s LEU 95 CO 0.05 0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 175.90 2iaw s VAL 96 N -1.65 2.63 -0.10 -1.59 1.01 -0.38 -0.53 120.40 119.79 2iaw s VAL 96 Ca 0.24 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2iaw s VAL 96 Cb -0.09 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2iaw s VAL 96 CO 0.15 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.85 2iaw s VAL 97 N 0.90 2.20 0.47 2.92 1.01 0.40 -1.09 120.40 127.22 2iaw s VAL 97 Ca -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2iaw s VAL 97 Cb -0.15 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2iaw s VAL 97 CO -0.02 0.56 0.73 -1.10 0.00 0.00 0.00 175.10 175.27 2iaw s GLN 98 N 0.25 3.17 0.53 2.72 -1.52 -0.14 -0.68 119.66 123.98 2iaw s GLN 98 Ca -0.15 -0.24 0.35 0.00 -1.95 0.00 0.00 55.36 53.36 2iaw s GLN 98 Cb -0.17 -2.47 1.57 0.00 -0.22 0.00 0.00 33.01 31.72 2iaw s GLN 98 CO 0.08 -0.31 2.03 1.79 -0.25 0.00 0.00 175.29 178.63 2iaw h THR 99 N 0.28 0.00 -0.01 -0.19 1.35 -1.88 0.81 112.91 113.27 2iaw h THR 99 Ca -0.47 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2iaw h THR 99 Cb 1.24 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2iaw h THR 99 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 2iaw n ASP 100 N -2.93 0.36 0.00 5.36 5.68 -1.26 -4.91 116.55 118.84 2iaw n ASP 100 Ca -0.00 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 2iaw n ASP 100 Cb 0.22 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2iaw n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iaw n GLY 101 N 1.02 1.33 3.79 6.12 0.00 0.28 -5.00 105.19 112.73 2iaw n GLY 101 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2iaw n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iaw s THR 102 N -2.33 3.61 0.18 2.61 -4.23 -1.26 -4.52 115.64 109.70 2iaw s THR 102 Ca 0.00 0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 61.08 2iaw s THR 102 Cb 0.00 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2iaw s THR 102 CO 0.00 -0.51 0.38 0.72 -0.54 0.00 0.00 174.62 174.67 2iaw s PHE 103 N -2.54 0.17 0.05 3.99 -0.71 -1.26 -0.97 117.98 116.71 2iaw s PHE 103 Ca 0.64 -0.53 0.03 0.00 -1.04 0.00 0.00 56.93 56.03 2iaw s PHE 103 Cb -0.17 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2iaw s PHE 103 CO 0.43 -0.80 -0.10 -1.21 -1.34 0.00 0.00 175.22 172.19 2iaw s GLU 104 N -3.93 0.63 -0.18 1.99 0.41 -0.25 -4.98 118.70 112.39 2iaw s GLU 104 Ca 0.13 -0.80 -0.15 0.00 -0.41 0.00 0.00 54.97 53.74 2iaw s GLU 104 Cb 0.01 -0.49 -0.04 0.00 -1.78 0.00 0.00 34.13 31.83 2iaw s GLU 104 CO -0.01 0.10 0.35 -2.00 -0.49 0.00 0.00 175.26 173.21 2iaw s GLU 105 N -1.56 4.21 0.04 1.61 2.12 -1.26 -1.25 118.70 122.60 2iaw s GLU 105 Ca -0.07 0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.29 2iaw s GLU 105 Cb -0.10 -3.49 -0.33 0.00 0.26 0.00 0.00 34.13 30.47 2iaw s GLU 105 CO 0.01 0.08 1.02 0.82 -0.54 0.00 0.00 175.26 176.65 2iaw h ILE 106 N 4.89 1.33 -2.56 -3.70 1.08 -1.49 -3.47 117.51 113.58 2iaw h ILE 106 Ca -0.38 -2.80 -0.10 0.00 -0.39 0.00 0.00 64.86 61.18 2iaw h ILE 106 Cb 1.16 3.00 -0.27 0.00 -3.07 0.00 0.00 36.82 37.64 2iaw h ILE 106 CO 0.73 0.84 -0.34 0.00 -0.69 0.00 0.00 178.15 178.69 2iaw s ALA 107 N -2.62 -1.12 -0.14 1.87 0.00 -1.26 -4.96 121.76 113.53 2iaw s ALA 107 Ca -0.08 1.52 0.19 0.00 0.00 0.00 0.00 51.96 53.59 2iaw s ALA 107 Cb 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.87 2iaw s ALA 107 CO 0.92 -0.55 0.78 1.63 0.00 0.00 0.00 175.76 178.55 2iaw n LYS 108 N 4.91 0.63 -4.12 0.00 5.02 -1.26 -4.73 118.16 118.60 2iaw n LYS 108 Ca -0.15 0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 2iaw n LYS 108 Cb 0.52 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 2iaw n LYS 108 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2iaw s LYS 109 N -3.06 0.69 0.33 1.97 1.02 -1.26 -0.86 119.74 118.58 2iaw s LYS 109 Ca -0.03 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.75 2iaw s LYS 109 Cb 0.09 -0.06 0.07 0.00 -0.52 0.00 0.00 37.83 37.41 2iaw s LYS 109 CO 0.82 -0.04 0.46 -0.40 -0.92 0.00 0.00 175.35 175.26 2iaw n ASP 110 N 0.27 0.46 0.15 2.83 5.68 0.11 -4.75 116.55 121.30 2iaw n ASP 110 Ca -0.15 -1.42 0.12 0.00 -0.50 0.00 0.00 54.79 52.83 2iaw n ASP 110 Cb 0.60 -0.31 0.55 0.00 -1.14 0.00 0.00 41.12 40.81 2iaw n ASP 110 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2iaw n SER 111 N -3.05 0.63 -0.94 -1.12 3.41 0.44 -0.98 113.62 112.01 2iaw n SER 111 Ca 0.07 0.72 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 2iaw n SER 111 Cb 0.25 -0.83 0.22 0.00 -0.26 0.00 0.00 64.21 63.59 2iaw n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iaw n GLU 112 N -2.26 2.71 -0.92 4.33 -0.58 -1.26 -4.94 120.64 117.71 2iaw n GLU 112 Ca 0.00 -2.27 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 2iaw n GLU 112 Cb 0.13 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2iaw n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2iaw n GLY 113 N 1.01 0.66 3.78 0.62 0.00 -0.16 -5.04 105.19 106.07 2iaw n GLY 113 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2iaw n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2iaw s ARG 114 N -0.08 4.45 0.40 1.61 3.52 -1.26 -4.74 118.95 122.86 2iaw s ARG 114 Ca 0.00 1.43 -0.27 0.00 -0.13 0.00 0.00 55.73 56.76 2iaw s ARG 114 Cb 0.00 -2.75 -0.10 0.00 -1.56 0.00 0.00 34.95 30.54 2iaw s ARG 114 CO 0.00 0.13 1.47 1.03 -0.81 0.00 0.00 175.30 177.12 2iaw s ARG 115 N -2.15 3.98 0.47 5.12 3.00 -1.26 0.10 118.95 128.21 2iaw s ARG 115 Ca 0.52 2.52 -0.22 0.00 0.00 0.00 0.00 55.73 58.55 2iaw s ARG 115 Cb -0.21 -2.87 -0.07 0.00 0.00 0.00 0.00 34.95 31.79 2iaw s ARG 115 CO 0.26 -0.62 1.13 1.41 0.00 0.00 0.00 175.30 177.49 2iaw s MET 116 N -2.20 3.73 0.21 3.54 -2.45 -0.03 -4.69 119.30 117.41 2iaw s MET 116 Ca 0.55 1.67 0.00 0.00 -1.25 0.00 0.00 55.69 56.67 2iaw s MET 116 Cb -0.46 -2.32 -0.04 0.00 1.25 0.00 0.00 34.83 33.27 2iaw s MET 116 CO 0.61 -0.55 0.39 -0.65 1.05 0.00 0.00 175.02 175.87 2iaw s GLN 117 N -2.83 3.50 0.36 4.11 -0.21 -1.26 -1.06 119.66 122.26 2iaw s GLN 117 Ca 0.65 -0.41 -0.28 0.00 0.02 0.00 0.00 55.36 55.34 2iaw s GLN 117 Cb -0.26 -2.85 -0.10 0.00 1.00 0.00 0.00 33.01 30.81 2iaw s GLN 117 CO 0.31 0.40 1.32 0.20 -2.12 0.00 0.00 175.29 175.40 2iaw s GLY 118 N -3.32 2.97 0.24 3.09 0.00 0.39 -4.48 107.32 106.20 2iaw s GLY 118 Ca 0.38 1.29 0.09 0.00 0.00 0.00 0.00 44.72 46.48 2iaw s GLY 118 CO 0.30 1.92 -0.05 0.00 0.00 0.00 0.00 173.10 175.27 2iaw n ASN 120 N -0.55 1.07 -3.99 0.00 2.85 -0.02 -2.12 115.26 112.50 2iaw n ASN 120 Ca -0.08 0.03 -0.09 0.00 -0.11 0.00 0.00 54.58 54.32 2iaw n ASN 120 Cb 0.58 -0.09 -0.08 0.00 1.24 0.00 0.00 39.78 41.44 2iaw n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2iaw s ASP 121 N -5.06 0.10 0.14 1.20 -1.08 -1.25 -2.25 116.67 108.47 2iaw s ASP 121 Ca -0.05 -0.92 -0.14 0.00 -0.52 0.00 0.00 52.55 50.92 2iaw s ASP 121 Cb 0.02 0.40 0.02 0.00 -1.46 0.00 0.00 42.92 41.90 2iaw s ASP 121 CO 0.06 -0.85 0.38 0.00 0.52 0.00 0.00 175.17 175.28 2iaw s ALA 123 N -3.86 -0.70 0.13 0.00 0.00 0.34 -4.75 121.76 112.93 2iaw s ALA 123 Ca 0.07 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 2iaw s ALA 123 Cb 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 2iaw s ALA 123 CO -0.08 -0.51 0.89 -0.06 0.00 0.00 0.00 175.76 176.01 2iaw s PHE 124 N 2.05 3.85 0.73 0.00 0.08 -1.26 -0.82 117.98 122.60 2iaw s PHE 124 Ca -0.03 1.74 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 2iaw s PHE 124 Cb -0.11 -2.96 0.11 0.00 -0.57 0.00 0.00 43.02 39.49 2iaw s PHE 124 CO -0.10 