#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7a n LYS 4 N 0.00 0.00 -1.84 -1.24 4.81 -1.26 -5.15 118.16 113.47 1a7a n LYS 4 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1a7a n LYS 4 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a7a n LYS 4 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1a7a s LEU 5 N 0.00 4.33 0.00 3.14 1.43 -1.26 -4.85 118.68 121.47 1a7a s LEU 5 Ca 0.00 3.00 0.11 0.00 -1.03 0.00 0.00 54.13 56.21 1a7a s LEU 5 Cb 0.00 -3.66 0.61 0.00 0.03 0.00 0.00 46.19 43.17 1a7a s LEU 5 CO 0.00 -0.83 1.21 -0.81 0.23 0.00 0.00 176.35 176.15 1a7a n PRO 6 N 0.60 0.23 0.00 1.29 -0.04 -1.26 -4.85 135.00 130.97 1a7a n PRO 6 Ca 0.01 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1a7a n PRO 6 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1a7a n PRO 6 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1a7a n TYR 7 N -1.19 0.00 -3.16 0.54 0.18 -1.26 -4.06 117.16 108.21 1a7a n TYR 7 Ca 0.06 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.89 1a7a n TYR 7 Cb 0.07 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.02 1a7a n TYR 7 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1a7a s LYS 8 N -2.00 0.52 0.28 -3.48 2.20 0.55 -4.95 119.74 112.87 1a7a s LYS 8 Ca 0.00 0.93 0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1a7a s LYS 8 Cb 0.00 0.52 -0.06 0.00 -1.51 0.00 0.00 37.83 36.78 1a7a s LYS 8 CO 0.00 -0.56 0.05 0.14 -0.36 0.00 0.00 175.35 174.62 1a7a s VAL 9 N 2.87 0.97 0.11 4.02 -7.23 -1.26 -2.51 120.40 117.37 1a7a s VAL 9 Ca 0.18 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 1a7a s VAL 9 Cb -0.14 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 1a7a s VAL 9 CO -0.20 -0.10 1.76 0.00 -0.31 0.00 0.00 175.10 176.25 1a7a h ALA 10 N 2.30 0.16 -1.13 1.32 0.00 -1.90 -3.43 119.26 116.58 1a7a h ALA 10 Ca -0.39 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1a7a h ALA 10 Cb 1.24 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 1a7a h ALA 10 CO 0.66 -0.35 -0.37 0.34 0.00 0.00 0.00 179.25 179.53 1a7a s ASP 11 N -5.31 -1.24 0.65 0.00 2.15 -1.26 -5.00 116.67 106.66 1a7a s ASP 11 Ca -0.13 0.34 0.31 0.00 0.43 0.00 0.00 52.55 53.50 1a7a s ASP 11 Cb 0.07 1.93 1.68 0.00 -0.30 0.00 0.00 42.92 46.30 1a7a s ASP 11 CO 0.68 -0.29 1.97 -0.29 -0.17 0.00 0.00 175.17 177.06 1a7a h ILE 12 N 6.03 0.08 -0.20 4.11 6.09 -1.94 -1.53 117.51 130.15 1a7a h ILE 12 Ca -0.10 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.45 1a7a h ILE 12 Cb 1.17 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 1a7a h ILE 12 CO 0.20 0.00 0.14 1.23 -3.07 0.00 0.00 178.15 176.65 1a7a h GLY 13 N 0.00 0.00 1.47 8.18 0.00 -1.96 -1.22 103.07 109.53 1a7a h GLY 13 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1a7a h GLY 13 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1a7a n LEU 14 N -4.46 0.00 -0.27 3.11 4.32 -0.58 -3.76 117.00 115.36 1a7a n LEU 14 Ca 0.02 0.23 0.05 0.00 -0.02 0.00 0.00 56.01 56.29 1a7a n LEU 14 Cb 0.28 -0.23 0.14 0.00 -1.62 0.00 0.00 43.42 41.99 1a7a n LEU 14 CO 0.35 -0.13 0.77 0.00 -1.22 0.00 0.00 177.39 177.16 1a7a h ALA 15 N 2.69 0.70 0.22 -1.18 0.00 -1.43 0.26 119.26 120.53 1a7a h ALA 15 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a7a h ALA 15 Cb 0.11 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1a7a h ALA 15 CO 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 179.25 178.44 1a7a h ALA 16 N 1.76 -0.96 -0.26 0.00 0.00 -1.84 -1.24 119.26 116.72 1a7a h ALA 16 Ca 0.41 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1a7a h ALA 16 Cb 0.70 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1a7a h ALA 16 CO -0.75 -1.02 0.19 2.35 0.00 0.00 0.00 179.25 180.02 1a7a h TRP 17 N -0.65 0.00 0.62 0.00 7.01 -1.69 -1.78 115.95 119.46 1a7a h TRP 17 Ca -0.02 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 1a7a h TRP 17 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1a7a h TRP 17 CO -0.32 0.00 -0.50 0.78 -2.79 0.00 0.00 178.44 175.62 1a7a h GLY 18 N 0.00 -1.29 0.07 2.65 0.00 0.60 -1.97 103.07 103.13 1a7a h GLY 18 Ca 0.12 0.57 0.13 0.00 0.00 0.00 0.00 47.33 48.16 1a7a h GLY 18 CO -0.00 -0.41 0.14 3.21 0.00 0.00 0.00 176.54 179.49 1a7a h ARG 19 N -1.09 0.25 -0.78 4.80 2.47 -0.43 -0.60 114.38 119.00 1a7a h ARG 19 Ca -0.08 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1a7a h ARG 19 Cb 0.91 -0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 29.07 1a7a h ARG 19 CO 0.01 0.17 -0.57 0.87 0.56 0.00 0.00 179.97 181.00 1a7a h LYS 20 N 0.26 -0.14 0.30 0.04 1.79 -0.98 0.81 116.57 118.65 1a7a h LYS 20 Ca 0.36 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 1a7a h LYS 20 Cb 0.56 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1a7a h LYS 20 CO -0.45 -0.10 -0.17 0.00 -1.08 0.00 0.00 179.45 177.65 1a7a h ALA 21 N 0.32 -0.44 -0.05 3.86 0.00 -0.55 -2.28 119.26 120.12 1a7a h ALA 21 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1a7a h ALA 21 Cb 0.48 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1a7a h ALA 21 CO -0.81 -0.75 -0.26 -0.07 0.00 0.00 0.00 179.25 177.35 1a7a h LEU 22 N -0.44 -0.80 -0.94 0.00 3.38 -0.20 0.15 115.31 116.45 1a7a h LEU 22 Ca -0.04 0.11 0.28 0.00 0.09 0.00 0.00 57.88 58.33 1a7a h LEU 22 Cb 0.36 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 1a7a h LEU 22 CO 0.05 -0.32 0.21 0.44 0.09 0.00 0.00 178.44 178.91 1a7a h ASP 23 N -0.38 -0.12 0.23 -0.43 3.32 0.77 0.23 116.42 120.04 1a7a h ASP 23 Ca 0.08 0.24 -0.30 0.00 0.02 0.00 0.00 57.03 57.07 1a7a h ASP 23 Cb 0.49 0.35 0.03 0.00 0.22 0.00 0.00 39.33 40.41 1a7a h ASP 23 CO -0.27 -0.28 -1.28 0.40 -1.72 0.00 0.00 179.24 176.09 1a7a h ILE 24 N 0.10 1.32 -0.20 0.35 2.04 -0.69 -3.27 117.51 117.15 1a7a h ILE 24 Ca 0.62 -2.58 -0.03 0.00 1.00 0.00 0.00 64.86 63.88 1a7a h ILE 24 Cb 1.36 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 1a7a h ILE 24 CO -0.78 0.78 0.01 0.00 0.00 0.00 0.00 178.15 178.16 1a7a h ALA 25 N 0.33 1.65 -0.21 1.87 0.00 0.20 -1.75 119.26 121.35 1a7a h ALA 25 Ca -0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1a7a h ALA 25 Cb 1.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1a7a h ALA 25 CO 0.24 0.27 -0.07 0.93 0.00 0.00 0.00 179.25 180.62 1a7a h GLU 26 N 0.29 0.32 0.00 0.00 5.08 -0.75 -1.10 114.58 118.42 1a7a h GLU 26 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a7a h GLU 26 Cb 0.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1a7a h GLU 26 CO 0.00 0.41 0.00 -1.71 -1.00 0.00 0.00 179.01 176.71 1a7a n ASN 27 N -4.30 0.00 -2.99 1.42 4.05 -0.66 -4.30 115.26 108.48 1a7a n ASN 27 Ca -0.00 -0.19 -0.36 0.00 0.45 0.00 0.00 54.58 54.48 1a7a n ASN 27 Cb 0.24 -0.25 0.02 0.00 1.23 0.00 0.00 39.78 41.03 1a7a n ASN 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1a7a n GLU 28 N -1.25 3.56 0.00 1.20 -0.58 -0.42 -5.11 120.64 118.05 1a7a n GLU 28 Ca 0.13 -4.13 0.00 0.00 -0.42 0.00 0.00 57.16 52.74 1a7a n GLU 28 Cb 0.19 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 1a7a n GLU 28 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1a7a n PRO 30 N -0.39 0.00 0.00 3.49 -0.04 -1.26 -3.77 135.00 133.04 1a7a n PRO 30 Ca 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1a7a n PRO 30 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1a7a n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a7a n GLY 31 N 0.00 -1.90 1.20 0.55 0.00 -1.26 -0.64 105.19 103.13 1a7a n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a7a n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a7a n LEU 32 N -1.97 0.00 -0.98 0.99 4.77 -1.26 -4.67 117.00 113.88 1a7a n LEU 32 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1a7a n LEU 32 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1a7a n LEU 32 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.60 1a7a n ARG 34 N 0.75 -1.40 0.00 3.23 5.12 0.19 -4.71 116.66 119.84 1a7a n ARG 34 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1a7a n ARG 34 Cb 0.00 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1a7a n ARG 34 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1a7a n ARG 36 N -0.68 0.00 0.00 5.56 1.74 -1.26 -2.64 116.66 119.37 1a7a n ARG 36 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1a7a n ARG 36 Cb 0.13 0.00 0.71 0.00 -1.02 0.00 0.00 32.46 32.28 1a7a n ARG 36 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1a7a n GLU 37 N 0.00 0.72 -0.02 5.56 0.28 -1.26 -0.52 120.64 125.40 1a7a n GLU 37 Ca 0.00 0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.03 1a7a n GLU 37 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 1a7a n GLU 37 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1a7a n ARG 38 N -1.03 0.94 0.00 3.44 0.63 -1.08 -4.72 116.66 114.84 1a7a n ARG 38 Ca 0.18 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1a7a n ARG 38 Cb 0.10 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1a7a n ARG 38 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1a7a n TYR 39 N -2.03 0.00 -0.24 -0.14 4.01 -1.15 -4.73 117.16 112.88 1a7a n TYR 39 Ca -0.06 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.83 1a7a n TYR 39 Cb 0.45 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 39.94 1a7a n TYR 39 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a7a h SER 40 N 0.00 0.51 0.12 7.72 0.87 -1.01 -0.56 113.55 121.20 1a7a h SER 40 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1a7a h SER 40 Cb 0.03 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1a7a h SER 40 CO 0.00 0.23 -0.06 0.00 -0.53 0.00 0.00 176.83 176.47 1a7a h ALA 41 N 1.62 -0.26 -0.21 6.23 0.00 -1.85 -3.34 119.26 121.45 1a7a h ALA 41 Ca 0.45 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1a7a h ALA 41 Cb 0.95 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1a7a h ALA 41 CO -0.19 -0.25 0.35 0.66 0.00 0.00 0.00 179.25 179.83 1a7a h SER 42 N -0.62 0.00 -6.52 0.00 4.64 -1.82 -3.46 113.55 105.77 1a7a h SER 42 Ca -0.02 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.80 1a7a h SER 42 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1a7a h SER 42 CO 0.03 0.00 -0.90 0.29 -0.87 0.00 0.00 176.83 175.38 1a7a n LYS 43 N -3.39 -2.86 0.08 4.77 4.76 -0.23 -4.83 118.16 116.46 1a7a n LYS 43 Ca 0.03 0.38 0.20 0.00 -2.87 0.00 0.00 58.31 56.05 1a7a n LYS 43 Cb 0.47 -4.37 0.74 0.00 -1.84 0.00 0.00 35.03 30.03 1a7a n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1a7a h PRO 44 N -1.86 0.00 -0.58 1.97 0.13 -1.73 -0.25 132.00 129.68 1a7a h PRO 44 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1a7a h PRO 44 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1a7a h PRO 44 CO 0.61 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 1a7a n LEU 45 N -3.75 3.24 -4.68 1.56 4.77 -0.88 -4.77 117.00 112.49 1a7a n LEU 45 Ca 0.08 -1.63 -0.45 0.00 -0.03 0.00 0.00 56.01 53.97 1a7a n LEU 45 Cb 0.62 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1a7a n LEU 45 CO 0.28 0.62 1.18 1.17 -1.33 0.00 0.00 177.39 179.31 1a7a n LYS 46 N 0.78 2.20 0.00 3.23 4.81 -0.11 -1.31 118.16 127.77 1a7a n LYS 46 Ca 0.18 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1a7a n LYS 46 Cb 0.59 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1a7a n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a7a n GLY 47 N 3.23 2.53 3.75 3.14 0.00 -1.23 -5.00 105.19 111.62 1a7a n GLY 47 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1a7a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7a s ALA 48 N -2.31 3.39 -0.53 4.61 0.00 -0.43 -4.91 121.76 121.59 1a7a s ALA 48 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1a7a s ALA 48 Cb 0.00 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.93 1a7a s ALA 48 CO 0.00 -0.13 0.27 1.03 0.00 0.00 0.00 175.76 176.93 1a7a s ARG 49 N -1.04 2.01 -0.15 0.00 0.52 -1.26 -0.43 118.95 118.59 1a7a s ARG 49 Ca 0.46 -2.64 -0.26 0.00 -0.52 0.00 0.00 55.73 52.77 1a7a s ARG 49 Cb -0.30 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 1a7a s ARG 49 CO 0.38 -1.12 0.88 0.42 0.02 0.00 0.00 175.30 175.88 1a7a s ILE 50 N -0.31 4.85 -0.40 1.52 1.01 -0.46 -0.27 121.20 127.14 1a7a s ILE 50 Ca 0.17 1.74 -0.12 0.00 0.00 0.00 0.00 60.65 62.45 1a7a s ILE 50 Cb -0.25 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.08 1a7a s ILE 50 CO -0.00 0.02 0.26 0.00 0.00 0.00 0.00 174.94 175.21 1a7a s ALA 51 N 2.11 3.34 -0.10 9.38 0.00 -1.26 -1.87 121.76 133.37 1a7a s ALA 51 Ca 0.41 -1.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 1a7a s ALA 51 Cb -0.17 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1a7a s ALA 51 CO 0.14 -1.51 0.17 0.20 0.00 0.00 0.00 175.76 174.75 1a7a s GLY 52 N 1.84 2.19 -0.40 0.00 0.00 -0.36 -2.20 107.32 108.38 1a7a s GLY 52 Ca 0.03 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.20 1a7a s GLY 52 CO 0.06 -0.36 0.47 0.00 0.00 0.00 0.00 173.10 173.28 1a7a s LEU 54 N -0.86 1.40 0.00 0.00 0.20 -0.80 -2.74 118.68 115.88 1a7a s LEU 54 Ca 0.34 0.09 0.00 0.00 0.69 0.00 0.00 54.13 55.25 1a7a s LEU 54 Cb 0.13 0.07 0.00 0.00 -0.43 0.00 0.00 46.19 45.96 1a7a s LEU 54 CO -0.13 -0.08 0.00 1.41 -0.29 0.00 0.00 176.35 177.26 1a7a n HIS 55 N 3.67 0.00 0.00 5.38 8.25 -1.26 -4.27 115.22 126.98 1a7a n HIS 55 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1a7a n HIS 55 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1a7a n HIS 55 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1a7a n THR 57 N 0.00 0.00 -0.18 1.59 -2.24 -1.26 -4.67 114.28 107.52 1a7a n THR 57 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1a7a n THR 57 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1a7a n THR 57 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a7a h VAL 58 N 1.01 0.30 0.07 2.28 2.07 -1.92 0.14 116.25 120.21 1a7a h VAL 58 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1a7a h VAL 58 Cb 0.00 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1a7a h VAL 58 CO 0.00 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 176.92 1a7a h GLU 59 N -0.10 -0.52 -1.00 1.57 3.07 -1.95 -1.16 114.58 114.49 1a7a h GLU 59 Ca 0.25 0.04 0.26 0.00 -0.50 0.00 0.00 59.36 59.40 1a7a h GLU 59 Cb 0.49 0.12 -0.13 0.00 -0.84 0.00 0.00 28.75 28.39 1a7a h GLU 59 CO -0.61 -0.34 0.58 1.15 -1.40 0.00 0.00 179.01 178.39 1a7a h THR 60 N -0.54 0.50 -0.88 1.13 2.02 -1.41 0.30 112.91 114.03 1a7a h THR 60 Ca 0.04 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1a7a h THR 60 Cb 0.59 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1a7a h THR 60 CO -0.23 0.10 0.58 0.00 0.37 0.00 0.00 175.52 176.34 1a7a h ALA 61 N 1.75 1.12 -0.36 6.16 0.00 0.22 0.32 119.26 128.47 1a7a h ALA 61 Ca 0.66 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1a7a h ALA 61 Cb 1.