#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7a n ASP 3 N 0.00 3.85 -2.40 -3.46 8.00 -1.26 -5.05 116.55 116.24 1a7a n ASP 3 Ca 0.00 -0.01 -0.34 0.00 0.71 0.00 0.00 54.79 55.14 1a7a n ASP 3 Cb 0.00 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1a7a n ASP 3 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1a7a n LYS 4 N -2.51 0.00 -1.86 -1.24 4.81 -1.26 -4.82 118.16 111.29 1a7a n LYS 4 Ca -0.06 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.97 1a7a n LYS 4 Cb 0.57 -0.80 -0.01 0.00 0.02 0.00 0.00 35.03 34.81 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 2.50 4.34 0.00 3.14 1.43 -1.26 -4.85 118.68 123.98 1a7a s LEU 5 Ca 0.61 2.98 0.11 0.00 -1.03 0.00 0.00 54.13 56.80 1a7a s LEU 5 Cb -0.80 -3.66 0.61 0.00 0.03 0.00 0.00 46.19 42.36 1a7a s LEU 5 CO 0.39 -0.82 1.23 -0.81 0.23 0.00 0.00 176.35 176.57 1a7a n PRO 6 N 0.64 0.21 0.00 1.29 -0.04 -1.26 -4.86 135.00 130.99 1a7a n PRO 6 Ca 0.01 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1a7a n PRO 6 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.21 0.00 -3.22 0.54 0.18 -1.26 -4.04 117.16 108.15 1a7a n TYR 7 Ca 0.06 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.88 1a7a n TYR 7 Cb 0.08 0.00 -0.02 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 0.26 -3.48 2.20 0.45 -4.95 119.74 112.74 1a7a s LYS 8 Ca 0.00 0.98 0.02 0.00 -0.36 0.00 0.00 55.97 56.61 1a7a s LYS 8 Cb 0.00 0.55 -0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1a7a s LYS 8 CO 0.00 -0.51 0.06 0.14 -0.36 0.00 0.00 175.35 174.68 1a7a s VAL 9 N 2.86 0.80 0.11 4.02 -7.23 -1.26 -2.49 120.40 117.20 1a7a s VAL 9 Ca 0.15 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1a7a s VAL 9 Cb -0.14 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 1a7a s VAL 9 CO -0.19 -0.10 1.74 0.00 -0.31 0.00 0.00 175.10 176.23 1a7a h ALA 10 N 2.37 0.08 -1.09 1.32 0.00 -1.90 -3.43 119.26 116.61 1a7a h ALA 10 Ca -0.39 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1a7a h ALA 10 Cb 1.24 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 1a7a h ALA 10 CO 0.64 -0.45 -0.37 0.34 0.00 0.00 0.00 179.25 179.41 1a7a s ASP 11 N -5.23 -1.35 0.63 0.00 2.15 -1.26 -5.01 116.67 106.60 1a7a s ASP 11 Ca -0.13 0.30 0.29 0.00 0.43 0.00 0.00 52.55 53.44 1a7a s ASP 11 Cb 0.07 1.96 1.54 0.00 -0.30 0.00 0.00 42.92 46.20 1a7a s ASP 11 CO 0.67 -0.30 1.90 -0.29 -0.17 0.00 0.00 175.17 176.99 1a7a h ILE 12 N 6.02 0.18 -0.20 4.11 6.09 -1.94 -1.09 117.51 130.67 1a7a h ILE 12 Ca -0.07 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.47 1a7a h ILE 12 Cb 1.18 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 1a7a h ILE 12 CO 0.19 0.00 0.16 1.23 -3.07 0.00 0.00 178.15 176.66 1a7a h GLY 13 N 0.00 0.00 1.67 8.18 0.00 -1.96 -0.89 103.07 110.07 1a7a h GLY 13 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 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 -4.22 0.00 -0.30 3.11 4.32 -0.41 -3.83 117.00 115.67 1a7a n LEU 14 Ca 0.02 0.34 0.03 0.00 -0.02 0.00 0.00 56.01 56.37 1a7a n LEU 14 Cb 0.30 -0.34 0.10 0.00 -1.62 0.00 0.00 43.42 41.86 1a7a n LEU 14 CO 0.32 -0.17 0.68 0.00 -1.22 0.00 0.00 177.39 177.01 1a7a h ALA 15 N 2.66 0.51 0.06 -1.18 0.00 -1.36 0.23 119.26 120.18 1a7a h ALA 15 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1a7a h ALA 15 Cb 0.17 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1a7a h ALA 15 CO 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 179.25 178.49 1a7a h ALA 16 N 1.78 -0.83 -0.22 0.00 0.00 -1.84 -0.33 119.26 117.82 1a7a h ALA 16 Ca 0.40 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1a7a h ALA 16 Cb 0.62 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1a7a h ALA 16 CO -0.88 -0.92 0.19 2.35 0.00 0.00 0.00 179.25 180.00 1a7a h TRP 17 N -0.47 0.00 0.79 0.00 7.01 -1.63 -1.33 115.95 120.32 1a7a h TRP 17 Ca -0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1a7a h TRP 17 Cb 0.48 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1a7a h TRP 17 CO -0.41 0.00 -0.45 0.78 -2.79 0.00 0.00 178.44 175.57 1a7a h GLY 18 N 0.00 -1.25 0.07 2.65 0.00 0.11 -2.15 103.07 102.49 1a7a h GLY 18 Ca 0.10 0.50 0.11 0.00 0.00 0.00 0.00 47.33 48.04 1a7a h GLY 18 CO -0.00 -0.44 -0.01 3.21 0.00 0.00 0.00 176.54 179.30 1a7a h ARG 19 N -1.16 0.11 -0.88 4.80 2.47 -0.09 -0.80 114.38 118.83 1a7a h ARG 19 Ca -0.10 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.69 1a7a h ARG 19 Cb 0.92 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 29.10 1a7a h ARG 19 CO 0.13 0.07 -0.58 0.87 0.56 0.00 0.00 179.97 181.02 1a7a h LYS 20 N 0.11 -0.08 0.19 0.04 1.79 -1.12 0.80 116.57 118.29 1a7a h LYS 20 Ca 0.28 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1a7a h LYS 20 Cb 0.43 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1a7a h LYS 20 CO -0.47 -0.05 -0.09 0.00 -1.08 0.00 0.00 179.45 177.76 1a7a h ALA 21 N 0.43 -0.25 -0.04 3.86 0.00 -0.65 -2.20 119.26 120.40 1a7a h ALA 21 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a7a h ALA 21 Cb 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1a7a h ALA 21 CO -0.87 -0.64 -0.22 -0.07 0.00 0.00 0.00 179.25 177.44 1a7a h LEU 22 N -0.26 -0.67 -0.92 0.00 3.38 -0.15 0.16 115.31 116.86 1a7a h LEU 22 Ca -0.03 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1a7a h LEU 22 Cb 0.20 0.28 -0.16 0.00 0.09 0.00 0.00 40.66 41.07 1a7a h LEU 22 CO 0.04 -0.29 0.18 0.44 0.09 0.00 0.00 178.44 178.91 1a7a h ASP 23 N -0.33 -0.15 0.20 -0.43 3.32 0.77 0.28 116.42 120.08 1a7a h ASP 23 Ca 0.07 0.23 -0.28 0.00 0.02 0.00 0.00 57.03 57.07 1a7a h ASP 23 Cb 0.43 0.34 0.02 0.00 0.22 0.00 0.00 39.33 40.35 1a7a h ASP 23 CO -0.23 -0.25 -1.19 0.40 -1.72 0.00 0.00 179.24 176.25 1a7a h ILE 24 N 0.12 1.32 -0.18 0.35 2.04 -0.69 -3.26 117.51 117.20 1a7a h ILE 24 Ca 0.59 -2.50 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 1a7a h ILE 24 Cb 1.24 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1a7a h ILE 24 CO -0.76 0.76 -0.02 0.00 0.00 0.00 0.00 178.15 178.13 1a7a h ALA 25 N 0.39 1.62 -0.22 1.87 0.00 0.21 -1.96 119.26 121.18 1a7a h ALA 25 Ca -0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1a7a h ALA 25 Cb 1.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1a7a h ALA 25 CO 0.22 0.28 -0.10 0.93 0.00 0.00 0.00 179.25 180.58 1a7a h GLU 26 N 0.26 0.35 0.00 0.00 5.08 -0.64 -1.07 114.58 118.57 1a7a h GLU 26 Ca 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a7a h GLU 26 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1a7a h GLU 26 CO 0.01 0.46 0.00 -1.71 -1.00 0.00 0.00 179.01 176.77 1a7a n ASN 27 N -4.26 0.00 -2.94 1.42 4.05 -0.74 -4.30 115.26 108.49 1a7a n ASN 27 Ca 0.00 -0.56 -0.34 0.00 0.45 0.00 0.00 54.58 54.12 1a7a n ASN 27 Cb 0.27 -0.11 0.01 0.00 1.23 0.00 0.00 39.78 41.18 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 -1.11 3.56 0.00 1.20 -0.58 -0.41 -5.10 120.64 118.20 1a7a n GLU 28 Ca 0.18 -4.25 0.00 0.00 -0.42 0.00 0.00 57.16 52.66 1a7a n GLU 28 Cb 0.14 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 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 -0.38 0.00 0.00 3.49 -0.04 -1.26 -3.69 135.00 133.12 1a7a n PRO 30 Ca 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1a7a n PRO 30 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.01 -2.04 1.21 0.55 0.00 -1.26 -0.52 105.19 103.11 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 -1.83 0.00 -0.97 0.99 4.77 -1.26 -4.68 117.00 114.02 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 0.77 -1.36 0.00 3.23 5.12 0.32 -4.72 116.66 120.02 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 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 -0.70 0.00 0.00 5.56 1.74 -1.26 -2.62 116.66 119.38 1a7a n ARG 36 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1a7a n ARG 36 Cb 0.13 0.00 0.60 0.00 -1.02 0.00 0.00 32.46 32.17 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 0.55 -0.02 5.56 0.28 -1.26 -0.55 120.64 125.21 1a7a n GLU 37 Ca 0.00 0.03 0.04 0.00 -0.16 0.00 0.00 57.16 57.07 1a7a n GLU 37 Cb 0.00 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 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 -1.09 0.71 0.00 3.44 0.63 -1.08 -4.70 116.66 114.57 1a7a n ARG 38 Ca 0.14 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1a7a n ARG 38 Cb 0.10 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -0.22 -0.14 4.01 -1.12 -4.73 117.16 112.93 1a7a n TYR 39 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.81 1a7a n TYR 39 Cb 0.44 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 39.90 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 0.54 0.13 7.72 0.87 -1.03 -0.43 113.55 121.35 1a7a h SER 40 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1a7a h SER 40 Cb 0.07 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1a7a h SER 40 CO 0.00 0.28 -0.06 0.00 -0.53 0.00 0.00 176.83 176.52 1a7a h ALA 41 N 1.62 -0.26 -0.35 6.23 0.00 -1.85 -3.34 119.26 121.32 1a7a h ALA 41 Ca 0.40 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1a7a h ALA 41 Cb 0.73 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a7a h ALA 41 CO -0.16 -0.24 0.39 0.66 0.00 0.00 0.00 179.25 179.90 1a7a h SER 42 N -0.67 0.00 -6.34 0.00 4.64 -1.82 -3.46 113.55 105.89 1a7a h SER 42 Ca -0.02 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.83 1a7a h SER 42 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1a7a h SER 42 CO 0.03 0.00 -0.87 0.29 -0.87 0.00 0.00 176.83 175.41 1a7a n LYS 43 N -3.70 -3.80 0.02 4.77 4.76 -0.18 -4.84 118.16 115.19 1a7a n LYS 43 Ca 0.06 0.48 0.22 0.00 -2.87 0.00 0.00 58.31 56.20 1a7a n LYS 43 Cb 0.55 -4.74 0.73 0.00 -1.84 0.00 0.00 35.03 29.72 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 -1.85 0.00 -0.57 1.97 0.13 -1.73 0.08 132.00 130.04 1a7a h PRO 44 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1a7a h PRO 44 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1a7a h PRO 44 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 1a7a n LEU 45 N -3.85 3.11 -4.67 1.56 4.77 -0.85 -4.77 117.00 112.30 1a7a n LEU 45 Ca 0.10 -1.56 -0.45 0.00 -0.03 0.00 0.00 56.01 54.07 1a7a n LEU 45 Cb 0.72 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1a7a n LEU 45 CO 0.30 0.60 1.10 1.17 -1.33 0.00 0.00 177.39 179.23 1a7a n LYS 46 N 0.75 2.12 0.00 3.23 4.81 0.02 -1.43 118.16 127.66 1a7a n LYS 46 Ca 0.17 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1a7a n LYS 46 Cb 0.56 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 2.69 2.83 3.75 3.14 0.00 -1.23 -4.99 105.19 111.39 1a7a n GLY 47 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.17 3.41 -0.56 4.61 0.00 -0.52 -4.91 121.76 121.62 1a7a s ALA 48 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1a7a s ALA 48 Cb 0.00 -3.35 0.14 0.00 0.00 0.00 0.00 23.12 19.91 1a7a s ALA 48 CO 0.00 -0.21 0.32 1.03 0.00 0.00 0.00 175.76 176.89 1a7a s ARG 49 N -1.00 2.14 -0.14 0.00 0.52 -1.26 -0.54 118.95 118.67 1a7a s ARG 49 Ca 0.47 -2.67 -0.27 0.00 -0.52 0.00 0.00 55.73 52.74 1a7a s ARG 49 Cb -0.32 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1a7a s ARG 49 CO 0.39 -1.13 0.90 0.42 0.02 0.00 0.00 175.30 175.89 1a7a s ILE 50 N -0.35 4.85 -0.40 1.52 1.01 -0.49 -0.52 121.20 126.83 1a7a s ILE 50 Ca 0.18 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.51 1a7a s ILE 50 Cb -0.23 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.08 1a7a s ILE 50 CO -0.02 0.03 0.24 0.00 0.00 0.00 0.00 174.94 175.19 1a7a s ALA 51 N 2.02 3.31 -0.11 9.38 0.00 -1.26 -1.80 121.76 133.31 1a7a s ALA 51 Ca 0.42 -1.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.43 1a7a s ALA 51 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1a7a s ALA 51 CO 0.15 -1.51 0.15 0.20 0.00 0.00 0.00 175.76 174.75 1a7a s GLY 52 N 1.83 2.17 -0.42 0.00 0.00 -0.45 -2.17 107.32 108.27 1a7a s GLY 52 Ca 0.02 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.15 1a7a s GLY 52 CO 0.05 -0.40 0.44 0.00 0.00 0.00 0.00 173.10 173.19 1a7a s LEU 54 N -0.64 1.25 0.00 0.00 0.20 -0.79 -2.52 118.68 116.18 1a7a s LEU 54 Ca 0.34 0.26 0.00 0.00 0.69 0.00 0.00 54.13 55.41 1a7a s LEU 54 Cb 0.10 0.38 0.00 0.00 -0.43 0.00 0.00 46.19 46.24 1a7a s LEU 54 CO -0.15 -0.08 0.00 1.41 -0.29 0.00 0.00 176.35 177.24 1a7a n HIS 55 N 3.45 0.00 0.00 5.38 8.25 -1.26 -4.22 115.22 126.82 1a7a n HIS 55 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1a7a n HIS 55 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.22 1.59 -2.24 -1.26 -4.66 114.28 107.49 1a7a n THR 57 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1a7a n THR 57 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.00 0.10 -0.24 2.28 2.07 -1.92 0.72 116.25 120.26 1a7a h VAL 58 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1a7a h VAL 58 Cb 0.00 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 1a7a h VAL 58 CO 0.00 0.00 -0.29 -0.33 0.02 0.00 0.00 177.57 176.97 1a7a h GLU 59 N -0.19 -0.29 -0.99 1.57 3.07 -1.95 0.02 114.58 115.82 1a7a h GLU 59 Ca 0.20 0.02 0.21 0.00 -0.50 0.00 0.00 59.36 59.29 1a7a h GLU 59 Cb 0.56 0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 28.44 1a7a h GLU 59 CO -0.71 -0.19 0.62 1.15 -1.40 0.00 0.00 179.01 178.48 1a7a h THR 60 N -0.30 0.66 -0.70 1.13 2.02 -1.23 0.11 112.91 114.59 1a7a h THR 60 Ca 0.13 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1a7a h THR 60 Cb 0.51 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1a7a h THR 60 CO -0.41 0.11 0.46 0.00 0.37 0.00 0.00 175.52 176.05 1a7a h ALA 61 N 1.64 0.90 -0.53 6.16 0.00 0.10 0.36 119.26 127.89 1a7a h ALA 61 Ca 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1a7a h ALA 61 Cb 1.