0.31 1.02 0.16 -0.10 0.00 0.00 175.22 176.51 2iaw s ASP 125 N -0.40 4.41 0.23 1.36 1.47 0.08 -4.58 116.67 119.25 2iaw s ASP 125 Ca 0.43 -0.02 0.24 0.00 1.18 0.00 0.00 52.55 54.38 2iaw s ASP 125 Cb -0.23 -0.45 0.92 0.00 -0.34 0.00 0.00 42.92 42.82 2iaw s ASP 125 CO 0.28 -1.83 1.73 -1.22 0.68 0.00 0.00 175.17 174.82 2iaw n TYR 126 N -2.92 0.83 1.59 2.11 4.01 -1.26 -1.30 117.16 120.21 2iaw n TYR 126 Ca 0.12 0.29 0.15 0.00 -0.16 0.00 0.00 57.90 58.31 2iaw n TYR 126 Cb 0.60 -0.98 0.76 0.00 -0.31 0.00 0.00 39.34 39.42 2iaw n TYR 126 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2iaw n GLU 127 N -2.23 0.71 -0.56 -0.72 1.02 -1.26 -4.93 120.64 112.67 2iaw n GLU 127 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2iaw n GLU 127 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2iaw n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iaw n GLY 128 N 1.20 0.74 3.83 0.62 0.00 -0.42 -4.88 105.19 106.28 2iaw n GLY 128 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2iaw n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iaw s ASN 129 N -2.30 6.97 -0.28 1.61 0.01 -1.26 -4.42 114.94 115.28 2iaw s ASN 129 Ca 0.00 1.32 -0.03 0.00 -0.71 0.00 0.00 52.86 53.44 2iaw s ASN 129 Cb 0.00 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.31 2iaw s ASN 129 CO 0.00 0.03 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.40 2iaw s LEU 130 N -2.05 3.62 -0.08 0.60 2.96 -0.33 -0.74 118.68 122.66 2iaw s LEU 130 Ca 0.42 -1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 2iaw s LEU 130 Cb -0.16 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2iaw s LEU 130 CO 0.20 -0.20 0.41 0.26 -1.32 0.00 0.00 176.35 175.71 2iaw s TRP 131 N 1.33 3.58 -0.01 5.38 0.52 -0.00 -0.29 118.94 129.45 2iaw s TRP 131 Ca -0.01 0.87 0.01 0.00 0.02 0.00 0.00 56.10 56.98 2iaw s TRP 131 Cb -0.18 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.73 2iaw s TRP 131 CO -0.02 0.36 -0.04 0.42 0.02 0.00 0.00 176.95 177.69 2iaw s ILE 132 N -0.03 0.37 0.13 2.03 1.01 -0.16 -0.50 121.20 124.05 2iaw s ILE 132 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2iaw s ILE 132 Cb -0.15 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.91 2iaw s ILE 132 CO 0.10 0.13 0.41 0.42 0.00 0.00 0.00 174.94 176.00 2iaw s THR 133 N 0.19 5.10 -0.43 2.92 -4.23 -0.40 -0.86 115.64 117.93 2iaw s THR 133 Ca -0.02 0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 2iaw s THR 133 Cb -0.05 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.34 2iaw s THR 133 CO -0.00 0.11 0.38 0.00 -0.54 0.00 0.00 174.62 174.57 2iaw n ALA 134 N 0.36 2.85 0.92 3.99 0.00 0.70 -0.84 120.51 128.50 2iaw n ALA 134 Ca -0.04 -3.26 0.14 0.00 0.00 0.00 0.00 53.44 50.28 2iaw n ALA 134 Cb 0.52 -0.78 0.53 0.00 0.00 0.00 0.00 19.45 19.72 2iaw n ALA 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2iaw n PRO 135 N 2.56 0.05 -2.34 0.00 -0.04 -1.21 -1.06 135.00 132.96 2iaw n PRO 135 Ca 0.28 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.53 2iaw n PRO 135 Cb 0.48 -1.56 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2iaw n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iaw s ALA 136 N -3.02 3.32 1.00 0.55 0.00 -1.04 -0.74 121.76 121.82 2iaw s ALA 136 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2iaw s ALA 136 Cb 0.18 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2iaw s ALA 136 CO 0.57 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2iaw n GLY 137 N -2.73 -0.17 3.61 0.00 0.00 -0.01 -3.94 105.19 101.95 2iaw n GLY 137 Ca 0.07 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2iaw n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2iaw n GLU 138 N 0.00 1.23 -0.93 1.61 1.02 -1.26 -0.46 120.64 121.85 2iaw n GLU 138 Ca 0.00 0.45 -0.31 0.00 -0.02 0.00 0.00 57.16 57.28 2iaw n GLU 138 Cb 0.00 -2.08 0.14 0.00 -0.02 0.00 0.00 31.44 29.48 2iaw n GLU 138 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2iaw s VAL 139 N -1.36 2.56 0.49 2.62 -7.23 -0.22 -4.56 120.40 112.69 2iaw s VAL 139 Ca 0.67 0.18 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 2iaw s VAL 139 Cb -0.51 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 2iaw s VAL 139 CO 0.54 -0.24 0.50 0.00 -0.31 0.00 0.00 175.10 175.60 2iaw n ALA 140 N -4.01 -1.40 1.59 1.32 0.00 0.44 -1.86 120.51 116.59 2iaw n ALA 140 Ca 0.10 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.67 2iaw n ALA 140 Cb 0.53 -1.78 0.28 0.00 0.00 0.00 0.00 19.45 18.48 2iaw n ALA 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2iaw n PRO 141 N 0.38 1.34 -1.70 0.00 -0.04 -1.26 -4.99 135.00 128.73 2iaw n PRO 141 Ca 0.11 -0.52 -0.40 0.00 -0.04 0.00 0.00 63.50 62.65 2iaw n PRO 141 Cb 0.43 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2iaw n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iaw n ALA 142 N -0.18 1.22 -1.70 0.55 0.00 -0.78 -4.90 120.51 114.72 2iaw n ALA 142 Ca 0.10 0.18 -0.44 0.00 0.00 0.00 0.00 53.44 53.29 2iaw n ALA 142 Cb 0.16 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 2iaw n ALA 142 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2iaw n ASP 143 N -0.30 3.20 -4.71 0.00 2.03 -1.26 -4.86 116.55 110.64 2iaw n ASP 143 Ca 0.09 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 56.12 2iaw n ASP 143 Cb 0.42 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 2iaw n ASP 143 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2iaw s TYR 144 N 0.03 3.05 0.07 -0.67 5.04 -1.26 -4.79 117.35 118.81 2iaw s TYR 144 Ca 0.67 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 56.01 2iaw s TYR 144 Cb -0.59 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 37.84 2iaw s TYR 144 CO 0.48 -3.07 -0.03 0.95 -1.34 0.00 0.00 175.55 172.55 2iaw s THR 145 N 1.34 0.30 0.03 4.34 -4.23 -1.26 -5.02 115.64 111.14 2iaw s THR 145 Ca 0.68 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 2iaw s THR 145 Cb -0.40 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2iaw s THR 145 CO 0.31 -0.91 0.04 0.00 -0.54 0.00 0.00 174.62 173.51 2iaw s ARG 146 N -3.92 0.47 -0.36 3.99 1.70 -1.26 -0.83 118.95 118.74 2iaw s ARG 146 Ca 0.10 -0.72 -0.01 0.00 -0.47 0.00 0.00 55.73 54.63 2iaw s ARG 146 Cb 0.07 0.18 0.25 0.00 -0.57 0.00 0.00 34.95 34.88 2iaw s ARG 146 CO -0.08 -0.10 2.01 -1.13 -1.08 0.00 0.00 175.30 174.92 2iaw n SER 147 N 1.07 6.58 0.13 -2.89 3.41 0.08 -4.41 113.62 117.58 2iaw n SER 147 Ca -0.21 -3.16 -0.00 0.00 -0.26 0.00 0.00 58.87 55.24 2iaw n SER 147 Cb 0.57 -1.04 0.12 0.00 -0.26 0.00 0.00 64.21 63.60 2iaw n SER 147 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2iaw h MET 148 N 1.53 0.00 0.00 4.33 2.86 -1.89 -1.87 114.93 119.88 2iaw h MET 148 Ca 0.33 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.67 2iaw h MET 148 Cb 0.92 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2iaw h MET 148 CO 0.87 0.63 -2.16 1.04 1.06 0.00 0.00 176.91 178.35 2iaw n GLN 149 N -3.52 0.81 -4.58 1.72 6.02 -1.26 -4.89 117.38 111.67 2iaw n GLN 149 Ca -0.00 0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 2iaw n GLN 149 Cb 0.69 -1.42 -0.13 0.00 1.02 0.00 0.00 30.24 30.40 2iaw n GLN 149 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2iaw s GLU 150 N -2.41 1.67 -1.25 -1.09 0.41 -1.26 -5.06 118.70 109.71 2iaw s GLU 150 Ca -0.21 -1.20 -0.15 0.00 -0.41 0.00 0.00 54.97 53.00 2iaw s GLU 150 Cb 0.06 -1.99 0.13 0.00 -1.78 0.00 0.00 34.13 30.55 2iaw s GLU 150 CO 0.54 0.49 1.58 1.63 -0.49 0.00 0.00 175.26 179.01 2iaw n LYS 151 N 1.26 3.31 -0.07 1.61 5.02 -1.26 -4.47 118.16 123.54 2iaw n LYS 151 Ca -0.17 -3.61 0.02 0.00 -2.02 0.00 0.00 58.31 52.54 2iaw n LYS 151 Cb 0.52 -3.21 0.03 0.00 -0.02 0.00 0.00 35.03 32.36 2iaw n LYS 151 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2iaw n PHE 152 N 6.60 0.00 -2.59 2.13 1.16 -1.10 -4.17 117.46 119.49 2iaw n PHE 152 Ca 0.42 -0.44 -0.37 0.00 -1.87 0.00 0.00 57.45 55.18 2iaw n PHE 152 Cb 0.44 -0.06 -0.05 0.00 -1.61 0.00 0.00 39.48 38.20 2iaw n PHE 152 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2iaw s GLY 153 N -1.20 2.80 0.32 4.97 0.00 0.28 -4.65 107.32 109.83 2iaw s GLY 153 Ca 0.07 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.55 2iaw s GLY 153 CO 0.01 1.15 -0.02 -0.56 0.00 0.00 0.00 173.10 173.68 2iaw s SER 154 N -1.47 2.92 -0.05 1.64 0.01 -0.22 -1.13 113.70 115.40 2iaw s SER 154 Ca 0.54 -1.27 0.07 0.00 1.31 0.00 0.00 55.95 56.60 2iaw s SER 154 Cb -0.23 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 2iaw s SER 154 CO 0.29 -0.42 -0.25 -0.63 0.41 0.00 0.00 173.24 172.64 2iaw s ILE 155 N -3.00 2.08 0.27 1.44 -1.09 -0.14 -0.21 121.20 120.54 2iaw s ILE 155 Ca 0.32 -1.07 0.10 0.00 -2.23 0.00 0.00 60.65 57.77 2iaw s ILE 155 Cb 0.06 -1.74 -0.05 0.00 -1.58 0.00 0.00 42.46 39.15 2iaw s ILE 155 CO 0.14 0.57 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.97 2iaw s TYR 156 N -0.30 2.10 -0.15 3.97 1.51 -0.04 -0.28 117.35 124.17 2iaw s TYR 156 Ca 0.00 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.59 2iaw s TYR 156 Cb -0.13 -1.01 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 2iaw s TYR 156 CO 0.02 0.54 -0.09 0.00 -1.11 0.00 0.00 175.55 174.91 2iaw s PHE 158 N 1.58 3.22 0.49 0.00 5.36 0.60 -1.34 117.98 127.89 2iaw s PHE 158 Ca 0.03 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 2iaw s PHE 158 Cb -0.14 -2.60 0.02 0.00 -0.34 0.00 0.00 43.02 39.96 2iaw s PHE 158 CO -0.09 -0.42 0.69 0.95 -1.46 0.00 0.00 175.22 174.90 2iaw s THR 159 N 1.90 3.10 0.56 0.12 -4.23 -0.31 -1.19 115.64 115.59 2iaw s THR 159 Ca 0.10 -0.72 0.29 0.00 -1.18 0.00 0.00 61.69 60.18 2iaw s THR 159 Cb -0.17 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.89 2iaw s THR 159 CO 0.11 -0.08 2.22 0.71 -0.54 0.00 0.00 174.62 177.04 2iaw h THR 160 N 0.30 0.54 -0.44 3.99 1.35 -1.90 0.56 112.91 117.32 2iaw h THR 160 Ca -0.43 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2iaw h THR 160 Cb 1.28 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2iaw h THR 160 CO 0.52 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 2iaw n ASP 161 N -3.82 3.39 -0.22 5.36 5.75 -1.26 -4.93 116.55 120.82 2iaw n ASP 161 Ca -0.03 -2.30 -0.02 0.00 -0.01 0.00 0.00 54.79 52.43 2iaw n ASP 161 Cb 0.11 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 39.72 2iaw n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iaw n GLY 162 N 0.87 0.39 3.85 6.12 0.00 0.19 -5.04 105.19 111.57 2iaw n GLY 162 Ca 0.18 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2iaw n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iaw s GLN 163 N -3.33 3.65 -0.57 1.61 -1.52 -1.26 -4.86 119.66 113.38 2iaw s GLN 163 Ca 0.00 -0.04 -0.12 0.00 -1.95 0.00 0.00 55.36 53.25 2iaw s GLN 163 Cb 0.00 -3.24 0.14 0.00 -0.22 0.00 0.00 33.01 29.70 2iaw s GLN 163 CO 0.00 0.68 0.48 1.41 -0.25 0.00 0.00 175.29 177.61 2iaw s MET 164 N -0.78 2.87 -0.27 2.91 -2.45 -1.26 -1.16 119.30 119.15 2iaw s MET 164 Ca 0.16 -1.91 -0.09 0.00 -1.25 0.00 0.00 55.69 52.59 2iaw s MET 164 Cb -0.13 -4.14 -0.03 0.00 1.25 0.00 0.00 34.83 31.78 2iaw s MET 164 CO 0.05 -1.26 0.13 0.42 1.05 0.00 0.00 175.02 175.40 2iaw s ILE 165 N 1.16 4.72 0.01 10.11 1.01 -0.45 -0.42 121.20 137.35 2iaw s ILE 165 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2iaw s ILE 165 Cb -0.25 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 2iaw s ILE 165 CO -0.01 0.25 1.43 -1.58 0.00 0.00 0.00 174.94 175.03 2iaw s GLN 166 N 1.67 4.27 -0.01 2.79 0.74 -1.26 -0.81 119.66 127.05 2iaw s GLN 166 Ca 0.06 2.01 0.09 0.00 0.05 0.00 0.00 55.36 57.58 2iaw s GLN 166 Cb -0.16 -3.56 -0.14 0.00 1.10 0.00 0.00 33.01 30.25 2iaw s GLN 166 CO 0.07 -0.59 0.25 1.33 -0.55 0.00 0.00 175.29 175.80 2iaw n VAL 167 N 4.64 0.00 -3.70 1.34 0.24 0.61 -4.94 118.33 116.53 2iaw n VAL 167 Ca 0.13 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 2iaw n VAL 167 Cb 0.43 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 2iaw n VAL 167 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2iaw s ASP 168 N -2.82 -0.35 0.31 -1.34 2.15 -1.10 -4.93 116.67 108.60 2iaw s ASP 168 Ca -0.02 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2iaw s ASP 168 Cb 0.06 0.64 -0.01 0.00 -0.30 0.00 0.00 42.92 43.31 2iaw s ASP 168 CO 0.39 -1.15 0.36 0.42 -0.17 0.00 0.00 175.17 175.03 2iaw s THR 169 N -3.86 0.00 -0.81 1.71 -4.23 -1.26 -0.97 115.64 106.22 2iaw s THR 169 Ca 0.08 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 2iaw s THR 169 Cb -0.03 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2iaw s THR 169 CO -0.02 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 174.67 2iaw n ALA 170 N -0.54 -0.71 -2.65 3.99 0.00 -0.73 -4.94 120.51 114.93 2iaw n ALA 170 Ca 0.03 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2iaw n ALA 170 Cb 0.62 -3.19 -0.04 0.00 0.00 0.00 0.00 19.45 16.84 2iaw n ALA 170 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2iaw s PHE 171 N -3.12 3.48 -0.98 0.00 0.08 -0.29 -4.76 117.98 112.40 2iaw s PHE 171 Ca 0.30 0.50 -0.13 0.00 0.12 0.00 0.00 56.93 57.72 2iaw s PHE 171 Cb -0.13 -1.98 0.22 0.00 -0.57 0.00 0.00 43.02 40.55 2iaw s PHE 171 CO 0.37 0.32 1.01 -1.14 -0.10 0.00 0.00 175.22 175.68 2iaw s GLN 172 N -3.25 3.84 -0.51 0.44 0.74 -1.26 -0.56 119.66 119.09 2iaw s GLN 172 Ca 0.41 -2.58 -0.01 0.00 0.05 0.00 0.00 55.36 53.23 2iaw s GLN 172 Cb -0.11 -4.63 -0.02 0.00 1.10 0.00 0.00 33.01 29.36 2iaw s GLN 172 CO 0.28 -1.42 0.47 0.34 -0.55 0.00 0.00 175.29 174.41 2iaw n PHE 173 N 4.24 -1.67 -2.15 1.67 -0.00 -0.70 -3.97 117.46 114.87 2iaw n PHE 173 Ca 0.21 0.62 -0.40 0.00 -0.00 0.00 0.00 57.45 57.88 2iaw n PHE 173 Cb 0.45 -3.22 -0.02 0.00 -0.00 0.00 0.00 39.48 36.68 2iaw n PHE 173 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2iaw s PRO 174 N -3.32 4.32 0.00 -7.13 0.04 -1.26 -1.56 135.00 126.10 2iaw s PRO 174 Ca 0.10 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2iaw s PRO 174 Cb -0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2iaw s PRO 174 CO 0.45 -0.19 0.00 -3.47 0.04 0.00 0.00 177.00 173.83 2iaw n ASP 175 N 0.72 0.00 -4.76 6.66 -0.08 -0.22 -3.91 116.55 114.95 2iaw n ASP 175 Ca 0.01 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2iaw n ASP 175 Cb 0.43 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.97 2iaw n ASP 175 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2iaw s GLY 176 N -0.62 1.77 -0.06 0.27 0.00 -0.55 -4.09 107.32 104.04 2iaw s GLY 176 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 44.72 44.83 2iaw s GLY 176 CO 0.00 0.70 0.53 -1.50 0.00 0.00 0.00 173.10 172.83 2iaw s ILE 177 N -2.78 0.02 0.08 0.90 2.07 -1.26 -0.97 121.20 119.26 2iaw s ILE 177 Ca 0.63 -0.17 -0.17 0.00 -1.41 0.00 0.00 60.65 59.53 2iaw s ILE 177 Cb -0.18 -0.83 0.03 0.00 0.13 0.00 0.00 42.46 41.61 2iaw s ILE 177 CO 0.54 -0.09 0.40 0.00 -1.91 0.00 0.00 174.94 173.87 2iaw s ALA 178 N -1.01 -0.95 -0.08 1.50 0.00 -0.50 -4.66 121.76 116.05 2iaw s ALA 178 Ca -0.10 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2iaw s ALA 178 Cb -0.02 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2iaw s ALA 178 CO 0.07 -0.54 -0.22 0.08 0.00 0.00 0.00 175.76 175.14 2iaw s VAL 179 N -3.13 2.28 -0.12 0.00 1.01 -1.26 -0.95 120.40 118.23 2iaw s VAL 179 Ca -0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2iaw s VAL 179 Cb 0.01 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2iaw s VAL 179 CO -0.07 0.56 0.12 -0.60 0.00 0.00 0.00 175.10 175.10 2iaw s ARG 180 N 0.07 3.46 0.19 2.72 3.52 0.23 -4.96 118.95 124.19 2iaw s ARG 180 Ca -0.10 -0.19 0.10 0.00 -0.13 0.00 0.00 55.73 55.42 2iaw s ARG 180 Cb -0.16 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2iaw s ARG 180 CO 0.06 0.70 -0.17 -1.01 -0.81 0.00 0.00 175.30 174.07 2iaw s HIS 181 N -0.83 2.45 0.77 5.12 3.76 -1.26 -0.91 115.29 124.39 2iaw s HIS 181 Ca 0.14 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2iaw s HIS 181 Cb -0.12 -1.20 0.05 0.00 1.11 0.00 0.00 32.58 32.43 2iaw s HIS 181 CO 0.03 0.52 1.09 -1.64 -0.85 0.00 0.00 174.74 173.89 2iaw s MET 182 N -2.78 2.30 0.57 1.40 1.00 0.85 -4.89 119.30 117.74 2iaw s MET 182 Ca 0.23 1.18 0.27 0.00 0.00 0.00 0.00 55.69 57.37 2iaw s MET 182 Cb -0.08 -1.90 1.52 0.00 0.00 0.00 0.00 34.83 34.37 2iaw s MET 182 CO 0.12 -1.62 2.02 -0.91 0.00 0.00 0.00 175.02 174.63 2iaw h ASN 183 N -1.06 0.00 -0.04 3.03 2.35 -2.00 0.30 115.58 118.15 2iaw h ASN 183 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2iaw h ASN 183 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2iaw h ASN 183 CO 0.52 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.40 2iaw n ASP 184 N -3.97 0.75 0.00 5.81 5.68 -1.26 -4.89 116.55 118.67 2iaw n ASP 184 Ca 0.06 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 2iaw n ASP 184 Cb 0.49 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2iaw n ASP 184 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iaw n GLY 185 N 1.01 0.50 3.71 6.12 0.00 0.10 -5.06 105.19 111.59 2iaw n GLY 185 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2iaw n GLY 185 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2iaw s ARG 186 N -0.88 4.47 0.23 1.61 3.52 -1.25 -4.69 118.95 121.97 2iaw s ARG 186 Ca 0.00 1.70 -0.30 0.00 -0.13 0.00 0.00 55.73 57.00 2iaw s ARG 186 Cb 0.00 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2iaw s ARG 186 CO 0.00 -0.19 1.26 -2.14 -0.81 0.00 0.00 175.30 173.42 2iaw s PRO 187 N 0.92 4.43 0.00 5.12 0.02 -1.26 -0.11 135.00 144.12 2iaw s PRO 187 Ca 0.57 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.61 2iaw s PRO 187 Cb -0.28 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2iaw s PRO 187 CO 0.29 -0.15 0.00 2.48 -0.33 0.00 0.00 177.00 179.29 2iaw n TYR 188 N 2.04 0.00 -3.96 6.54 4.11 -0.09 -4.77 117.16 121.03 2iaw n TYR 188 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.81 2iaw n TYR 188 Cb 0.43 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.63 2iaw n TYR 188 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 2iaw s GLN 189 N 0.00 0.16 -0.13 -3.48 0.74 -1.02 -1.35 119.66 114.58 2iaw s GLN 189 Ca 0.00 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 2iaw s GLN 189 Cb 0.00 -0.11 -0.03 0.00 1.10 0.00 0.00 33.01 33.97 2iaw s GLN 189 CO 0.00 0.03 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.53 2iaw s LEU 190 N -0.20 3.13 -0.08 3.68 2.96 -0.51 -0.60 118.68 127.06 2iaw s LEU 190 Ca -0.01 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2iaw s LEU 190 Cb -0.02 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2iaw s LEU 190 CO -0.00 0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.48 2iaw s ILE 191 N 0.02 3.00 -0.06 6.68 -1.09 -0.12 -0.93 121.20 128.70 2iaw s ILE 191 Ca -0.01 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 2iaw s ILE 191 Cb -0.14 -2.20 0.02 0.00 -1.58 0.00 0.00 42.46 38.56 2iaw s ILE 191 CO 0.03 0.57 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.55 2iaw s VAL 192 N -0.31 0.72 0.11 2.92 1.01 0.88 -1.41 120.40 124.32 2iaw s VAL 192 Ca 0.03 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 2iaw s VAL 192 Cb -0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 2iaw s VAL 192 CO 0.03 0.28 0.81 0.00 0.00 0.00 0.00 175.10 176.21 2iaw s ALA 193 N 1.04 3.38 -0.33 5.51 0.00 -0.15 0.17 121.76 131.38 2iaw s ALA 193 Ca -0.09 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2iaw s ALA 193 Cb -0.14 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.02 2iaw s ALA 193 CO -0.00 0.14 0.05 -2.00 0.00 0.00 0.00 175.76 173.95 2iaw s GLU 194 N -0.50 2.10 0.03 0.00 2.12 -0.54 -1.05 118.70 120.86 2iaw s GLU 194 Ca 0.39 -1.55 -0.15 0.00 0.36 0.00 0.00 54.97 54.02 2iaw s GLU 194 Cb -0.22 -3.26 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 2iaw s GLU 194 CO 0.26 -0.80 1.23 1.15 -0.54 0.00 0.00 175.26 176.56 2iaw h THR 195 N 6.50 0.00 0.00 -1.70 2.02 -1.41 -3.12 112.91 115.20 2iaw h THR 195 Ca -0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2iaw h THR 195 Cb 1.05 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2iaw h THR 195 CO 0.57 0.00 -0.01 1.55 0.37 0.00 0.00 175.52 178.00 2iaw h PRO 196 N -0.46 0.00 -0.01 6.66 0.13 -1.75 -2.43 132.00 134.13 2iaw h PRO 196 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2iaw h PRO 196 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2iaw h PRO 196 CO 0.01 0.01 -0.01 0.25 -0.23 0.00 0.00 178.00 178.03 2iaw n THR 197 N -3.11 0.00 -2.81 1.56 -2.24 -1.18 -4.92 114.28 101.58 2iaw n THR 197 Ca -0.00 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 2iaw n THR 197 Cb 0.25 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2iaw n THR 197 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2iaw n LYS 198 N -0.23 -3.72 -4.39 -0.78 4.76 -0.92 -4.97 118.16 107.91 2iaw n LYS 198 Ca 0.20 0.93 -0.25 0.00 -2.87 0.00 0.00 58.31 56.32 2iaw n LYS 198 Cb 0.28 -5.72 -0.11 0.00 -1.84 0.00 0.00 35.03 27.63 2iaw n LYS 198 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2iaw s LYS 199 N -5.48 1.44 -0.12 1.97 1.02 -1.22 -1.06 119.74 116.29 2iaw s LYS 199 Ca 0.20 -1.50 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 2iaw s LYS 199 Cb -0.09 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 2iaw s LYS 199 CO 0.24 0.34 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.41 2iaw s LEU 200 N -2.74 2.91 0.04 3.17 1.43 -0.25 -1.47 118.68 121.77 2iaw s LEU 200 Ca 0.20 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2iaw s LEU 200 Cb -0.07 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2iaw s LEU 200 CO 0.09 0.20 0.02 0.26 0.23 0.00 0.00 176.35 177.16 2iaw s TRP 201 N 0.13 3.10 0.18 0.29 0.52 0.13 -0.70 118.94 122.59 2iaw s TRP 201 Ca -0.05 0.07 0.11 0.00 0.02 0.00 0.00 56.10 56.25 2iaw s TRP 201 Cb -0.14 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2iaw s TRP 201 CO 0.04 0.49 -0.24 -1.54 0.02 0.00 0.00 176.95 175.72 2iaw s SER 202 N -1.92 3.37 0.09 2.95 1.04 0.48 -0.08 113.70 119.62 2iaw s SER 202 Ca 0.23 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2iaw s SER 202 Cb -0.12 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2iaw s SER 202 CO 0.15 0.12 -0.06 -0.31 0.98 0.00 0.00 173.24 174.12 2iaw s TYR 203 N -1.61 0.82 -0.07 5.02 1.51 -0.11 -1.33 117.35 121.59 2iaw s TYR 203 Ca 0.20 -0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 55.13 2iaw s TYR 203 Cb -0.08 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2iaw s TYR 203 CO 0.09 -0.17 0.68 -0.51 -1.11 0.00 0.00 175.55 174.53 2iaw s ASP 204 N -2.89 6.97 -0.35 2.29 1.01 0.47 -1.42 116.67 122.74 2iaw s ASP 204 Ca 0.09 1.16 -0.20 0.00 0.71 0.00 0.00 52.55 54.31 2iaw s ASP 204 Cb 0.04 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.57 2iaw s ASP 204 CO -0.05 -0.10 