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1a7a h ALA 61 CO -0.50 0.51 0.00 0.28 0.00 0.00 0.00 179.25 179.54 1a7a h VAL 62 N 1.19 1.21 0.35 0.00 2.07 0.01 -1.16 116.25 119.91 1a7a h VAL 62 Ca 0.33 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1a7a h VAL 62 Cb -0.12 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1a7a h VAL 62 CO -0.07 0.28 -0.17 0.25 0.02 0.00 0.00 177.57 177.88 1a7a h LEU 63 N 0.54 -0.40 -0.65 2.57 5.85 -0.60 -1.83 115.31 120.79 1a7a h LEU 63 Ca 0.12 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1a7a h LEU 63 Cb 0.35 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.35 1a7a h LEU 63 CO 0.01 -0.05 -0.18 0.40 -0.34 0.00 0.00 178.44 178.28 1a7a h ILE 64 N -0.79 0.32 0.00 4.05 2.04 -0.07 0.45 117.51 123.52 1a7a h ILE 64 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1a7a h ILE 64 Cb 0.52 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1a7a h ILE 64 CO 0.08 0.00 -0.32 -0.33 0.00 0.00 0.00 178.15 177.58 1a7a h GLU 65 N -0.02 0.00 -0.27 2.37 5.08 -1.22 -2.22 114.58 118.30 1a7a h GLU 65 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1a7a h GLU 65 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1a7a h GLU 65 CO -0.68 0.32 0.00 1.15 -1.00 0.00 0.00 179.01 178.81 1a7a h THR 66 N 0.00 1.25 -0.75 1.13 2.02 0.69 0.13 112.91 117.37 1a7a h THR 66 Ca -0.00 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.34 1a7a h THR 66 Cb 0.60 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 1a7a h THR 66 CO 0.04 0.29 0.44 -0.07 0.37 0.00 0.00 175.52 176.59 1a7a h LEU 67 N 0.25 0.66 -0.12 2.58 3.38 -0.59 -1.76 115.31 119.70 1a7a h LEU 67 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a7a h LEU 67 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1a7a h LEU 67 CO 0.01 0.41 0.06 0.58 0.09 0.00 0.00 178.44 179.59 1a7a h VAL 68 N 0.79 1.12 -0.38 1.22 2.07 -0.98 -1.99 116.25 118.09 1a7a h VAL 68 Ca 0.34 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1a7a h VAL 68 Cb 0.22 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1a7a h VAL 68 CO -0.19 0.11 0.31 0.74 0.02 0.00 0.00 177.57 178.56 1a7a h THR 69 N 0.07 0.65 -0.00 2.57 2.02 -0.17 1.13 112.91 119.17 1a7a h THR 69 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1a7a h THR 69 Cb 0.12 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1a7a h THR 69 CO -0.01 0.00 -0.05 0.18 0.37 0.00 0.00 175.52 176.02 1a7a n LEU 70 N -4.17 0.43 -0.25 2.58 4.32 -0.72 -4.43 117.00 114.77 1a7a n LEU 70 Ca 0.06 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1a7a n LEU 70 Cb 0.49 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1a7a n LEU 70 CO 0.33 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 1a7a n GLY 71 N 1.18 0.97 3.35 -0.72 0.00 0.39 -2.08 105.19 108.28 1a7a n GLY 71 Ca 0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1a7a n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7a s ALA 72 N -2.50 2.47 0.45 4.61 0.00 -1.08 -2.65 121.76 123.06 1a7a s ALA 72 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 1a7a s ALA 72 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 1a7a s ALA 72 CO 0.00 0.34 1.24 -1.21 0.00 0.00 0.00 175.76 176.13 1a7a s GLU 73 N 0.07 3.77 -0.02 0.00 2.02 0.42 -4.28 118.70 120.68 1a7a s GLU 73 Ca -0.07 1.98 -0.02 0.00 0.02 0.00 0.00 54.97 56.88 1a7a s GLU 73 Cb -0.15 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.55 1a7a s GLU 73 CO 0.05 -0.60 0.06 0.08 0.02 0.00 0.00 175.26 174.87 1a7a s VAL 74 N -1.39 -0.00 -0.02 2.63 1.01 -1.26 -1.36 120.40 120.01 1a7a s VAL 74 Ca 0.62 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1a7a s VAL 74 Cb -0.34 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1a7a s VAL 74 CO 0.42 0.00 -0.08 -1.10 0.00 0.00 0.00 175.10 174.34 1a7a s GLN 75 N 0.05 0.77 0.08 2.72 -0.21 -0.78 -4.12 119.66 118.18 1a7a s GLN 75 Ca -0.00 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.13 1a7a s GLN 75 Cb -0.01 -0.74 -0.04 0.00 1.00 0.00 0.00 33.01 33.23 1a7a s GLN 75 CO -0.00 0.12 -0.07 -0.46 -2.12 0.00 0.00 175.29 172.76 1a7a s TRP 76 N 0.09 0.83 0.11 0.91 -0.11 0.21 -1.22 118.94 119.75 1a7a s TRP 76 Ca -0.01 -0.75 -0.16 0.00 1.22 0.00 0.00 56.10 56.39 1a7a s TRP 76 Cb -0.06 -0.48 0.04 0.00 -1.50 0.00 0.00 33.47 31.46 1a7a s TRP 76 CO 0.00 -0.12 0.40 -1.54 -4.62 0.00 0.00 176.95 171.08 1a7a s SER 77 N -2.50 -0.24 0.53 5.86 1.04 -0.69 -0.67 113.70 117.02 1a7a s SER 77 Ca 0.04 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 1a7a s SER 77 Cb -0.01 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1a7a s SER 77 CO -0.03 -0.81 0.89 -0.55 0.98 0.00 0.00 173.24 173.73 1a7a s SER 78 N -2.63 6.31 -0.09 7.02 0.15 -1.26 -1.90 113.70 121.31 1a7a s SER 78 Ca 0.01 1.20 0.18 0.00 0.70 0.00 0.00 55.95 58.03 1a7a s SER 78 Cb 0.01 -2.36 0.66 0.00 -1.71 0.00 0.00 66.02 62.62 1a7a s SER 78 CO -0.10 -0.67 1.55 0.00 1.20 0.00 0.00 173.24 175.23 1a7a s ASN 80 N -0.88 -0.71 0.54 0.00 3.84 -1.26 -4.90 114.94 111.56 1a7a s ASN 80 Ca 0.47 1.37 0.34 0.00 0.21 0.00 0.00 52.86 55.25 1a7a s ASN 80 Cb 0.29 1.38 1.49 0.00 -0.55 0.00 0.00 41.25 43.86 1a7a s ASN 80 CO 0.24 -0.24 2.02 0.16 -2.79 0.00 0.00 177.10 176.49 1a7a h ILE 81 N 3.95 0.00 0.00 -5.21 3.07 -1.90 -3.26 117.51 114.16 1a7a h ILE 81 Ca -0.29 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.71 1a7a h ILE 81 Cb 1.16 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 1a7a h ILE 81 CO 0.06 0.00 -1.53 0.49 -1.05 0.00 0.00 178.15 176.12 1a7a n PHE 82 N -3.01 0.00 0.65 0.16 3.72 -1.26 -0.53 117.46 117.19 1a7a n PHE 82 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1a7a n PHE 82 Cb 0.26 -0.28 0.41 0.00 -0.94 0.00 0.00 39.48 38.93 1a7a n PHE 82 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1a7a n SER 83 N -1.91 0.02 -4.77 4.37 3.41 -1.23 -4.50 113.62 109.01 1a7a n SER 83 Ca -0.02 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.70 1a7a n SER 83 Cb 0.33 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1a7a n SER 83 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a7a s THR 84 N -3.01 2.84 -0.34 6.66 2.01 -1.26 -4.59 115.64 117.94 1a7a s THR 84 Ca 0.09 0.75 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 1a7a s THR 84 Cb 0.12 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.26 1a7a s THR 84 CO 0.35 0.11 0.10 -1.10 -0.69 0.00 0.00 174.62 173.38 1a7a s GLN 85 N -2.17 2.40 0.17 4.92 -0.21 -1.26 -4.12 119.66 119.39 1a7a s GLN 85 Ca 0.55 -1.38 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 1a7a s GLN 85 Cb -0.36 -3.40 0.11 0.00 1.00 0.00 0.00 33.01 30.37 1a7a s GLN 85 CO 0.46 -0.76 1.64 -0.91 -2.12 0.00 0.00 175.29 173.60 1a7a h ASN 86 N 8.10 -0.60 -0.50 5.90 2.35 -1.94 0.94 115.58 129.84 1a7a h ASN 86 Ca -0.20 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1a7a h ASN 86 Cb 1.07 0.34 -0.03 0.00 0.05 0.00 0.00 38.32 39.75 1a7a h ASN 86 CO 0.61 -0.21 0.33 1.12 -1.65 0.00 0.00 177.43 177.63 1a7a h HIS 87 N -0.08 0.62 -0.18 1.19 2.07 -1.90 0.64 115.15 117.50 1a7a h HIS 87 Ca 0.21 0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 57.55 1a7a h HIS 87 Cb 0.40 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 30.17 1a7a h HIS 87 CO -0.43 0.39 -0.64 0.00 -3.07 0.00 0.00 177.93 174.18 1a7a h ALA 88 N 1.69 0.53 0.28 6.11 0.00 -1.69 -0.03 119.26 126.15 1a7a h ALA 88 Ca 0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1a7a h ALA 88 Cb -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1a7a h ALA 88 CO -0.04 0.70 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1a7a h ALA 89 N 0.80 -0.41 0.04 0.00 0.00 0.13 -2.69 119.26 117.12 1a7a h ALA 89 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1a7a h ALA 89 Cb 1.22 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1a7a h ALA 89 CO 0.13 -0.73 -0.15 0.00 0.00 0.00 0.00 179.25 178.49 1a7a h ALA 90 N 0.30 -0.21 -0.81 0.00 0.00 0.28 -1.86 119.26 116.96 1a7a h ALA 90 Ca -0.03 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1a7a h ALA 90 Cb 0.34 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1a7a h ALA 90 CO 0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 179.25 178.53 1a7a h ALA 91 N 0.63 0.69 -0.50 0.00 0.00 -0.89 0.22 119.26 119.41 1a7a h ALA 91 Ca 0.04 0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1a7a h ALA 91 Cb 0.31 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1a7a h ALA 91 CO -0.12 -0.43 0.11 0.82 0.00 0.00 0.00 179.25 179.63 1a7a h ILE 92 N 0.04 1.24 0.18 0.00 1.08 -1.11 -2.17 117.51 116.77 1a7a h ILE 92 Ca 0.42 -0.88 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1a7a h ILE 92 Cb 0.71 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1a7a h ILE 92 CO -0.78 0.32 -0.19 0.00 -0.69 0.00 0.00 178.15 176.80 1a7a h ALA 93 N 0.98 -0.39 -0.18 1.87 0.00 0.06 0.04 119.26 121.66 1a7a h ALA 93 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1a7a h ALA 93 Cb 0.36 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a7a h ALA 93 CO 0.01 -0.74 0.27 -0.22 0.00 0.00 0.00 179.25 178.56 1a7a h LYS 94 N -0.42 0.00 0.00 0.00 3.64 -0.58 0.36 116.57 119.58 1a7a h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a7a h LYS 94 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1a7a h LYS 94 CO -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.12 1a7a n ALA 95 N -2.21 2.49 -1.44 5.00 0.00 -0.01 -4.85 120.51 119.48 1a7a n ALA 95 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1a7a n ALA 95 Cb 0.38 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1a7a n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a7a n GLY 96 N 0.76 0.45 3.35 0.00 0.00 0.13 -5.04 105.19 104.84 1a7a n GLY 96 Ca 0.19 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1a7a n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a7a s ILE 97 N -2.00 3.40 -0.20 -0.61 1.01 -1.13 -5.06 121.20 116.60 1a7a s ILE 97 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 1a7a s ILE 97 Cb 0.00 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 1a7a s ILE 97 CO 0.00 0.46 2.19 -2.65 0.00 0.00 0.00 174.94 174.94 1a7a n PRO 98 N 4.32 1.98 -5.22 2.79 -0.02 -1.26 -4.05 135.00 133.54 1a7a n PRO 98 Ca -0.18 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 1a7a n PRO 98 Cb 0.51 -3.14 -0.16 0.00 -0.02 0.00 0.00 33.50 30.70 1a7a n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a7a s VAL 99 N 7.78 1.92 -0.43 -1.45 1.01 -1.26 -0.62 120.40 127.35 1a7a s VAL 99 Ca 1.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1a7a s VAL 99 Cb -0.40 -1.60 0.16 0.00 0.00 0.00 0.00 36.38 34.54 1a7a s VAL 99 CO 0.37 0.54 0.31 -0.31 0.00 0.00 0.00 175.10 176.01 1a7a s TYR 100 N -0.53 1.41 -0.07 5.22 1.51 0.15 -0.33 117.35 124.72 1a7a s TYR 100 Ca 0.08 -2.27 -0.29 0.00 -1.01 0.00 0.00 57.07 53.58 1a7a s TYR 100 Cb -0.10 -1.27 0.11 0.00 -0.11 0.00 0.00 41.96 40.58 1a7a s TYR 100 CO -0.01 -0.79 0.88 0.00 -1.11 0.00 0.00 175.55 174.53 1a7a s ALA 101 N 0.21 -1.85 -0.22 3.71 0.00 -1.04 -4.10 121.76 118.46 1a7a s ALA 101 Ca 0.26 1.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.23 1a7a s ALA 101 Cb -0.09 -0.12 0.13 0.00 0.00 0.00 0.00 23.12 23.04 1a7a s ALA 101 CO -0.11 -0.47 1.04 1.67 0.00 0.00 0.00 175.76 177.89 1a7a s TRP 102 N -1.93 -0.39 0.04 0.00 -2.14 -1.26 -4.24 118.94 109.02 1a7a s TRP 102 Ca -0.01 0.81 -0.30 0.00 2.66 0.00 0.00 56.10 59.26 1a7a s TRP 102 Cb -0.01 0.42 -0.08 0.00 -3.10 0.00 0.00 33.47 30.70 1a7a s TRP 102 CO -0.01 -0.27 1.70 0.21 -2.66 0.00 0.00 176.95 175.92 1a7a s LYS 103 N -0.50 4.18 0.00 3.25 2.20 -1.26 -3.37 119.74 124.24 1a7a s LYS 103 Ca 0.01 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1a7a s LYS 103 Cb -0.03 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1a7a s LYS 103 CO -0.03 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1a7a n GLY 104 N 4.11 1.14 3.78 5.54 0.00 0.31 -5.01 105.19 115.06 1a7a n GLY 104 Ca 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1a7a n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a7a s GLU 105 N -0.73 1.02 0.21 1.61 2.02 -0.79 -5.03 118.70 117.00 1a7a s GLU 105 Ca 0.00 0.28 0.08 0.00 0.02 0.00 0.00 54.97 55.35 1a7a s GLU 105 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1a7a s GLU 105 CO 0.00 -2.28 -0.01 0.95 0.02 0.00 0.00 175.26 173.94 1a7a s THR 106 N -3.27 3.56 0.37 3.63 -4.23 -1.26 -4.89 115.64 109.56 1a7a s THR 106 Ca 0.64 -1.63 0.18 0.00 -1.18 0.00 0.00 61.69 59.70 1a7a s THR 106 Cb -0.15 -2.83 0.37 0.00 1.34 0.00 0.00 72.50 71.24 1a7a s THR 106 CO 0.54 -0.21 1.68 0.44 -0.54 0.00 0.00 174.62 176.53 1a7a h ASP 107 N 2.42 0.46 0.10 3.99 3.32 -1.99 0.51 116.42 125.23 1a7a h ASP 107 Ca -0.46 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1a7a h ASP 107 Cb 1.22 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1a7a h ASP 107 CO 0.58 -0.08 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.64 1a7a h GLU 108 N 0.31 -0.13 -0.91 3.56 3.07 -1.99 -2.44 114.58 116.06 1a7a h GLU 108 Ca 0.72 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.65 1a7a h GLU 108 Cb 1.78 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.66 1a7a h GLU 108 CO -0.50 0.33 0.59 0.93 -1.40 0.00 0.00 179.01 178.96 1a7a h GLU 109 N -0.65 0.99 0.34 2.33 5.08 -1.27 0.20 114.58 121.60 1a7a h GLU 109 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1a7a h GLU 109 Cb 0.51 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1a7a h GLU 109 CO 0.02 0.65 -0.48 -0.92 -1.00 0.00 0.00 179.01 177.29 1a7a h TYR 110 N 1.02 -1.33 -0.50 4.33 3.20 -0.05 0.78 116.97 124.43 1a7a h TYR 110 Ca 0.39 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.34 1a7a h TYR 110 Cb 0.22 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1a7a h TYR 110 CO -0.00 -0.61 0.33 1.25 -1.64 0.00 0.00 178.16 177.49 1a7a h LEU 111 N -0.86 0.40 -0.18 2.82 7.12 -0.87 -2.19 115.31 121.55 1a7a h LEU 111 Ca -0.03 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 