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1a7a h ALA 61 CO -0.32 0.29 0.20 0.28 0.00 0.00 0.00 179.25 179.70 1a7a h VAL 62 N 0.93 1.20 0.23 0.00 2.07 -0.40 -1.04 116.25 119.24 1a7a h VAL 62 Ca 0.26 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1a7a h VAL 62 Cb -0.08 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1a7a h VAL 62 CO -0.07 0.25 -0.11 0.25 0.02 0.00 0.00 177.57 177.91 1a7a h LEU 63 N 0.76 -0.26 -0.57 2.57 5.85 -0.73 -1.61 115.31 121.31 1a7a h LEU 63 Ca 0.18 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1a7a h LEU 63 Cb 0.17 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1a7a h LEU 63 CO -0.02 0.06 -0.09 0.40 -0.34 0.00 0.00 178.44 178.45 1a7a h ILE 64 N -0.61 0.47 -0.01 4.05 2.04 0.09 0.20 117.51 123.75 1a7a h ILE 64 Ca -0.03 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1a7a h ILE 64 Cb 0.44 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1a7a h ILE 64 CO 0.05 0.01 -0.36 -0.33 0.00 0.00 0.00 178.15 177.52 1a7a h GLU 65 N 0.04 0.01 -0.34 2.37 5.08 -1.18 -2.28 114.58 118.29 1a7a h GLU 65 Ca 0.28 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1a7a h GLU 65 Cb 0.44 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1a7a h GLU 65 CO -0.55 0.37 0.05 1.15 -1.00 0.00 0.00 179.01 179.04 1a7a h THR 66 N 0.01 1.24 -0.72 1.13 2.02 0.33 0.16 112.91 117.07 1a7a h THR 66 Ca -0.00 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1a7a h THR 66 Cb 0.65 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1a7a h THR 66 CO 0.05 0.28 0.42 -0.07 0.37 0.00 0.00 175.52 176.56 1a7a h LEU 67 N 0.39 0.64 -0.17 2.58 3.38 -0.67 -1.77 115.31 119.69 1a7a h LEU 67 Ca 0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1a7a h LEU 67 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1a7a h LEU 67 CO 0.01 0.41 0.09 0.58 0.09 0.00 0.00 178.44 179.62 1a7a h VAL 68 N 0.77 1.11 -0.31 1.22 2.07 -0.92 -1.95 116.25 118.24 1a7a h VAL 68 Ca 0.32 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1a7a h VAL 68 Cb 0.17 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1a7a h VAL 68 CO -0.17 0.10 0.26 0.74 0.02 0.00 0.00 177.57 178.52 1a7a h THR 69 N 0.16 0.64 -0.01 2.57 2.02 -0.12 0.99 112.91 119.16 1a7a h THR 69 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1a7a h THR 69 Cb 0.09 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1a7a h THR 69 CO -0.01 0.00 -0.04 0.18 0.37 0.00 0.00 175.52 176.02 1a7a n LEU 70 N -4.12 0.55 -0.31 2.58 4.32 -0.72 -4.43 117.00 114.87 1a7a n LEU 70 Ca 0.04 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1a7a n LEU 70 Cb 0.42 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1a7a n LEU 70 CO 0.32 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 1a7a n GLY 71 N 1.16 0.96 3.35 -0.72 0.00 0.34 -2.00 105.19 108.28 1a7a n GLY 71 Ca 0.19 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.63 2.46 0.44 4.61 0.00 -1.09 -2.60 121.76 122.95 1a7a s ALA 72 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 1a7a s ALA 72 Cb 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 1a7a s ALA 72 CO 0.00 0.37 1.21 -1.21 0.00 0.00 0.00 175.76 176.13 1a7a s GLU 73 N -0.03 3.83 -0.03 0.00 2.02 0.30 -4.26 118.70 120.53 1a7a s GLU 73 Ca -0.05 1.90 -0.03 0.00 0.02 0.00 0.00 54.97 56.82 1a7a s GLU 73 Cb -0.14 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1a7a s GLU 73 CO 0.04 -0.53 0.08 0.08 0.02 0.00 0.00 175.26 174.96 1a7a s VAL 74 N -1.43 -0.00 -0.03 2.63 1.01 -1.26 -1.39 120.40 119.92 1a7a s VAL 74 Ca 0.61 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1a7a s VAL 74 Cb -0.32 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1a7a s VAL 74 CO 0.40 0.00 -0.08 -1.10 0.00 0.00 0.00 175.10 174.32 1a7a s GLN 75 N 0.09 0.86 0.09 2.72 -0.21 -0.75 -4.13 119.66 118.34 1a7a s GLN 75 Ca -0.00 -0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.15 1a7a s GLN 75 Cb -0.01 -0.81 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 1a7a s GLN 75 CO -0.00 0.07 -0.08 -0.46 -2.12 0.00 0.00 175.29 172.70 1a7a s TRP 76 N 0.29 0.93 0.09 0.91 -0.11 0.32 -1.35 118.94 120.03 1a7a s TRP 76 Ca -0.04 -0.74 -0.17 0.00 1.22 0.00 0.00 56.10 56.36 1a7a s TRP 76 Cb -0.09 -0.52 0.04 0.00 -1.50 0.00 0.00 33.47 31.40 1a7a s TRP 76 CO 0.00 -0.07 0.41 -1.54 -4.62 0.00 0.00 176.95 171.13 1a7a s SER 77 N -2.58 -0.27 0.53 5.86 1.04 -0.77 -0.58 113.70 116.93 1a7a s SER 77 Ca 0.06 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 1a7a s SER 77 Cb -0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1a7a s SER 77 CO -0.02 -0.78 0.90 -0.55 0.98 0.00 0.00 173.24 173.77 1a7a s SER 78 N -2.48 6.32 -0.08 7.02 0.15 -1.26 -1.88 113.70 121.50 1a7a s SER 78 Ca -0.00 1.21 0.18 0.00 0.70 0.00 0.00 55.95 58.03 1a7a s SER 78 Cb 0.01 -2.37 0.64 0.00 -1.71 0.00 0.00 66.02 62.59 1a7a s SER 78 CO -0.08 -0.67 1.54 0.00 1.20 0.00 0.00 173.24 175.23 1a7a s ASN 80 N -0.89 -0.75 0.49 0.00 3.84 -1.26 -4.90 114.94 111.47 1a7a s ASN 80 Ca 0.46 1.43 0.32 0.00 0.21 0.00 0.00 52.86 55.29 1a7a s ASN 80 Cb 0.28 1.44 1.43 0.00 -0.55 0.00 0.00 41.25 43.86 1a7a s ASN 80 CO 0.24 -0.25 1.96 0.16 -2.79 0.00 0.00 177.10 176.43 1a7a h ILE 81 N 4.03 0.00 0.00 -5.21 3.07 -1.90 -3.25 117.51 114.25 1a7a h ILE 81 Ca -0.29 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1a7a h ILE 81 Cb 1.16 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1a7a h ILE 81 CO 0.06 0.00 -1.39 0.49 -1.05 0.00 0.00 178.15 176.26 1a7a n PHE 82 N -2.85 0.00 0.66 0.16 3.72 -1.26 -0.41 117.46 117.48 1a7a n PHE 82 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.51 1a7a n PHE 82 Cb 0.24 -0.23 0.44 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.81 0.16 -4.77 4.37 3.41 -1.23 -4.52 113.62 109.23 1a7a n SER 83 Ca -0.02 0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 58.73 1a7a n SER 83 Cb 0.29 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 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 -3.05 2.67 -0.32 6.66 2.01 -1.26 -4.60 115.64 117.76 1a7a s THR 84 Ca 0.09 0.62 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 1a7a s THR 84 Cb 0.13 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.31 1a7a s THR 84 CO 0.40 0.10 0.06 -1.10 -0.69 0.00 0.00 174.62 173.39 1a7a s GLN 85 N -2.13 2.60 0.14 4.92 -0.21 -1.26 -4.12 119.66 119.60 1a7a s GLN 85 Ca 0.55 -1.17 -0.19 0.00 0.02 0.00 0.00 55.36 54.56 1a7a s GLN 85 Cb -0.38 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.29 1a7a s GLN 85 CO 0.49 -0.62 1.69 -0.91 -2.12 0.00 0.00 175.29 173.82 1a7a h ASN 86 N 8.14 -0.25 -0.46 5.90 2.35 -1.94 0.36 115.58 129.68 1a7a h ASN 86 Ca -0.23 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1a7a h ASN 86 Cb 1.08 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1a7a h ASN 86 CO 0.58 -0.09 0.31 1.12 -1.65 0.00 0.00 177.43 177.70 1a7a h HIS 87 N -0.01 0.55 -0.16 1.19 2.07 -1.90 0.67 115.15 117.56 1a7a h HIS 87 Ca 0.12 0.01 -0.18 0.00 -2.85 0.00 0.00 60.37 57.48 1a7a h HIS 87 Cb 0.20 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 29.99 1a7a h HIS 87 CO -0.26 0.34 -0.64 0.00 -3.07 0.00 0.00 177.93 174.29 1a7a h ALA 88 N 1.72 0.57 0.03 6.11 0.00 -1.76 -0.56 119.26 125.37 1a7a h ALA 88 Ca 0.18 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a7a h ALA 88 Cb -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a7a h ALA 88 CO -0.04 0.71 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1a7a h ALA 89 N 0.85 -0.04 0.06 0.00 0.00 0.13 -2.78 119.26 117.49 1a7a h ALA 89 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a7a h ALA 89 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a7a h ALA 89 CO 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.86 1a7a h ALA 90 N 0.84 -0.08 -0.75 0.00 0.00 0.30 -1.87 119.26 117.69 1a7a h ALA 90 Ca -0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1a7a h ALA 90 Cb 0.11 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1a7a h ALA 90 CO 0.01 -0.55 -0.16 0.00 0.00 0.00 0.00 179.25 178.55 1a7a h ALA 91 N 0.85 0.53 -0.72 0.00 0.00 -1.03 0.28 119.26 119.17 1a7a h ALA 91 Ca -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1a7a h ALA 91 Cb 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1a7a h ALA 91 CO 0.01 -0.41 0.22 0.82 0.00 0.00 0.00 179.25 179.89 1a7a h ILE 92 N 0.01 1.26 0.21 0.00 1.08 -1.20 -1.66 117.51 117.22 1a7a h ILE 92 Ca 0.37 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1a7a h ILE 92 Cb 0.58 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1a7a h ILE 92 CO -0.76 0.35 -0.10 0.00 -0.69 0.00 0.00 178.15 176.95 1a7a h ALA 93 N 1.11 -0.29 -0.23 1.87 0.00 -0.04 -1.55 119.26 120.13 1a7a h ALA 93 Ca 0.23 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1a7a h ALA 93 Cb 0.31 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a7a h ALA 93 CO -0.01 -0.65 0.24 -0.22 0.00 0.00 0.00 179.25 178.61 1a7a h LYS 94 N -0.31 0.00 0.00 0.00 3.64 -0.35 0.20 116.57 119.75 1a7a h LYS 94 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a7a h LYS 94 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1a7a h LYS 94 CO 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 1a7a n ALA 95 N -2.37 2.35 -1.21 5.00 0.00 -0.60 -4.85 120.51 118.83 1a7a n ALA 95 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1a7a n ALA 95 Cb 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.52 0.49 3.38 0.00 0.00 0.71 -5.04 105.19 105.24 1a7a n GLY 96 Ca 0.17 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 3.52 -0.23 -0.61 1.01 -1.11 -5.06 121.20 116.73 1a7a s ILE 97 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 1a7a s ILE 97 Cb 0.00 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1a7a s ILE 97 CO 0.00 0.45 2.23 -2.65 0.00 0.00 0.00 174.94 174.98 1a7a n PRO 98 N 4.23 1.92 -5.23 2.79 -0.02 -1.26 -4.04 135.00 133.39 1a7a n PRO 98 Ca -0.18 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1a7a n PRO 98 Cb 0.52 -3.24 -0.16 0.00 -0.02 0.00 0.00 33.50 30.60 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 8.47 2.06 -0.40 -1.45 1.01 -1.26 -0.52 120.40 128.31 1a7a s VAL 99 Ca 1.01 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1a7a s VAL 99 Cb -0.34 -1.71 0.15 0.00 0.00 0.00 0.00 36.38 34.48 1a7a s VAL 99 CO 0.35 0.54 0.26 -0.31 0.00 0.00 0.00 175.10 175.94 1a7a s TYR 100 N -0.64 1.17 -0.09 5.22 1.51 0.25 -0.41 117.35 124.35 1a7a s TYR 100 Ca 0.10 -2.02 -0.30 0.00 -1.01 0.00 0.00 57.07 53.84 1a7a s TYR 100 Cb -0.10 -1.17 0.11 0.00 -0.11 0.00 0.00 41.96 40.69 1a7a s TYR 100 CO -0.00 -0.81 0.94 0.00 -1.11 0.00 0.00 175.55 174.57 1a7a s ALA 101 N 0.58 -1.88 -0.23 3.71 0.00 -1.04 -4.04 121.76 118.84 1a7a s ALA 101 Ca 0.22 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 1a7a s ALA 101 Cb -0.16 -0.17 0.14 0.00 0.00 0.00 0.00 23.12 22.93 1a7a s ALA 101 CO -0.05 -0.48 1.10 1.67 0.00 0.00 0.00 175.76 177.99 1a7a s TRP 102 N -2.01 -0.34 0.05 0.00 -2.14 -1.26 -4.22 118.94 109.01 1a7a s TRP 102 Ca 0.01 0.73 -0.30 0.00 2.66 0.00 0.00 56.10 59.19 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 -0.03 -0.23 1.72 0.21 -2.66 0.00 0.00 176.95 175.96 1a7a s LYS 103 N -0.44 4.18 0.00 3.25 2.20 -1.26 -3.43 119.74 124.24 1a7a s LYS 103 Ca 0.02 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1a7a s LYS 103 Cb -0.03 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1a7a s LYS 103 CO -0.04 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1a7a n GLY 104 N 4.12 0.98 3.83 5.54 0.00 0.45 -5.00 105.19 115.11 1a7a n GLY 104 Ca 0.17 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.84 1.46 0.20 1.61 2.02 -0.62 -5.03 118.70 117.50 1a7a s GLU 105 Ca 0.00 0.23 0.08 0.00 0.02 0.00 0.00 54.97 55.30 1a7a s GLU 105 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1a7a s GLU 105 CO 0.00 -1.97 0.00 0.95 0.02 0.00 0.00 175.26 174.26 1a7a s THR 106 N -3.39 3.64 0.36 3.63 -4.23 -1.26 -4.88 115.64 109.51 1a7a s THR 106 Ca 0.63 -1.58 0.17 0.00 -1.18 0.00 0.00 61.69 59.73 1a7a s THR 106 Cb -0.13 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.20 1a7a s THR 106 CO 0.52 -0.19 1.68 0.44 -0.54 0.00 0.00 174.62 176.52 1a7a h ASP 107 N 2.43 0.48 0.12 3.99 3.32 -1.99 0.45 116.42 125.23 1a7a h ASP 107 Ca -0.46 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1a7a h ASP 107 Cb 1.22 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1a7a h ASP 107 CO 0.58 -0.10 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.62 1a7a h GLU 108 N 0.32 -0.16 -0.99 3.56 3.07 -1.99 -2.53 114.58 115.85 1a7a h GLU 108 Ca 0.72 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.68 1a7a h GLU 108 Cb 1.75 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.63 1a7a h GLU 108 CO -0.53 0.26 0.64 0.93 -1.40 0.00 0.00 179.01 178.90 1a7a h GLU 109 N -0.64 1.07 0.31 2.33 5.08 -1.23 0.16 114.58 121.65 1a7a h GLU 109 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1a7a