0.63 -0.63 0.21 0.00 0.00 175.17 175.24 2iaw s ILE 205 N 0.73 4.89 -0.43 0.77 1.01 -0.46 -1.51 121.20 126.20 2iaw s ILE 205 Ca 0.36 0.59 0.23 0.00 0.00 0.00 0.00 60.65 61.83 2iaw s ILE 205 Cb -0.18 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 2iaw s ILE 205 CO 0.18 -0.31 0.96 0.29 0.00 0.00 0.00 174.94 176.06 2iaw n LYS 206 N 6.04 0.42 0.00 2.79 4.76 0.70 -4.57 118.16 128.31 2iaw n LYS 206 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2iaw n LYS 206 Cb 0.49 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2iaw n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2iaw n GLY 207 N 1.30 -0.46 3.67 0.72 0.00 -1.18 -4.98 105.19 104.27 2iaw n GLY 207 Ca 0.01 -1.11 -0.50 0.00 0.00 0.00 0.00 46.02 44.41 2iaw n GLY 207 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2iaw n PRO 208 N -0.49 1.83 -1.58 1.61 -0.02 -1.26 -0.95 135.00 134.14 2iaw n PRO 208 Ca 0.00 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 2iaw n PRO 208 Cb 0.00 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 30.97 2iaw n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iaw n ALA 209 N 4.84 -0.31 -3.99 3.55 0.00 -1.26 -4.95 120.51 118.40 2iaw n ALA 209 Ca 0.21 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.66 2iaw n ALA 209 Cb 0.25 -2.01 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 2iaw n ALA 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2iaw s LYS 210 N -3.70 1.70 0.05 0.00 3.01 -0.12 -4.95 119.74 115.73 2iaw s LYS 210 Ca 0.00 -1.35 0.09 0.00 -1.01 0.00 0.00 55.97 53.69 2iaw s LYS 210 Cb 0.00 -2.80 -0.03 0.00 -1.01 0.00 0.00 37.83 33.99 2iaw s LYS 210 CO 0.00 -0.72 -0.24 0.96 0.51 0.00 0.00 175.35 175.87 2iaw s ILE 211 N 1.18 1.93 0.27 2.17 -4.36 -1.26 -0.21 121.20 120.92 2iaw s ILE 211 Ca -0.01 -1.34 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2iaw s ILE 211 Cb -0.19 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 2iaw s ILE 211 CO -0.08 0.27 0.28 -1.61 0.24 0.00 0.00 174.94 174.04 2iaw s GLU 212 N -1.29 1.53 -1.16 0.37 2.02 -0.57 -4.95 118.70 114.65 2iaw s GLU 212 Ca 0.10 -1.71 -0.03 0.00 0.02 0.00 0.00 54.97 53.35 2iaw s GLU 212 Cb -0.09 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.46 2iaw s GLU 212 CO 0.02 -0.57 0.93 0.09 0.02 0.00 0.00 175.26 175.75 2iaw n ASN 213 N -0.85 -3.60 -4.73 -0.19 3.02 -1.26 -0.39 115.26 107.26 2iaw n ASN 213 Ca 0.03 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.47 2iaw n ASN 213 Cb 0.64 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.84 2iaw n ASN 213 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2iaw s LYS 214 N -5.15 4.14 -0.05 3.52 2.20 -1.26 -4.29 119.74 118.86 2iaw s LYS 214 Ca 0.17 2.55 -0.12 0.00 -0.36 0.00 0.00 55.97 58.22 2iaw s LYS 214 Cb -0.03 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2iaw s LYS 214 CO 0.75 -0.67 0.28 0.15 -0.36 0.00 0.00 175.35 175.50 2iaw s LYS 215 N 0.44 0.53 -0.46 4.03 1.02 -0.44 -4.98 119.74 119.87 2iaw s LYS 215 Ca 0.69 -0.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 2iaw s LYS 215 Cb -0.48 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2iaw s LYS 215 CO 0.39 -0.12 1.33 0.08 -0.92 0.00 0.00 175.35 176.11 2iaw s VAL 216 N -0.81 3.97 -0.18 3.17 1.01 -1.26 -0.39 120.40 125.91 2iaw s VAL 216 Ca -0.09 0.97 0.11 0.00 0.00 0.00 0.00 61.98 62.97 2iaw s VAL 216 Cb -0.04 -4.36 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 2iaw s VAL 216 CO 0.02 -0.91 0.11 1.87 0.00 0.00 0.00 175.10 176.20 2iaw n TRP 217 N 8.66 0.25 -3.88 5.22 -0.00 0.12 -4.92 117.44 122.88 2iaw n TRP 217 Ca 0.14 0.08 -0.10 0.00 -0.00 0.00 0.00 57.50 57.62 2iaw n TRP 217 Cb 0.48 -1.04 -0.09 0.00 -0.00 0.00 0.00 31.31 30.66 2iaw n TRP 217 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2iaw s GLY 218 N -5.70 0.08 -0.16 5.87 0.00 -0.82 -0.79 107.32 105.80 2iaw s GLY 218 Ca -0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2iaw s GLY 218 CO 0.77 -0.47 -0.14 0.30 0.00 0.00 0.00 173.10 173.56 2iaw s HIS 219 N -2.15 2.80 -0.19 1.90 3.76 -0.14 -1.09 115.29 120.18 2iaw s HIS 219 Ca -0.09 -0.98 -0.18 0.00 -0.15 0.00 0.00 55.06 53.66 2iaw s HIS 219 Cb -0.03 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 2iaw s HIS 219 CO -0.02 -0.45 0.50 0.42 -0.85 0.00 0.00 174.74 174.35 2iaw s ILE 220 N 0.81 5.12 0.59 0.60 -1.09 -0.22 -4.42 121.20 122.59 2iaw s ILE 220 Ca -0.05 0.93 -0.20 0.00 -2.23 0.00 0.00 60.65 59.10 2iaw s ILE 220 Cb -0.15 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 2iaw s ILE 220 CO 0.00 0.19 1.30 -2.84 -1.23 0.00 0.00 174.94 172.37 2iaw s PRO 221 N 1.53 2.89 0.00 2.79 0.02 -1.26 -4.86 135.00 136.12 2iaw s PRO 221 Ca 0.24 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2iaw s PRO 221 Cb -0.15 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.32 2iaw s PRO 221 CO 0.10 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.83 2iaw n GLY 222 N 0.76 2.43 0.09 0.52 0.00 -1.26 -4.88 105.19 102.84 2iaw n GLY 222 Ca 0.13 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.27 2iaw n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iaw n THR 223 N 1.44 0.91 -0.67 2.61 -2.24 -1.26 -5.03 114.28 110.05 2iaw n THR 223 Ca 0.00 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.51 2iaw n THR 223 Cb 0.00 0.55 0.17 0.00 -2.10 0.00 0.00 70.33 68.95 2iaw n THR 223 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iaw n HIS 224 N -0.32 0.54 -2.28 4.78 1.44 -1.26 -4.94 115.22 113.18 2iaw n HIS 224 Ca 0.02 0.35 -0.42 0.00 -2.01 0.00 0.00 57.72 55.66 2iaw n HIS 224 Cb 0.25 -1.96 -0.03 0.00 0.12 0.00 0.00 29.99 28.37 2iaw n HIS 224 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2iaw s GLU 225 N -4.54 4.39 0.00 -1.40 0.41 -1.26 -4.68 118.70 111.63 2iaw s GLU 225 Ca 0.66 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.18 2iaw s GLU 225 Cb -0.23 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2iaw s GLU 225 CO 0.59 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 2iaw n GLY 226 N 2.97 0.26 0.00 -1.39 0.00 -1.26 -4.45 105.19 101.32 2iaw n GLY 226 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2iaw n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iaw n GLY 227 N 0.00 0.88 3.74 -0.02 0.00 -0.51 -4.21 105.19 105.08 2iaw n GLY 227 Ca 0.00 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2iaw n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iaw s ALA 228 N -1.18 3.75 0.00 4.61 0.00 -1.26 -0.95 121.76 126.74 2iaw s ALA 228 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2iaw s ALA 228 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2iaw s ALA 228 CO 0.00 -0.88 0.00 -3.47 0.00 0.00 0.00 175.76 171.41 2iaw n ASP 229 N 2.78 0.00 -4.89 0.00 -0.08 0.14 -4.26 116.55 110.24 2iaw n ASP 229 Ca 0.10 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.09 2iaw n ASP 229 Cb 0.38 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.85 2iaw n ASP 229 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2iaw s GLY 230 N 0.00 1.57 0.15 0.27 0.00 -0.18 -1.48 107.32 107.66 2iaw s GLY 230 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2iaw s GLY 230 CO 0.00 -0.14 0.32 -3.16 0.00 0.00 0.00 173.10 170.12 2iaw s MET 231 N -4.95 1.13 0.00 2.90 0.23 -1.26 -0.67 119.30 116.68 2iaw s MET 231 Ca 0.51 -1.04 -0.28 0.00 -1.03 0.00 0.00 55.69 53.85 2iaw s MET 231 Cb -0.11 0.40 0.09 0.00 -1.53 0.00 0.00 34.83 33.69 2iaw s MET 231 CO 0.48 -0.42 0.79 -0.51 -2.03 0.00 0.00 175.02 173.33 2iaw s ASP 232 N -2.92 -0.48 0.13 -1.18 1.01 -0.58 -4.77 116.67 107.90 2iaw s ASP 232 