1a7a h LEU 111 Cb 0.79 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 1a7a h LEU 111 CO -0.14 0.27 0.06 -0.25 -0.13 0.00 0.00 178.44 178.25 1a7a h TRP 112 N 0.46 0.28 0.20 1.25 7.01 0.40 -2.97 115.95 122.58 1a7a h TRP 112 Ca 0.21 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1a7a h TRP 112 Cb 0.26 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 1a7a h TRP 112 CO -0.00 0.35 -0.21 0.00 -2.79 0.00 0.00 178.44 175.79 1a7a h ILE 114 N -0.45 0.21 -0.89 0.00 2.04 -1.53 -0.41 117.51 116.47 1a7a h ILE 114 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.03 1a7a h ILE 114 Cb 0.43 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 1a7a h ILE 114 CO -0.06 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.24 1a7a h GLU 115 N -0.18 0.62 0.00 2.37 5.08 -1.34 0.97 114.58 122.10 1a7a h GLU 115 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1a7a h GLU 115 Cb 0.54 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1a7a h GLU 115 CO -0.63 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 178.83 1a7a n GLN 116 N -4.86 0.07 0.00 2.33 1.13 -0.17 -2.01 117.38 113.87 1a7a n GLN 116 Ca 0.19 0.51 0.11 0.00 -1.94 0.00 0.00 57.00 55.87 1a7a n GLN 116 Cb 0.49 -1.71 -0.13 0.00 0.11 0.00 0.00 30.24 29.01 1a7a n GLN 116 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a7a n THR 117 N -1.85 0.05 -0.18 5.09 -2.24 0.33 -4.53 114.28 110.96 1a7a n THR 117 Ca 0.00 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1a7a n THR 117 Cb 0.06 0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1a7a n THR 117 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1a7a h LEU 118 N 0.00 0.39 -9.06 3.22 3.38 -1.39 -3.43 115.31 108.42 1a7a h LEU 118 Ca 0.00 0.03 -0.62 0.00 0.09 0.00 0.00 57.88 57.38 1a7a h LEU 118 Cb 0.84 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 1a7a h LEU 118 CO 0.00 0.26 -0.58 -0.31 0.09 0.00 0.00 178.44 177.91 1a7a s TYR 119 N -6.12 3.22 0.43 1.13 1.51 -1.26 -2.51 117.35 113.74 1a7a s TYR 119 Ca -0.13 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1a7a s TYR 119 Cb 0.14 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1a7a s TYR 119 CO 0.74 0.13 0.47 -0.06 -1.11 0.00 0.00 175.55 175.71 1a7a s PHE 120 N 0.37 2.67 0.11 2.71 0.40 0.23 -4.99 117.98 119.49 1a7a s PHE 120 Ca 0.02 -0.48 0.31 0.00 -0.60 0.00 0.00 56.93 56.18 1a7a s PHE 120 Cb -0.13 -2.25 1.64 0.00 0.51 0.00 0.00 43.02 42.80 1a7a s PHE 120 CO 0.01 -0.28 1.94 -0.22 0.70 0.00 0.00 175.22 177.36 1a7a h LYS 121 N 0.84 0.00 -0.09 0.44 3.64 -2.00 -2.35 116.57 117.05 1a7a h LYS 121 Ca -0.40 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 1a7a h LYS 121 Cb 1.27 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.89 1a7a h LYS 121 CO 0.52 0.00 -0.76 -0.40 -2.27 0.00 0.00 179.45 176.54 1a7a n ASP 122 N -2.60 1.73 0.00 4.20 5.75 -1.26 -5.11 116.55 119.26 1a7a n ASP 122 Ca -0.02 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.68 1a7a n ASP 122 Cb 0.07 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1a7a n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a7a n GLY 123 N -0.47 1.27 3.78 6.12 0.00 -0.89 -5.09 105.19 109.92 1a7a n GLY 123 Ca 0.16 -2.28 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1a7a n GLY 123 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a7a s PRO 124 N -1.24 2.24 0.44 1.61 0.02 -1.26 -0.60 135.00 136.21 1a7a s PRO 124 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 61.00 61.76 1a7a s PRO 124 Cb 0.00 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 1a7a s PRO 124 CO 0.00 -1.60 0.88 1.47 -0.33 0.00 0.00 177.00 177.42 1a7a n LEU 125 N -3.47 2.03 -0.80 -5.54 -0.00 -1.05 -4.84 117.00 103.33 1a7a n LEU 125 Ca 0.08 0.97 0.11 0.00 -0.00 0.00 0.00 56.01 57.18 1a7a n LEU 125 Cb 0.54 -1.29 0.07 0.00 -0.00 0.00 0.00 43.42 42.74 1a7a n LEU 125 CO 0.55 -1.91 0.53 0.59 -0.00 0.00 0.00 177.39 177.15 1a7a n ASN 126 N 0.57 2.67 -3.58 1.45 3.02 0.63 -4.21 115.26 115.81 1a7a n ASN 126 Ca 0.10 -1.84 -0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1a7a n ASN 126 Cb 0.40 0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1a7a n ASN 126 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a7a s ILE 128 N -2.07 -0.90 -0.37 2.41 1.01 -0.75 0.10 121.20 120.63 1a7a s ILE 128 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 1a7a s ILE 128 Cb 0.19 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.74 1a7a s ILE 128 CO 0.36 0.00 0.13 -0.22 0.00 0.00 0.00 174.94 175.22 1a7a s LEU 129 N 2.82 4.69 0.22 2.97 0.20 -0.93 -0.63 118.68 128.01 1a7a s LEU 129 Ca -0.04 -1.62 0.10 0.00 0.69 0.00 0.00 54.13 53.26 1a7a s LEU 129 Cb -0.11 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 1a7a s LEU 129 CO -0.19 -0.42 -0.13 -0.62 -0.29 0.00 0.00 176.35 174.70 1a7a s ASP 130 N 1.62 4.01 -0.33 3.68 -1.08 0.02 -1.86 116.67 122.72 1a7a s ASP 130 Ca 0.02 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.30 1a7a s ASP 130 Cb -0.21 -0.57 0.13 0.00 -1.46 0.00 0.00 42.92 40.81 1a7a s ASP 130 CO -0.02 0.08 0.18 -0.62 0.52 0.00 0.00 175.17 175.31 1a7a s ASP 131 N -3.07 3.15 0.00 -0.34 -1.08 -1.11 -1.70 116.67 112.52 1a7a s ASP 131 Ca 0.26 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.42 1a7a s ASP 131 Cb -0.07 -0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.01 1a7a s ASP 131 CO 0.15 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1a7a n GLY 132 N 4.46 1.96 1.57 2.66 0.00 -1.26 -4.69 105.19 109.89 1a7a n GLY 132 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1a7a n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a7a n GLY 133 N -0.04 0.77 0.20 -0.02 0.00 -1.26 -3.98 105.19 100.86 1a7a n GLY 133 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1a7a n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a7a h ASP 134 N 0.00 0.55 0.69 1.61 3.32 -1.93 0.37 116.42 121.04 1a7a h ASP 134 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1a7a h ASP 134 Cb 0.00 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.41 1a7a h ASP 134 CO 0.00 0.51 -0.33 0.25 -1.72 0.00 0.00 179.24 177.95 1a7a h LEU 135 N 0.56 -0.78 -1.66 1.55 6.46 -1.92 0.15 115.31 119.66 1a7a h LEU 135 Ca 0.15 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.04 1a7a h LEU 135 Cb 0.10 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1a7a h LEU 135 CO -0.02 -0.43 0.46 0.71 -0.62 0.00 0.00 178.44 178.54 1a7a h THR 136 N -1.17 0.82 -0.12 1.05 1.35 -1.97 -0.90 112.91 111.97 1a7a h THR 136 Ca -0.09 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 65.53 1a7a h THR 136 Cb 0.74 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1a7a h THR 136 CO 0.16 0.06 -0.38 -1.13 -0.25 0.00 0.00 175.52 173.98 1a7a h ASN 137 N 0.35 0.54 -0.02 5.36 -0.73 -0.08 -2.54 115.58 118.47 1a7a h ASN 137 Ca 0.32 -0.60 0.02 0.00 1.87 0.00 0.00 56.30 57.91 1a7a h ASN 137 Cb 0.78 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1a7a h ASN 137 CO -0.09 1.05 -0.11 0.25 -0.37 0.00 0.00 177.43 178.16 1a7a h LEU 138 N 0.06 -0.33 0.24 0.34 5.85 0.56 -1.37 115.31 120.66 1a7a h LEU 138 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1a7a h LEU 138 Cb 1.00 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1a7a h LEU 138 CO 0.08 -0.16 -0.20 0.40 -0.34 0.00 0.00 178.44 178.22 1a7a h ILE 139 N -0.18 0.56 -0.45 4.05 2.04 -1.27 0.93 117.51 123.19 1a7a h ILE 139 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.02 1a7a h ILE 139 Cb 0.24 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1a7a h ILE 139 CO -0.13 0.00 0.32 0.45 0.00 0.00 0.00 178.15 178.79 1a7a h HIS 140 N -0.46 0.09 0.00 1.37 3.86 -1.31 0.22 115.15 118.92 1a7a h HIS 140 Ca -0.01 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.84 1a7a h HIS 140 Cb 0.42 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 1a7a h HIS 140 CO -0.14 0.04 -2.30 0.25 0.86 0.00 0.00 177.93 176.65 1a7a n THR 141 N -4.43 1.42 0.11 2.45 -2.24 -0.53 -4.37 114.28 106.70 1a7a n THR 141 Ca 0.07 -0.85 0.01 0.00 -2.27 0.00 0.00 64.05 61.01 1a7a n THR 141 Cb 0.46 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1a7a n THR 141 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a7a n LYS 142 N -2.79 5.93 -2.66 -0.78 4.76 0.32 -4.76 118.16 118.17 1a7a n LYS 142 Ca -0.31 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.06 1a7a n LYS 142 Cb 1.15 -0.64 0.04 0.00 -1.84 0.00 0.00 35.03 33.74 1a7a n LYS 142 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1a7a n TYR 143 N -1.08 1.57 0.31 2.13 4.02 0.68 -4.90 117.16 119.89 1a7a n TYR 143 Ca 0.00 -2.32 0.11 0.00 -0.01 0.00 0.00 57.90 55.69 1a7a n TYR 143 Cb 0.04 -0.27 0.60 0.00 -0.02 0.00 0.00 39.34 39.69 1a7a n TYR 143 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1a7a h PRO 144 N 2.61 0.00 -0.01 -0.72 0.13 -1.53 0.16 132.00 132.64 1a7a h PRO 144 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1a7a h PRO 144 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1a7a h PRO 144 CO 0.36 0.00 -0.58 1.96 -0.23 0.00 0.00 178.00 179.51 1a7a h GLN 145 N 0.00 0.04 0.00 0.86 7.50 -1.90 -2.94 115.11 118.67 1a7a h GLN 145 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 1a7a h GLN 145 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.45 1a7a h GLN 145 CO 0.00 0.61 -0.36 -0.07 -1.50 0.00 0.00 178.83 177.51 1a7a h LEU 146 N 0.03 0.00 -0.13 1.46 3.38 -1.04 -3.38 115.31 115.62 1a7a h LEU 146 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a7a h LEU 146 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1a7a h LEU 146 CO 0.08 0.00 -0.29 0.25 0.09 0.00 0.00 178.44 178.57 1a7a h LEU 147 N 0.00 -0.94 0.00 1.67 5.85 -1.48 0.21 115.31 120.62 1a7a h LEU 147 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1a7a h LEU 147 Cb 0.98 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1a7a h LEU 147 CO 0.00 -0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 177.05 1a7a n PRO 148 N -4.09 0.00 -0.00 5.25 -0.04 -1.26 0.29 135.00 135.15 1a7a n PRO 148 Ca -0.03 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1a7a n PRO 148 Cb 0.19 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1a7a n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a7a n GLY 149 N -0.78 -0.75 3.73 0.55 0.00 0.72 -4.95 105.19 103.71 1a7a n GLY 149 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1a7a n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a7a s ILE 150 N -2.94 5.13 -0.11 -0.61 1.01 0.14 -4.55 121.20 119.28 1a7a s ILE 150 Ca 0.01 1.02 0.16 0.00 0.00 0.00 0.00 60.65 61.84 1a7a s ILE 150 Cb 0.13 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 1a7a s ILE 150 CO 0.75 0.35 0.88 -0.09 0.00 0.00 0.00 174.94 176.82 1a7a h ARG 151 N 6.46 0.00 -1.48 2.79 2.43 0.39 -3.47 114.38 121.49 1a7a h ARG 151 Ca -0.42 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.90 1a7a h ARG 151 Cb 1.19 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.51 1a7a h ARG 151 CO 0.74 0.34 0.68 0.20 -1.51 0.00 0.00 179.97 180.42 1a7a s GLY 152 N -4.79 -0.20 -0.00 2.80 0.00 -1.24 -4.41 107.32 99.49 1a7a s GLY 152 Ca -0.02 2.10 0.03 0.00 0.00 0.00 0.00 44.72 46.82 1a7a s GLY 152 CO 0.81 0.93 -0.06 -0.42 0.00 0.00 0.00 173.10 174.35 1a7a s ILE 153 N -1.42 3.69 -0.27 0.90 1.01 0.25 -1.81 121.20 123.54 1a7a s ILE 153 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1a7a s ILE 153 Cb -0.01 -2.60 0.09 0.00 0.01 0.00 0.00 42.46 39.95 1a7a s ILE 153 CO -0.03 0.41 0.07 -0.55 0.00 0.00 0.00 174.94 174.85 1a7a s SER 154 N -1.36 3.63 -0.06 3.58 0.15 0.20 -0.67 113.70 119.18 1a7a s SER 154 Ca 0.17 -1.33 -0.06 0.00 0.70 0.00 0.00 55.95 55.42 1a7a s SER 154 Cb -0.11 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1a7a s SER 154 CO 0.07 -0.38 0.19 -0.70 1.20 0.00 0.00 173.24 173.63 1a7a s GLU 155 N 1.73 3.50 -0.09 5.44 -6.30 -1.00 -0.79 118.70 121.18 1a7a s GLU 155 Ca 0.06 -0.13 0.08 0.00 -2.50 0.00 0.00 54.97 52.47 1a7a s GLU 155 Cb -0.17 -3.14 -0.11 0.00 0.00 0.00 0.00 34.13 30.71 1a7a s GLU 155 CO -0.20 0.72 0.03 -1.91 0.02 0.00 0.00 175.26 173.92 1a7a n GLU 156 N 1.52 2.57 -4.06 4.30 2.13 -0.69 -1.55 120.64 124.87 1a7a n GLU 156 Ca -0.15 -0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.44 1a7a n GLU 156 Cb 0.54 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.98 1a7a n GLU 156 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1a7a s THR 157 N -2.21 4.26 0.20 6.31 -1.32 -1.26 -3.17 115.64 118.45 1a7a s THR 157 Ca -0.04 -1.40 -0.11 0.00 -1.21 0.00 0.00 61.69 58.93 1a7a s THR 157 Cb 0.03 -3.36 0.13 0.00 -1.51 0.00 0.00 72.50 67.79 1a7a s THR 157 CO 0.36 -0.32 1.74 0.74 -2.21 0.00 0.00 174.62 174.93 1a7a h THR 158 N 1.45 0.77 -0.39 5.08 2.02 -1.97 -1.70 112.91 118.17 1a7a h THR 158 Ca -0.48 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1a7a h THR 158 Cb 1.24 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1a7a h THR 158 CO 0.60 0.07 0.02 0.74 0.37 0.00 0.00 175.52 177.32 1a7a h THR 159 N 0.36 1.21 0.33 3.16 2.02 -1.96 -0.37 112.91 117.66 1a7a h THR 159 Ca 0.28 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1a7a h THR 159 Cb 0.34 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1a7a h THR 159 CO -0.30 0.28 -0.16 1.23 0.37 0.00 0.00 175.52 176.95 1a7a h GLY 160 N 0.87 -0.47 1.02 2.16 0.00 -1.53 -2.90 103.07 102.23 1a7a h GLY 160 Ca 0.12 0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.73 1a7a h GLY 160 CO 0.01 -0.17 0.40 -2.08 0.00 0.00 0.00 176.54 174.70 1a7a h VAL 161 N -0.78 0.87 -0.38 4.60 2.07 -1.21 -0.77 116.25 120.65 1a7a h VAL 161 Ca -0.05 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1a7a h VAL 161 Cb 0.51 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1a7a h VAL 161 CO 0.08 0.06 0.22 -0.74 0.02 0.00 0.00 177.57 177.21 1a7a h HIS 162 N 0.34 0.50 -0.24 1.57 6.17 -0.94 -2.35 115.15 120.21 1a7a h HIS 162 Ca 0.27 -0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.26 1a7a h HIS 162 Cb 0.62 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.37 1a7a h HIS 162 CO -0.00 0.36 -0.24 -0.91 0.71 0.00 0.00 177.93 177.85 1a7a h ASN 163 N 0.49 0.44 -0.50 3.26 4.21 -0.97 -2.39 115.58 120.13 1a7a h ASN 163 Ca 0.13 -0.14 0.04 0.00 1.21 0.00 0.00 56.30 57.54 1a7a h ASN 163 Cb 0.01 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.04 