h GLU 109 Cb 0.49 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1a7a h GLU 109 CO 0.03 0.71 -0.51 -0.92 -1.00 0.00 0.00 179.01 177.31 1a7a h TYR 110 N 1.11 -1.46 -0.52 4.33 3.20 -0.17 0.13 116.97 123.59 1a7a h TYR 110 Ca 0.45 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.40 1a7a h TYR 110 Cb 0.27 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1a7a h TYR 110 CO -0.00 -0.63 0.34 1.25 -1.64 0.00 0.00 178.16 177.48 1a7a h LEU 111 N -0.88 0.41 -0.23 2.82 7.12 -0.96 -2.14 115.31 121.46 1a7a h LEU 111 Ca -0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 1a7a h LEU 111 Cb 0.81 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1a7a h LEU 111 CO -0.18 0.27 0.08 -0.25 -0.13 0.00 0.00 178.44 178.23 1a7a h TRP 112 N 0.46 0.36 0.43 1.25 7.01 0.46 -2.93 115.95 122.98 1a7a h TRP 112 Ca 0.22 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1a7a h TRP 112 Cb 0.29 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1a7a h TRP 112 CO -0.00 0.40 -0.37 0.00 -2.79 0.00 0.00 178.44 175.68 1a7a h ILE 114 N -0.81 0.13 -0.89 0.00 2.04 -1.53 0.03 117.51 116.48 1a7a h ILE 114 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 1a7a h ILE 114 Cb 0.70 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1a7a h ILE 114 CO -0.03 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.28 1a7a h GLU 115 N -0.11 0.69 0.00 2.37 5.08 -1.31 0.00 114.58 121.30 1a7a h GLU 115 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1a7a h GLU 115 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1a7a h GLU 115 CO -0.77 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 178.74 1a7a n GLN 116 N -4.81 0.12 0.01 2.33 1.13 -0.01 -2.05 117.38 114.11 1a7a n GLN 116 Ca 0.18 0.60 0.11 0.00 -1.94 0.00 0.00 57.00 55.94 1a7a n GLN 116 Cb 0.43 -1.89 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 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 -2.15 0.11 -0.19 5.09 -2.24 -0.02 -4.50 114.28 110.38 1a7a n THR 117 Ca -0.01 -0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 1a7a n THR 117 Cb 0.05 0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.58 -9.05 3.22 3.38 -1.42 -3.43 115.31 108.60 1a7a h LEU 118 Ca 0.00 -0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1a7a h LEU 118 Cb 0.79 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.24 1a7a h LEU 118 CO 0.00 0.41 -0.59 -0.31 0.09 0.00 0.00 178.44 178.04 1a7a s TYR 119 N -6.14 3.19 0.41 1.13 1.51 -1.26 -2.47 117.35 113.72 1a7a s TYR 119 Ca -0.13 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1a7a s TYR 119 Cb 0.13 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1a7a s TYR 119 CO 0.75 0.14 0.46 -0.06 -1.11 0.00 0.00 175.55 175.73 1a7a s PHE 120 N 0.25 2.77 0.40 2.71 0.40 0.31 -4.99 117.98 119.82 1a7a s PHE 120 Ca 0.02 -0.44 0.38 0.00 -0.60 0.00 0.00 56.93 56.29 1a7a s PHE 120 Cb -0.13 -2.25 2.05 0.00 0.51 0.00 0.00 43.02 43.20 1a7a s PHE 120 CO 0.01 -0.25 2.15 -0.22 0.70 0.00 0.00 175.22 177.62 1a7a h LYS 121 N 0.86 0.00 0.00 0.44 3.64 -2.00 -2.31 116.57 117.19 1a7a h LYS 121 Ca -0.41 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1a7a h LYS 121 Cb 1.27 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.96 1a7a h LYS 121 CO 0.52 0.00 -0.68 -0.40 -2.27 0.00 0.00 179.45 176.62 1a7a n ASP 122 N -2.82 1.48 0.00 4.20 5.75 -1.26 -5.11 116.55 118.79 1a7a n ASP 122 Ca -0.03 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 1a7a n ASP 122 Cb 0.06 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.59 1.01 3.79 6.12 0.00 -0.87 -5.09 105.19 109.57 1a7a n GLY 123 Ca 0.15 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.08 2.54 0.45 1.61 0.02 -1.26 -0.53 135.00 136.75 1a7a s PRO 124 Ca 0.00 1.01 -0.22 0.00 0.02 0.00 0.00 61.00 61.81 1a7a s PRO 124 Cb 0.00 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 1a7a s PRO 124 CO 0.00 -1.40 0.77 1.47 -0.33 0.00 0.00 177.00 177.51 1a7a n LEU 125 N -3.34 1.44 -0.69 -5.54 -0.00 -1.03 -4.85 117.00 102.99 1a7a n LEU 125 Ca 0.08 0.94 0.11 0.00 -0.00 0.00 0.00 56.01 57.13 1a7a n LEU 125 Cb 0.54 -1.24 0.05 0.00 -0.00 0.00 0.00 43.42 42.76 1a7a n LEU 125 CO 0.55 -2.24 0.46 0.59 -0.00 0.00 0.00 177.39 176.74 1a7a n ASN 126 N 0.71 2.41 -3.60 1.45 3.02 0.32 -4.20 115.26 115.38 1a7a n ASN 126 Ca 0.11 -1.71 -0.01 0.00 -0.03 0.00 0.00 54.58 52.95 1a7a n ASN 126 Cb 0.41 0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 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 -2.05 -0.91 -0.36 2.41 1.01 -0.72 0.13 121.20 120.70 1a7a s ILE 128 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1a7a s ILE 128 Cb 0.18 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.72 1a7a s ILE 128 CO 0.39 0.00 0.13 -0.22 0.00 0.00 0.00 174.94 175.24 1a7a s LEU 129 N 2.81 4.67 0.19 2.97 0.20 -0.92 -0.64 118.68 127.96 1a7a s LEU 129 Ca -0.05 -1.58 0.10 0.00 0.69 0.00 0.00 54.13 53.29 1a7a s LEU 129 Cb -0.11 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 1a7a s LEU 129 CO -0.19 -0.42 -0.18 -0.62 -0.29 0.00 0.00 176.35 174.65 1a7a s ASP 130 N 1.62 3.77 -0.33 3.68 -1.08 0.26 -1.64 116.67 122.95 1a7a s ASP 130 Ca 0.02 -0.75 -0.02 0.00 -0.52 0.00 0.00 52.55 51.28 1a7a s ASP 130 Cb -0.21 -0.44 0.12 0.00 -1.46 0.00 0.00 42.92 40.92 1a7a s ASP 130 CO -0.01 0.11 0.16 -0.62 0.52 0.00 0.00 175.17 175.33 1a7a s ASP 131 N -2.75 3.41 0.00 -0.34 -1.08 -1.05 -1.59 116.67 113.28 1a7a s ASP 131 Ca 0.23 -1.78 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1a7a s ASP 131 Cb -0.08 -0.50 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 1a7a s ASP 131 CO 0.12 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1a7a n GLY 132 N 4.61 2.09 1.66 2.66 0.00 -1.26 -4.68 105.19 110.27 1a7a n GLY 132 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.18 0.78 0.23 -0.02 0.00 -1.26 -3.95 105.19 100.79 1a7a n GLY 133 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.69 0.49 1.61 3.32 -1.93 0.32 116.42 120.92 1a7a h ASP 134 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1a7a h ASP 134 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1a7a h ASP 134 CO 0.00 0.59 -0.23 0.25 -1.72 0.00 0.00 179.24 178.13 1a7a h LEU 135 N 0.73 -0.55 -1.71 1.55 6.46 -1.92 0.93 115.31 120.78 1a7a h LEU 135 Ca 0.19 -0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1a7a h LEU 135 Cb 0.06 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1a7a h LEU 135 CO -0.03 -0.19 0.39 0.71 -0.62 0.00 0.00 178.44 178.70 1a7a h THR 136 N -0.98 0.87 -0.13 1.05 1.35 -1.97 -0.96 112.91 112.14 1a7a h THR 136 Ca -0.07 -0.11 -0.15 0.00 -0.55 0.00 0.00 66.41 65.53 1a7a h THR 136 Cb 0.60 0.52 0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1a7a h THR 136 CO 0.11 0.06 -0.51 -1.13 -0.25 0.00 0.00 175.52 173.80 1a7a h ASN 137 N 0.32 0.67 -0.15 5.36 -0.73 -0.16 -2.58 115.58 118.31 1a7a h ASN 137 Ca 0.27 -0.62 0.01 0.00 1.87 0.00 0.00 56.30 57.83 1a7a h ASN 137 Cb 0.62 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 1a7a h ASN 137 CO -0.06 1.18 0.05 0.25 -0.37 0.00 0.00 177.43 178.48 1a7a h LEU 138 N 0.21 0.06 0.34 0.34 5.85 0.25 -1.43 115.31 120.93 1a7a h LEU 138 Ca -0.03 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1a7a h LEU 138 Cb 1.14 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1a7a h LEU 138 CO 0.11 0.06 -0.16 0.40 -0.34 0.00 0.00 178.44 178.50 1a7a h ILE 139 N 0.13 0.67 -0.68 4.05 2.04 -1.26 0.70 117.51 123.17 1a7a h ILE 139 Ca 0.06 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1a7a h ILE 139 Cb 0.03 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1a7a h ILE 139 CO -0.06 0.01 0.45 0.45 0.00 0.00 0.00 178.15 179.00 1a7a h HIS 140 N -0.47 0.43 0.01 1.37 3.86 -1.36 0.20 115.15 119.18 1a7a h HIS 140 Ca -0.05 0.01 -0.34 0.00 -1.16 0.00 0.00 60.37 58.83 1a7a h HIS 140 Cb 0.36 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 1a7a h HIS 140 CO -0.05 0.18 -2.12 0.25 0.86 0.00 0.00 177.93 177.05 1a7a n THR 141 N -4.47 1.51 0.18 2.45 -2.24 -0.55 -4.29 114.28 106.87 1a7a n THR 141 Ca 0.12 -0.79 0.02 0.00 -2.27 0.00 0.00 64.05 61.13 1a7a n THR 141 Cb 0.47 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.97 5.11 -2.65 -0.78 4.76 0.24 -4.75 118.16 117.12 1a7a n LYS 142 Ca -0.28 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.08 1a7a n LYS 142 Cb 1.09 -0.73 0.04 0.00 -1.84 0.00 0.00 35.03 33.59 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 -1.15 1.60 0.19 2.13 4.02 0.60 -4.92 117.16 119.64 1a7a n TYR 143 Ca 0.01 -2.29 0.16 0.00 -0.01 0.00 0.00 57.90 55.76 1a7a n TYR 143 Cb 0.07 -0.27 0.60 0.00 -0.02 0.00 0.00 39.34 39.73 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 2.59 0.00 0.00 -0.72 0.13 -1.49 0.78 132.00 133.29 1a7a h PRO 144 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 1a7a h PRO 144 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1a7a h PRO 144 CO 0.36 0.00 -0.30 1.96 -0.23 0.00 0.00 178.00 179.79 1a7a h GLN 145 N 0.00 0.00 0.00 0.86 4.20 -1.91 -2.94 115.11 115.32 1a7a h GLN 145 Ca 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1a7a h GLN 145 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1a7a h GLN 145 CO -0.00 0.26 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.21 1a7a h LEU 146 N 0.00 0.00 -0.12 1.46 3.38 -1.20 -3.36 115.31 115.48 1a7a h LEU 146 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a7a h LEU 146 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1a7a h LEU 146 CO 0.03 0.14 -0.29 0.25 0.09 0.00 0.00 178.44 178.67 1a7a h LEU 147 N 0.00 -0.93 0.00 1.67 5.85 -1.49 0.17 115.31 120.57 1a7a h LEU 147 Ca -0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1a7a h LEU 147 Cb 0.93 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1a7a h LEU 147 CO 0.02 -0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 177.07 1a7a n PRO 148 N -4.09 0.00 -0.00 5.25 -0.04 -1.26 0.15 135.00 135.01 1a7a n PRO 148 Ca -0.03 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1a7a n PRO 148 Cb 0.19 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.79 -0.85 3.73 0.55 0.00 0.57 -4.95 105.19 103.45 1a7a n GLY 149 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.09 5.12 -0.12 -0.61 1.01 0.12 -4.54 121.20 119.09 1a7a s ILE 150 Ca -0.00 1.09 0.16 0.00 0.00 0.00 0.00 60.65 61.90 1a7a s ILE 150 Cb 0.13 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 1a7a s ILE 150 CO 0.80 0.33 0.88 -0.09 0.00 0.00 0.00 174.94 176.87 1a7a h ARG 151 N 6.50 0.00 -1.44 2.79 2.43 0.74 -3.47 114.38 121.92 1a7a h ARG 151 Ca -0.42 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 58.91 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 0.33 0.71 0.20 -1.51 0.00 0.00 179.97 180.44 1a7a s GLY 152 N -4.77 -0.18 -0.02 2.80 0.00 -1.23 -4.41 107.32 99.50 1a7a s GLY 152 Ca -0.02 2.13 0.02 0.00 0.00 0.00 0.00 44.72 46.85 1a7a s GLY 152 CO 0.81 0.92 -0.07 -0.42 0.00 0.00 0.00 173.10 174.33 1a7a s ILE 153 N -1.46 3.67 -0.27 0.90 1.01 0.25 -1.76 121.20 123.53 1a7a s ILE 153 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1a7a s ILE 153 Cb -0.01 -2.56 0.08 0.00 0.01 0.00 0.00 42.46 39.99 1a7a s ILE 153 CO -0.03 0.47 0.06 -0.55 0.00 0.00 0.00 174.94 174.89 1a7a s SER 154 N -1.18 3.72 -0.04 3.58 0.15 0.18 -0.40 113.70 119.71 1a7a s SER 154 Ca 0.15 -1.37 -0.05 0.00 0.70 0.00 0.00 55.95 55.38 1a7a s SER 154 Cb -0.11 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 1a7a s SER 154 CO 0.05 -0.36 0.19 -0.70 1.20 0.00 0.00 173.24 173.62 1a7a s GLU 155 N 1.65 3.48 -0.07 5.44 -6.30 -1.01 -0.57 118.70 121.32 1a7a s GLU 155 Ca 0.05 -0.20 0.07 0.00 -2.50 0.00 0.00 54.97 52.39 1a7a s GLU 155 Cb -0.17 -3.12 -0.10 0.00 0.00 0.00 0.00 34.13 30.74 1a7a s GLU 155 CO -0.18 0.70 0.04 -1.91 0.02 0.00 0.00 175.26 173.93 1a7a n GLU 156 N 1.29 2.54 -4.12 4.30 2.13 -0.62 -1.63 120.64 124.53 1a7a n GLU 156 Ca -0.14 -0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.46 1a7a n GLU 156 Cb 0.53 -1.