Ca 0.12 0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.49 2iaw s ASP 232 Cb 0.03 0.46 -0.06 0.00 1.01 0.00 0.00 42.92 44.35 2iaw s ASP 232 CO -0.04 -0.67 0.47 -0.36 0.21 0.00 0.00 175.17 174.79 2iaw s PHE 233 N -2.57 3.55 0.77 4.23 0.08 -1.26 -0.39 117.98 122.39 2iaw s PHE 233 Ca -0.00 0.86 -0.02 0.00 0.12 0.00 0.00 56.93 57.89 2iaw s PHE 233 Cb -0.01 -2.22 0.16 0.00 -0.57 0.00 0.00 43.02 40.38 2iaw s PHE 233 CO -0.05 0.43 1.06 0.16 -0.10 0.00 0.00 175.22 176.73 2iaw s ASP 234 N -1.94 4.04 0.00 1.36 1.47 -0.08 -1.30 116.67 120.23 2iaw s ASP 234 Ca 0.38 -0.46 0.18 0.00 1.18 0.00 0.00 52.55 53.83 2iaw s ASP 234 Cb -0.13 0.23 0.78 0.00 -0.34 0.00 0.00 42.92 43.45 2iaw s ASP 234 CO 0.20 -2.09 1.58 -1.84 0.68 0.00 0.00 175.17 173.70 2iaw n GLU 235 N -2.99 0.00 -0.44 2.11 0.28 -0.05 -0.74 120.64 118.81 2iaw n GLU 235 Ca 0.17 0.19 0.10 0.00 -0.16 0.00 0.00 57.16 57.45 2iaw n GLU 235 Cb 0.61 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.28 2iaw n GLU 235 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2iaw n ASP 236 N -1.50 4.09 -1.06 -1.84 9.92 -1.26 -4.88 116.55 120.02 2iaw n ASP 236 Ca 0.04 -2.23 -0.12 0.00 -0.53 0.00 0.00 54.79 51.95 2iaw n ASP 236 Cb 0.21 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 2iaw n ASP 236 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2iaw n ASN 237 N 1.11 -4.23 -4.77 -2.24 3.02 0.08 -4.83 115.26 103.40 2iaw n ASN 237 Ca 0.22 0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.59 2iaw n ASN 237 Cb 0.71 -2.99 -0.06 0.00 -0.61 0.00 0.00 39.78 36.83 2iaw n ASN 237 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2iaw s ASN 238 N -2.74 7.38 -0.23 6.41 0.02 -1.26 -3.94 114.94 120.57 2iaw s ASN 238 Ca 0.00 1.95 -0.08 0.00 -1.02 0.00 0.00 52.86 53.71 2iaw s ASN 238 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 2iaw s ASN 238 CO 0.00 -0.04 0.08 -0.22 0.02 0.00 0.00 177.10 176.94 2iaw s LEU 239 N -1.74 3.62 -0.15 0.60 2.96 0.62 -0.90 118.68 123.69 2iaw s LEU 239 Ca 0.47 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 2iaw s LEU 239 Cb -0.23 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2iaw s LEU 239 CO 0.29 0.03 0.11 -0.76 -1.32 0.00 0.00 176.35 174.69 2iaw s LEU 240 N 1.26 4.15 -0.06 -0.68 1.02 0.47 -0.67 118.68 124.17 2iaw s LEU 240 Ca 0.05 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.49 2iaw s LEU 240 Cb -0.14 -2.03 0.03 0.00 0.02 0.00 0.00 46.19 44.06 2iaw s LEU 240 CO 0.04 0.30 -0.01 -0.69 0.02 0.00 0.00 176.35 176.01 2iaw s VAL 241 N -0.36 0.37 0.06 -1.59 1.01 0.41 -1.52 120.40 118.77 2iaw s VAL 241 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 2iaw s VAL 241 Cb -0.12 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2iaw s VAL 241 CO 0.01 0.24 1.51 0.00 0.00 0.00 0.00 175.10 176.86 2iaw s ALA 242 N 1.65 3.64 -0.63 5.51 0.00 0.15 -0.37 121.76 131.70 2iaw s ALA 242 Ca -0.00 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 2iaw s ALA 242 Cb -0.13 -3.63 0.16 0.00 0.00 0.00 0.00 23.12 19.53 2iaw s ALA 242 CO -0.04 -0.93 0.46 1.21 0.00 0.00 0.00 175.76 176.46 2iaw s ASN 243 N 1.91 5.42 0.16 0.00 3.04 -0.83 -0.68 114.94 123.96 2iaw s ASN 243 Ca 0.68 -2.78 -0.31 0.00 0.04 0.00 0.00 52.86 50.49 2iaw s ASN 243 Cb -0.36 -1.90 -0.10 0.00 -1.54 0.00 0.00 41.25 37.35 2iaw s ASN 243 CO 0.30 -0.41 1.67 0.86 -3.04 0.00 0.00 177.10 176.48 2iaw s TRP 244 N 0.05 2.78 0.00 0.43 -0.00 -0.12 -1.67 118.94 120.41 2iaw s TRP 244 Ca 0.16 0.39 0.00 0.00 -0.00 0.00 0.00 56.10 56.65 2iaw s TRP 244 Cb -0.19 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.23 2iaw s TRP 244 CO -0.04 -4.00 0.00 0.41 -0.00 0.00 0.00 176.95 173.32 2iaw n GLY 245 N 3.94 1.13 0.17 5.86 0.00 0.31 -1.42 105.19 115.17 2iaw n GLY 245 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2iaw n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2iaw n SER 246 N 0.00 1.32 -0.19 1.61 3.41 -0.67 -4.89 113.62 114.21 2iaw n SER 246 Ca 0.00 -1.16 -0.02 0.00 -0.26 0.00 0.00 58.87 57.42 2iaw n SER 246 Cb 0.00 0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 64.76 2iaw n SER 246 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2iaw n SER 247 N -0.97 -4.85 -4.20 4.04 7.64 -0.73 -5.00 113.62 109.55 2iaw n SER 247 Ca 0.06 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.87 2iaw n SER 247 Cb 0.37 -2.56 -0.10 0.00 -1.01 0.00 0.00 64.21 60.90 2iaw n SER 247 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2iaw s HIS 248 N -1.58 1.07 -0.19 1.43 3.76 -1.26 -0.70 115.29 117.83 2iaw s HIS 248 Ca 0.00 -0.79 -0.07 0.00 -0.15 0.00 0.00 55.06 54.06 2iaw s HIS 248 Cb 0.00 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 2iaw s HIS 248 CO 0.00 -0.02 0.04 0.42 -0.85 0.00 0.00 174.74 174.33 2iaw s ILE 249 N -3.19 4.55 0.17 0.60 1.01 -0.48 -1.96 121.20 121.91 2iaw s ILE 249 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 2iaw s ILE 249 Cb 0.02 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2iaw s ILE 249 CO -0.02 0.45 0.53 -1.61 0.00 0.00 0.00 174.94 174.29 2iaw s GLU 250 N 0.56 3.87 -0.22 2.79 0.41 0.50 -0.36 118.70 126.25 2iaw s GLU 250 Ca 0.02 0.35 0.02 0.00 -0.41 0.00 0.00 54.97 54.95 2iaw s GLU 250 Cb -0.13 -2.82 0.04 0.00 -1.78 0.00 0.00 34.13 29.44 2iaw s GLU 250 CO 0.01 0.42 -0.15 0.08 -0.49 0.00 0.00 175.26 175.14 2iaw s VAL 251 N -1.60 2.16 -0.08 2.63 1.01 -0.05 -0.45 120.40 124.02 2iaw s VAL 251 Ca 0.41 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2iaw s VAL 251 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2iaw s VAL 251 CO 0.20 0.26 0.09 -0.36 0.00 0.00 0.00 175.10 175.29 2iaw s PHE 252 N 1.21 3.42 0.98 5.22 0.40 0.15 0.12 117.98 129.47 2iaw s PHE 252 Ca -0.02 0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 56.52 2iaw s PHE 252 Cb -0.16 -1.85 0.20 0.00 0.51 0.00 0.00 43.02 41.71 2iaw s PHE 252 CO -0.09 0.62 1.26 0.20 0.70 0.00 0.00 175.22 177.92 2iaw s GLY 253 N -1.19 1.72 0.61 4.36 0.00 -1.26 -0.28 107.32 111.27 2iaw s GLY 253 Ca 0.17 -1.06 0.40 0.00 0.00 0.00 0.00 44.72 44.23 2iaw s GLY 253 CO 0.07 -0.31 2.22 -2.55 0.00 0.00 0.00 173.10 172.52 2iaw h PRO 254 N -1.72 0.00 -0.22 2.90 0.11 -1.89 -1.49 132.00 129.69 2iaw h PRO 254 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2iaw h PRO 254 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2iaw h PRO 254 CO 0.42 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.96 2iaw n ASP 255 N -3.00 2.85 0.00 -2.05 8.00 -1.26 -5.06 116.55 116.03 2iaw n ASP 255 Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2iaw n ASP 255 Cb 0.12 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2iaw n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iaw n GLY 256 N 1.37 0.12 3.85 0.44 0.00 -0.56 -5.00 105.19 105.40 2iaw n GLY 256 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2iaw n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iaw n GLY 257 N 0.00 1.47 3.93 -0.02 0.00 0.03 -4.67 105.19 105.93 2iaw n GLY 257 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 2iaw n GLY 257 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iaw s GLN 258 N 0.00 3.52 0.62 1.61 -1.52 -1.26 -0.96 119.66 121.67 2iaw s GLN 258 Ca 0.00 -0.27 -0.19 0.00 -1.95 0.00 0.00 55.36 52.95 2iaw s GLN 258 Cb 0.00 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2iaw s GLN 258 CO 0.00 0.22 1.24 -2.30 -0.25 0.00 0.00 175.29 174.20 2iaw n PRO 259 N -1.37 1.19 0.04 2.91 -0.02 -1.26 -4.73 135.00 131.76 2iaw n PRO 259 Ca -0.04 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2iaw n PRO 259 Cb 0.55 