1a7a h ASN 163 CO -0.03 0.69 0.25 -0.07 -1.29 0.00 0.00 177.43 176.99 1a7a h LEU 164 N 0.40 0.37 -0.88 1.61 3.38 -0.89 -1.54 115.31 117.75 1a7a h LEU 164 Ca 0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1a7a h LEU 164 Cb 0.64 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1a7a h LEU 164 CO 0.05 0.26 0.03 1.88 0.09 0.00 0.00 178.44 180.74 1a7a h TYR 165 N 0.50 0.91 0.00 1.13 0.05 -1.28 -3.41 116.97 114.87 1a7a h TYR 165 Ca 0.22 -0.13 -0.54 0.00 0.05 0.00 0.00 58.73 58.33 1a7a h TYR 165 Cb 0.12 -0.25 0.09 0.00 1.01 0.00 0.00 36.73 37.70 1a7a h TYR 165 CO -0.10 0.82 1.73 1.17 -1.05 0.00 0.00 178.16 180.73 1a7a n LYS 166 N -4.22 0.64 0.00 4.88 4.81 -0.58 -4.61 118.16 119.07 1a7a n LYS 166 Ca 0.03 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.20 1a7a n LYS 166 Cb 0.30 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1a7a n LYS 166 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a7a n ALA 169 N 7.81 0.00 -1.68 3.14 0.00 -1.26 -4.76 120.51 123.76 1a7a n ALA 169 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 1a7a n ALA 169 Cb 0.36 -0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.94 1a7a n ALA 169 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a7a n ASN 170 N 0.00 3.20 -1.73 0.00 3.02 -1.26 -4.95 115.26 113.54 1a7a n ASN 170 Ca 0.00 -3.83 -0.07 0.00 -0.03 0.00 0.00 54.58 50.65 1a7a n ASN 170 Cb 0.00 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1a7a n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a7a n GLY 171 N -0.99 0.21 0.08 7.41 0.00 -1.26 -4.77 105.19 105.86 1a7a n GLY 171 Ca 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1a7a n GLY 171 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a7a n ILE 172 N -2.12 1.03 -1.95 -0.61 5.41 -1.26 -4.89 119.36 114.96 1a7a n ILE 172 Ca -0.08 -0.75 -0.42 0.00 1.00 0.00 0.00 62.75 62.50 1a7a n ILE 172 Cb 0.38 -0.39 -0.03 0.00 -0.71 0.00 0.00 39.64 38.88 1a7a n ILE 172 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1a7a s LEU 173 N -5.30 4.35 0.00 1.39 1.98 -1.26 -4.86 118.68 114.97 1a7a s LEU 173 Ca -0.09 2.34 0.10 0.00 -2.89 0.00 0.00 54.13 53.59 1a7a s LEU 173 Cb 0.08 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.50 1a7a s LEU 173 CO 0.85 -0.93 0.88 0.29 -1.89 0.00 0.00 176.35 175.55 1a7a n LYS 174 N 6.86 0.78 -3.91 1.98 4.76 -1.26 -4.86 118.16 122.51 1a7a n LYS 174 Ca 0.17 -1.24 -0.11 0.00 -2.87 0.00 0.00 58.31 54.27 1a7a n LYS 174 Cb 0.42 -1.20 -0.13 0.00 -1.84 0.00 0.00 35.03 32.29 1a7a n LYS 174 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1a7a s VAL 175 N -0.86 0.04 0.25 -0.18 0.11 -1.26 -4.93 120.40 113.58 1a7a s VAL 175 Ca 0.13 -0.34 -0.31 0.00 -2.93 0.00 0.00 61.98 58.53 1a7a s VAL 175 Cb 0.09 -0.13 -0.12 0.00 -1.53 0.00 0.00 36.38 34.69 1a7a s VAL 175 CO 0.13 -0.19 1.67 -2.65 -3.33 0.00 0.00 175.10 170.73 1a7a n PRO 176 N 2.50 2.77 -4.24 1.54 -0.02 -1.26 -4.26 135.00 132.02 1a7a n PRO 176 Ca -0.17 0.99 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 1a7a n PRO 176 Cb 0.58 -2.82 -0.13 0.00 -0.02 0.00 0.00 33.50 31.12 1a7a n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a7a s ALA 177 N 0.61 1.15 -0.14 3.55 0.00 0.16 0.84 121.76 127.93 1a7a s ALA 177 Ca 0.70 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1a7a s ALA 177 Cb -0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1a7a s ALA 177 CO 0.40 0.18 -0.09 0.42 0.00 0.00 0.00 175.76 176.67 1a7a s ILE 178 N -1.08 3.42 -1.13 0.00 1.01 0.16 -1.00 121.20 122.57 1a7a s ILE 178 Ca -0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1a7a s ILE 178 Cb -0.09 -2.46 0.10 0.00 0.01 0.00 0.00 42.46 40.02 1a7a s ILE 178 CO 0.02 0.51 1.46 0.21 0.00 0.00 0.00 174.94 177.15 1a7a s ASN 179 N 0.32 6.77 0.24 3.58 2.47 0.22 -2.38 114.94 126.16 1a7a s ASN 179 Ca -0.08 -2.27 -0.03 0.00 0.42 0.00 0.00 52.86 50.91 1a7a s ASN 179 Cb -0.15 -2.49 0.27 0.00 -1.45 0.00 0.00 41.25 37.43 1a7a s ASN 179 CO 0.04 -1.12 1.70 0.58 -3.72 0.00 0.00 177.10 174.59 1a7a h VAL 180 N 5.68 1.26 -0.44 -5.21 2.07 -1.56 -3.23 116.25 114.83 1a7a h VAL 180 Ca 0.29 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1a7a h VAL 180 Cb 0.94 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1a7a h VAL 180 CO 1.32 0.39 0.10 -1.13 0.02 0.00 0.00 177.57 178.27 1a7a h ASN 181 N 0.70 0.03 -0.03 0.57 -0.73 -1.55 -1.42 115.58 113.16 1a7a h ASN 181 Ca 0.12 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1a7a h ASN 181 Cb 0.57 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1a7a h ASN 181 CO 0.04 0.05 0.00 0.47 -0.37 0.00 0.00 177.43 177.61 1a7a n ASP 182 N -5.09 0.98 -4.71 1.15 8.00 -1.22 -1.30 116.55 114.37 1a7a n ASP 182 Ca 0.04 -2.03 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1a7a n ASP 182 Cb 0.20 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1a7a n ASP 182 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a7a s SER 183 N -0.25 7.31 0.17 -2.24 0.15 -0.54 -4.90 113.70 113.41 1a7a s SER 183 Ca 0.02 1.70 -0.28 0.00 0.70 0.00 0.00 55.95 58.10 1a7a s SER 183 Cb 0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1a7a s SER 183 CO 0.01 -0.31 1.55 0.58 1.20 0.00 0.00 173.24 176.26 1a7a h VAL 184 N 4.79 0.01 0.00 4.45 2.07 -1.88 0.81 116.25 126.50 1a7a h VAL 184 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1a7a h VAL 184 Cb 1.21 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1a7a h VAL 184 CO 0.77 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.71 1a7a n THR 185 N -5.33 0.00 0.01 2.57 -2.24 -1.26 -1.94 114.28 106.09 1a7a n THR 185 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1a7a n THR 185 Cb 0.31 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1a7a n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a7a n LYS 186 N -0.15 0.00 -0.29 -0.78 0.00 0.25 -4.34 118.16 112.85 1a7a n LYS 186 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.33 1a7a n LYS 186 Cb 0.02 -0.09 0.22 0.00 0.00 0.00 0.00 35.03 35.18 1a7a n LYS 186 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a7a h SER 187 N 0.00 0.94 -0.30 3.14 4.64 -0.90 0.32 113.55 121.39 1a7a h SER 187 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a7a h SER 187 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1a7a h SER 187 CO 0.00 0.64 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 1a7a n LYS 188 N -4.45 1.75 0.02 4.77 4.76 -0.82 -3.74 118.16 120.44 1a7a n LYS 188 Ca 0.12 -1.09 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 1a7a n LYS 188 Cb 0.12 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1a7a n LYS 188 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1a7a n PHE 189 N 0.37 -0.31 0.01 2.13 3.01 -0.80 -4.72 117.46 117.15 1a7a n PHE 189 Ca 0.10 0.06 -0.10 0.00 1.01 0.00 0.00 57.45 58.51 1a7a n PHE 189 Cb 0.28 0.44 -0.07 0.00 -0.01 0.00 0.00 39.48 40.12 1a7a n PHE 189 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1a7a h ASP 190 N 0.00 -1.13 -0.47 4.37 1.82 -0.64 0.52 116.42 120.89 1a7a h ASP 190 Ca 0.00 0.13 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1a7a h ASP 190 Cb 0.00 0.44 -0.06 0.00 0.68 0.00 0.00 39.33 40.38 1a7a h ASP 190 CO 0.00 -0.33 0.09 0.78 -1.61 0.00 0.00 179.24 178.16 1a7a h ASN 191 N -0.42 -0.01 0.00 2.28 -0.26 -1.63 -0.22 115.58 115.33 1a7a h ASN 191 Ca 0.01 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1a7a h ASN 191 Cb 0.47 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1a7a h ASN 191 CO -0.27 0.03 0.00 -0.11 -1.06 0.00 0.00 177.43 176.02 1a7a n LEU 192 N -5.11 1.07 -0.20 1.61 7.94 -1.05 -3.49 117.00 117.76 1a7a n LEU 192 Ca 0.05 0.35 -0.03 0.00 -1.11 0.00 0.00 56.01 55.26 1a7a n LEU 192 Cb 0.22 -0.31 0.07 0.00 0.53 0.00 0.00 43.42 43.94 1a7a n LEU 192 CO 0.21 -0.31 1.06 1.88 -1.11 0.00 0.00 177.39 179.12 1a7a h TYR 193 N 0.00 0.57 0.06 1.96 0.05 -0.13 -1.76 116.97 117.72 1a7a h TYR 193 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1a7a h TYR 193 Cb 0.00 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.52 1a7a h TYR 193 CO 0.01 0.28 -0.51 0.78 -1.05 0.00 0.00 178.16 177.67 1a7a h GLY 194 N 0.59 -1.05 0.95 3.88 0.00 -0.38 -2.36 103.07 104.70 1a7a h GLY 194 Ca 0.26 0.62 0.02 0.00 0.00 0.00 0.00 47.33 48.22 1a7a h GLY 194 CO -0.17 -0.25 0.50 0.00 0.00 0.00 0.00 176.54 176.62 1a7a h ARG 196 N 1.00 0.00 0.00 0.00 2.43 -0.79 -1.02 114.38 116.01 1a7a h ARG 196 Ca 0.29 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.16 1a7a h ARG 196 Cb -0.06 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1a7a h ARG 196 CO -0.08 0.00 -2.14 0.39 -1.51 0.00 0.00 179.97 176.63 1a7a n GLU 197 N -4.13 1.13 0.06 0.20 1.02 -0.68 -4.62 120.64 113.63 1a7a n GLU 197 Ca 0.29 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1a7a n GLU 197 Cb 1.40 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 31.26 1a7a n GLU 197 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a7a h SER 198 N 0.00 0.17 0.31 1.62 4.64 -0.37 -3.28 113.55 116.65 1a7a h SER 198 Ca -0.45 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 60.66 1a7a h SER 198 Cb 1.94 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.97 1a7a h SER 198 CO 0.00 1.17 -0.22 0.25 -0.87 0.00 0.00 176.83 177.16 1a7a h LEU 199 N 0.03 -0.57 -1.30 5.97 5.85 -1.46 -1.09 115.31 122.74 1a7a h LEU 199 Ca -0.11 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1a7a h LEU 199 Cb 1.89 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 43.06 1a7a h LEU 199 CO 0.15 -0.34 0.49 0.40 -0.34 0.00 0.00 178.44 178.80 1a7a h ILE 200 N -0.53 1.11 0.28 4.05 1.08 -1.79 -1.73 117.51 119.99 1a7a h ILE 200 Ca -0.03 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1a7a h ILE 200 Cb 0.45 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1a7a h ILE 200 CO 0.01 0.17 -0.38 -0.78 -0.69 0.00 0.00 178.15 176.47 1a7a h ASP 201 N 0.90 -1.07 -0.41 1.72 1.82 -1.46 0.21 116.42 118.13 1a7a h ASP 201 Ca 0.30 0.10 0.05 0.00 -0.39 0.00 0.00 57.03 57.09 1a7a h ASP 201 Cb 0.07 0.38 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1a7a h ASP 201 CO -0.09 -0.50 0.14 1.23 -1.61 0.00 0.00 179.24 178.41 1a7a h GLY 202 N -0.72 0.53 0.99 -0.78 0.00 -0.72 -0.83 103.07 101.54 1a7a h GLY 202 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1a7a h GLY 202 CO -0.13 0.03 -0.07 -2.22 0.00 0.00 0.00 176.54 174.15 1a7a h ILE 203 N 0.31 0.86 0.24 2.60 2.04 -0.95 -2.03 117.51 120.58 1a7a h ILE 203 Ca 0.19 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1a7a h ILE 203 Cb 0.17 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1a7a h ILE 203 CO -0.19 0.00 -0.37 0.11 0.00 0.00 0.00 178.15 177.70 1a7a h LYS 204 N -0.21 -0.65 -0.58 2.37 1.79 -0.24 0.51 116.57 119.56 1a7a h LYS 204 Ca -0.02 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 1a7a h LYS 204 Cb 0.16 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 1a7a h LYS 204 CO 0.03 -0.43 0.39 0.00 -1.08 0.00 0.00 179.45 178.36 1a7a h ARG 205 N -0.68 0.45 0.03 3.15 3.08 -1.17 1.15 114.38 120.39 1a7a h ARG 205 Ca 0.00 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1a7a h ARG 205 Cb 0.66 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1a7a h ARG 205 CO -0.15 0.30 -1.24 0.00 -1.07 0.00 0.00 179.97 177.81 1a7a h ALA 206 N 1.70 0.40 0.00 0.04 0.00 -0.76 -3.42 119.26 117.22 1a7a h ALA 206 Ca 0.26 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1a7a h ALA 206 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1a7a h ALA 206 CO -0.07 1.28 -0.47 0.25 0.00 0.00 0.00 179.25 180.24 1a7a n THR 207 N -3.32 0.00 -1.71 0.00 -2.24 0.17 -4.97 114.28 102.21 1a7a n THR 207 Ca -0.06 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 1a7a n THR 207 Cb 0.98 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1a7a n THR 207 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a7a n ASP 208 N -0.72 -4.35 0.00 3.42 8.00 0.39 -5.00 116.55 118.29 1a7a n ASP 208 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1a7a n ASP 208 Cb 0.01 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1a7a n ASP 208 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1a7a n VAL 209 N -2.47 0.00 0.02 2.53 3.14 -1.26 -5.05 118.33 115.23 1a7a n VAL 209 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a7a n VAL 209 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1a7a n VAL 209 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1a7a n ILE 211 N 0.00 0.04 -1.47 1.55 2.08 -1.26 -4.89 119.36 115.41 1a7a n ILE 211 Ca 0.00 0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.91 1a7a n ILE 211 Cb 0.00 -0.77 0.01 0.00 -0.75 0.00 0.00 39.64 38.13 1a7a n ILE 211 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a7a n ALA 212 N -2.74 -1.30 -0.76 -1.39 0.00 -1.14 -2.12 120.51 111.06 1a7a n ALA 212 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1a7a n ALA 212 Cb 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1a7a n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a7a n GLY 213 N 1.72 0.84 3.81 0.00 0.00 0.20 -4.83 105.19 106.93 1a7a n GLY 213 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1a7a n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a7a s LYS 214 N -0.28 2.60 -0.31 1.61 1.02 -0.90 -4.92 119.74 118.56 1a7a s LYS 214 Ca 0.00 -1.39 -0.10 0.00 0.02 0.00 0.00 55.97 54.50 1a7a s LYS 214 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1a7a s LYS 214 CO 0.00 0.09 0.17 0.08 -0.92 0.00 0.00 175.35 174.77 1a7a s VAL 215 N -2.35 4.85 -0.05 3.17 1.01 -1.26 0.24 120.40 126.01 1a7a s VAL 215 Ca 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1a7a s VAL 215 Cb -0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1a7a s VAL 215 CO 0.25 0.10 0.02 0.00 0.00 0.00 0.00 175.10 175.47 1a7a s ALA 216 N 1.66 3.35 -0.14 5.51 0.00 -0.80 0.55 121.76 131.88 1a7a s ALA 216 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1a7a s ALA 216 Cb -0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1a7a s ALA 216 CO 0.08 0.62 -0.14 0.08 0.00 0.00 0.00 175.76 176.40 1a7a s VAL 217 N -1.00 2.82 -0.24 0.00 1.01 0.11 -0.02 120.40 123.08 1a7a s VAL 217 Ca 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1a7a s VAL 217 Cb -0.11 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.13 1a7a s VAL 217 CO 0.07 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1a7a