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.00 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 -2.22 4.24 0.21 6.31 -1.32 -1.26 -3.19 115.64 118.41 1a7a s THR 157 Ca -0.04 -1.47 -0.09 0.00 -1.21 0.00 0.00 61.69 58.89 1a7a s THR 157 Cb 0.03 -3.31 0.16 0.00 -1.51 0.00 0.00 72.50 67.86 1a7a s THR 157 CO 0.32 -0.34 1.75 0.74 -2.21 0.00 0.00 174.62 174.88 1a7a h THR 158 N 1.52 0.77 -0.41 5.08 2.02 -1.97 -1.82 112.91 118.10 1a7a h THR 158 Ca -0.48 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1a7a h THR 158 Cb 1.24 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1a7a h THR 158 CO 0.61 0.08 0.01 0.74 0.37 0.00 0.00 175.52 177.32 1a7a h THR 159 N 0.43 1.22 0.12 3.16 2.02 -1.96 -0.36 112.91 117.55 1a7a h THR 159 Ca 0.32 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1a7a h THR 159 Cb 0.40 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1a7a h THR 159 CO -0.31 0.31 -0.06 1.23 0.37 0.00 0.00 175.52 177.05 1a7a h GLY 160 N 0.91 -0.17 1.19 2.16 0.00 -1.55 -2.87 103.07 102.74 1a7a h GLY 160 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1a7a h GLY 160 CO 0.01 -0.06 0.39 -2.08 0.00 0.00 0.00 176.54 174.80 1a7a h VAL 161 N -0.57 0.99 -0.19 4.60 2.07 -1.23 -1.15 116.25 120.76 1a7a h VAL 161 Ca -0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1a7a h VAL 161 Cb 0.45 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1a7a h VAL 161 CO 0.03 0.10 0.09 -0.74 0.02 0.00 0.00 177.57 177.07 1a7a h HIS 162 N 0.55 0.17 -0.28 1.57 6.17 -0.96 -2.17 115.15 120.20 1a7a h HIS 162 Ca 0.25 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.29 1a7a h HIS 162 Cb 0.30 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 1a7a h HIS 162 CO -0.00 0.10 -0.07 -0.91 0.71 0.00 0.00 177.93 177.76 1a7a h ASN 163 N 0.20 0.42 -0.32 3.26 4.21 -1.02 -2.18 115.58 120.14 1a7a h ASN 163 Ca 0.08 -0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.53 1a7a h ASN 163 Cb 0.02 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 1a7a h ASN 163 CO -0.06 0.54 0.13 -0.07 -1.29 0.00 0.00 177.43 176.68 1a7a h LEU 164 N 0.42 0.18 -0.94 1.61 3.38 -0.75 -1.81 115.31 117.40 1a7a h LEU 164 Ca 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1a7a h LEU 164 Cb 0.39 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1a7a h LEU 164 CO 0.02 0.14 0.27 1.88 0.09 0.00 0.00 178.44 180.84 1a7a h TYR 165 N 0.29 1.06 0.00 1.13 0.05 -1.17 -3.41 116.97 114.92 1a7a h TYR 165 Ca 0.14 -0.07 -0.52 0.00 0.05 0.00 0.00 58.73 58.33 1a7a h TYR 165 Cb 0.08 -0.32 0.10 0.00 1.01 0.00 0.00 36.73 37.60 1a7a h TYR 165 CO -0.12 0.81 1.62 1.17 -1.05 0.00 0.00 178.16 180.60 1a7a n LYS 166 N -4.29 0.49 0.00 4.88 4.81 -0.68 -4.62 118.16 118.75 1a7a n LYS 166 Ca 0.06 -1.18 0.00 0.00 -0.87 0.00 0.00 58.31 56.33 1a7a n LYS 166 Cb 0.18 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 7.87 0.00 -1.60 3.14 0.00 -1.26 -4.77 120.51 123.89 1a7a n ALA 169 Ca 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1a7a n ALA 169 Cb 0.35 -0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.96 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 2.92 -1.85 0.00 3.02 -1.26 -4.95 115.26 113.14 1a7a n ASN 170 Ca 0.00 -3.83 -0.09 0.00 -0.03 0.00 0.00 54.58 50.64 1a7a n ASN 170 Cb 0.00 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 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 -1.04 0.18 0.07 7.41 0.00 -1.26 -4.79 105.19 105.76 1a7a n GLY 171 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.35 0.92 -1.96 -0.61 5.41 -1.26 -4.89 119.36 114.62 1a7a n ILE 172 Ca -0.10 -0.74 -0.42 0.00 1.00 0.00 0.00 62.75 62.49 1a7a n ILE 172 Cb 0.43 -0.31 -0.03 0.00 -0.71 0.00 0.00 39.64 39.02 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 -5.17 4.35 0.00 1.39 1.98 -1.26 -4.87 118.68 115.09 1a7a s LEU 173 Ca -0.09 2.34 0.09 0.00 -2.89 0.00 0.00 54.13 53.57 1a7a s LEU 173 Cb 0.09 -3.54 0.12 0.00 0.66 0.00 0.00 46.19 43.52 1a7a s LEU 173 CO 0.86 -0.92 0.90 0.29 -1.89 0.00 0.00 176.35 175.59 1a7a n LYS 174 N 6.73 1.03 -3.88 1.98 4.76 -1.26 -4.86 118.16 122.66 1a7a n LYS 174 Ca 0.17 -1.29 -0.11 0.00 -2.87 0.00 0.00 58.31 54.20 1a7a n LYS 174 Cb 0.42 -1.18 -0.13 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.81 0.03 0.26 -0.18 0.11 -1.26 -4.92 120.40 113.64 1a7a s VAL 175 Ca 0.12 -0.23 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 1a7a s VAL 175 Cb 0.08 -0.14 -0.12 0.00 -1.53 0.00 0.00 36.38 34.67 1a7a s VAL 175 CO 0.11 -0.13 1.62 -2.65 -3.33 0.00 0.00 175.10 170.72 1a7a n PRO 176 N 2.64 2.66 -4.23 1.54 -0.02 -1.26 -4.28 135.00 132.04 1a7a n PRO 176 Ca -0.15 0.95 -0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1a7a n PRO 176 Cb 0.58 -2.74 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 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 0.34 1.11 -0.13 3.55 0.00 0.22 0.85 121.76 127.70 1a7a s ALA 177 Ca 0.68 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1a7a s ALA 177 Cb -0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1a7a s ALA 177 CO 0.44 0.17 -0.08 0.42 0.00 0.00 0.00 175.76 176.71 1a7a s ILE 178 N -1.09 3.54 -1.12 0.00 1.01 0.46 -1.05 121.20 122.96 1a7a s ILE 178 Ca -0.01 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1a7a s ILE 178 Cb -0.09 -2.52 0.11 0.00 0.01 0.00 0.00 42.46 39.97 1a7a s ILE 178 CO 0.02 0.52 1.44 0.21 0.00 0.00 0.00 174.94 177.12 1a7a s ASN 179 N 0.19 6.77 0.22 3.58 2.47 0.25 -2.41 114.94 126.00 1a7a s ASN 179 Ca -0.04 -2.26 -0.06 0.00 0.42 0.00 0.00 52.86 50.92 1a7a s ASN 179 Cb -0.14 -2.49 0.19 0.00 -1.45 0.00 0.00 41.25 37.36 1a7a s ASN 179 CO 0.04 -1.11 1.70 0.58 -3.72 0.00 0.00 177.10 174.58 1a7a h VAL 180 N 5.69 1.26 -0.57 -5.21 2.07 -1.59 -3.21 116.25 114.68 1a7a h VAL 180 Ca 0.28 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1a7a h VAL 180 Cb 0.94 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1a7a h VAL 180 CO 1.31 0.39 0.21 -1.13 0.02 0.00 0.00 177.57 178.37 1a7a h ASN 181 N 0.87 0.20 -0.09 0.57 -0.73 -1.57 -0.99 115.58 113.84 1a7a h ASN 181 Ca 0.16 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1a7a h ASN 181 Cb 0.51 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1a7a h ASN 181 CO 0.02 0.13 0.00 0.47 -0.37 0.00 0.00 177.43 177.69 1a7a n ASP 182 N -5.00 1.57 -4.70 1.15 8.00 -1.21 -1.31 116.55 115.04 1a7a n ASP 182 Ca 0.07 -2.12 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 1a7a n ASP 182 Cb 0.25 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 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 -0.26 7.30 0.18 -2.24 0.15 -0.38 -4.90 113.70 113.56 1a7a s SER 183 Ca 0.08 1.67 -0.26 0.00 0.70 0.00 0.00 55.95 58.15 1a7a s SER 183 Cb 0.06 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 1a7a s SER 183 CO 0.03 -0.33 1.55 0.58 1.20 0.00 0.00 173.24 176.27 1a7a h VAL 184 N 4.85 0.02 0.00 4.45 2.07 -1.87 0.12 116.25 125.88 1a7a h VAL 184 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1a7a h VAL 184 Cb 1.20 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1a7a h VAL 184 CO 0.78 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.72 1a7a n THR 185 N -5.36 0.00 0.01 2.57 -2.24 -1.26 -2.14 114.28 105.85 1a7a n THR 185 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1a7a n THR 185 Cb 0.33 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.07 0.00 -0.17 -0.78 0.00 0.40 -4.29 118.16 113.26 1a7a n LYS 186 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.36 1a7a n LYS 186 Cb 0.04 -0.05 0.34 0.00 0.00 0.00 0.00 35.03 35.35 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 0.68 -0.36 3.14 4.64 -0.94 0.26 113.55 120.97 1a7a h SER 187 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a7a h SER 187 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1a7a h SER 187 CO 0.00 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 176.71 1a7a n LYS 188 N -4.47 1.87 0.01 4.77 4.76 -0.91 -3.82 118.16 120.37 1a7a n LYS 188 Ca 0.09 -1.35 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1a7a n LYS 188 Cb 0.16 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.60 -0.12 0.00 2.13 3.01 -0.69 -4.71 117.46 117.69 1a7a n PHE 189 Ca 0.13 0.02 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 1a7a n PHE 189 Cb 0.32 0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 40.14 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 -1.04 -0.50 4.37 1.82 -0.76 0.60 116.42 120.91 1a7a h ASP 190 Ca 0.00 0.12 0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1a7a h ASP 190 Cb 0.00 0.40 -0.08 0.00 0.68 0.00 0.00 39.33 40.34 1a7a h ASP 190 CO 0.00 -0.30 0.04 0.78 -1.61 0.00 0.00 179.24 178.14 1a7a h ASN 191 N -0.37 -0.14 0.00 2.28 -0.26 -1.66 0.18 115.58 115.62 1a7a h ASN 191 Ca 0.02 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1a7a h ASN 191 Cb 0.42 0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1a7a h ASN 191 CO -0.25 -0.04 0.00 -0.11 -1.06 0.00 0.00 177.43 175.97 1a7a n LEU 192 N -5.19 0.93 -0.23 1.61 7.94 -1.07 -3.56 117.00 117.42 1a7a n LEU 192 Ca 0.06 0.37 -0.03 0.00 -1.11 0.00 0.00 56.01 55.29 1a7a n LEU 192 Cb 0.26 -0.33 0.08 0.00 0.53 0.00 0.00 43.42 43.96 1a7a n LEU 192 CO 0.17 -0.33 1.12 1.88 -1.11 0.00 0.00 177.39 179.12 1a7a h TYR 193 N 0.00 0.76 0.11 1.96 0.05 0.06 -1.60 116.97 118.31 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 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 1a7a h TYR 193 CO 0.01 0.42 -0.36 0.78 -1.05 0.00 0.00 178.16 177.97 1a7a h GLY 194 N 0.79 -0.69 1.02 3.88 0.00 -0.30 -2.49 103.07 105.28 1a7a h GLY 194 Ca 0.27 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 48.01 1a7a h GLY 194 CO -0.12 -0.26 0.40 0.00 0.00 0.00 0.00 176.54 176.57 1a7a h ARG 196 N 1.08 0.00 0.00 0.00 2.43 -0.83 -1.30 114.38 115.75 1a7a h ARG 196 Ca 0.27 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.17 1a7a h ARG 196 Cb 0.07 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1a7a h ARG 196 CO -0.04 0.00 -2.01 0.39 -1.51 0.00 0.00 179.97 176.80 1a7a n GLU 197 N -3.96 1.41 0.06 0.20 1.02 -0.73 -4.61 120.64 114.03 1a7a n GLU 197 Ca 0.26 0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1a7a n GLU 197 Cb 1.32 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 31.23 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 0.16 0.22 1.62 4.64 -0.35 -3.28 113.55 116.56 1a7a h SER 198 Ca -0.40 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1a7a h SER 198 Cb 1.85 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 1a7a h SER 198 CO 0.01 1.15 -0.16 0.25 -0.87 0.00 0.00 176.83 177.20 1a7a h LEU 199 N 0.03 -0.42 -1.37 5.97 5.85 -1.51 -0.77 115.31 123.09 1a7a h LEU 199 Ca -0.11 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1a7a h LEU 199 Cb 1.89 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 43.02 1a7a h LEU 199 CO 0.14 -0.25 0.43 0.40 -0.34 0.00 0.00 178.44 178.82 1a7a h ILE 200 N -0.38 1.15 0.37 4.05 1.08 -1.79 -1.52 117.51 120.47 1a7a h ILE 200 Ca -0.01 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1a7a h ILE 200 Cb 0.34 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1a7a h ILE 200 CO -0.01 0.16 -0.35 -0.78 -0.69 0.00 0.00 178.15 176.48 1a7a h ASP 201 N 0.86 -0.95 -0.35 1.72 1.82 -1.47 0.20 116.42 118.25 1a7a h ASP 201 Ca 0.25 0.08 0.05 0.00 -0.39 0.00 0.00 57.03 57.02 1a7a h ASP 201 Cb -0.06 0.32 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 1a7a h ASP 201 CO -0.06 -0.50 0.08 1.23 -1.61 0.00 0.00 179.24 178.38 1a7a h GLY 202 N -0.74 0.41 0.84 -0.78 0.00 -0.62 -1.05 103.07 101.13 1a7a h GLY 202 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1a7a h GLY 202 CO -0.05 -0.02 -0.12 -2.22 0.00 0.00 0.00 176.54 174.13 1a7a h ILE 203 N 0.20 0.73 0.14 2.60 2.04 -0.95 -2.05 117.51 120.22 1a7a h ILE 203 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1a7a h ILE 203 Cb 0.18 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1a7a h ILE 203 CO -0.21 0.00 -0.31 0.11 0.00 0.00 0.00 178.15 177.74 1a7a h LYS 204 N -0.25 -0.53 -0.41 2.37 1.79 -0.32 0.64 116.57 119.87 1a7a h LYS 204 Ca 0.01 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1a7a h LYS 204 Cb 0.25 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1a7a h LYS 204 CO -0.04 -0.35 0.27 0.00 -1.08 0.00 0.00 179.45 178.25 1a7a h ARG 205 N -0.55 0.43 0.10 3.15 3.08 -1.20 1.04 114.38 120.43 1a7a h ARG 205 Ca 0.03 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1a7a h ARG 205 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1a7a h ARG 205 CO -0.17 0.29 -1.35 0.00 -1.07 0.00 0.00 179.97 177.67 1a7a h ALA 206 N 1.76 0.23 0.00 0.04 0.00 -0.86 -3.42 119.26 117.00 1a7a h ALA 206 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1a7a h ALA 206 Cb 0.