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2iaw n PRO 259 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2iaw n LYS 260 N -1.54 0.40 -3.57 -0.52 4.76 0.12 -4.95 118.16 112.85 2iaw n LYS 260 Ca 0.14 0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.44 2iaw n LYS 260 Cb 0.47 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.96 2iaw n LYS 260 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2iaw s MET 261 N -3.27 1.01 0.13 1.97 1.75 -1.14 -4.31 119.30 115.44 2iaw s MET 261 Ca 0.02 -0.07 0.10 0.00 -1.25 0.00 0.00 55.69 54.48 2iaw s MET 261 Cb 0.13 0.46 -0.04 0.00 2.84 0.00 0.00 34.83 38.23 2iaw s MET 261 CO 0.80 -0.34 -0.24 1.03 -0.65 0.00 0.00 175.02 175.62 2iaw s ARG 262 N -1.94 1.32 -0.25 4.11 0.52 0.03 -0.87 118.95 121.88 2iaw s ARG 262 Ca -0.08 -1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 53.79 2iaw s ARG 262 Cb -0.01 -1.69 0.02 0.00 0.52 0.00 0.00 34.95 33.80 2iaw s ARG 262 CO 0.03 0.39 -0.05 0.42 0.02 0.00 0.00 175.30 176.10 2iaw s ILE 263 N -1.25 2.94 0.06 1.52 1.01 0.51 -1.04 121.20 124.96 2iaw s ILE 263 Ca 0.13 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 2iaw s ILE 263 Cb -0.09 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 2iaw s ILE 263 CO 0.06 0.20 1.23 -0.60 0.00 0.00 0.00 174.94 175.84 2iaw s ARG 264 N 1.34 4.41 0.11 2.79 6.06 -0.54 -1.38 118.95 131.74 2iaw s ARG 264 Ca 0.01 1.81 0.03 0.00 -2.50 0.00 0.00 55.73 55.08 2iaw s ARG 264 Cb -0.17 -3.35 -0.04 0.00 0.06 0.00 0.00 34.95 31.46 2iaw s ARG 264 CO -0.04 -0.30 0.11 0.00 -2.50 0.00 0.00 175.30 172.57 2iaw n PRO 266 N 0.19 1.38 -3.57 0.00 -0.04 -1.26 -4.76 135.00 126.93 2iaw n PRO 266 Ca -0.08 -0.63 -0.08 0.00 -0.04 0.00 0.00 63.50 62.67 2iaw n PRO 266 Cb 0.53 -1.31 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 2iaw n PRO 266 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2iaw s PHE 267 N -0.49 -0.29 -0.60 0.54 -0.12 -1.26 -5.08 117.98 110.68 2iaw s PHE 267 Ca 0.17 0.38 0.24 0.00 -0.05 0.00 0.00 56.93 57.68 2iaw s PHE 267 Cb 0.11 0.49 0.41 0.00 -0.63 0.00 0.00 43.02 43.40 2iaw s PHE 267 CO -0.01 -0.33 1.42 1.49 -0.05 0.00 0.00 175.22 177.74 2iaw h GLU 268 N 2.29 0.00 -2.13 1.99 4.81 -1.90 -3.37 114.58 116.26 2iaw h GLU 268 Ca -0.16 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.52 2iaw h GLU 268 Cb 1.18 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.15 2iaw h GLU 268 CO 0.29 0.00 -0.92 1.63 -0.73 0.00 0.00 179.01 179.28 2iaw n LYS 269 N -2.29 1.97 -1.81 1.92 5.02 -1.26 -0.53 118.16 121.18 2iaw n LYS 269 Ca 0.03 -4.06 -0.41 0.00 -2.02 0.00 0.00 58.31 51.86 2iaw n LYS 269 Cb 0.46 -1.92 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2iaw n LYS 269 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2iaw s PRO 270 N -2.72 4.13 -0.09 1.97 0.04 -1.26 -1.27 135.00 135.80 2iaw s PRO 270 Ca 0.43 2.55 0.02 0.00 0.04 0.00 0.00 61.00 64.04 2iaw s PRO 270 Cb 0.29 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 2iaw s PRO 270 CO -0.10 -0.59 -0.06 -1.13 0.04 0.00 0.00 177.00 175.16 2iaw n SER 271 N 1.79 3.19 -3.79 6.66 3.41 0.22 -3.52 113.62 121.58 2iaw n SER 271 Ca 0.06 -0.04 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2iaw n SER 271 Cb 0.38 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2iaw n SER 271 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2iaw s ASN 272 N -4.72 -0.23 0.17 4.04 3.04 -1.20 -1.01 114.94 115.03 2iaw s ASN 272 Ca -0.11 -0.59 -0.16 0.00 0.04 0.00 0.00 52.86 52.04 2iaw s ASN 272 Cb 0.03 0.68 0.03 0.00 -1.54 0.00 0.00 41.25 40.45 2iaw s ASN 272 CO 0.25 -1.26 0.46 -1.48 -3.04 0.00 0.00 177.10 172.03 2iaw s LEU 273 N -2.94 0.25 -0.27 3.21 0.05 -1.26 -1.46 118.68 116.25 2iaw s LEU 273 Ca 0.12 -0.44 -0.21 0.00 0.05 0.00 0.00 54.13 53.64 2iaw s LEU 273 Cb -0.05 1.96 0.08 0.00 -2.05 0.00 0.00 46.19 46.13 2iaw s LEU 273 CO 0.06 -0.97 0.72 -2.28 -0.55 0.00 0.00 176.35 173.33 2iaw s HIS 274 N -3.85 -0.90 0.44 3.48 2.46 -0.31 -4.79 115.29 111.82 2iaw s HIS 274 Ca 0.07 1.99 -0.21 0.00 0.47 0.00 0.00 55.06 57.38 2iaw s HIS 274 Cb 0.00 0.43 -0.10 0.00 -0.13 0.00 0.00 32.58 32.78 2iaw s HIS 274 CO -0.06 -0.44 0.99 -0.06 -2.47 0.00 0.00 174.74 172.70 2iaw s PHE 275 N 0.91 3.24 -0.05 3.88 0.40 -1.26 -0.78 117.98 124.32 2iaw s PHE 275 Ca -0.04 1.62 -0.25 0.00 -0.60 0.00 0.00 56.93 57.66 2iaw s PHE 275 Cb -0.05 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 2iaw s PHE 275 CO -0.08 -0.35 0.76 0.21 0.70 0.00 0.00 175.22 176.46 2iaw s LYS 276 N -3.04 4.46 0.38 0.44 2.20 -0.58 -4.82 119.74 118.77 2iaw s LYS 276 Ca 0.62 0.99 -0.25 0.00 -0.36 0.00 0.00 55.97 56.97 2iaw s LYS 276 Cb -0.13 -3.44 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 2iaw s LYS 276 CO 0.17 0.06 0.99 -2.30 -0.36 0.00 0.00 175.35 173.91 2iaw n PRO 277 N 3.73 1.34 -1.31 4.03 -0.02 -1.26 -2.01 135.00 139.49 2iaw n PRO 277 Ca 0.00 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2iaw n PRO 277 Cb 0.51 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 2iaw n PRO 277 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2iaw n GLN 278 N 0.38 -1.27 -4.27 -0.52 1.13 -1.26 -4.97 117.38 106.60 2iaw n GLN 278 Ca 0.09 0.84 -0.17 0.00 -1.94 0.00 0.00 57.00 55.83 2iaw n GLN 278 Cb 0.37 -5.02 -0.09 0.00 0.11 0.00 0.00 30.24 25.60 2iaw n GLN 278 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2iaw s THR 279 N -2.14 0.11 -1.77 5.09 -4.23 -0.85 -5.03 115.64 106.82 2iaw s THR 279 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2iaw s THR 279 Cb 0.00 -2.50 0.63 0.00 1.34 0.00 0.00 72.50 71.97 2iaw s THR 279 CO 0.00 0.00 1.53 0.29 -0.54 0.00 0.00 174.62 175.90 2iaw n LYS 280 N -0.48 2.88 -2.83 3.99 5.02 -1.26 -3.52 118.16 121.96 2iaw n LYS 280 Ca 0.03 -2.54 -0.42 0.00 -2.02 0.00 0.00 58.31 53.37 2iaw n LYS 280 Cb 0.64 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 2iaw n LYS 280 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2iaw s THR 281 N -1.29 4.88 -0.16 -0.18 2.01 -1.26 -0.52 115.64 119.12 2iaw s THR 281 Ca 0.47 1.79 -0.02 0.00 0.31 0.00 0.00 61.69 64.24 2iaw s THR 281 Cb 0.26 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2iaw s THR 281 CO 0.29 0.08 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.58 2iaw s ILE 282 N 1.72 3.29 -0.07 1.82 1.01 0.70 -1.53 121.20 128.14 2iaw s ILE 282 Ca 0.43 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2iaw s ILE 282 Cb -0.18 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 2iaw s ILE 282 CO 0.17 0.50 0.40 -0.36 0.00 0.00 0.00 174.94 175.65 2iaw s PHE 283 N 0.61 3.61 -0.07 3.97 0.40 0.04 -0.97 117.98 125.58 2iaw s PHE 283 Ca -0.06 0.88 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 2iaw s PHE 283 Cb -0.15 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.02 2iaw s PHE 283 CO 0.03 0.43 -0.12 0.08 0.70 0.00 0.00 175.22 176.34 2iaw s VAL 284 N -0.30 1.14 0.18 -0.44 1.01 0.47 -1.16 120.40 121.30 2iaw s VAL 284 Ca 0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2iaw s VAL 284 Cb -0.15 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2iaw s VAL 284 CO 0.11 0.36 0.39 0.42 0.00 0.00 0.00 175.10 176.37 2iaw s THR 285 N 0.68 5.19 0.01 3.92 -4.23 -0.54 -1.00 115.64 119.67 2iaw s THR 285 Ca -0.14 -0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 2iaw s THR 285 Cb -0.16 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.04 2iaw s THR 285 CO 0.04 -0.09 0.47 -1.83 -0.54 0.00 0.00 174.62 172.67 2iaw s GLU 286 N -3.06 0.92 0.00 3.99 4.04 -0.59 -0.61 118.70 123.39 2iaw s GLU 286 Ca 0.40 -0.14 