s VAL 218 N 0.62 1.93 -0.31 2.92 1.01 0.43 -0.67 120.40 126.33 1a7a s VAL 218 Ca -0.08 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.21 1a7a s VAL 218 Cb -0.16 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1a7a s VAL 218 CO 0.03 0.01 1.04 0.00 0.00 0.00 0.00 175.10 176.18 1a7a s ALA 219 N 1.23 3.51 0.00 5.51 0.00 -0.29 -2.22 121.76 129.49 1a7a s ALA 219 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1a7a s ALA 219 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1a7a s ALA 219 CO -0.06 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1a7a n GLY 220 N 3.89 2.15 2.56 0.00 0.00 0.11 -0.79 105.19 113.11 1a7a n GLY 220 Ca 0.11 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1a7a n GLY 220 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1a7a n TYR 221 N 1.96 1.99 -1.39 1.61 9.36 -1.26 -4.34 117.16 125.09 1a7a n TYR 221 Ca 0.00 -2.68 0.00 0.00 3.32 0.00 0.00 57.90 58.54 1a7a n TYR 221 Cb 0.00 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.44 1a7a n TYR 221 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1a7a n GLY 222 N -0.36 0.42 0.24 2.98 0.00 -1.26 -4.41 105.19 102.79 1a7a n GLY 222 Ca 0.21 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.40 1a7a n GLY 222 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a7a h ASP 223 N 0.00 -0.11 -0.42 1.61 3.32 -1.92 0.29 116.42 119.18 1a7a h ASP 223 Ca 0.00 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1a7a h ASP 223 Cb 0.00 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1a7a h ASP 223 CO 0.00 -0.05 -0.16 0.58 -1.72 0.00 0.00 179.24 177.89 1a7a h VAL 224 N 0.20 1.27 0.36 -1.35 2.07 -1.92 -2.33 116.25 114.55 1a7a h VAL 224 Ca 0.34 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1a7a h VAL 224 Cb 0.54 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1a7a h VAL 224 CO -0.48 0.45 -0.17 1.23 0.02 0.00 0.00 177.57 178.62 1a7a h GLY 225 N 0.94 -0.50 -0.16 2.17 0.00 -1.39 -1.72 103.07 102.41 1a7a h GLY 225 Ca 0.12 0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.81 1a7a h GLY 225 CO 0.05 -0.18 0.19 0.50 0.00 0.00 0.00 176.54 177.10 1a7a h LYS 226 N -0.63 0.25 -0.01 4.80 1.57 -0.45 0.12 116.57 122.23 1a7a h LYS 226 Ca -0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a7a h LYS 226 Cb 0.46 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1a7a h LYS 226 CO 0.08 0.17 0.00 0.78 -0.57 0.00 0.00 179.45 179.91 1a7a h GLY 227 N 0.26 0.02 0.99 3.86 0.00 -1.27 -2.01 103.07 104.92 1a7a h GLY 227 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1a7a h GLY 227 CO -0.55 0.01 0.17 0.00 0.00 0.00 0.00 176.54 176.17 1a7a h ALA 229 N 1.08 -0.37 -0.74 0.00 0.00 -0.79 -0.64 119.26 117.81 1a7a h ALA 229 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a7a h ALA 229 Cb -0.02 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1a7a h ALA 229 CO -0.02 -0.74 0.46 0.37 0.00 0.00 0.00 179.25 179.31 1a7a h GLN 230 N -0.41 0.85 -0.25 0.00 4.15 -1.27 -1.97 115.11 116.22 1a7a h GLN 230 Ca 0.02 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1a7a h GLN 230 Cb 0.42 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1a7a h GLN 230 CO -0.11 0.56 0.11 0.00 -1.93 0.00 0.00 178.83 177.47 1a7a h ALA 231 N 1.33 0.30 0.70 3.38 0.00 -0.80 0.41 119.26 124.58 1a7a h ALA 231 Ca 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1a7a h ALA 231 Cb 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a7a h ALA 231 CO -0.13 -0.29 -0.33 -0.07 0.00 0.00 0.00 179.25 178.42 1a7a h LEU 232 N 0.24 -0.79 -1.83 0.00 3.38 -0.67 -2.67 115.31 112.97 1a7a h LEU 232 Ca 0.11 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1a7a h LEU 232 Cb 0.05 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1a7a h LEU 232 CO -0.09 -0.54 -0.13 0.08 0.09 0.00 0.00 178.44 177.84 1a7a h ARG 233 N -0.97 0.00 -1.05 1.13 0.11 -1.34 -0.78 114.38 111.48 1a7a h ARG 233 Ca -0.10 0.00 0.28 0.00 0.10 0.00 0.00 59.98 60.26 1a7a h ARG 233 Cb 0.73 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.73 1a7a h ARG 233 CO 0.16 0.13 0.70 0.78 0.10 0.00 0.00 179.97 181.84 1a7a h GLY 234 N 0.55 0.93 -1.02 0.08 0.00 -0.55 0.58 103.07 103.63 1a7a h GLY 234 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1a7a h GLY 234 CO 0.02 -0.10 0.00 0.69 0.00 0.00 0.00 176.54 177.15 1a7a n PHE 235 N -4.53 0.08 0.00 5.60 3.72 -0.31 -4.95 117.46 117.08 1a7a n PHE 235 Ca 0.25 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1a7a n PHE 235 Cb 0.94 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 1a7a n PHE 235 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a7a n GLY 236 N 1.23 1.18 3.92 1.37 0.00 0.20 -2.87 105.19 110.23 1a7a n GLY 236 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1a7a n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7a s ALA 237 N -2.00 3.93 -0.61 4.61 0.00 -1.16 0.62 121.76 127.14 1a7a s ALA 237 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 1a7a s ALA 237 Cb 0.00 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.30 1a7a s ALA 237 CO 0.00 0.71 0.77 0.50 0.00 0.00 0.00 175.76 177.74 1a7a s ARG 238 N -2.72 3.07 -0.18 0.00 3.52 0.14 -4.00 118.95 118.78 1a7a s ARG 238 Ca 0.37 -1.23 -0.29 0.00 -0.13 0.00 0.00 55.73 54.44 1a7a s ARG 238 Cb -0.12 -4.27 -0.00 0.00 -1.56 0.00 0.00 34.95 28.99 1a7a s ARG 238 CO 0.27 -1.61 1.08 0.08 -0.81 0.00 0.00 175.30 174.32 1a7a s VAL 239 N 2.97 4.61 -0.11 7.11 1.01 -1.26 -1.90 120.40 132.83 1a7a s VAL 239 Ca 0.14 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 64.03 1a7a s VAL 239 Cb -0.22 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1a7a s VAL 239 CO 0.07 -0.12 -0.02 -0.63 0.00 0.00 0.00 175.10 174.40 1a7a s ILE 240 N 2.90 4.07 0.03 2.22 1.01 0.97 -3.86 121.20 128.54 1a7a s ILE 240 Ca 0.48 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1a7a s ILE 240 Cb -0.18 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1a7a s ILE 240 CO 0.11 0.56 -0.25 -0.63 0.00 0.00 0.00 174.94 174.74 1a7a s ILE 241 N -0.41 2.00 0.04 2.92 1.01 -0.07 -0.43 121.20 126.27 1a7a s ILE 241 Ca 0.07 -1.27 0.08 0.00 0.00 0.00 0.00 60.65 59.52 1a7a s ILE 241 Cb -0.12 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1a7a s ILE 241 CO 0.02 0.38 -0.20 0.42 0.00 0.00 0.00 174.94 175.56 1a7a s THR 242 N -0.75 2.62 0.13 2.92 -4.23 -0.94 -0.42 115.64 114.97 1a7a s THR 242 Ca 0.10 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1a7a s THR 242 Cb -0.10 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.71 1a7a s THR 242 CO 0.01 0.35 0.47 -1.61 -0.54 0.00 0.00 174.62 173.30 1a7a s GLU 243 N -1.38 1.12 -0.01 3.99 0.41 -1.26 0.08 118.70 121.66 1a7a s GLU 243 Ca 0.14 -0.60 0.06 0.00 -0.41 0.00 0.00 54.97 54.16 1a7a s GLU 243 Cb -0.10 0.50 -0.08 0.00 -1.78 0.00 0.00 34.13 32.67 1a7a s GLU 243 CO 0.04 -0.45 0.17 0.44 -0.49 0.00 0.00 175.26 174.97 1a7a n ILE 244 N -0.21 0.00 -3.54 -1.63 -5.35 -1.26 -4.97 119.36 102.40 1a7a n ILE 244 Ca -0.17 -0.22 -0.38 0.00 -0.27 0.00 0.00 62.75 61.72 1a7a n ILE 244 Cb 0.64 0.60 -0.09 0.00 -1.74 0.00 0.00 39.64 39.05 1a7a n ILE 244 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1a7a s ASP 245 N -2.25 6.20 0.15 7.28 -1.08 -1.26 -5.00 116.67 120.71 1a7a s ASP 245 Ca -0.01 0.22 -0.20 0.00 -0.52 0.00 0.00 52.55 52.05 1a7a s ASP 245 Cb 0.04 -2.15 0.04 0.00 -1.46 0.00 0.00 42.92 39.39 1a7a s ASP 245 CO 0.24 -0.02 1.66 -0.65 0.52 0.00 0.00 175.17 176.92 1a7a h PRO 246 N 7.71 -0.10 0.45 4.34 0.11 -1.98 0.23 132.00 142.75 1a7a h PRO 246 Ca -0.36 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1a7a h PRO 246 Cb 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1a7a h PRO 246 CO 0.65 -0.07 -0.39 0.82 -0.21 0.00 0.00 178.00 178.80 1a7a h ILE 247 N -0.11 0.00 -0.86 4.15 2.04 -1.98 0.71 117.51 121.45 1a7a h ILE 247 Ca 0.15 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.19 1a7a h ILE 247 Cb 0.33 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.30 1a7a h ILE 247 CO -0.35 0.00 0.41 0.78 0.00 0.00 0.00 178.15 178.99 1a7a h ASN 248 N -0.83 0.42 0.08 1.72 2.35 -1.88 0.14 115.58 117.59 1a7a h ASN 248 Ca -0.06 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1a7a h ASN 248 Cb 0.70 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1a7a h ASN 248 CO -0.02 0.11 -0.04 0.00 -1.65 0.00 0.00 177.43 175.84 1a7a h ALA 249 N 1.62 -0.11 -0.78 -0.83 0.00 -0.37 -1.52 119.26 117.27 1a7a h ALA 249 Ca 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1a7a h ALA 249 Cb 0.83 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1a7a h ALA 249 CO -0.44 -0.56 0.52 1.25 0.00 0.00 0.00 179.25 180.01 1a7a h LEU 250 N -0.12 0.88 -0.00 0.00 5.85 0.21 -1.97 115.31 120.17 1a7a h LEU 250 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1a7a h LEU 250 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1a7a h LEU 250 CO 0.02 0.63 -0.17 1.56 -0.34 0.00 0.00 178.44 180.14 1a7a h GLN 251 N 1.04 -0.27 -0.10 1.25 4.20 -0.48 -2.66 115.11 118.09 1a7a h GLN 251 Ca 0.29 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1a7a h GLN 251 Cb -0.10 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 1a7a h GLN 251 CO -0.07 -0.18 -0.51 0.00 -0.67 0.00 0.00 178.83 177.40 1a7a h ALA 252 N 0.64 -0.88 0.00 3.87 0.00 -0.72 -0.05 119.26 122.12 1a7a h ALA 252 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a7a h ALA 252 Cb 0.35 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1a7a h ALA 252 CO -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 178.03 1a7a n ALA 253 N -2.97 0.78 0.00 0.00 0.00 -0.79 -2.06 120.51 115.47 1a7a n ALA 253 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a7a n ALA 253 Cb 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1a7a n ALA 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a7a n GLU 255 N 0.84 0.00 -0.19 0.00 -0.58 -0.03 -4.19 120.64 116.49 1a7a n GLU 255 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1a7a n GLU 255 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1a7a n GLU 255 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a7a n GLY 256 N 0.00 0.66 3.83 0.62 0.00 -0.88 -5.07 105.19 104.35 1a7a n GLY 256 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1a7a n GLY 256 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a7a s TYR 257 N -2.30 3.71 -0.02 1.61 2.02 -1.06 -5.04 117.35 116.28 1a7a s TYR 257 Ca 0.00 1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 57.48 1a7a s TYR 257 Cb 0.00 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 1a7a s TYR 257 CO 0.00 0.57 1.18 -2.00 -1.57 0.00 0.00 175.55 173.73 1a7a s GLU 258 N -1.37 4.39 -0.20 -0.62 2.12 -1.25 -3.65 118.70 118.11 1a7a s GLU 258 Ca 0.29 1.68 -0.05 0.00 0.36 0.00 0.00 54.97 57.25 1a7a s GLU 258 Cb -0.17 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1a7a s GLU 258 CO 0.17 -0.37 0.01 0.08 -0.54 0.00 0.00 175.26 174.61 1a7a s VAL 259 N 1.82 4.06 0.00 3.70 1.01 -1.26 -0.89 120.40 128.84 1a7a s VAL 259 Ca 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1a7a s VAL 259 Cb -0.26 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1a7a s VAL 259 CO 0.24 0.42 0.00 0.41 0.00 0.00 0.00 175.10 176.17 1a7a n THR 260 N 4.25 0.00 0.00 3.92 -1.04 0.44 -4.96 114.28 116.89 1a7a n THR 260 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1a7a n THR 260 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1a7a n THR 260 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a7a n THR 261 N 0.00 0.00 0.00 12.58 -2.24 -1.26 -4.03 114.28 119.33 1a7a n THR 261 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a7a n THR 261 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1a7a n THR 261 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a7a n ASP 263 N 0.00 0.00 -0.01 3.42 8.00 -1.26 -1.54 116.55 125.16 1a7a n ASP 263 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1a7a n ASP 263 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1a7a n ASP 263 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1a7a h GLU 264 N 0.00 -0.09 -0.02 -1.24 4.39 -2.02 -3.36 114.58 112.24 1a7a h GLU 264 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1a7a h GLU 264 Cb 0.00 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1a7a h GLU 264 CO 0.00 0.06 0.04 0.00 -1.16 0.00 0.00 179.01 177.95 1a7a h ALA 265 N -0.88 1.43 0.00 3.43 0.00 -1.66 -2.00 119.26 119.58 1a7a h ALA 265 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a7a h ALA 265 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a7a h ALA 265 CO 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 1a7a n GLN 267 N -3.37 1.02 -0.01 0.00 6.02 -0.75 -4.33 117.38 115.97 1a7a n GLN 267 Ca -0.02 -0.48 -0.01 0.00 -0.01 0.00 0.00 57.00 56.48 1a7a n GLN 267 Cb 0.16 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 1a7a n GLN 267 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1a7a n GLU 268 N -0.57 1.36 -1.72 -1.09 1.02 -0.28 -4.73 120.64 114.63 1a7a n GLU 268 Ca 0.16 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.90 1a7a n GLU 268 Cb 0.30 -1.03 0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1a7a n GLU 268 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a7a n GLY 269 N 3.27 0.63 0.00 0.62 0.00 -0.58 -4.70 105.19 104.44 1a7a n GLY 269 Ca -0.02 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1a7a n GLY 269 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a7a n ASN 270 N -0.26 2.39 -3.82 1.61 3.02 0.19 -4.24 115.26 114.15 1a7a n ASN 270 Ca 0.08 -0.12 -0.13 0.00 -0.03 0.00 0.00 54.58 54.37 1a7a n ASN 270 Cb 0.42 1.36 -0.14 0.00 -0.61 0.00 0.00 39.78 40.81 1a7a n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a7a s ILE 271 N -2.53 -0.02 -0.05 2.41 1.01 -1.09 -0.39 121.20 120.54 1a7a s ILE 271 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1a7a s ILE 271 Cb 0.06 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.43 1a7a s ILE 271 CO 0.40 0.03 -0.14 -0.36 0.00 0.00 0.00 174.94 174.86 1a7a s PHE 272 N 0.43 1.57 -0.10 3.97 0.40 0.22 0.08 117.98 124.55 1a7a s PHE 272 Ca -0.03 -0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1a7a s PHE 272 Cb -0.05 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.41 1a7a s PHE 272 CO -0.02 -0.22 -0.03 0.08 0.70 0.00 0.00 175.22 175.73 1a7a s VAL 