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a7a h ALA 206 CO -0.04 1.10 -0.54 0.25 0.00 0.00 0.00 179.25 180.02 1a7a n THR 207 N -3.46 0.00 -1.75 0.00 -2.24 0.22 -4.98 114.28 102.08 1a7a n THR 207 Ca -0.11 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1a7a n THR 207 Cb 1.02 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.85 -4.09 0.00 3.42 8.00 0.35 -5.00 116.55 118.39 1a7a n ASP 208 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1a7a n ASP 208 Cb 0.00 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 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 -2.49 0.00 0.01 2.53 3.14 -1.26 -5.05 118.33 115.21 1a7a n VAL 209 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1a7a n VAL 209 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 -4.89 119.36 115.40 1a7a n ILE 211 Ca 0.00 0.01 -0.42 0.00 0.56 0.00 0.00 62.75 62.90 1a7a n ILE 211 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.11 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 -1.36 -0.77 -1.39 0.00 -1.17 -2.00 120.51 111.07 1a7a n ALA 212 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1a7a n ALA 212 Cb 0.13 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 0.76 3.86 0.00 0.00 0.21 -4.84 105.19 106.89 1a7a n GLY 213 Ca 0.12 0.00 -0.21 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 -0.31 2.65 -0.30 1.61 1.02 -0.85 -4.91 119.74 118.65 1a7a s LYS 214 Ca 0.00 -1.38 -0.10 0.00 0.02 0.00 0.00 55.97 54.52 1a7a s LYS 214 Cb 0.00 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1a7a s LYS 214 CO 0.00 0.01 0.15 0.08 -0.92 0.00 0.00 175.35 174.67 1a7a s VAL 215 N -2.36 4.67 -0.03 3.17 1.01 -1.26 0.26 120.40 125.86 1a7a s VAL 215 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1a7a s VAL 215 Cb -0.05 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1a7a s VAL 215 CO 0.27 0.12 0.01 0.00 0.00 0.00 0.00 175.10 175.50 1a7a s ALA 216 N 1.63 3.33 -0.14 5.51 0.00 -0.81 0.55 121.76 131.84 1a7a s ALA 216 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1a7a s ALA 216 Cb -0.17 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 1a7a s ALA 216 CO 0.07 0.64 -0.16 0.08 0.00 0.00 0.00 175.76 176.38 1a7a s VAL 217 N -1.04 2.64 -0.23 0.00 1.01 0.12 0.07 120.40 122.97 1a7a s VAL 217 Ca 0.18 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1a7a s VAL 217 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1a7a s VAL 217 CO 0.08 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 1a7a s VAL 218 N 0.61 1.93 -0.33 2.92 1.01 0.49 -0.54 120.40 126.49 1a7a s VAL 218 Ca -0.09 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.28 1a7a s VAL 218 Cb -0.16 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1a7a s VAL 218 CO 0.03 0.08 0.98 0.00 0.00 0.00 0.00 175.10 176.19 1a7a s ALA 219 N 1.24 3.48 0.00 5.51 0.00 -0.28 -2.24 121.76 129.47 1a7a s ALA 219 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1a7a s ALA 219 Cb -0.18 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1a7a s ALA 219 CO -0.07 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1a7a n GLY 220 N 4.06 2.15 2.57 0.00 0.00 0.15 -0.89 105.19 113.23 1a7a n GLY 220 Ca 0.09 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 1.97 1.98 -1.32 1.61 9.36 -1.26 -4.31 117.16 125.18 1a7a n TYR 221 Ca 0.00 -2.70 0.00 0.00 3.32 0.00 0.00 57.90 58.52 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 -0.34 0.45 0.22 2.98 0.00 -1.26 -4.43 105.19 102.81 1a7a n GLY 222 Ca 0.21 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.22 -0.57 1.61 3.32 -1.92 0.25 116.42 118.89 1a7a h ASP 223 Ca 0.00 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1a7a h ASP 223 Cb 0.00 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1a7a h ASP 223 CO 0.00 -0.09 -0.01 0.58 -1.72 0.00 0.00 179.24 178.01 1a7a h VAL 224 N 0.14 1.26 0.31 -1.35 2.07 -1.91 -2.28 116.25 114.49 1a7a h VAL 224 Ca 0.30 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1a7a h VAL 224 Cb 0.47 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1a7a h VAL 224 CO -0.48 0.41 -0.15 1.23 0.02 0.00 0.00 177.57 178.61 1a7a h GLY 225 N 0.99 -0.43 -0.06 2.17 0.00 -1.41 -1.62 103.07 102.72 1a7a h GLY 225 Ca 0.17 0.16 0.18 0.00 0.00 0.00 0.00 47.33 47.84 1a7a h GLY 225 CO 0.03 -0.16 0.34 0.50 0.00 0.00 0.00 176.54 177.25 1a7a h LYS 226 N -0.54 0.40 0.10 4.80 1.57 -0.50 0.11 116.57 122.50 1a7a h LYS 226 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a7a h LYS 226 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a7a h LYS 226 CO 0.07 0.26 -0.05 0.78 -0.57 0.00 0.00 179.45 179.95 1a7a h GLY 227 N 0.41 -0.14 0.81 3.86 0.00 -1.21 -2.32 103.07 104.48 1a7a h GLY 227 Ca 0.49 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.90 1a7a h GLY 227 CO -0.48 -0.05 0.05 0.00 0.00 0.00 0.00 176.54 176.05 1a7a h ALA 229 N 1.13 -0.38 -0.72 0.00 0.00 -0.83 -0.91 119.26 117.55 1a7a h ALA 229 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a7a h ALA 229 Cb 0.07 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a7a h ALA 229 CO -0.10 -0.76 0.45 0.37 0.00 0.00 0.00 179.25 179.20 1a7a h GLN 230 N -0.42 0.84 -0.16 0.00 4.15 -1.32 -1.70 115.11 116.49 1a7a h GLN 230 Ca 0.04 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1a7a h GLN 230 Cb 0.46 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1a7a h GLN 230 CO -0.15 0.55 0.01 0.00 -1.93 0.00 0.00 178.83 177.31 1a7a h ALA 231 N 1.31 0.15 0.72 3.38 0.00 -0.88 0.16 119.26 124.11 1a7a h ALA 231 Ca 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1a7a h ALA 231 Cb 0.04 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a7a h ALA 231 CO -0.12 -0.43 -0.36 -0.07 0.00 0.00 0.00 179.25 178.27 1a7a h LEU 232 N 0.07 -0.85 -1.80 0.00 3.38 -0.74 -2.54 115.31 112.82 1a7a h LEU 232 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1a7a h LEU 232 Cb 0.09 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1a7a h LEU 232 CO -0.12 -0.60 -0.15 0.08 0.09 0.00 0.00 178.44 177.74 1a7a h ARG 233 N -0.99 0.00 -0.96 1.13 0.11 -1.26 -0.38 114.38 112.04 1a7a h ARG 233 Ca -0.10 0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.24 1a7a h ARG 233 Cb 0.76 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 1a7a h ARG 233 CO 0.16 0.15 0.66 0.78 0.10 0.00 0.00 179.97 181.82 1a7a h GLY 234 N 0.61 0.44 -0.94 0.08 0.00 -0.25 0.38 103.07 103.39 1a7a h GLY 234 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1a7a h GLY 234 CO 0.02 -0.03 -0.02 0.69 0.00 0.00 0.00 176.54 177.21 1a7a n PHE 235 N -4.38 0.00 0.00 5.60 3.72 -0.16 -4.95 117.46 117.29 1a7a n PHE 235 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1a7a n PHE 235 Cb 0.92 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 1.24 1.27 3.93 1.37 0.00 0.13 -3.04 105.19 110.09 1a7a n GLY 236 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 3.95 -0.60 4.61 0.00 -1.17 0.63 121.76 127.18 1a7a s ALA 237 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1a7a s ALA 237 Cb 0.00 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.34 1a7a s ALA 237 CO 0.00 0.67 0.76 0.50 0.00 0.00 0.00 175.76 177.69 1a7a s ARG 238 N -2.84 3.07 -0.15 0.00 3.52 0.14 -4.06 118.95 118.63 1a7a s ARG 238 Ca 0.36 -1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 54.51 1a7a s ARG 238 Cb -0.12 -4.24 -0.01 0.00 -1.56 0.00 0.00 34.95 29.02 1a7a s ARG 238 CO 0.28 -1.58 1.07 0.08 -0.81 0.00 0.00 175.30 174.34 1a7a s VAL 239 N 3.01 4.62 -0.11 7.11 1.01 -1.26 -1.92 120.40 132.87 1a7a s VAL 239 Ca 0.14 1.92 -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 0.08 -0.07 -0.02 -0.63 0.00 0.00 0.00 175.10 174.46 1a7a s ILE 240 N 2.58 4.11 0.03 2.22 1.01 0.11 -3.83 121.20 127.43 1a7a s ILE 240 Ca 0.49 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.91 1a7a s ILE 240 Cb -0.18 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1a7a s ILE 240 CO 0.14 0.57 -0.24 -0.63 0.00 0.00 0.00 174.94 174.78 1a7a s ILE 241 N -0.48 1.95 0.04 2.92 1.01 0.08 -0.38 121.20 126.35 1a7a s ILE 241 Ca 0.08 -1.25 0.08 0.00 0.00 0.00 0.00 60.65 59.56 1a7a s ILE 241 Cb -0.12 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1a7a s ILE 241 CO 0.02 0.37 -0.22 0.42 0.00 0.00 0.00 174.94 175.53 1a7a s THR 242 N -0.74 2.50 0.11 2.92 -4.23 -0.95 -0.37 115.64 114.88 1a7a s THR 242 Ca 0.10 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 1a7a s THR 242 Cb -0.09 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.78 1a7a s THR 242 CO 0.01 0.35 0.51 -1.61 -0.54 0.00 0.00 174.62 173.34 1a7a s GLU 243 N -1.34 1.12 -0.00 3.99 0.41 -1.26 0.32 118.70 121.94 1a7a s GLU 243 Ca 0.13 -0.46 0.07 0.00 -0.41 0.00 0.00 54.97 54.30 1a7a s GLU 243 Cb -0.10 0.51 -0.08 0.00 -1.78 0.00 0.00 34.13 32.67 1a7a s GLU 243 CO 0.04 -0.45 0.23 0.44 -0.49 0.00 0.00 175.26 175.03 1a7a n ILE 244 N -0.05 0.00 -3.65 -1.63 -5.35 -1.26 -4.97 119.36 102.46 1a7a n ILE 244 Ca -0.17 -0.27 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 1a7a n ILE 244 Cb 0.63 0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 39.18 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 -2.05 5.95 0.17 7.28 -1.08 -1.26 -5.01 116.67 120.67 1a7a s ASP 245 Ca 0.01 0.02 -0.19 0.00 -0.52 0.00 0.00 52.55 51.87 1a7a s ASP 245 Cb 0.05 -2.09 0.10 0.00 -1.46 0.00 0.00 42.92 39.52 1a7a s ASP 245 CO 0.27 0.00 1.64 -0.65 0.52 0.00 0.00 175.17 176.95 1a7a h PRO 246 N 8.00 -0.10 0.70 4.34 0.11 -1.98 0.69 132.00 143.76 1a7a h PRO 246 Ca -0.36 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1a7a h PRO 246 Cb 1.18 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1a7a h PRO 246 CO 0.60 -0.07 -0.50 0.82 -0.21 0.00 0.00 178.00 178.63 1a7a h ILE 247 N -0.11 0.01 -0.89 4.15 2.04 -1.98 0.79 117.51 121.52 1a7a h ILE 247 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.21 1a7a h ILE 247 Cb 0.41 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 1a7a h ILE 247 CO -0.47 0.00 0.48 0.78 0.00 0.00 0.00 178.15 178.94 1a7a h ASN 248 N -1.15 0.60 -0.05 1.72 2.35 -1.85 0.87 115.58 118.08 1a7a h ASN 248 Ca -0.09 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a7a h ASN 248 Cb 0.95 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 1a7a h ASN 248 CO 0.05 0.25 0.03 0.00 -1.65 0.00 0.00 177.43 176.11 1a7a h ALA 249 N 1.57 0.06 -0.77 -0.83 0.00 -0.24 -1.37 119.26 117.67 1a7a h ALA 249 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1a7a h ALA 249 Cb 0.68 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1a7a h ALA 249 CO -0.36 -0.41 0.49 1.25 0.00 0.00 0.00 179.25 180.22 1a7a h LEU 250 N 0.01 0.91 0.07 0.00 5.85 0.19 -2.09 115.31 120.24 1a7a h LEU 250 Ca 0.02 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1a7a h LEU 250 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1a7a h LEU 250 CO -0.00 0.68 -0.18 1.56 -0.34 0.00 0.00 178.44 180.16 1a7a h GLN 251 N 1.05 -0.32 -0.24 1.25 4.20 -0.57 -2.62 115.11 117.87 1a7a h GLN 251 Ca 0.28 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1a7a h GLN 251 Cb -0.09 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1a7a h GLN 251 CO -0.06 -0.21 -0.48 0.00 -0.67 0.00 0.00 178.83 177.41 1a7a h ALA 252 N 0.53 -0.78 0.00 3.87 0.00 -0.83 -0.11 119.26 121.94 1a7a h ALA 252 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a7a h ALA 252 Cb 0.36 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1a7a h ALA 252 CO -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.15 1a7a n ALA 253 N -2.99 0.72 0.00 0.00 0.00 -0.83 -1.97 120.51 115.44 1a7a n ALA 253 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1a7a n ALA 253 Cb 0.31 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.77 0.00 -0.17 0.00 -0.58 -0.06 -4.21 120.64 116.38 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 0.69 3.83 0.62 0.00 -0.83 -5.08 105.19 104.42 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 -2.24 3.71 -0.00 1.61 2.02 -1.06 -5.04 117.35 116.36 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 1.19 -2.00 -1.57 0.00 0.00 175.55 173.74 1a7a s GLU 258 N -1.36 4.40 -0.21 -0.62 2.12 -1.25 -3.69 118.70 118.09 1a7a s GLU 258 Ca 0.29 1.70 -0.05 0.00 0.36 0.00 0.00 54.97 57.27 1a7a s GLU 258 Cb -0.17 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1a7a s GLU 258 CO 0.17 -0.34 0.01 0.08 -0.54 0.00 0.00 175.26 174.64 1a7a s VAL 259 N 1.64 3.94 0.00 3.70 1.01 -1.26 -0.74 120.40 128.70 1a7a s VAL 259 Ca 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1a7a s VAL 259 Cb -0.27 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1a7a s VAL 259 CO 0.26 0.41 0.00 0.41 0.00 0.00 0.00 175.10 176.18 1a7a n THR 260 N 4.43 0.00 0.00 3.92 -1.04 0.50 -4.96 114.28 117.12 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 -4.01 114.28 119.34 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 -0.02 3.42 8.00 -1.26 -1.54 116.55 125.15 1a7a n ASP 263 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1a7a n ASP 263 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.06 0.00 -1.24 4.39 -2.02 -3.36 114.58 112.28 1a7a h GLU 264 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a7a h GLU 264 Cb 0.00 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1a7a h GLU 264 CO 0.00 0.15 -0.01 0.00 -1.16 0.00 0.00 179.01 177.99 1a7a h ALA 265 N -0.80 1.47 0.00 3.43 0.00 -1.66 -2.20 119.26 119.50 1a7a h ALA 265 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a7a h ALA 265 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a7a h ALA 265 CO 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 179.25 179.26 1a7a n GLN 267 N -3.38 1.15 -0.00 0.00 6.02 -0.83 -4.32 117.38 116.01 1a7a n GLN 267 Ca -0.02 -0.58 -0.01 0.00 -0.01 0.00 0.00 57.00 56.38 1a7a n GLN 267 Cb 0.12 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -0.42 1.61 -1.74 -1.09 1.02 -0.05 -4.74 120.64 115.24 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 0.32 -1.02 0.02 0.00 -0.02 0.00 0.00 31.44 30.73 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 3.25 0.86 0.00 0.62 0.00 -0.57 -4.69 105.19 104.66 1a7a n GLY 269 Ca -0.02 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.07 1.91 -3.81 1.61 3.02 0.19 -4.24 115.26 113.87 1a7a n ASN 270 Ca 0.06 -0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.30 1a7a n ASN 270 Cb 0.41 1.41 -0.14 0.00 -0.61 0.00 0.00 39.78 40.85 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 -2.64 -0.02 -0.05 2.41 1.01 -1.09 -0.22 121.20 120.60 1a7a s ILE 271 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1a7a s ILE 271 Cb 0.08 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.41 1a7a s ILE 271 CO 0.48 0.03 -0.12 -0.36 0.00 0.00 0.00 174.94 174.97 1a7a s PHE 272 N 0.40 1.39 -0.10 3.97 0.40 0.21 0.11 117.98 124.36 1a7a s PHE 272 Ca -0.03 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1a7a s PHE 272 Cb -0.04 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.52 1a7a s PHE 272 CO -0.02 -0.22 -0.02 0.08 0.70 0.00 0.00 175.22 175.74 1a7a s VAL 273 N 0.49 0.66 -0.26 -0.44 1.01 0.30 -1.09 120.40 121.07 1a7a s VAL 273 Ca -0.11 