0.14 0.00 0.04 0.00 0.00 54.97 55.41 2iaw s GLU 286 Cb -0.11 0.42 0.18 0.00 0.02 0.00 0.00 34.13 34.63 2iaw s GLU 286 CO 0.27 -0.30 1.04 0.72 -1.84 0.00 0.00 175.26 175.16 2iaw n HIS 287 N 0.78 0.14 -0.05 4.83 8.25 -0.39 -1.98 115.22 126.79 2iaw n HIS 287 Ca -0.19 -0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.01 2iaw n HIS 287 Cb 0.58 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 2iaw n HIS 287 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2iaw h GLU 288 N 2.75 0.42 -0.01 -0.41 4.81 -1.97 -3.35 114.58 116.82 2iaw h GLU 288 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2iaw h GLU 288 Cb 0.64 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2iaw h GLU 288 CO 0.00 0.88 -0.29 0.09 -0.73 0.00 0.00 179.01 178.97 2iaw n ASN 289 N -4.42 1.20 -3.42 1.04 4.13 -1.26 -5.02 115.26 107.51 2iaw n ASN 289 Ca -0.07 -1.10 -0.20 0.00 1.68 0.00 0.00 54.58 54.89 2iaw n ASN 289 Cb 0.46 0.55 0.05 0.00 -1.54 0.00 0.00 39.78 39.31 2iaw n ASN 289 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2iaw n ASN 290 N -0.38 -6.20 -3.61 6.41 3.02 -0.85 -4.43 115.26 109.22 2iaw n ASN 290 Ca 0.04 -0.78 -0.13 0.00 -0.03 0.00 0.00 54.58 53.68 2iaw n ASN 290 Cb 0.23 -4.40 -0.06 0.00 -0.61 0.00 0.00 39.78 34.94 2iaw n ASN 290 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iaw s ALA 291 N -3.37 0.67 -0.01 5.41 0.00 -0.84 -1.04 121.76 122.58 2iaw s ALA 291 Ca 0.41 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2iaw s ALA 291 Cb -0.10 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.21 2iaw s ALA 291 CO 0.79 -0.76 -0.15 0.08 0.00 0.00 0.00 175.76 175.72 2iaw s VAL 292 N -3.52 1.20 0.33 0.00 1.01 -0.38 -1.54 120.40 117.50 2iaw s VAL 292 Ca 0.31 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2iaw s VAL 292 Cb 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2iaw s VAL 292 CO 0.17 0.34 0.13 0.26 0.00 0.00 0.00 175.10 175.99 2iaw s TRP 293 N -0.36 1.70 0.04 5.22 0.52 -0.17 -0.60 118.94 125.30 2iaw s TRP 293 Ca 0.06 -1.26 -0.05 0.00 0.02 0.00 0.00 56.10 54.87 2iaw s TRP 293 Cb -0.06 -1.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 2iaw s TRP 293 CO -0.01 -0.36 0.08 -1.59 0.02 0.00 0.00 176.95 175.09 2iaw s LYS 294 N -3.82 0.59 0.14 4.98 -2.85 0.00 -0.40 119.74 118.39 2iaw s LYS 294 Ca 0.33 -0.81 -0.12 0.00 -1.00 0.00 0.00 55.97 54.37 2iaw s LYS 294 Cb 0.05 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2iaw s LYS 294 CO 0.16 -0.14 0.33 -0.59 0.10 0.00 0.00 175.35 175.21 2iaw s PHE 295 N -2.75 0.09 -0.21 1.78 -0.71 -0.15 -0.93 117.98 115.09 2iaw s PHE 295 Ca -0.04 -0.46 -0.17 0.00 -1.04 0.00 0.00 56.93 55.23 2iaw s PHE 295 Cb -0.00 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 2iaw s PHE 295 CO -0.05 -0.70 0.45 -1.21 -1.34 0.00 0.00 175.22 172.37 2iaw s GLU 296 N -3.88 4.15 0.84 1.99 0.41 -1.26 -0.22 118.70 120.73 2iaw s GLU 296 Ca 0.09 0.28 -0.07 0.00 -0.41 0.00 0.00 54.97 54.86 2iaw s GLU 296 Cb 0.03 -3.57 0.17 0.00 -1.78 0.00 0.00 34.13 28.98 2iaw s GLU 296 CO -0.06 -0.14 1.15 -0.46 -0.49 0.00 0.00 175.26 175.25 2iaw s TRP 297 N 1.63 1.34 -0.37 1.61 -0.00 0.32 -4.94 118.94 118.53 2iaw s TRP 297 Ca 0.21 -0.13 0.27 0.00 -0.00 0.00 0.00 56.10 56.45 2iaw s TRP 297 Cb -0.15 -3.46 0.86 0.00 -0.00 0.00 0.00 33.47 30.72 2iaw s TRP 297 CO 0.09 -2.20 1.77 1.96 -0.00 0.00 0.00 176.95 178.57 2iaw h GLN 298 N -1.03 0.00 -2.94 5.86 4.20 -1.98 -3.47 115.11 115.75 2iaw h GLN 298 Ca -0.38 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.35 2iaw h GLN 298 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2iaw h GLN 298 CO 0.36 0.00 0.30 -0.98 -0.67 0.00 0.00 178.83 177.84 2iaw s ARG 299 N -3.33 2.03 0.81 1.46 1.70 -1.26 -5.09 118.95 115.27 2iaw s ARG 299 Ca 0.06 -1.27 -0.11 0.00 -0.47 0.00 0.00 55.73 53.94 2iaw s ARG 299 Cb 0.09 0.59 0.08 0.00 -0.57 0.00 0.00 34.95 35.14 2iaw s ARG 299 CO 0.56 -0.95 1.09 -0.80 -1.08 0.00 0.00 175.30 174.13 2iaw s ASN 300 N -3.07 4.20 0.65 -2.89 -0.87 -1.26 -4.48 114.94 107.23 2iaw s ASN 300 Ca 0.15 1.76 -0.13 0.00 -1.57 0.00 0.00 52.86 53.07 2iaw s ASN 300 Cb -0.05 -2.44 -0.01 0.00 -0.02 0.00 0.00 41.25 38.73 2iaw s ASN 300 CO 0.10 -2.22 1.06 -0.83 -2.57 0.00 0.00 177.10 172.64 2iaw s GLY 301 N -3.37 1.89 0.19 0.66 0.00 -1.23 -0.87 107.32 104.58 2iaw s GLY 301 Ca 0.62 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 45.28 2iaw s GLY 301 CO 0.56 0.56 1.45 1.25 0.00 0.00 0.00 173.10 176.92 2iaw s LYS 302 N -4.57 4.28 0.27 2.90 2.47 -0.42 -4.02 119.74 120.66 2iaw s LYS 302 Ca 0.61 2.23 -0.30 0.00 -1.56 0.00 0.00 55.97 56.95 2iaw s LYS 302 Cb -0.15 -3.16 -0.13 0.00 -1.46 0.00 0.00 37.83 32.93 2iaw s LYS 302 CO 0.46 -0.45 1.41 1.63 0.16 0.00 0.00 175.35 178.57 2iaw n LYS 303 N 3.16 2.16 -1.63 4.03 5.02 -1.26 -4.91 118.16 124.73 2iaw n LYS 303 Ca 0.10 0.77 -0.30 0.00 -2.02 0.00 0.00 58.31 56.85 2iaw n LYS 303 Cb 0.41 -2.43 0.09 0.00 -0.02 0.00 0.00 35.03 33.08 2iaw n LYS 303 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2iaw s GLN 304 N -0.72 2.07 0.33 1.97 -1.52 -1.26 -4.93 119.66 115.60 2iaw s GLN 304 Ca 0.65 0.53 0.08 0.00 -1.95 0.00 0.00 55.36 54.67 2iaw s GLN 304 Cb -0.61 -1.93 0.79 0.00 -0.22 0.00 0.00 33.01 31.05 2iaw s GLN 304 CO 0.52 -1.60 1.81 -0.92 -0.25 0.00 0.00 175.29 174.85 2iaw h TYR 305 N -1.07 0.94 0.00 0.91 3.20 -1.88 -0.67 116.97 118.40 2iaw h TYR 305 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2iaw h TYR 305 Cb 1.28 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2iaw h TYR 305 CO 0.44 0.26 0.00 0.00 -1.64 0.00 0.00 178.16 177.22 2iaw n GLU 307 N -2.45 1.20 -3.18 0.00 1.02 -0.26 -4.79 120.64 112.18 2iaw n GLU 307 Ca 0.01 -0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 56.16 2iaw n GLU 307 Cb 0.20 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2iaw n GLU 307 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2iaw s THR 308 N -2.34 3.93 -0.11 2.62 -4.23 -0.62 -4.99 115.64 109.90 2iaw s THR 308 Ca 0.27 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2iaw s THR 308 Cb 0.20 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 2iaw s THR 308 CO 0.47 -0.23 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.49 2iaw s LEU 309 N -4.39 3.12 0.21 4.79 1.43 -1.26 -4.98 118.68 117.59 2iaw s LEU 309 Ca 0.47 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2iaw s LEU 309 Cb -0.10 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.58 2iaw s LEU 309 CO 0.35 0.25 1.67 0.50 0.23 0.00 0.00 176.35 179.35 2iaw h LYS 310 N 6.10 0.92 -1.35 1.70 3.64 -1.96 -3.23 116.57 122.39 2iaw h LYS 310 Ca -0.37 -0.30 -0.65 0.00 -1.27 0.00 0.00 60.65 58.06 2iaw h LYS 310 Cb 1.19 -0.08 -0.36 0.00 -0.41 0.00 0.00 32.23 32.57 2iaw h LYS 310 CO 0.57 0.95 0.06 1.19 -2.27 0.00 0.00 179.45 179.95 2iaw n PHE 311 N -4.17 3.11 -1.31 1.91 3.72 -1.26 -5.02 117.46 114.45 2iaw n PHE 311 Ca 0.02 -2.68 -0.26 0.00 -0.05 0.00 0.00 57.45 54.48 2iaw n PHE 311 Cb 0.36 -0.72 0.20 0.00 -0.94 0.00 0.00 39.48 38.37 2iaw n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2iaw n GLY 312 N -0.64 -2.21 0.78 1.37 0.00 -1.22 -4.98 105.19 98.28 2iaw n GLY 312 Ca 0.49 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 2iaw n GLY 312 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2iaw n ILE 313 N -4.15 1.11 1.41 -0.61 5.41 -1.26 -5.13 119.36 116.14 2iaw n ILE 313 Ca 0.14 0.23 0.14 0.00 1.00 0.00 0.00 62.75 64.25 2iaw n ILE 313 Cb 0.50 -1.76 0.45 0.00 -0.71 0.00 0.00 39.64 38.12 2iaw n ILE 313 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04