273 N 0.35 0.69 -0.27 -0.44 1.01 0.15 -1.22 120.40 120.68 1a7a s VAL 273 Ca -0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1a7a s VAL 273 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1a7a s VAL 273 CO 0.03 0.26 0.31 0.42 0.00 0.00 0.00 175.10 176.12 1a7a s THR 274 N 1.84 5.23 -0.36 3.92 -4.23 -1.04 -1.13 115.64 119.86 1a7a s THR 274 Ca 0.04 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1a7a s THR 274 Cb -0.13 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.16 1a7a s THR 274 CO -0.07 0.20 0.97 0.35 -0.54 0.00 0.00 174.62 175.53 1a7a n THR 275 N 5.00 0.74 -0.74 3.99 -2.24 0.03 -1.64 114.28 119.42 1a7a n THR 275 Ca -0.10 -0.87 -0.29 0.00 -2.27 0.00 0.00 64.05 60.52 1a7a n THR 275 Cb 0.51 0.65 0.24 0.00 -2.10 0.00 0.00 70.33 69.63 1a7a n THR 275 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a7a s THR 276 N -0.82 1.82 -0.22 4.28 2.01 -1.06 -4.73 115.64 116.91 1a7a s THR 276 Ca 0.07 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.17 1a7a s THR 276 Cb 0.04 -2.23 0.20 0.00 0.01 0.00 0.00 72.50 70.52 1a7a s THR 276 CO 0.05 0.00 1.14 0.61 -0.69 0.00 0.00 174.62 175.73 1a7a n GLY 277 N 0.20 3.63 3.37 4.40 0.00 -1.26 -4.57 105.19 110.95 1a7a n GLY 277 Ca 0.06 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 1a7a n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7a s ILE 279 N -3.58 3.40 -0.93 0.00 -4.36 -1.26 -4.19 121.20 110.27 1a7a s ILE 279 Ca 0.37 0.69 -0.05 0.00 -0.26 0.00 0.00 60.65 61.39 1a7a s ILE 279 Cb 0.08 -3.21 -0.06 0.00 1.25 0.00 0.00 42.46 40.52 1a7a s ILE 279 CO 0.15 -0.36 0.81 0.47 0.24 0.00 0.00 174.94 176.25 1a7a n ASP 280 N -2.11 -5.86 -0.13 4.36 8.00 -1.19 -4.96 116.55 114.66 1a7a n ASP 280 Ca 0.10 -0.62 -0.25 0.00 0.71 0.00 0.00 54.79 54.73 1a7a n ASP 280 Cb 0.52 -4.65 -0.11 0.00 -0.02 0.00 0.00 41.12 36.86 1a7a n ASP 280 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1a7a n ILE 281 N -3.07 1.53 -4.03 0.53 2.08 -0.25 -4.86 119.36 111.29 1a7a n ILE 281 Ca -0.07 -0.43 -0.31 0.00 0.56 0.00 0.00 62.75 62.49 1a7a n ILE 281 Cb 0.61 -1.74 -0.15 0.00 -0.75 0.00 0.00 39.64 37.61 1a7a n ILE 281 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1a7a s ILE 282 N -2.50 1.98 0.40 1.39 1.01 -0.84 -4.99 121.20 117.64 1a7a s ILE 282 Ca -0.36 -1.56 0.03 0.00 0.00 0.00 0.00 60.65 58.76 1a7a s ILE 282 Cb 0.12 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1a7a s ILE 282 CO 0.55 -0.09 0.28 0.18 0.00 0.00 0.00 174.94 175.86 1a7a n LEU 283 N 4.49 0.00 -0.30 2.97 7.99 -1.26 -1.88 117.00 129.01 1a7a n LEU 283 Ca -0.12 -2.09 0.02 0.00 -0.01 0.00 0.00 56.01 53.80 1a7a n LEU 283 Cb 0.43 -0.01 0.16 0.00 -0.11 0.00 0.00 43.42 43.88 1a7a n LEU 283 CO 0.20 -0.49 1.17 1.23 -1.51 0.00 0.00 177.39 177.99 1a7a h GLY 284 N 0.50 1.29 -0.09 -0.72 0.00 -1.97 0.14 103.07 102.22 1a7a h GLY 284 Ca -0.26 -0.35 0.20 0.00 0.00 0.00 0.00 47.33 46.92 1a7a h GLY 284 CO 0.40 0.19 0.37 3.21 0.00 0.00 0.00 176.54 180.72 1a7a h ARG 285 N 0.88 0.41 0.13 4.80 3.08 -2.00 -1.03 114.38 120.66 1a7a h ARG 285 Ca 0.39 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 1a7a h ARG 285 Cb 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1a7a h ARG 285 CO -0.21 0.27 -0.06 0.45 -1.07 0.00 0.00 179.97 179.35 1a7a h HIS 286 N 0.43 -0.16 -0.83 3.04 3.86 -1.43 -3.31 115.15 116.75 1a7a h HIS 286 Ca 0.52 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.93 1a7a h HIS 286 Cb 0.92 0.05 -0.14 0.00 1.06 0.00 0.00 27.41 29.31 1a7a h HIS 286 CO -0.15 0.29 0.14 0.74 0.86 0.00 0.00 177.93 179.81 1a7a h PHE 287 N -0.89 0.19 0.00 2.45 0.04 -0.32 -0.67 116.94 117.74 1a7a h PHE 287 Ca -0.02 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1a7a h PHE 287 Cb 0.53 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1a7a h PHE 287 CO 0.10 -0.21 -0.06 0.93 -0.60 0.00 0.00 178.31 178.47 1a7a h GLU 288 N 0.17 0.00 -2.96 1.51 5.08 -1.30 -3.46 114.58 113.61 1a7a h GLU 288 Ca 0.49 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 58.05 1a7a h GLU 288 Cb 0.93 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.92 1a7a h GLU 288 CO -0.65 0.06 1.00 1.04 -1.00 0.00 0.00 179.01 179.45 1a7a n GLN 289 N -3.79 4.42 -4.28 2.33 6.02 -0.26 -5.03 117.38 116.79 1a7a n GLN 289 Ca -0.02 -4.40 -0.24 0.00 -0.01 0.00 0.00 57.00 52.32 1a7a n GLN 289 Cb 0.15 -2.57 -0.07 0.00 1.02 0.00 0.00 30.24 28.77 1a7a n GLN 289 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1a7a s LYS 291 N -2.41 2.30 0.29 -1.09 1.02 -1.26 -4.51 119.74 114.09 1a7a s LYS 291 Ca 0.33 -1.35 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 1a7a s LYS 291 Cb 0.06 -2.20 -0.14 0.00 -0.52 0.00 0.00 37.83 35.03 1a7a s LYS 291 CO 0.08 0.39 1.04 -3.47 -0.92 0.00 0.00 175.35 172.47 1a7a n ASP 292 N -0.69 1.42 -2.09 2.83 2.03 -1.26 -2.14 116.55 116.65 1a7a n ASP 292 Ca -0.07 1.18 -0.16 0.00 0.52 0.00 0.00 54.79 56.26 1a7a n ASP 292 Cb 0.58 -1.30 -0.03 0.00 -0.72 0.00 0.00 41.12 39.65 1a7a n ASP 292 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a7a n ASP 293 N 1.25 -4.47 -4.78 1.67 8.00 0.55 -4.90 116.55 113.88 1a7a n ASP 293 Ca 0.10 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.39 1a7a n ASP 293 Cb 0.32 -3.86 -0.00 0.00 -0.02 0.00 0.00 41.12 37.56 1a7a n ASP 293 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a7a s ALA 294 N -2.62 3.59 -0.28 2.24 0.00 -0.91 -4.58 121.76 119.20 1a7a s ALA 294 Ca 0.00 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 1a7a s ALA 294 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1a7a s ALA 294 CO 0.00 -1.08 0.19 0.42 0.00 0.00 0.00 175.76 175.29 1a7a s ILE 295 N -1.05 5.29 -0.14 0.00 1.01 0.48 -1.86 121.20 124.93 1a7a s ILE 295 Ca 0.54 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.30 1a7a s ILE 295 Cb -0.47 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1a7a s ILE 295 CO 0.63 0.24 -0.04 -0.69 0.00 0.00 0.00 174.94 175.07 1a7a s VAL 296 N 1.75 3.85 0.17 2.92 1.01 -0.09 0.69 120.40 130.70 1a7a s VAL 296 Ca 0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1a7a s VAL 296 Cb -0.16 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1a7a s VAL 296 CO 0.11 0.51 0.46 0.00 0.00 0.00 0.00 175.10 176.18 1a7a s ASN 298 N -2.85 2.36 0.00 0.00 2.47 -1.26 -2.50 114.94 113.16 1a7a s ASN 298 Ca 0.07 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 52.52 1a7a s ASN 298 Cb 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 1a7a s ASN 298 CO -0.06 -0.08 0.43 0.00 -3.72 0.00 0.00 177.10 173.66 1a7a n ILE 299 N 0.43 0.14 -1.39 -5.21 3.06 -0.65 -0.40 119.36 115.34 1a7a n ILE 299 Ca -0.14 -0.18 -0.31 0.00 -2.50 0.00 0.00 62.75 59.62 1a7a n ILE 299 Cb 0.57 1.22 0.09 0.00 0.54 0.00 0.00 39.64 42.05 1a7a n ILE 299 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1a7a s GLY 300 N -0.14 1.66 0.09 4.50 0.00 -1.20 -4.82 107.32 107.40 1a7a s GLY 300 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.50 1a7a s GLY 300 CO 0.00 0.46 1.63 0.84 0.00 0.00 0.00 173.10 176.03 1a7a h HIS 301 N -1.06 -0.80 -3.28 1.90 2.76 -1.96 -3.35 115.15 109.36 1a7a h HIS 301 Ca -0.45 -0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.15 1a7a h HIS 301 Cb 1.24 0.29 -0.04 0.00 1.55 0.00 0.00 27.41 30.45 1a7a h HIS 301 CO 0.55 -0.45 -0.14 -0.06 -1.30 0.00 0.00 177.93 176.53 1a7a s PHE 302 N -6.05 3.57 -1.32 5.26 0.08 -1.26 -4.58 117.98 113.68 1a7a s PHE 302 Ca -0.17 0.94 -0.14 0.00 0.12 0.00 0.00 56.93 57.68 1a7a s PHE 302 Cb 0.05 -2.28 0.10 0.00 -0.57 0.00 0.00 43.02 40.32 1a7a s PHE 302 CO 0.63 0.43 1.84 -0.40 -0.10 0.00 0.00 175.22 177.62 1a7a n ASP 303 N 0.67 4.74 0.00 1.36 5.68 -1.26 -4.39 116.55 123.34 1a7a n ASP 303 Ca -0.05 -2.95 0.00 0.00 -0.50 0.00 0.00 54.79 51.29 1a7a n ASP 303 Cb 0.52 -1.63 0.00 0.00 -1.14 0.00 0.00 41.12 38.87 1a7a n ASP 303 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1a7a n VAL 304 N 5.03 0.02 0.08 2.12 0.24 -1.26 -4.83 118.33 119.73 1a7a n VAL 304 Ca 0.45 -0.15 0.03 0.00 -2.04 0.00 0.00 64.34 62.64 1a7a n VAL 304 Cb 0.41 1.67 -0.03 0.00 -1.47 0.00 0.00 33.84 34.42 1a7a n VAL 304 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1a7a h GLU 305 N 0.00 0.00 -5.03 7.34 5.08 -1.77 -3.16 114.58 117.04 1a7a h GLU 305 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1a7a h GLU 305 Cb 0.39 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.35 1a7a h GLU 305 CO 0.00 0.28 -0.75 0.42 -1.00 0.00 0.00 179.01 177.96 1a7a s ILE 306 N -3.02 3.13 -1.02 3.13 1.01 -1.26 -1.09 121.20 122.08 1a7a s ILE 306 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 1a7a s ILE 306 Cb 0.08 -2.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.06 1a7a s ILE 306 CO 0.79 0.45 1.97 -0.67 0.00 0.00 0.00 174.94 177.48 1a7a n ASP 307 N 4.66 3.06 -0.16 3.58 2.03 -0.79 -4.71 116.55 124.23 1a7a n ASP 307 Ca -0.19 -2.73 -0.03 0.00 0.52 0.00 0.00 54.79 52.36 1a7a n ASP 307 Cb 0.51 -1.37 0.06 0.00 -0.72 0.00 0.00 41.12 39.60 1a7a n ASP 307 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1a7a h VAL 308 N 4.73 0.75 -1.06 5.18 2.07 -1.92 -1.97 116.25 124.03 1a7a h VAL 308 Ca 0.42 -0.09 0.29 0.00 0.82 0.00 0.00 66.70 68.14 1a7a h VAL 308 Cb 0.72 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 1a7a h VAL 308 CO 1.79 0.05 0.66 0.11 0.02 0.00 0.00 177.57 180.20 1a7a h LYS 309 N 0.26 0.38 -0.17 1.57 1.57 -1.98 0.74 116.57 118.95 1a7a h LYS 309 Ca 0.24 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1a7a h LYS 309 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1a7a h LYS 309 CO -0.30 0.25 0.04 2.35 -0.57 0.00 0.00 179.45 181.23 1a7a h TRP 310 N 0.39 0.23 -0.06 -1.35 7.01 -1.75 0.16 115.95 120.58 1a7a h TRP 310 Ca 0.65 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.59 1a7a h TRP 310 Cb 1.59 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.58 1a7a h TRP 310 CO -0.00 0.21 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.59 1a7a h LEU 311 N 0.23 0.27 -1.26 0.65 3.38 0.42 -0.43 115.31 118.57 1a7a h LEU 311 Ca 0.06 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1a7a h LEU 311 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1a7a h LEU 311 CO -0.00 0.83 0.41 0.78 0.09 0.00 0.00 178.44 180.55 1a7a h ASN 312 N -0.28 0.80 0.49 -0.43 2.35 -0.92 -1.32 115.58 116.27 1a7a h ASN 312 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1a7a h ASN 312 Cb 0.81 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1a7a h ASN 312 CO 0.04 0.62 -0.16 -0.62 -1.65 0.00 0.00 177.43 175.65 1a7a n GLU 313 N -4.40 0.46 0.00 0.81 1.02 0.51 -4.25 120.64 114.78 1a7a n GLU 313 Ca 0.07 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1a7a n GLU 313 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1a7a n GLU 313 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a7a n ASN 314 N -1.13 0.32 -4.78 1.62 3.02 -0.18 -5.04 115.26 109.10 1a7a n ASN 314 Ca 0.11 -1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 53.21 1a7a n ASN 314 Cb 0.30 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 1a7a n ASN 314 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a7a s ALA 315 N -0.06 3.48 -0.12 5.41 0.00 -0.52 -4.32 121.76 125.64 1a7a s ALA 315 Ca 0.00 0.19 0.30 0.00 0.00 0.00 0.00 51.96 52.45 1a7a s ALA 315 Cb 0.00 -2.83 1.03 0.00 0.00 0.00 0.00 23.12 21.32 1a7a s ALA 315 CO 0.00 0.26 1.85 0.28 0.00 0.00 0.00 175.76 178.15 1a7a h VAL 316 N 3.68 0.00 -3.54 0.00 2.07 -0.94 -3.46 116.25 114.06 1a7a h VAL 316 Ca -0.47 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1a7a h VAL 316 Cb 1.21 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 32.48 1a7a h VAL 316 CO 0.67 0.00 -0.13 -1.61 0.02 0.00 0.00 177.57 176.52 1a7a s GLU 317 N -3.50 1.24 -0.47 1.57 2.02 -1.12 -4.96 118.70 113.48 1a7a s GLU 317 Ca 0.03 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.12 1a7a s GLU 317 Cb 0.08 0.46 0.18 0.00 0.10 0.00 0.00 34.13 34.95 1a7a s GLU 317 CO 0.57 -0.49 0.56 0.21 0.02 0.00 0.00 175.26 176.13 1a7a s LYS 318 N -3.90 0.99 -0.03 1.61 2.20 -1.26 -2.83 119.74 116.52 1a7a s LYS 318 Ca 0.11 -1.48 -0.23 0.00 -0.36 0.00 0.00 55.97 54.01 1a7a s LYS 318 Cb 0.01 -0.62 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1a7a s LYS 318 CO -0.03 -1.35 0.69 0.14 -0.36 0.00 0.00 175.35 174.44 1a7a s VAL 319 N 0.57 4.96 -0.46 4.02 -7.23 -0.61 -4.88 120.40 116.77 1a7a s VAL 319 Ca 0.31 1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 61.75 1a7a s VAL 319 Cb 0.01 -4.03 0.05 0.00 0.56 0.00 0.00 36.38 32.96 1a7a s VAL 319 CO -0.11 0.31 0.47 0.21 -0.31 0.00 0.00 175.10 175.67 1a7a s ASN 320 N 0.44 6.19 0.13 4.85 3.84 -1.26 0.23 114.94 129.36 1a7a s ASN 320 Ca 0.36 -0.92 -0.15 0.00 0.21 0.00 0.00 52.86 52.36 1a7a s ASN 320 Cb -0.18 -2.23 -0.01 0.00 -0.55 0.00 0.00 41.25 38.28 1a7a s ASN 320 CO 0.19 -0.68 1.61 0.40 -2.79 0.00 0.00 177.10 175.83 1a7a h ILE 321 N 5.77 1.24 -2.18 -5.21 5.03 -1.59 -3.48 117.51 117.09 1a7a h ILE 321 Ca -0.27 -0.89 0.21 0.00 -0.12 0.00 0.00 64.86 63.78 1a7a h ILE 321 Cb 1.11 1.01 -0.08 0.00 -3.03 0.00 0.00 36.82 35.82 1a7a h ILE 321 CO 0.86 0.31 0.57 -1.59 -0.68 0.00 0.00 178.15 177.62 1a7a s LYS 322 N -5.18 1.05 0.14 2.37 -2.85 -1.19 -5.05 119.74 109.03 1a7a s LYS 322 Ca -0.13 -0.59 -0.35 0.00 -1.00 0.00 0.00 55.97 53.90 1a7a s LYS 322 Cb 0.10 0.35 -0.15 0.00 -2.06 0.00 0.00 37.83 36.07 1a7a s LYS 322 CO 0.78 -0.48 1.45 -2.30 0.10 0.00 0.00 175.35 174.90 1a7a n PRO 323 N -0.51 1.69 -1.51 1.78 -0.02 -1.26 -1.08 135.00 134.09 1a7a n PRO 323 Ca -0.06 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1a7a n PRO 323 Cb 0.61 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1a7a n PRO 323 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1a7a n GLN 324 N 2.85 -0.88 -3.55 -0.52 3.00 -1.26 -4.95 117.38 112.07 1a7a n GLN 324 Ca 0.17 0.87 -0.23 0.00 -0.01 0.00 0.00 57.00 57.81 1a7a n GLN 324 Cb 0.25 -4.92 -0.15 0.00 0.00 0.00 0.00 30.24 25.42 1a7a n GLN 324 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1a7a s VAL 325 N -2.48 -0.20 -0.07 5.09 1.01 -0.24 -0.47 120.40 123.04 1a7a s VAL 325 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1a7a s VAL 325 Cb 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1a7a s VAL 325 CO 0.00 -0.27 -0.22 -1.81 0.00 0.00 0.00 175.10 172.80 1a7a s ASP 326 N 2.22 2.75 -0.33 3.32 1.11 -0.76 -1.38 116.67 123.61 1a7a s ASP 326 Ca 0.05 -0.47 -0.07 0.00 0.18 0.00 0.00 52.55 52.24 1a7a s ASP 326 Cb -0.16 -0.94 0.03 0.00 1.07 0.00 0.00 42.92 42.92 1a7a s ASP 326 CO -0.12 0.18 0.11 -0.60 1.18 0.00 0.00 175.17 175.91 1a7a s ARG 327 N 0.10 2.83 0.35 8.23 3.52 0.14 -1.03 118.95 133.09 1a7a s ARG 327 Ca -0.09 -1.04 -0.04 0.00 -0.13 0.00 0.00 55.73 54.44 1a7a s ARG 327 Cb -0.15 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1a7a s ARG 327 CO 0.05 -0.58 0.61 0.71 -0.81 0.00 0.00 175.30 175.28 1a7a s TYR 328 N 1.46 3.50 -0.27 5.12 1.51 0.13 -1.57 117.35 127.23 1a7a s TYR 328 Ca 0.00 0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 1a7a s TYR 328 Cb -0.18 -2.11 0.08 0.00 -0.11 0.00 0.00 41.96 39.64 1a7a s TYR 328 CO 0.03 0.05 0.05 0.50 -1.11 0.00 0.00 175.55 175.07 1a7a s ARG 329 N -4.02 0.96 1.11 -0.62 3.52 -1.13 -0.51 118.95 118.26 1a7a s ARG 329 Ca 0.44 -0.96 -0.16 0.00 -0.13 0.00 0.00 55.73 54.91 1a7a s ARG 329 Cb -0.10 -2.24 0.24 0.00 -1.56 0.00 0.00 34.95 31.29 1a7a s ARG 329 CO 0.35 -0.82 1.11 -0.51 -0.81 0.00 0.00 175.30 174.62 1a7a s LEU 330 N 1.57 1.14 0.44 -0.88 1.43 -0.34 -0.35 118.68 121.68 1a7a s LEU 330 Ca 0.04 0.82 0.13 0.00 -1.03 0.00 0.00 54.13 54.08 1a7a s LEU 330 Cb -0.18 -2.74 0.96 0.00 0.03 0.00 0.00 46.19 44.27 1a7a s LEU 330 CO -0.16 -3.66 1.99 0.11 0.23 0.00 0.00 176.35 174.86 1a7a h LYS 331 N -2.26 0.10 0.00 1.70 1.57 -1.88 -1.32 116.57 114.47 1a7a h LYS 331 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1a7a h LYS 331 Cb 1.