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1a7a s VAL 273 Cb -0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1a7a s VAL 273 CO 0.03 0.24 0.34 0.42 0.00 0.00 0.00 175.10 176.13 1a7a s THR 274 N 1.85 5.21 -0.32 3.92 -4.23 -1.02 -1.13 115.64 119.92 1a7a s THR 274 Ca 0.04 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1a7a s THR 274 Cb -0.13 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.13 1a7a s THR 274 CO -0.07 0.20 0.99 0.35 -0.54 0.00 0.00 174.62 175.55 1a7a n THR 275 N 4.93 0.82 -0.85 3.99 -2.24 -0.06 -1.63 114.28 119.23 1a7a n THR 275 Ca -0.09 -0.91 -0.29 0.00 -2.27 0.00 0.00 64.05 60.49 1a7a n THR 275 Cb 0.51 0.61 0.23 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.87 1.87 -0.26 4.28 2.01 -1.07 -4.72 115.64 116.89 1a7a s THR 276 Ca 0.07 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.17 1a7a s THR 276 Cb 0.04 -2.30 0.23 0.00 0.01 0.00 0.00 72.50 70.48 1a7a s THR 276 CO 0.05 0.00 1.17 0.61 -0.69 0.00 0.00 174.62 175.76 1a7a n GLY 277 N -0.15 3.66 3.40 4.40 0.00 -1.26 -4.56 105.19 110.68 1a7a n GLY 277 Ca 0.06 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.49 3.52 -0.93 0.00 -4.36 -1.26 -4.16 121.20 110.52 1a7a s ILE 279 Ca 0.35 0.75 -0.05 0.00 -0.26 0.00 0.00 60.65 61.45 1a7a s ILE 279 Cb 0.07 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.45 1a7a s ILE 279 CO 0.15 -0.39 0.81 0.47 0.24 0.00 0.00 174.94 176.22 1a7a n ASP 280 N -2.01 -5.96 -0.13 4.36 8.00 -1.19 -4.96 116.55 114.67 1a7a n ASP 280 Ca 0.10 -0.62 -0.23 0.00 0.71 0.00 0.00 54.79 54.74 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 -3.05 1.52 -3.98 0.53 2.08 -0.27 -4.87 119.36 111.31 1a7a n ILE 281 Ca -0.07 -0.49 -0.31 0.00 0.56 0.00 0.00 62.75 62.45 1a7a n ILE 281 Cb 0.61 -1.63 -0.15 0.00 -0.75 0.00 0.00 39.64 37.71 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 -2.51 1.80 0.38 1.39 1.01 -0.87 -4.99 121.20 117.41 1a7a s ILE 282 Ca -0.36 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 58.85 1a7a s ILE 282 Cb 0.11 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.58 1a7a s ILE 282 CO 0.56 -0.14 0.30 0.18 0.00 0.00 0.00 174.94 175.84 1a7a n LEU 283 N 4.56 0.00 -0.31 2.97 7.99 -1.26 -1.75 117.00 129.20 1a7a n LEU 283 Ca -0.11 -1.97 0.01 0.00 -0.01 0.00 0.00 56.01 53.93 1a7a n LEU 283 Cb 0.43 -0.04 0.15 0.00 -0.11 0.00 0.00 43.42 43.85 1a7a n LEU 283 CO 0.19 -0.49 1.19 1.23 -1.51 0.00 0.00 177.39 178.00 1a7a h GLY 284 N 0.43 1.32 -0.16 -0.72 0.00 -1.97 0.18 103.07 102.16 1a7a h GLY 284 Ca -0.24 -0.38 0.19 0.00 0.00 0.00 0.00 47.33 46.90 1a7a h GLY 284 CO 0.37 0.24 0.27 3.21 0.00 0.00 0.00 176.54 180.64 1a7a h ARG 285 N 0.96 0.32 0.12 4.80 3.08 -2.00 -0.98 114.38 120.67 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 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1a7a h ARG 285 CO -0.19 0.21 -0.06 0.45 -1.07 0.00 0.00 179.97 179.31 1a7a h HIS 286 N 0.33 -0.15 -0.75 3.04 3.86 -1.53 -3.29 115.15 116.65 1a7a h HIS 286 Ca 0.49 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.87 1a7a h HIS 286 Cb 0.89 0.05 -0.12 0.00 1.06 0.00 0.00 27.41 29.28 1a7a h HIS 286 CO -0.21 0.33 0.10 0.74 0.86 0.00 0.00 177.93 179.76 1a7a h PHE 287 N -0.85 0.13 0.00 2.45 0.04 -0.25 -0.98 116.94 117.48 1a7a h PHE 287 Ca -0.02 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1a7a h PHE 287 Cb 0.55 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 1a7a h PHE 287 CO 0.10 -0.17 -0.03 0.93 -0.60 0.00 0.00 178.31 178.54 1a7a h GLU 288 N 0.18 0.00 -2.86 1.51 5.08 -1.28 -3.46 114.58 113.74 1a7a h GLU 288 Ca 0.43 0.00 -0.81 0.00 -1.00 0.00 0.00 59.36 57.98 1a7a h GLU 288 Cb 0.76 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.74 1a7a h GLU 288 CO -0.59 0.03 0.85 1.04 -1.00 0.00 0.00 179.01 179.34 1a7a n GLN 289 N -3.51 4.57 -4.27 2.33 6.02 -0.37 -5.03 117.38 117.12 1a7a n GLN 289 Ca -0.02 -4.54 -0.23 0.00 -0.01 0.00 0.00 57.00 52.19 1a7a n GLN 289 Cb 0.13 -2.52 -0.07 0.00 1.02 0.00 0.00 30.24 28.81 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 -2.88 2.36 0.35 -1.09 1.02 -1.26 -4.48 119.74 113.75 1a7a s LYS 291 Ca 0.32 -1.37 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 1a7a s LYS 291 Cb 0.06 -2.21 -0.13 0.00 -0.52 0.00 0.00 37.83 35.04 1a7a s LYS 291 CO 0.08 0.37 1.01 -3.47 -0.92 0.00 0.00 175.35 172.43 1a7a n ASP 292 N -0.90 1.33 -2.25 2.83 2.03 -1.26 -2.15 116.55 116.18 1a7a n ASP 292 Ca -0.07 1.12 -0.13 0.00 0.52 0.00 0.00 54.79 56.23 1a7a n ASP 292 Cb 0.59 -1.32 -0.02 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 0.94 -4.01 -4.78 1.67 8.00 0.81 -4.90 116.55 114.28 1a7a n ASP 293 Ca 0.09 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.38 1a7a n ASP 293 Cb 0.35 -3.45 -0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.57 3.54 -0.28 2.24 0.00 -0.91 -4.60 121.76 119.19 1a7a s ALA 294 Ca 0.00 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1a7a s ALA 294 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1a7a s ALA 294 CO 0.00 -1.02 0.19 0.42 0.00 0.00 0.00 175.76 175.35 1a7a s ILE 295 N -1.13 5.29 -0.14 0.00 1.01 0.70 -1.90 121.20 125.03 1a7a s ILE 295 Ca 0.53 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1a7a s ILE 295 Cb -0.46 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1a7a s ILE 295 CO 0.62 0.25 -0.07 -0.69 0.00 0.00 0.00 174.94 175.05 1a7a s VAL 296 N 1.76 3.65 0.14 2.92 1.01 -0.31 0.66 120.40 130.22 1a7a s VAL 296 Ca 0.07 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1a7a s VAL 296 Cb -0.16 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1a7a s VAL 296 CO 0.11 0.51 0.45 0.00 0.00 0.00 0.00 175.10 176.17 1a7a s ASN 298 N -2.80 2.90 0.00 0.00 2.47 -1.26 -2.42 114.94 113.82 1a7a s ASN 298 Ca 0.03 -0.91 0.00 0.00 0.42 0.00 0.00 52.86 52.41 1a7a s ASN 298 Cb 0.01 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.62 1a7a s ASN 298 CO -0.11 -0.02 0.32 0.00 -3.72 0.00 0.00 177.10 173.57 1a7a n ILE 299 N 0.07 0.08 -1.33 -5.21 3.06 -0.64 -0.28 119.36 115.11 1a7a n ILE 299 Ca -0.11 -0.12 -0.31 0.00 -2.50 0.00 0.00 62.75 59.71 1a7a n ILE 299 Cb 0.58 1.39 0.10 0.00 0.54 0.00 0.00 39.64 42.25 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 -0.08 1.65 0.08 4.50 0.00 -1.20 -4.82 107.32 107.46 1a7a s GLY 300 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 44.72 44.49 1a7a s GLY 300 CO 0.00 0.48 1.63 0.84 0.00 0.00 0.00 173.10 176.05 1a7a h HIS 301 N -1.16 -0.84 -3.29 1.90 2.76 -1.96 -3.35 115.15 109.20 1a7a h HIS 301 Ca -0.46 -0.01 -0.56 0.00 -2.20 0.00 0.00 60.37 57.14 1a7a h HIS 301 Cb 1.25 0.30 -0.04 0.00 1.55 0.00 0.00 27.41 30.46 1a7a h HIS 301 CO 0.53 -0.49 -0.10 -0.06 -1.30 0.00 0.00 177.93 176.50 1a7a s PHE 302 N -6.05 3.61 -1.35 5.26 0.08 -1.26 -4.57 117.98 113.71 1a7a s PHE 302 Ca -0.17 1.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.77 1a7a s PHE 302 Cb 0.04 -2.35 0.09 0.00 -0.57 0.00 0.00 43.02 40.23 1a7a s PHE 302 CO 0.63 0.45 1.92 -0.40 -0.10 0.00 0.00 175.22 177.72 1a7a n ASP 303 N 0.86 4.57 0.00 1.36 5.68 -1.26 -4.35 116.55 123.40 1a7a n ASP 303 Ca -0.06 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1a7a n ASP 303 Cb 0.52 -1.65 0.00 0.00 -1.14 0.00 0.00 41.12 38.85 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 5.17 0.05 0.10 2.12 0.24 -1.26 -4.82 118.33 119.92 1a7a n VAL 304 Ca 0.47 -0.15 0.06 0.00 -2.04 0.00 0.00 64.34 62.68 1a7a n VAL 304 Cb 0.41 1.59 -0.01 0.00 -1.47 0.00 0.00 33.84 34.36 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 -5.09 7.34 5.08 -1.76 -3.15 114.58 117.00 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 0.46 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.40 1a7a h GLU 305 CO 0.00 0.18 -0.79 0.42 -1.00 0.00 0.00 179.01 177.82 1a7a s ILE 306 N -3.13 2.78 -1.10 3.13 1.01 -1.26 -1.12 121.20 121.52 1a7a s ILE 306 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 1a7a s ILE 306 Cb 0.08 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 1a7a s ILE 306 CO 0.78 0.49 1.94 -0.67 0.00 0.00 0.00 174.94 177.48 1a7a n ASP 307 N 4.45 3.32 -0.15 3.58 2.03 -0.71 -4.71 116.55 124.35 1a7a n ASP 307 Ca -0.19 -2.75 -0.04 0.00 0.52 0.00 0.00 54.79 52.32 1a7a n ASP 307 Cb 0.51 -1.51 0.05 0.00 -0.72 0.00 0.00 41.12 39.45 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 5.12 0.89 -1.04 5.18 2.07 -1.92 -2.43 116.25 124.11 1a7a h VAL 308 Ca 0.39 -0.13 0.28 0.00 0.82 0.00 0.00 66.70 68.06 1a7a h VAL 308 Cb 0.78 0.48 -0.12 0.00 -1.52 0.00 0.00 31.29 30.91 1a7a h VAL 308 CO 1.63 0.07 0.64 0.11 0.02 0.00 0.00 177.57 180.04 1a7a h LYS 309 N 0.38 0.41 -0.26 1.57 1.57 -1.98 0.81 116.57 119.08 1a7a h LYS 309 Ca 0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1a7a h LYS 309 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1a7a h LYS 309 CO -0.19 0.27 0.16 2.35 -0.57 0.00 0.00 179.45 181.47 1a7a h TRP 310 N 0.43 0.33 -0.09 -1.35 7.01 -1.83 0.20 115.95 120.65 1a7a h TRP 310 Ca 0.66 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.59 1a7a h TRP 310 Cb 1.52 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1a7a h TRP 310 CO -0.01 0.22 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.55 1a7a h LEU 311 N 0.35 0.37 -1.28 0.65 3.38 0.56 -0.84 115.31 118.51 1a7a h LEU 311 Ca 0.09 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1a7a h LEU 311 Cb -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1a7a h LEU 311 CO -0.02 0.90 0.22 0.78 0.09 0.00 0.00 178.44 180.42 1a7a h ASN 312 N -0.15 0.65 0.36 -0.43 2.35 -0.89 -1.47 115.58 115.99 1a7a h ASN 312 Ca -0.01 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1a7a h ASN 312 Cb 0.86 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1a7a h ASN 312 CO 0.05 0.57 -0.17 -0.62 -1.65 0.00 0.00 177.43 175.62 1a7a n GLU 313 N -4.36 0.67 0.00 0.81 1.02 0.67 -4.29 120.64 115.16 1a7a n GLU 313 Ca 0.04 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1a7a n GLU 313 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.91 0.26 -4.79 1.62 3.02 -0.33 -5.04 115.26 109.09 1a7a n ASN 314 Ca 0.13 -1.05 -0.39 0.00 -0.03 0.00 0.00 54.58 53.24 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 -0.05 3.53 -0.06 5.41 0.00 -0.58 -4.30 121.76 125.71 1a7a s ALA 315 Ca 0.00 0.09 0.30 0.00 0.00 0.00 0.00 51.96 52.36 1a7a s ALA 315 Cb 0.00 -2.73 1.06 0.00 0.00 0.00 0.00 23.12 21.45 1a7a s ALA 315 CO 0.00 0.30 1.87 0.28 0.00 0.00 0.00 175.76 178.21 1a7a h VAL 316 N 3.71 0.00 -3.54 0.00 2.07 -0.82 -3.46 116.25 114.21 1a7a h VAL 316 Ca -0.48 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1a7a h VAL 316 Cb 1.21 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 32.51 1a7a h VAL 316 CO 0.66 0.00 -0.12 -1.61 0.02 0.00 0.00 177.57 176.52 1a7a s GLU 317 N -3.53 1.25 -0.46 1.57 2.02 -1.11 -4.96 118.70 113.47 1a7a s GLU 317 Ca 0.03 -0.97 0.06 0.00 0.02 0.00 0.00 54.97 54.11 1a7a s GLU 317 Cb 0.08 0.46 0.18 0.00 0.10 0.00 0.00 34.13 34.94 1a7a s GLU 317 CO 0.58 -0.50 0.55 0.21 0.02 0.00 0.00 175.26 176.12 1a7a s LYS 318 N -3.90 0.97 -0.07 1.61 2.20 -1.26 -2.81 119.74 116.47 1a7a s LYS 318 Ca 0.11 -1.40 -0.22 0.00 -0.36 0.00 0.00 55.97 54.10 1a7a s LYS 318 Cb 0.01 -0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 1a7a s LYS 318 CO -0.03 -1.34 0.66 0.14 -0.36 0.00 0.00 175.35 174.43 1a7a s VAL 319 N 0.66 5.06 -0.46 4.02 -7.23 -0.57 -4.88 120.40 117.00 1a7a s VAL 319 Ca 0.29 1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 61.64 1a7a s VAL 319 Cb -0.00 -4.00 0.04 0.00 0.56 0.00 0.00 36.38 32.98 1a7a s VAL 319 CO -0.10 0.27 0.53 0.21 -0.31 0.00 0.00 175.10 175.70 1a7a s ASN 320 N 0.72 6.22 0.15 4.85 3.84 -1.26 0.48 114.94 129.93 1a7a s ASN 320 Ca 0.35 -0.79 -0.12 0.00 0.21 0.00 0.00 52.86 52.51 1a7a s ASN 320 Cb -0.17 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.28 1a7a s ASN 320 CO 0.17 -0.74 1.58 0.40 -2.79 0.00 0.00 177.10 175.72 1a7a h ILE 321 N 5.80 1.27 -1.95 -5.21 5.03 -1.47 -3.48 117.51 117.51 1a7a h ILE 321 Ca -0.27 -1.18 0.25 0.00 -0.12 0.00 0.00 64.86 63.54 1a7a h ILE 321 Cb 1.10 1.04 -0.10 0.00 -3.03 0.00 0.00 36.82 35.84 1a7a h ILE 321 CO 0.88 0.41 0.65 -1.59 -0.68 0.00 0.00 178.15 177.82 1a7a s LYS 322 N -4.89 0.84 0.16 2.37 -2.85 -1.19 -5.04 119.74 109.13 1a7a s LYS 322 Ca -0.12 -0.47 -0.34 0.00 -1.00 0.00 0.00 55.97 54.04 1a7a s LYS 322 Cb 0.12 0.28 -0.15 0.00 -2.06 0.00 0.00 37.83 36.02 1a7a s LYS 322 CO 0.84 -0.38 1.36 -2.30 0.10 0.00 0.00 175.35 174.96 1a7a n PRO 323 N -0.49 1.54 -1.44 1.78 -0.02 -1.26 -0.90 135.00 134.20 1a7a n PRO 323 Ca -0.07 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1a7a n PRO 323 Cb 0.62 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.40 -1.00 -3.60 -0.52 3.00 -1.26 -4.95 117.38 111.46 1a7a n GLN 324 Ca 0.16 0.99 -0.26 0.00 -0.01 0.00 0.00 57.00 57.87 1a7a n GLN 324 Cb 0.25 -5.10 -0.17 0.00 0.00 0.00 0.00 30.24 25.22 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 -2.54 -0.09 -0.08 5.09 1.01 -0.08 -0.27 120.40 123.45 1a7a s VAL 325 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1a7a s VAL 325 Cb 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1a7a s VAL 325 CO 0.00 -0.36 -0.23 -1.81 0.00 0.00 0.00 175.10 172.70 1a7a s ASP 326 N 2.14 2.87 -0.33 3.32 1.11 -0.73 -1.08 116.67 123.97 1a7a s ASP 326 Ca 