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1a7a h LYS 331 CO 0.44 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 1a7a n ASN 332 N -4.34 0.00 0.00 0.86 0.23 -1.26 -4.86 115.26 105.89 1a7a n ASN 332 Ca -0.02 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1a7a n ASN 332 Cb 0.22 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1a7a n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a7a n GLY 333 N -0.01 3.03 3.79 4.83 0.00 -0.50 -5.05 105.19 111.29 1a7a n GLY 333 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1a7a n GLY 333 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a7a s ARG 334 N -0.15 2.64 0.29 1.61 0.52 -1.26 -4.71 118.95 117.89 1a7a s ARG 334 Ca 0.00 1.08 0.08 0.00 -0.52 0.00 0.00 55.73 56.38 1a7a s ARG 334 Cb 0.00 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1a7a s ARG 334 CO 0.00 -1.34 0.11 1.03 0.02 0.00 0.00 175.30 175.11 1a7a s ARG 335 N -4.90 2.47 -0.05 3.54 0.52 -1.26 -1.20 118.95 118.07 1a7a s ARG 335 Ca 0.60 -1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1a7a s ARG 335 Cb -0.16 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.08 1a7a s ARG 335 CO 0.54 0.26 0.11 0.42 0.02 0.00 0.00 175.30 176.66 1a7a s ILE 336 N -2.32 -0.06 -0.34 1.52 1.01 0.33 -0.33 121.20 121.02 1a7a s ILE 336 Ca 0.35 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 1a7a s ILE 336 Cb -0.05 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1a7a s ILE 336 CO 0.22 0.08 0.23 -0.63 0.00 0.00 0.00 174.94 174.84 1a7a s ILE 337 N 1.18 5.19 -0.14 2.92 1.01 -0.78 0.23 121.20 130.81 1a7a s ILE 337 Ca -0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1a7a s ILE 337 Cb -0.12 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1a7a s ILE 337 CO -0.05 -0.01 0.02 -0.22 0.00 0.00 0.00 174.94 174.67 1a7a s LEU 338 N 1.70 3.59 -0.06 2.97 1.98 -0.20 -0.91 118.68 127.75 1a7a s LEU 338 Ca 0.06 0.05 -0.00 0.00 -2.89 0.00 0.00 54.13 51.35 1a7a s LEU 338 Cb -0.17 -1.87 -0.03 0.00 0.66 0.00 0.00 46.19 44.78 1a7a s LEU 338 CO 0.10 0.25 -0.03 -0.76 -1.89 0.00 0.00 176.35 174.01 1a7a s LEU 339 N -0.08 3.38 -0.56 -0.68 1.43 -1.03 -1.83 118.68 119.30 1a7a s LEU 339 Ca 0.04 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1a7a s LEU 339 Cb -0.13 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1a7a s LEU 339 CO 0.02 0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.95 1a7a n ALA 340 N 2.06 -0.69 -3.27 4.21 0.00 0.38 -1.51 120.51 121.69 1a7a n ALA 340 Ca -0.18 0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1a7a n ALA 340 Cb 0.53 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.04 1a7a n ALA 340 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a7a n GLU 341 N -2.35 -4.02 -0.16 0.00 1.02 -1.26 -0.85 120.64 113.02 1a7a n GLU 341 Ca -0.07 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1a7a n GLU 341 Cb 0.47 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 1a7a n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a7a n GLY 342 N -1.32 1.38 3.79 0.62 0.00 -0.57 -4.94 105.19 104.15 1a7a n GLY 342 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1a7a n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a7a s ARG 343 N -0.46 4.48 -0.41 1.61 0.52 -0.03 -4.41 118.95 120.25 1a7a s ARG 343 Ca 0.00 1.09 -0.20 0.00 -0.52 0.00 0.00 55.73 56.10 1a7a s ARG 343 Cb 0.00 -3.10 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 1a7a s ARG 343 CO 0.00 0.49 1.30 1.47 0.02 0.00 0.00 175.30 178.58 1a7a n LEU 344 N 1.23 0.27 -0.36 2.53 -0.00 -1.25 -4.65 117.00 114.77 1a7a n LEU 344 Ca -0.04 0.22 0.01 0.00 -0.00 0.00 0.00 56.01 56.21 1a7a n LEU 344 Cb 0.49 -0.49 0.16 0.00 -0.00 0.00 0.00 43.42 43.59 1a7a n LEU 344 CO 0.45 -0.40 1.26 1.62 -0.00 0.00 0.00 177.39 180.32 1a7a h VAL 345 N 4.02 1.11 -0.76 1.47 3.04 -1.06 -1.07 116.25 123.00 1a7a h VAL 345 Ca -0.04 -0.40 0.08 0.00 -1.01 0.00 0.00 66.70 65.33 1a7a h VAL 345 Cb 0.73 -0.17 -0.07 0.00 -2.01 0.00 0.00 31.29 29.77 1a7a h VAL 345 CO 0.67 0.21 0.42 -0.55 -1.01 0.00 0.00 177.57 177.31 1a7a h ASN 346 N 1.18 0.60 0.19 3.17 -0.00 -1.83 0.38 115.58 119.26 1a7a h ASN 346 Ca 0.41 0.04 -0.32 0.00 -0.00 0.00 0.00 56.30 56.43 1a7a h ASN 346 Cb 0.11 -0.07 0.02 0.00 -0.00 0.00 0.00 38.32 38.37 1a7a h ASN 346 CO -0.16 0.36 -1.56 -0.07 -0.00 0.00 0.00 177.43 176.01 1a7a h LEU 347 N 0.73 0.62 -0.56 6.14 3.38 -1.83 -1.09 115.31 122.70 1a7a h LEU 347 Ca 0.36 -0.92 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 1a7a h LEU 347 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1a7a h LEU 347 CO -0.23 1.71 0.09 1.23 0.09 0.00 0.00 178.44 181.33 1a7a h GLY 348 N 0.35 0.99 -1.30 0.83 0.00 -0.99 -3.29 103.07 99.66 1a7a h GLY 348 Ca -0.30 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1a7a h GLY 348 CO 0.18 0.62 0.00 0.00 0.00 0.00 0.00 176.54 177.33 1a7a n ALA 350 N 0.86 0.62 -3.00 0.00 0.00 -0.83 -4.45 120.51 113.71 1a7a n ALA 350 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1a7a n ALA 350 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1a7a n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a7a n GLY 352 N 0.00 5.59 3.79 0.00 0.00 -0.47 -4.75 105.19 109.35 1a7a n GLY 352 Ca 0.00 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1a7a n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a7a s HIS 353 N 0.90 2.83 0.70 1.61 3.76 -1.26 -4.59 115.29 119.23 1a7a s HIS 353 Ca 0.00 1.54 -0.15 0.00 -0.15 0.00 0.00 55.06 56.30 1a7a s HIS 353 Cb 0.00 -3.13 0.02 0.00 1.11 0.00 0.00 32.58 30.58 1a7a s HIS 353 CO 0.00 -1.29 1.17 -2.14 -0.85 0.00 0.00 174.74 171.62 1a7a s PRO 354 N -3.69 2.43 0.19 8.40 0.02 -1.26 -4.93 135.00 136.16 1a7a s PRO 354 Ca 0.67 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 1a7a s PRO 354 Cb -0.19 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.63 1a7a s PRO 354 CO 0.31 -1.58 1.66 0.77 -0.33 0.00 0.00 177.00 177.84 1a7a h SER 355 N -0.12 -0.38 0.22 2.53 0.02 -1.93 -3.22 113.55 110.66 1a7a h SER 355 Ca -0.47 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1a7a h SER 355 Cb 1.27 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.06 1a7a h SER 355 CO 0.52 -0.14 -0.44 0.15 -1.14 0.00 0.00 176.83 175.78 1a7a h PHE 356 N 0.04 -1.26 0.00 3.45 3.57 -1.90 -2.52 116.94 118.32 1a7a h PHE 356 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1a7a h PHE 356 Cb 0.39 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1a7a h PHE 356 CO -0.39 -0.53 0.10 1.55 -2.23 0.00 0.00 178.31 176.82 1a7a n VAL 357 N -5.01 0.00 0.00 1.41 3.14 -1.22 -3.69 118.33 112.97 1a7a n VAL 357 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1a7a n VAL 357 Cb 0.36 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1a7a n VAL 357 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1a7a n SER 359 N 2.16 0.00 0.33 6.55 2.88 -0.95 -3.23 113.62 121.36 1a7a n SER 359 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1a7a n SER 359 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1a7a n SER 359 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1a7a h ASN 360 N 0.00 -0.73 -0.40 -3.46 4.21 -1.88 0.75 115.58 114.07 1a7a h ASN 360 Ca 0.00 0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.58 1a7a h ASN 360 Cb 0.00 0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.32 1a7a h ASN 360 CO 0.00 -0.47 -0.44 0.28 -1.29 0.00 0.00 177.43 175.50 1a7a h SER 361 N -0.95 -1.50 -0.34 5.81 0.02 -1.74 -1.58 113.55 113.27 1a7a h SER 361 Ca -0.09 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1a7a h SER 361 Cb 0.66 0.62 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1a7a h SER 361 CO 0.14 -0.29 0.23 -0.26 -1.14 0.00 0.00 176.83 175.51 1a7a h PHE 362 N -0.26 0.26 -0.67 3.45 0.04 -1.87 -1.51 116.94 116.38 1a7a h PHE 362 Ca 0.07 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1a7a h PHE 362 Cb 0.44 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1a7a h PHE 362 CO -0.75 0.14 0.30 1.15 -0.60 0.00 0.00 178.31 178.55 1a7a h THR 363 N 0.26 1.23 -0.82 -1.55 2.02 0.14 0.14 112.91 114.34 1a7a h THR 363 Ca 0.14 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1a7a h THR 363 Cb 0.25 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1a7a h THR 363 CO -0.03 0.28 0.48 0.78 0.37 0.00 0.00 175.52 177.40 1a7a h ASN 364 N 0.94 1.00 -0.39 4.18 2.35 -0.82 -2.70 115.58 120.14 1a7a h ASN 364 Ca 0.23 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1a7a h ASN 364 Cb 0.15 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1a7a h ASN 364 CO -0.02 0.79 0.23 -0.61 -1.65 0.00 0.00 177.43 176.16 1a7a h GLN 365 N 1.13 0.45 -1.23 0.81 5.75 -0.30 0.14 115.11 121.85 1a7a h GLN 365 Ca 0.29 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1a7a h GLN 365 Cb -0.02 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1a7a h GLN 365 CO -0.05 0.30 0.00 0.28 -2.65 0.00 0.00 178.83 176.71 1a7a n VAL 366 N -4.87 0.17 0.00 2.39 0.31 0.39 -1.70 118.33 115.01 1a7a n VAL 366 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1a7a n VAL 366 Cb 0.06 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1a7a n VAL 366 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a7a n ALA 368 N 0.70 0.00 -0.12 3.52 0.00 0.48 -1.00 120.51 124.10 1a7a n ALA 368 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1a7a n ALA 368 Cb 0.11 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 1a7a n ALA 368 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a7a h GLN 369 N 0.00 0.13 -0.81 0.00 1.08 -1.58 -0.88 115.11 113.05 1a7a h GLN 369 Ca 0.00 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1a7a h GLN 369 Cb 0.00 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1a7a h GLN 369 CO 0.00 0.09 0.51 0.82 -0.95 0.00 0.00 178.83 179.30 1a7a h ILE 370 N 0.13 1.12 0.78 2.54 2.04 -1.35 -1.15 117.51 121.62 1a7a h ILE 370 Ca 0.19 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1a7a h ILE 370 Cb 0.26 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1a7a h ILE 370 CO -0.30 0.18 -0.44 -0.33 0.00 0.00 0.00 178.15 177.27 1a7a h GLU 371 N 1.00 -1.08 -0.87 2.37 4.39 -1.55 0.92 114.58 119.75 1a7a h GLU 371 Ca 0.33 0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.18 1a7a h GLU 371 Cb 0.02 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 1a7a h GLU 371 CO -0.12 -0.72 0.53 -0.07 -1.16 0.00 0.00 179.01 177.47 1a7a h LEU 372 N -1.13 0.81 -0.14 1.33 -0.00 -1.11 0.34 115.31 115.41 1a7a h LEU 372 Ca -0.10 0.03 -0.23 0.00 -0.00 0.00 0.00 57.88 57.57 1a7a h LEU 372 Cb 0.89 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1a7a h LEU 372 CO 0.13 0.49 -0.97 -0.25 -0.00 0.00 0.00 178.44 177.84 1a7a h TRP 373 N 0.93 0.62 0.00 1.13 2.91 -1.14 -3.16 115.95 117.24 1a7a h TRP 373 Ca 0.40 -0.35 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 1a7a h TRP 373 Cb 0.27 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 1a7a h TRP 373 CO -0.04 1.18 -1.47 2.41 -1.03 0.00 0.00 178.44 179.49 1a7a n THR 374 N -3.74 0.56 -3.13 2.65 -1.04 0.31 -4.55 114.28 105.35 1a7a n THR 374 Ca -0.07 -0.58 -0.22 0.00 -2.04 0.00 0.00 64.05 61.15 1a7a n THR 374 Cb 0.85 -0.31 -0.04 0.00 -1.82 0.00 0.00 70.33 69.02 1a7a n THR 374 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1a7a n HIS 375 N -2.58 1.36 -0.08 -1.42 8.25 0.10 -4.94 115.22 115.91 1a7a n HIS 375 Ca -0.05 -3.86 -0.07 0.00 -0.26 0.00 0.00 57.72 53.48 1a7a n HIS 375 Cb 0.64 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1a7a n HIS 375 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1a7a h PRO 376 N 3.16 0.18 0.00 -0.41 0.11 -1.70 -1.71 132.00 131.63 1a7a h PRO 376 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1a7a h PRO 376 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1a7a h PRO 376 CO 0.60 0.12 0.01 -0.25 -0.21 0.00 0.00 178.00 178.27 1a7a n ASP 377 N -5.07 0.00 -0.52 -2.05 9.92 -1.26 -0.38 116.55 117.18 1a7a n ASP 377 Ca -0.00 0.11 0.09 0.00 -0.53 0.00 0.00 54.79 54.46 1a7a n ASP 377 Cb 0.13 -0.11 0.02 0.00 -0.64 0.00 0.00 41.12 40.51 1a7a n ASP 377 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1a7a n LYS 378 N -1.07 1.58 -3.67 -1.24 4.81 -0.64 -4.82 118.16 113.10 1a7a n LYS 378 Ca 0.00 -1.11 -0.30 0.00 -0.87 0.00 0.00 58.31 56.03 1a7a n LYS 378 Cb 0.01 -1.35 -0.14 0.00 0.02 0.00 0.00 35.03 33.57 1a7a n LYS 378 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1a7a s TYR 379 N -1.96 1.48 1.04 5.64 1.51 0.49 -5.12 117.35 120.43 1a7a s TYR 379 Ca 0.17 -1.76 -0.12 0.00 -1.01 0.00 0.00 57.07 54.35 1a7a s TYR 379 Cb 0.15 -1.56 0.21 0.00 -0.11 0.00 0.00 41.96 40.65 1a7a s TYR 379 CO 0.40 -0.85 1.07 -2.14 -1.11 0.00 0.00 175.55 172.92 1a7a s PRO 380 N 1.35 0.09 0.17 -1.71 0.02 -1.26 -4.67 135.00 128.99 1a7a s PRO 380 Ca 0.12 0.81 -0.32 0.00 0.02 0.00 0.00 61.00 61.64 1a7a s PRO 380 Cb -0.19 -1.67 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 1a7a s PRO 380 CO -0.18 -3.04 1.77 0.08 -0.33 0.00 0.00 177.00 175.30 1a7a s VAL 381 N -2.72 2.25 -5.00 3.83 1.01 -1.26 -4.47 120.40 114.04 1a7a s VAL 381 Ca 0.66 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1a7a s VAL 381 Cb -0.21 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1a7a s VAL 381 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1a7a n GLY 382 N 4.10 -0.56 3.38 4.51 0.00 -1.26 -4.92 105.19 110.44 1a7a n GLY 382 Ca 0.17 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1a7a n GLY 382 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a7a s VAL 383 N -1.57 3.40 0.43 1.61 0.11 -1.25 -0.67 120.40 122.46 1a7a s VAL 383 Ca 0.00 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1a7a s VAL 383 Cb 0.00 -2.49 -0.05 0.00 -1.53 0.00 0.00 36.38 32.31 1a7a s VAL 383 CO 0.00 0.48 0.02 -1.00 -3.33 0.00 0.00 175.10 171.27 1a7a s HIS 384 N 0.75 2.22 0.17 1.54 4.02 -0.17 -4.89 115.29 118.92 1a7a s HIS 384 Ca -0.03 -0.83 0.08 0.00 1.02 0.00 0.00 55.06 55.31 1a7a s HIS 384 Cb -0.15 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.58 29.73 1a7a s HIS 384 CO 0.02 0.29 -0.07 -0.06 1.02 0.00 0.00 174.74 175.94 1a7a s PHE 385 N -2.86 2.70 0.81 1.40 0.08 -1.26 0.71 117.98 119.56 1a7a s PHE 385 Ca 0.26 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 1a7a s PHE 385 Cb 0.07 -1.33 0.08 0.00 -0.57 0.00 0.00 43.02 41.27 1a7a s PHE 385 CO 0.13 0.50 1.10 -0.51 -0.10 0.00 0.00 175.22 176.34 1a7a s LEU 386 N -2.78 2.90 0.33 -0.37 1.02 -1.26 -4.95 118.68 113.57 1a7a s LEU 386 Ca 0.25 1.83 -0.28 0.00 0.02 0.00 0.00 54.13 55.94 1a7a s LEU 386 Cb -0.09 -4.45 -0.10 0.00 0.02 0.00 0.00 46.19 41.57 1a7a s LEU 386 CO 0.16 -2.25 1.25 -2.84 0.02 0.00 0.00 176.35 172.69 1a7a s PRO 387 N -4.87 4.35 0.35 1.29 0.02 -1.26 -4.87 135.00 130.00 1a7a s PRO 387 Ca 0.62 2.08 0.09 0.00 0.02 0.00 0.00 61.00 63.81 1a7a s PRO 387 Cb -0.18 -3.02 0.81 0.00 0.02 0.00 0.00 34.50 32.12 1a7a s PRO 387 CO 0.56 -0.14 1.85 -0.22 -0.33 0.00 0.00 177.00 178.72 1a7a h LYS 388 N 3.32 0.69 -0.28 5.54 3.64 -1.98 0.38 116.57 127.88 1a7a h LYS 388 Ca -0.48 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1a7a h LYS 388 Cb 1.23 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1a7a h LYS 388 CO 0.65 0.45 0.04 -0.22 -2.27 0.00 0.00 179.45 178.11 1a7a h LYS 389 N 0.71 0.41 -0.16 1.90 3.64 -1.97 0.98 116.57 122.08 1a7a h LYS 389 Ca 0.48 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.60 1a7a h LYS 389 Cb 0.77 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1a7a h LYS 389 CO -0.23 0.40 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.61 1a7a h LEU 390 N 0.40 0.71 -0.51 5.20 3.38 -1.34 -2.34 115.31 120.82 1a7a h LEU 390 Ca 0.09 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1a7a h LEU 390 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1a7a h LEU 390 CO -0.00 1.19 0.31 -0.78 0.09 0.00 0.00 178.44 179.25 1a7a h ASP 391 N 0.44 0.61 -0.84 -0.43 1.82 -0.15 -1.07 116.42 116.81 1a7a h ASP 391 Ca -0.02 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1a7a h ASP 391 Cb 1.26 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 41.08 1a7a h ASP 391 CO 0.13 0.48 0.39 -0.33 -1.61 0.00 0.00 179.24 178.30 1a7a h GLU 392 N 0.68 1.23 -0.20 0.28 5.08 -0.83 -2.48 114.58 118.33 1a7a h GLU 392 Ca 0.18 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1a7a h GLU 392 Cb -0.01 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 1a7a h GLU 392 CO -0.03 0.95 -0.14 0.00 -1.00 0.00 0.00 179.01 178.79 1a7a h ALA 393 N 1.21 0.01 -0.58 3.43 0.00 -0.71 0.11 119.26 122.73 1a7a h ALA 393 Ca 0.29 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1a7a h ALA 393 Cb 0.15 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1a7a h ALA 393 CO -0.03 -0.57 -0.37 0.28 0.00 0.00 0.00 179.25 178.56 1a7a h VAL 394 N -0.14 0.14 -0.60 0.00 2.07 -0.77 0.12 116.25 117.07 1a7a h VAL 394 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1a7a h VAL 394 Cb 0.32 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1a7a h VAL 394 CO -0.29 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.69 1a7a h ALA 395 N 0.85 0.76 -0.88 1.67 0.00 -1.25 -2.45 119.26 117.97 1a7a h ALA 395 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1a7a h ALA 395 Cb 0.56 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1a7a h ALA 395 CO -0.68 0.20 0.55 1.49 0.00 0.00 0.00 179.25 180.82 1a7a h GLU 396 N 0.81 0.98 -0.08 0.00 4.81 0.13 -1.80 114.58 119.43 1a7a h GLU 396 Ca 0.22 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1a7a h GLU 396 Cb -0.07 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.08 1a7a h GLU 396 CO -0.05 0.65 0.28 0.00 -0.73 0.00 0.00 179.01 179.16 1a7a h ALA 397 N 1.41 1.45 -0.41 2.92 0.00 -0.36 -1.34 119.26 122.93 1a7a h ALA 397 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1a7a h ALA 397 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a7a h ALA 397 CO -0.17 -0.32 0.00 0.72 0.00 0.00 0.00 179.25 179.48 1a7a n HIS 398 N -3.14 0.54 -0.01 0.00 8.25 -0.68 -4.52 115.22 115.66 1a7a n HIS 398 Ca -0.00 -0.37 -0.17 0.00 -0.26 0.00 0.00 57.72 56.91 1a7a n HIS 398 Cb 0.36 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 1a7a n HIS 398 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a7a h LEU 399 N 3.23 0.59 -0.46 2.41 4.07 -1.26 -3.25 115.31 120.64 1a7a h LEU 399 Ca 0.00 -0.70 0.08 0.00 0.08 0.00 0.00 57.88 57.33 1a7a h LEU 399 Cb 0.83 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.33 1a7a h LEU 399 CO 0.00 1.21 0.09 1.23 -1.08 0.00 0.00 178.44 179.89 1a7a h GLY 400 N 0.03 0.55 1.15 0.83 0.00 -1.79 0.17 103.07 104.00 1a7a h GLY 400 Ca -0.06 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.35 1a7a h GLY 400 CO 0.12 -0.06 0.34 1.70 0.00 0.00 0.00 176.54 178.64 1a7a h LYS 401 N 0.22 0.24 -0.38 4.80 1.63 -1.85 0.21 116.57 121.44 1a7a h LYS 401 Ca 0.23 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1a7a h LYS 401 Cb 0.29 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1a7a h LYS 401 CO -0.30 0.16 0.00 1.28 -3.45 0.00 0.00 179.45 177.14 1a7a n LEU 402 N -4.45 3.27 -3.80 5.20 4.77 -0.65 -4.95 117.00 116.38 1a7a n LEU 402 Ca 0.08 -1.42 -0.28 0.00 -0.03 0.00 0.00 56.01 54.36 1a7a n LEU 402 Cb 0.39 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1a7a n LEU 402 CO 0.35 0.71 0.16 -3.20 -1.33 0.00 0.00 177.39 174.08 1a7a n ASN 403 N 1.36 -5.40 -4.71 -1.43 2.85 0.75 -4.95 115.26 103.73 1a7a n ASN 403 Ca 0.19 -0.69 -0.40 0.00 -0.11 0.00 0.00 54.58 53.57 1a7a n ASN 403 Cb 0.57 -4.31 -0.05 0.00 1.24 0.00 0.00 39.78 37.24 1a7a n ASN 403 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1a7a s VAL 404 N -3.31 5.03 -0.44 3.44 1.01 -0.46 -5.00 120.40 120.66 1a7a s VAL 404 Ca 0.64 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.93 1a7a s VAL 404 Cb -0.31 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1a7a s VAL 404 CO 0.79 0.22 0.37 -0.54 0.00 0.00 0.00 175.10 175.95 1a7a s LYS 405 N 0.97 2.99 0.43 2.72 1.02 -1.26 -4.60 119.74 122.01 1a7a s LYS 405 Ca 0.38 -1.14 -0.21 0.00 0.02 0.00 0.00 55.97 55.01 1a7a s LYS 405 Cb -0.18 -4.05 -0.11 0.00 -0.52 0.00 0.00 37.83 32.97 1a7a s LYS 405 CO 0.18 -0.91 0.95 -1.17 -0.92 0.00 0.00 175.35 173.48 1a7a s LEU 406 N 1.75 3.95 -0.04 3.17 2.96 -1.26 -5.05 118.68 124.16 1a7a s LEU 406 Ca 0.06 1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 55.51 1a7a s LEU 406 Cb -0.21 -4.52 -0.05 0.00 0.50 0.00 0.00 46.19 41.90 1a7a s LEU 406 CO 0.09 -0.37 0.45 -0.89 -1.32 0.00 0.00 176.35 174.31 1a7a s THR 407 N -2.15 5.06 -0.39 3.68 2.01 -1.26 -5.05 115.64 117.55 1a7a s THR 407 Ca 0.62 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 63.37 1a7a s THR 407 Cb -0.10 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1a7a s THR 407 CO 0.14 0.48 0.39 -0.54 -0.69 0.00 0.00 174.62 174.39 1a7a s LYS 408 N -0.40 3.29 -0.02 4.92 -0.14 -1.26 -5.02 119.74 121.10 1a7a s LYS 408 Ca 0.25 -0.64 -0.36 0.00 -1.36 0.00 0.00 55.97 53.85 1a7a s LYS 408 Cb -0.16 -3.90 -0.15 0.00 -1.68 0.00 0.00 37.83 31.94 1a7a s LYS 408 CO 0.12 -0.70 1.62 -0.11 -0.76 0.00 0.00 175.35 175.53 1a7a n LEU 409 N 5.46 2.59 -4.79 3.17 7.94 -1.26 -4.92 117.00 125.18 1a7a n LEU 409 Ca -0.09 1.07 -0.31 0.00 -1.11 0.00 0.00 56.01 55.57 1a7a n LEU 409 Cb 0.48 -1.28 0.08 0.00 0.53 0.00 0.00 43.42 43.23 1a7a n LEU 409 CO 0.43 -0.49 0.70 0.42 -1.11 0.00 0.00 177.39 177.35 1a7a s THR 410 N 2.15 3.57 0.15 1.96 -4.23 -1.26 -4.72 115.64 113.26 1a7a s THR 410 Ca 0.88 0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 61.72 1a7a s THR 410 Cb -0.86 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 69.92 1a7a s THR 410 CO 0.50 -0.66 1.68 -0.08 -0.54 0.00 0.00 174.62 175.52 1a7a h GLU 411 N -0.99 -0.00 -0.59 3.99 4.22 -1.99 0.36 114.58 119.59 1a7a h GLU 411 Ca -0.44 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.08 1a7a h GLU 411 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1a7a h GLU 411 CO 0.54 -0.00 0.25 -0.22 -2.18 0.00 0.00 179.01 177.40 1a7a h LYS 412 N -0.00 0.46 -0.13 1.92 3.11 -2.01 -2.51 116.57 117.40 1a7a h LYS 412 Ca 0.15 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.90 1a7a h LYS 412 Cb 0.23 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1a7a h LYS 412 CO -0.32 0.30 -0.14 1.96 -2.81 0.00 0.00 179.45 178.44 1a7a h GLN 413 N 0.47 0.33 -0.95 1.90 4.20 -1.64 -2.83 115.11 116.59 1a7a h GLN 413 Ca 0.28 -0.18 0.20 0.00 0.06 0.00 0.00 58.65 59.01 1a7a h GLN 413 Cb 0.29 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 1a7a h GLN 413 CO -0.25 0.73 0.61 0.00 -0.67 0.00 0.00 178.83 179.25 1a7a h ALA 414 N 0.59 1.99 -0.07 3.87 0.00 -0.08 0.27 119.26 125.83 1a7a h ALA 414 Ca 0.02 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1a7a h ALA 414 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a7a h ALA 414 CO 0.03 -0.31 -0.25 1.96 0.00 0.00 0.00 179.25 180.68 1a7a h GLN 415 N 0.56 0.29 -0.43 0.00 4.20 -1.44 0.11 115.11 118.41 1a7a h GLN 415 Ca 0.51 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 59.09 1a7a h GLN 415 Cb 1.06 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.80 1a7a h GLN 415 CO -0.26 0.85 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.77 1a7a h TYR 416 N -0.20 -0.16 0.00 2.96 3.20 -0.97 0.18 116.97 121.97 1a7a h TYR 416 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1a7a h TYR 416 Cb 0.89 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1a7a h TYR 416 CO 0.13 -0.16 0.00 -0.07 -1.64 0.00 0.00 178.16 176.42 1a7a h LEU 417 N 0.03 0.00 -2.52 2.82 3.38 -0.97 -3.52 115.31 114.53 1a7a h LEU 417 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1a7a h LEU 417 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1a7a h LEU 417 CO -0.41 0.00 -0.13 0.61 0.09 0.00 0.00 178.44 178.60 1a7a n GLY 418 N 0.36 -1.03 3.79 0.83 0.00 0.63 -5.07 105.19 104.69 1a7a n GLY 418 Ca 0.03 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 1a7a n GLY 418 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a7a s SER 420 N -2.52 6.57 0.00 1.61 0.15 -1.26 -5.02 113.70 113.22 1a7a s SER 420 Ca 0.06 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.46 1a7a s SER 420 Cb -0.02 -2.19 0.44 0.00 -1.71 0.00 0.00 66.02 62.54 1a7a s SER 420 CO 0.54 0.22 0.91 0.00 1.20 0.00 0.00 173.24 176.12 1a7a n ASP 422 N -1.02 0.67 -3.37 0.00 9.92 -1.26 -4.65 116.55 116.84 1a7a n ASP 422 Ca 0.05 0.15 -0.16 0.00 -0.53 0.00 0.00 54.79 54.30 1a7a n ASP 422 Cb 0.03 -0.16 0.16 0.00 -0.64 0.00 0.00 41.12 40.51 1a7a n ASP 422 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a7a n GLY 423 N 3.05 -2.38 3.42 0.44 0.00 -1.19 -4.81 105.19 103.72 1a7a n GLY 423 Ca 0.00 -0.77 -0.55 0.00 0.00 0.00 0.00 46.02 44.69 1a7a n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a7a n PRO 424 N -2.21 0.00 0.00 1.61 -0.02 -1.26 -4.64 135.00 128.48 1a7a n PRO 424 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1a7a n PRO 424 Cb 0.32 -1.35 0.01 0.00 -0.02 0.00 0.00 33.50 32.46 1a7a n PRO 424 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1a7a n PHE 425 N 1.10 0.00 -3.66 6.00 3.72 -1.26 -4.54 117.46 118.82 1a7a n PHE 425 Ca 0.19 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1a7a n PHE 425 Cb 0.12 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1a7a n PHE 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1a7a s LYS 426 N -2.41 0.99 0.64 -1.08 1.02 -1.26 -5.14 119.74 112.51 1a7a s LYS 426 Ca 0.20 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1a7a s LYS 426 Cb 0.18 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.92 1a7a s LYS 426 CO 0.53 -0.37 1.25 -2.14 -0.92 0.00 0.00 175.35 173.71 1a7a s PRO 427 N -3.26 2.61 0.52 -1.68 0.02 -1.26 -4.90 135.00 127.05 1a7a s PRO 427 Ca -0.00 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.21 1a7a s PRO 427 Cb 0.01 -1.87 1.38 0.00 0.02 0.00 0.00 34.50 34.04 1a7a s PRO 427 CO -0.08 -1.52 1.98 -0.44 -0.33 0.00 0.00 177.00 176.61 1a7a h ASP 428 N 0.52 0.03 0.35 2.53 3.32 -2.03 0.44 116.42 121.57 1a7a h ASP 428 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1a7a h ASP 428 Cb 1.32 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1a7a h ASP 428 CO 0.53 0.02 -0.09 0.00 -1.72 0.00 0.00 179.24 177.98 1a7a n HIS 429 N -4.38 0.00 -1.67 4.55 1.44 -1.26 -4.90 115.22 109.00 1a7a n HIS 429 Ca 0.11 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.38 1a7a n HIS 429 Cb 0.63 -0.18 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 1a7a n HIS 429 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1a7a n TYR 430 N -0.96 2.16 0.26 -1.40 9.36 0.14 -4.89 117.16 121.83 1a7a n TYR 430 Ca 0.15 0.47 0.09 0.00 3.32 0.00 0.00 57.90 61.93 1a7a n TYR 430 Cb 0.26 -2.44 0.15 0.00 -0.63 0.00 0.00 39.34 36.68 1a7a n TYR 430 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1a7a n ARG 431 N 1.62 2.08 -0.10 2.98 1.74 -1.26 -5.01 116.66 118.71 1a7a n ARG 431 Ca 0.10 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.25 1a7a n ARG 431 Cb 0.33 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1a7a n ARG 431 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77