0.03 -0.50 -0.08 0.00 0.18 0.00 0.00 52.55 52.19 1a7a s ASP 326 Cb -0.16 -1.07 0.03 0.00 1.07 0.00 0.00 42.92 42.79 1a7a s ASP 326 CO -0.14 0.18 0.12 -0.60 1.18 0.00 0.00 175.17 175.91 1a7a s ARG 327 N 0.15 2.84 0.34 8.23 3.52 0.18 -1.03 118.95 133.19 1a7a s ARG 327 Ca -0.11 -1.04 -0.05 0.00 -0.13 0.00 0.00 55.73 54.40 1a7a s ARG 327 Cb -0.16 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1a7a s ARG 327 CO 0.06 -0.60 0.62 0.71 -0.81 0.00 0.00 175.30 175.28 1a7a s TYR 328 N 1.48 3.49 -0.25 5.12 1.51 0.14 -1.51 117.35 127.34 1a7a s TYR 328 Ca 0.01 0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1a7a s TYR 328 Cb -0.19 -2.15 0.07 0.00 -0.11 0.00 0.00 41.96 39.59 1a7a s TYR 328 CO 0.04 0.06 0.01 0.50 -1.11 0.00 0.00 175.55 175.05 1a7a s ARG 329 N -3.90 1.17 1.00 -0.62 3.52 -1.13 -0.33 118.95 118.67 1a7a s ARG 329 Ca 0.45 -0.94 -0.14 0.00 -0.13 0.00 0.00 55.73 54.97 1a7a s ARG 329 Cb -0.10 -2.39 0.19 0.00 -1.56 0.00 0.00 34.95 31.09 1a7a s ARG 329 CO 0.33 -0.72 1.14 -0.51 -0.81 0.00 0.00 175.30 174.73 1a7a s LEU 330 N 1.52 1.67 0.50 -0.88 1.43 -0.29 -0.18 118.68 122.47 1a7a s LEU 330 Ca 0.00 0.89 0.16 0.00 -1.03 0.00 0.00 54.13 54.15 1a7a s LEU 330 Cb -0.18 -3.02 1.22 0.00 0.03 0.00 0.00 46.19 44.24 1a7a s LEU 330 CO -0.11 -3.07 2.12 0.11 0.23 0.00 0.00 176.35 175.63 1a7a h LYS 331 N -1.85 0.00 0.00 1.70 1.57 -1.88 -0.62 116.57 115.48 1a7a h LYS 331 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1a7a h LYS 331 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1a7a h LYS 331 CO 0.53 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.72 1a7a n ASN 332 N -4.48 0.00 0.00 0.86 0.23 -1.26 -4.86 115.26 105.75 1a7a n ASN 332 Ca -0.03 -0.41 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 1a7a n ASN 332 Cb 0.12 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 0.13 2.95 3.78 4.83 0.00 -0.24 -5.04 105.19 111.60 1a7a n GLY 333 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.14 2.42 0.26 1.61 0.52 -1.26 -4.69 118.95 117.67 1a7a s ARG 334 Ca 0.00 1.09 0.09 0.00 -0.52 0.00 0.00 55.73 56.40 1a7a s ARG 334 Cb 0.00 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1a7a s ARG 334 CO 0.00 -1.51 0.02 1.03 0.02 0.00 0.00 175.30 174.86 1a7a s ARG 335 N -4.95 2.36 -0.03 3.54 0.52 -1.26 -1.13 118.95 118.00 1a7a s ARG 335 Ca 0.60 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1a7a s ARG 335 Cb -0.16 -2.21 0.03 0.00 0.52 0.00 0.00 34.95 33.13 1a7a s ARG 335 CO 0.56 0.37 0.06 0.42 0.02 0.00 0.00 175.30 176.72 1a7a s ILE 336 N -2.30 -0.06 -0.35 1.52 1.01 0.55 -0.14 121.20 121.43 1a7a s ILE 336 Ca 0.32 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 1a7a s ILE 336 Cb -0.07 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 1a7a s ILE 336 CO 0.20 0.09 0.25 -0.63 0.00 0.00 0.00 174.94 174.85 1a7a s ILE 337 N 1.13 5.28 -0.13 2.92 1.01 -0.80 0.28 121.20 130.89 1a7a s ILE 337 Ca -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1a7a s ILE 337 Cb -0.13 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1a7a s ILE 337 CO -0.04 -0.04 -0.00 -0.22 0.00 0.00 0.00 174.94 174.64 1a7a s LEU 338 N 1.72 3.48 -0.07 2.97 1.98 -0.20 -1.16 118.68 127.40 1a7a s LEU 338 Ca 0.06 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.33 1a7a s LEU 338 Cb -0.18 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 1a7a s LEU 338 CO 0.10 0.27 -0.05 -0.76 -1.89 0.00 0.00 176.35 174.02 1a7a s LEU 339 N -0.21 3.26 -0.87 -0.68 1.43 -1.06 -1.77 118.68 118.79 1a7a s LEU 339 Ca 0.05 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1a7a s LEU 339 Cb -0.13 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1a7a s LEU 339 CO 0.02 0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.97 1a7a n ALA 340 N 2.20 -0.38 -3.22 4.21 0.00 0.62 -1.78 120.51 122.17 1a7a n ALA 340 Ca -0.18 0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1a7a n ALA 340 Cb 0.53 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.97 -4.56 -0.06 0.00 1.02 -1.26 -1.21 120.64 112.60 1a7a n GLU 341 Ca -0.09 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1a7a n GLU 341 Cb 0.39 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 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 -1.43 1.54 3.78 0.62 0.00 -0.73 -4.94 105.19 104.02 1a7a n GLY 342 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 4.57 -0.37 1.61 0.52 -0.35 -4.42 118.95 120.06 1a7a s ARG 343 Ca 0.00 1.19 -0.19 0.00 -0.52 0.00 0.00 55.73 56.21 1a7a s ARG 343 Cb 0.00 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 1a7a s ARG 343 CO 0.00 0.50 1.20 1.47 0.02 0.00 0.00 175.30 178.49 1a7a n LEU 344 N 1.33 0.26 -0.36 2.53 -0.00 -1.25 -4.65 117.00 114.86 1a7a n LEU 344 Ca -0.04 0.22 0.01 0.00 -0.00 0.00 0.00 56.01 56.20 1a7a n LEU 344 Cb 0.49 -0.45 0.15 0.00 -0.00 0.00 0.00 43.42 43.61 1a7a n LEU 344 CO 0.46 -0.37 1.26 1.62 -0.00 0.00 0.00 177.39 180.36 1a7a h VAL 345 N 3.71 1.12 -0.73 1.47 3.04 -0.97 -0.72 116.25 123.17 1a7a h VAL 345 Ca -0.04 -0.40 0.07 0.00 -1.01 0.00 0.00 66.70 65.32 1a7a h VAL 345 Cb 0.68 -0.16 -0.06 0.00 -2.01 0.00 0.00 31.29 29.73 1a7a h VAL 345 CO 0.61 0.22 0.41 -0.55 -1.01 0.00 0.00 177.57 177.25 1a7a h ASN 346 N 1.18 0.60 0.18 3.17 -0.00 -1.83 0.51 115.58 119.39 1a7a h ASN 346 Ca 0.40 0.04 -0.31 0.00 -0.00 0.00 0.00 56.30 56.43 1a7a h ASN 346 Cb 0.09 -0.08 0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1a7a h ASN 346 CO -0.15 0.37 -1.49 -0.07 -0.00 0.00 0.00 177.43 176.09 1a7a h LEU 347 N 0.73 0.61 -0.65 6.14 3.38 -1.82 -0.96 115.31 122.73 1a7a h LEU 347 Ca 0.34 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 1a7a h LEU 347 Cb 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1a7a h LEU 347 CO -0.21 1.69 0.10 1.23 0.09 0.00 0.00 178.44 181.33 1a7a h GLY 348 N 0.27 1.17 -1.13 0.83 0.00 -0.89 -3.28 103.07 100.04 1a7a h GLY 348 Ca -0.29 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.25 1a7a h GLY 348 CO 0.17 0.73 0.00 0.00 0.00 0.00 0.00 176.54 177.44 1a7a n ALA 350 N 0.70 0.46 -3.00 0.00 0.00 -0.88 -4.44 120.51 113.35 1a7a n ALA 350 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1a7a n ALA 350 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 5.53 3.79 0.00 0.00 -0.42 -4.73 105.19 109.36 1a7a n GLY 352 Ca 0.00 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 0.64 2.84 0.72 1.61 3.76 -1.26 -4.59 115.29 119.01 1a7a s HIS 353 Ca 0.00 1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 56.32 1a7a s HIS 353 Cb 0.00 -3.16 0.03 0.00 1.11 0.00 0.00 32.58 30.57 1a7a s HIS 353 CO 0.00 -1.22 1.17 -2.14 -0.85 0.00 0.00 174.74 171.69 1a7a s PRO 354 N -3.42 2.28 0.18 8.40 0.02 -1.26 -4.93 135.00 136.27 1a7a s PRO 354 Ca 0.69 1.60 -0.17 0.00 0.02 0.00 0.00 61.00 63.14 1a7a s PRO 354 Cb -0.20 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.59 1a7a s PRO 354 CO 0.26 -1.69 1.64 0.77 -0.33 0.00 0.00 177.00 177.65 1a7a h SER 355 N -0.33 -0.59 0.18 2.53 0.02 -1.94 -3.22 113.55 110.20 1a7a h SER 355 Ca -0.47 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1a7a h SER 355 Cb 1.28 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 64.12 1a7a h SER 355 CO 0.51 -0.20 -0.49 0.15 -1.14 0.00 0.00 176.83 175.65 1a7a h PHE 356 N -0.06 -1.42 0.00 3.45 3.57 -1.90 -2.46 116.94 118.13 1a7a h PHE 356 Ca 0.23 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1a7a h PHE 356 Cb 0.41 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1a7a h PHE 356 CO -0.44 -0.57 0.08 1.55 -2.23 0.00 0.00 178.31 176.69 1a7a n VAL 357 N -5.28 0.07 0.00 1.41 3.14 -1.22 -3.67 118.33 112.79 1a7a n VAL 357 Ca -0.09 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1a7a n VAL 357 Cb 0.39 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 2.15 0.00 0.28 6.55 2.88 -0.93 -3.18 113.62 121.37 1a7a n SER 359 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1a7a n SER 359 Cb 0.02 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.62 -0.50 -3.46 4.21 -1.88 0.45 115.58 113.79 1a7a h ASN 360 Ca 0.00 0.02 0.05 0.00 1.21 0.00 0.00 56.30 57.58 1a7a h ASN 360 Cb 0.00 0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 37.28 1a7a h ASN 360 CO 0.00 -0.40 -0.46 0.28 -1.29 0.00 0.00 177.43 175.56 1a7a h SER 361 N -0.80 -1.60 -0.25 5.81 0.02 -1.73 -1.11 113.55 113.89 1a7a h SER 361 Ca -0.07 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1a7a h SER 361 Cb 0.56 0.67 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1a7a h SER 361 CO 0.12 -0.28 0.17 -0.26 -1.14 0.00 0.00 176.83 175.45 1a7a h PHE 362 N -0.21 0.20 -0.79 3.45 0.04 -1.87 -1.36 116.94 116.39 1a7a h PHE 362 Ca 0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1a7a h PHE 362 Cb 0.43 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1a7a h PHE 362 CO -0.81 0.12 0.31 1.15 -0.60 0.00 0.00 178.31 178.47 1a7a h THR 363 N 0.21 1.26 -0.74 -1.55 2.02 0.38 0.15 112.91 114.63 1a7a h THR 363 Ca 0.11 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1a7a h THR 363 Cb 0.17 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1a7a h THR 363 CO -0.02 0.34 0.27 0.78 0.37 0.00 0.00 175.52 177.26 1a7a h ASN 364 N 1.16 1.04 -0.35 4.18 2.35 -0.77 -2.85 115.58 120.34 1a7a h ASN 364 Ca 0.26 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1a7a h ASN 364 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1a7a h ASN 364 CO -0.02 0.94 0.20 -0.61 -1.65 0.00 0.00 177.43 176.29 1a7a h GLN 365 N 1.09 0.49 -1.15 0.81 5.75 -0.29 0.79 115.11 122.60 1a7a h GLN 365 Ca 0.25 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1a7a h GLN 365 Cb 0.25 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1a7a h GLN 365 CO -0.02 0.39 0.00 0.28 -2.65 0.00 0.00 178.83 176.84 1a7a n VAL 366 N -4.78 0.14 0.00 2.39 0.31 0.42 -1.52 118.33 115.29 1a7a n VAL 366 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1a7a n VAL 366 Cb 0.07 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.68 0.00 -0.08 3.52 0.00 0.27 -1.10 120.51 123.80 1a7a n ALA 368 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1a7a n ALA 368 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.02 -0.64 0.00 1.08 -1.53 -1.36 115.11 112.64 1a7a h GLN 369 Ca 0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1a7a h GLN 369 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1a7a h GLN 369 CO 0.00 -0.01 0.34 0.82 -0.95 0.00 0.00 178.83 179.03 1a7a h ILE 370 N -0.02 0.95 0.64 2.54 2.04 -1.39 -0.96 117.51 121.31 1a7a h ILE 370 Ca 0.15 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1a7a h ILE 370 Cb 0.24 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1a7a h ILE 370 CO -0.32 0.12 -0.48 -0.33 0.00 0.00 0.00 178.15 177.13 1a7a h GLU 371 N 0.63 -1.03 -0.80 2.37 4.39 -1.61 0.11 114.58 118.64 1a7a h GLU 371 Ca 0.29 0.07 0.06 0.00 0.34 0.00 0.00 59.36 60.12 1a7a h GLU 371 Cb 0.20 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 1a7a h GLU 371 CO -0.19 -0.69 0.48 -0.07 -1.16 0.00 0.00 179.01 177.38 1a7a h LEU 372 N -1.07 0.74 -0.19 1.33 -0.00 -1.17 0.77 115.31 115.72 1a7a h LEU 372 Ca -0.08 0.02 -0.22 0.00 -0.00 0.00 0.00 57.88 57.59 1a7a h LEU 372 Cb 0.89 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1a7a h LEU 372 CO 0.03 0.47 -0.91 -0.25 -0.00 0.00 0.00 178.44 177.78 1a7a h TRP 373 N 0.87 0.68 0.00 1.13 2.91 -1.07 -3.14 115.95 117.34 1a7a h TRP 373 Ca 0.35 -0.36 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 1a7a h TRP 373 Cb 0.18 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 1a7a h TRP 373 CO -0.05 1.17 -1.46 2.41 -1.03 0.00 0.00 178.44 179.48 1a7a n THR 374 N -3.78 0.58 -3.12 2.65 -1.04 0.36 -4.55 114.28 105.37 1a7a n THR 374 Ca -0.07 -0.58 -0.21 0.00 -2.04 0.00 0.00 64.05 61.15 1a7a n THR 374 Cb 0.82 -0.31 -0.04 0.00 -1.82 0.00 0.00 70.33 68.97 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 -2.59 1.46 -0.02 -1.42 8.25 0.26 -4.94 115.22 116.21 1a7a n HIS 375 Ca -0.05 -3.87 -0.09 0.00 -0.26 0.00 0.00 57.72 53.45 1a7a n HIS 375 Cb 0.64 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 3.07 -0.06 0.00 -0.41 0.11 -1.69 -1.33 132.00 131.69 1a7a h PRO 376 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1a7a h PRO 376 Cb 0.81 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1a7a h PRO 376 CO 0.61 -0.04 0.02 -0.25 -0.21 0.00 0.00 178.00 178.13 1a7a n ASP 377 N -5.22 0.00 -0.48 -2.05 9.92 -1.26 -0.18 116.55 117.27 1a7a n ASP 377 Ca -0.03 0.08 0.09 0.00 -0.53 0.00 0.00 54.79 54.40 1a7a n ASP 377 Cb 0.14 -0.08 0.01 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.00 1.54 -3.68 -1.24 4.81 -0.50 -4.82 118.16 113.26 1a7a n LYS 378 Ca 0.00 -1.03 -0.30 0.00 -0.87 0.00 0.00 58.31 56.12 1a7a n LYS 378 Cb 0.02 -1.36 -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 -2.04 1.58 1.06 5.64 1.51 0.75 -5.13 117.35 120.72 1a7a s TYR 379 Ca 0.17 -1.88 -0.12 0.00 -1.01 0.00 0.00 57.07 54.23 1a7a s TYR 379 Cb 0.15 -1.62 0.22 0.00 -0.11 0.00 0.00 41.96 40.61 1a7a s TYR 379 CO 0.43 -0.84 1.07 -2.14 -1.11 0.00 0.00 175.55 172.96 1a7a s PRO 380 N 1.20 -0.08 0.18 -1.71 0.02 -1.26 -4.65 135.00 128.70 1a7a s PRO 380 Ca 0.13 0.90 -0.32 0.00 0.02 0.00 0.00 61.00 61.74 1a7a s PRO 380 Cb -0.20 -1.65 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 1a7a s PRO 380 CO -0.15 -3.18 1.73 0.08 -0.33 0.00 0.00 177.00 175.16 1a7a s VAL 381 N -2.64 2.22 -5.00 3.83 1.01 -1.26 -4.46 120.40 114.10 1a7a s VAL 381 Ca 0.67 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1a7a s VAL 381 Cb -0.23 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1a7a s VAL 381 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1a7a n GLY 382 N 4.02 -0.39 3.40 4.51 0.00 -1.26 -4.92 105.19 110.55 1a7a n GLY 382 Ca 0.16 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.54 3.39 0.41 1.61 0.11 -1.25 -0.61 120.40 122.51 1a7a s VAL 383 Ca 0.00 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1a7a s VAL 383 Cb 0.00 -2.46 -0.05 0.00 -1.53 0.00 0.00 36.38 32.33 1a7a s VAL 383 CO 0.00 0.50 0.04 -1.00 -3.33 0.00 0.00 175.10 171.31 1a7a s HIS 384 N 0.53 2.11 0.15 1.54 4.02 -0.21 -4.90 115.29 118.54 1a7a s HIS 384 Ca -0.06 -0.90 0.08 0.00 1.02 0.00 0.00 55.06 55.20 1a7a s HIS 384 Cb -0.15 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.58 29.85 1a7a s HIS 384 CO 0.03 0.18 -0.07 -0.06 1.02 0.00 0.00 174.74 175.84 1a7a s PHE 385 N -2.98 2.73 0.83 1.40 0.08 -1.26 0.85 117.98 119.63 1a7a s PHE 385 Ca 0.27 -0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 1a7a s PHE 385 Cb 0.07 -1.36 0.09 0.00 -0.57 0.00 0.00 43.02 41.25 1a7a s PHE 385 CO 0.13 0.48 1.10 -0.51 -0.10 0.00 0.00 175.22 176.33 1a7a s LEU 386 N -2.64 2.82 0.35 -0.37 1.02 -1.26 -4.95 118.68 113.65 1a7a s LEU 386 Ca 0.24 1.84 -0.27 0.00 0.02 0.00 0.00 54.13 55.96 1a7a s LEU 386 Cb -0.10 -4.41 -0.09 0.00 0.02 0.00 0.00 46.19 41.61 1a7a s LEU 386 CO 0.16 -2.40 1.22 -2.84 0.02 0.00 0.00 176.35 172.51 1a7a s PRO 387 N -4.85 4.26 0.40 1.29 0.02 -1.26 -4.88 135.00 129.99 1a7a s PRO 387 Ca 0.63 2.00 0.13 0.00 0.02 0.00 0.00 61.00 63.77 1a7a s PRO 387 Cb -0.19 -2.92 0.95 0.00 0.02 0.00 0.00 34.50 32.37 1a7a s PRO 387 CO 0.57 -0.19 1.92 -0.22 -0.33 0.00 0.00 177.00 178.75 1a7a h LYS 388 N 3.13 0.51 -0.28 5.54 3.64 -1.98 0.05 116.57 127.18 1a7a h LYS 388 Ca -0.48 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1a7a h LYS 388 Cb 1.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1a7a h LYS 388 CO 0.64 0.33 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.90 1a7a h LYS 389 N 0.52 0.43 -0.10 1.90 3.64 -1.97 0.57 116.57 121.55 1a7a h LYS 389 Ca 0.36 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1a7a h LYS 389 Cb 0.68 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1a7a h LYS 389 CO -0.13 0.49 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.75 1a7a h LEU 390 N 0.41 0.57 -0.40 5.20 3.38 -1.39 -2.26 115.31 120.82 1a7a h LEU 390 Ca 0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1a7a h LEU 390 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1a7a h LEU 390 CO 0.01 1.11 0.21 -0.78 0.09 0.00 0.00 178.44 179.09 1a7a h ASP 391 N 0.34 0.50 -0.75 -0.43 1.82 -0.42 -1.12 116.42 116.37 1a7a h ASP 391 Ca -0.03 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1a7a h ASP 391 Cb 1.29 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 41.14 1a7a h ASP 391 CO 0.13 0.45 0.35 -0.33 -1.61 0.00 0.00 179.24 178.24 1a7a h GLU 392 N 0.51 1.09 -0.16 0.28 5.08 -0.88 -2.40 114.58 118.10 1a7a h GLU 392 Ca 0.14 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1a7a h GLU 392 Cb 0.07 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1a7a h GLU 392 CO -0.02 0.85 -0.11 0.00 -1.00 0.00 0.00 179.01 178.73 1a7a h ALA 393 N 1.31 0.03 -0.55 3.43 0.00 -0.72 0.52 119.26 123.28 1a7a h ALA 393 Ca 0.26 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1a7a h ALA 393 Cb 0.12 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1a7a h ALA 393 CO -0.03 -0.54 -0.32 0.28 0.00 0.00 0.00 179.25 178.64 1a7a h VAL 394 N -0.10 0.20 -0.41 0.00 2.07 -0.72 0.68 116.25 117.97 1a7a h VAL 394 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1a7a h VAL 394 Cb 0.25 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1a7a h VAL 394 CO -0.23 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.62 1a7a h ALA 395 N 1.00 0.52 -0.96 1.67 0.00 -1.27 -2.57 119.26 117.65 1a7a h ALA 395 Ca 0.22 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1a7a h ALA 395 Cb 0.54 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1a7a h ALA 395 CO -0.64 -0.02 0.62 1.49 0.00 0.00 0.00 179.25 180.70 1a7a h GLU 396 N 0.55 1.01 0.00 0.00 4.81 0.62 -1.50 114.58 120.08 1a7a h GLU 396 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1a7a h GLU 396 Cb -0.04 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1a7a h GLU 396 CO -0.03 0.67 0.08 0.00 -0.73 0.00 0.00 179.01 179.00 1a7a h ALA 397 N 1.51 1.07 -0.32 2.92 0.00 -0.50 -1.70 119.26 122.23 1a7a h ALA 397 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1a7a h ALA 397 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a7a h ALA 397 CO -0.19 -0.07 0.00 0.72 0.00 0.00 0.00 179.25 179.71 1a7a n HIS 398 N -2.82 0.43 -0.02 0.00 8.25 -0.57 -4.51 115.22 115.99 1a7a n HIS 398 Ca -0.02 -0.35 -0.17 0.00 -0.26 0.00 0.00 57.72 56.91 1a7a n HIS 398 Cb 0.13 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 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 2.69 0.79 -0.35 2.41 4.07 -1.32 -3.24 115.31 120.36 1a7a h LEU 399 Ca 0.00 -0.65 0.05 0.00 0.08 0.00 0.00 57.88 57.35 1a7a h LEU 399 Cb 0.74 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 1a7a h LEU 399 CO 0.00 1.32 0.10 1.23 -1.08 0.00 0.00 178.44 180.01 1a7a h GLY 400 N 0.31 0.43 1.14 0.83 0.00 -1.80 -0.23 103.07 103.76 1a7a h GLY 400 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.33 1a7a h GLY 400 CO 0.14 0.01 0.34 1.70 0.00 0.00 0.00 176.54 178.72 1a7a h LYS 401 N 0.24 0.19 -0.38 4.80 1.63 -1.85 0.19 116.57 121.39 1a7a h LYS 401 Ca 0.16 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1a7a h LYS 401 Cb 0.16 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1a7a h LYS 401 CO -0.19 0.12 0.00 1.28 -3.45 0.00 0.00 179.45 177.22 1a7a n LEU 402 N -4.45 3.23 -3.79 5.20 4.77 -0.76 -4.95 117.00 116.25 1a7a n LEU 402 Ca 0.08 -1.41 -0.28 0.00 -0.03 0.00 0.00 56.01 54.38 1a7a n LEU 402 Cb 0.42 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1a7a n LEU 402 CO 0.35 0.70 0.16 -3.20 -1.33 0.00 0.00 177.39 174.08 1a7a n ASN 403 N 1.33 -5.36 -4.70 -1.43 2.85 0.68 -4.96 115.26 103.67 1a7a n ASN 403 Ca 0.19 -0.69 -0.40 0.00 -0.11 0.00 0.00 54.58 53.58 1a7a n ASN 403 Cb 0.57 -4.34 -0.05 0.00 1.24 0.00 0.00 39.78 37.19 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 5.02 -0.41 3.44 1.01 -0.46 -5.01 120.40 120.68 1a7a s VAL 404 Ca 0.62 1.42 -0.16 0.00 0.00 0.00 0.00 61.98 63.86 1a7a s VAL 404 Cb -0.30 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1a7a s VAL 404 CO 0.79 0.20 0.37 -0.54 0.00 0.00 0.00 175.10 175.92 1a7a s LYS 405 N 1.15 3.05 0.36 2.72 1.02 -1.26 -4.61 119.74 122.17 1a7a s LYS 405 Ca 0.36 -0.87 -0.21 0.00 0.02 0.00 0.00 55.97 55.27 1a7a s LYS 405 Cb -0.17 -3.97 -0.10 0.00 -0.52 0.00 0.00 37.83 33.07 1a7a s LYS 405 CO 0.16 -0.80 0.88 -1.17 -0.92 0.00 0.00 175.35 173.50 1a7a s LEU 406 N 1.93 4.12 -0.01 3.17 2.96 -1.26 -5.05 118.68 124.53 1a7a s LEU 406 Ca 0.09 1.61 -0.18 0.00 -0.22 0.00 0.00 54.13 55.43 1a7a s LEU 406 Cb -0.18 -4.20 -0.06 0.00 0.50 0.00 0.00 46.19 42.26 1a7a s LEU 406 CO 0.12 -0.21 0.51 -0.89 -1.32 0.00 0.00 176.35 174.56 1a7a s THR 407 N -1.92 4.97 -0.36 3.68 2.01 -1.26 -5.05 115.64 117.71 1a7a s THR 407 Ca 0.55 1.05 -0.16 0.00 0.31 0.00 0.00 61.69 63.45 1a7a s THR 407 Cb -0.13 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1a7a s THR 407 CO 0.18 0.48 0.38 -0.54 -0.69 0.00 0.00 174.62 174.42 1a7a s LYS 408 N -0.49 3.48 -0.03 4.92 -0.14 -1.26 -5.03 119.74 121.19 1a7a s LYS 408 Ca 0.27 -0.47 -0.36 0.00 -1.36 0.00 0.00 55.97 54.05 1a7a s LYS 408 Cb -0.17 -3.83 -0.14 0.00 -1.68 0.00 0.00 37.83 32.00 1a7a s LYS 408 CO 0.15 -0.59 1.66 -0.11 -0.76 0.00 0.00 175.35 175.70 1a7a n LEU 409 N 5.43 2.77 -4.79 3.17 7.94 -1.26 -4.93 117.00 125.32 1a7a n LEU 409 Ca -0.09 1.05 -0.31 0.00 -1.11 0.00 0.00 56.01 55.56 1a7a n LEU 409 Cb 0.49 -1.30 0.07 0.00 0.53 0.00 0.00 43.42 43.21 1a7a n LEU 409 CO 0.41 -0.40 0.71 0.42 -1.11 0.00 0.00 177.39 177.42 1a7a s THR 410 N 2.38 3.59 0.15 1.96 -4.23 -1.26 -4.70 115.64 113.53 1a7a s THR 410 Ca 0.88 0.54 -0.20 0.00 -1.18 0.00 0.00 61.69 61.73 1a7a s THR 410 Cb -0.82 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1a7a s THR 410 CO 0.50 -0.65 1.66 -0.08 -0.54 0.00 0.00 174.62 175.51 1a7a h GLU 411 N -0.85 -0.10 -0.70 3.99 4.22 -1.99 0.47 114.58 119.63 1a7a h GLU 411 Ca -0.44 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.10 1a7a h GLU 411 Cb 1.22 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1a7a h GLU 411 CO 0.54 -0.07 0.35 -0.22 -2.18 0.00 0.00 179.01 177.43 1a7a h LYS 412 N -0.10 0.58 -0.09 1.92 3.11 -2.01 -2.43 116.57 117.55 1a7a h LYS 412 Ca 0.15 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1a7a h LYS 412 Cb 0.32 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1a7a h LYS 412 CO -0.34 0.38 -0.12 1.96 -2.81 0.00 0.00 179.45 178.53 1a7a h GLN 413 N 0.60 0.24 -0.93 1.90 4.20 -1.58 -2.86 115.11 116.68 1a7a h GLN 413 Ca 0.34 -0.13 0.20 0.00 0.06 0.00 0.00 58.65 59.11 1a7a h GLN 413 Cb 0.34 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 1a7a h GLN 413 CO -0.26 0.69 0.60 0.00 -0.67 0.00 0.00 178.83 179.19 1a7a h ALA 414 N 0.54 2.09 -0.05 3.87 0.00 0.14 -0.05 119.26 125.81 1a7a h ALA 414 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a7a h ALA 414 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a7a h ALA 414 CO 0.03 -0.40 -0.21 1.96 0.00 0.00 0.00 179.25 180.63 1a7a h GLN 415 N 0.49 0.22 -0.52 0.00 4.20 -1.43 0.47 115.11 118.55 1a7a h GLN 415 Ca 0.49 -0.18 0.10 0.00 0.06 0.00 0.00 58.65 59.13 1a7a h GLN 415 Cb 1.11 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.84 1a7a h GLN 415 CO -0.22 0.83 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.84 1a7a h TYR 416 N -0.33 -0.05 0.00 2.96 3.20 -1.02 0.35 116.97 122.09 1a7a h TYR 416 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1a7a h TYR 416 Cb 0.86 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1a7a h TYR 416 CO 0.14 -0.13 0.00 1.28 -1.64 0.00 0.00 178.16 177.81 1a7a n LEU 417 N -5.25 0.75 -2.69 2.82 4.77 -0.14 -5.12 117.00 112.14 1a7a n LEU 417 Ca 0.06 0.63 -0.02 0.00 -0.03 0.00 0.00 56.01 56.65 1a7a n LEU 417 Cb 0.28 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1a7a n LEU 417 CO 0.14 -0.40 0.21 0.61 -1.33 0.00 0.00 177.39 176.63 1a7a n GLY 418 N 0.58 -1.08 3.79 -0.72 0.00 0.12 -5.07 105.19 102.81 1a7a n GLY 418 Ca 0.04 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.65 6.49 0.00 1.61 0.15 -1.26 -5.02 113.70 113.02 1a7a s SER 420 Ca 0.06 0.58 0.07 0.00 0.70 0.00 0.00 55.95 57.35 1a7a s SER 420 Cb -0.02 -2.16 0.41 0.00 -1.71 0.00 0.00 66.02 62.54 1a7a s SER 420 CO 0.60 0.23 0.93 0.00 1.20 0.00 0.00 173.24 176.19 1a7a n ASP 422 N -1.06 0.62 -3.38 0.00 9.92 -1.26 -4.64 116.55 116.75 1a7a n ASP 422 Ca 0.05 0.12 -0.16 0.00 -0.53 0.00 0.00 54.79 54.27 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 3.09 -2.40 3.47 0.44 0.00 -1.18 -4.82 105.19 103.79 1a7a n GLY 423 Ca 0.00 -0.78 -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 -2.24 0.04 0.00 1.61 -0.02 -1.26 -4.65 135.00 128.47 1a7a n PRO 424 Ca 0.07 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1a7a n PRO 424 Cb 0.32 -1.35 0.03 0.00 -0.02 0.00 0.00 33.50 32.49 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 1.00 0.00 -3.65 6.00 3.72 -1.26 -4.55 117.46 118.73 1a7a n PHE 425 Ca 0.19 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.47 1a7a n PHE 425 Cb 0.14 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.21 0.99 0.67 -1.08 1.02 -1.26 -5.14 119.74 112.72 1a7a s LYS 426 Ca 0.21 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 1a7a s LYS 426 Cb 0.18 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.93 1a7a s LYS 426 CO 0.45 -0.36 1.26 -2.14 -0.92 0.00 0.00 175.35 173.63 1a7a s PRO 427 N -3.05 2.48 0.53 -1.68 0.02 -1.26 -4.89 135.00 127.15 1a7a s PRO 427 Ca -0.02 1.94 0.24 0.00 0.02 0.00 0.00 61.00 63.19 1a7a s PRO 427 Cb 0.00 -1.85 1.39 0.00 0.02 0.00 0.00 34.50 34.06 1a7a s PRO 427 CO -0.07 -1.62 2.01 -0.44 -0.33 0.00 0.00 177.00 176.56 1a7a h ASP 428 N 0.34 0.00 0.32 2.53 3.32 -2.03 0.15 116.42 121.05 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 40.87 1a7a h ASP 428 CO 0.52 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.96 1a7a n HIS 429 N -4.39 0.00 -1.69 4.55 1.44 -1.26 -4.90 115.22 108.98 1a7a n HIS 429 Ca 0.08 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.35 1a7a n HIS 429 Cb 0.55 -0.16 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.91 2.33 0.04 -1.40 9.36 0.04 -4.89 117.16 121.72 1a7a n TYR 430 Ca 0.16 0.40 0.09 0.00 3.32 0.00 0.00 57.90 61.87 1a7a n TYR 430 Cb 0.26 -2.49 0.20 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 1.96 2.40 -0.03 2.98 1.74 -1.26 -5.01 116.66 119.43 1a7a n ARG 431 Ca 0.10 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1a7a n ARG 431 Cb 0.33 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1a7a n ARG 431 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77