#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrx s VAL 2 N 0.00 1.49 0.12 2.03 1.01 -1.26 0.96 120.40 124.74 3hrx s VAL 2 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 3hrx s VAL 2 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3hrx s VAL 2 CO 0.00 0.35 0.85 -0.76 0.00 0.00 0.00 175.10 175.54 3hrx s LEU 3 N 1.50 4.52 0.06 3.92 1.43 -0.27 -4.88 118.68 124.96 3hrx s LEU 3 Ca 0.03 1.67 0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3hrx s LEU 3 Cb -0.14 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3hrx s LEU 3 CO -0.10 0.05 -0.24 -0.54 0.23 0.00 0.00 176.35 175.75 3hrx s LYS 4 N -0.41 1.81 -0.28 1.70 1.02 -1.26 -1.19 119.74 121.13 3hrx s LYS 4 Ca 0.41 -1.12 -0.21 0.00 0.02 0.00 0.00 55.97 55.08 3hrx s LYS 4 Cb -0.23 -2.03 0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3hrx s LYS 4 CO 0.27 0.51 0.82 -1.83 -0.92 0.00 0.00 175.35 174.20 3hrx s GLU 5 N -1.45 0.65 -0.05 1.68 -1.05 -0.84 -5.00 118.70 112.64 3hrx s GLU 5 Ca 0.13 0.93 -0.14 0.00 -0.15 0.00 0.00 54.97 55.74 3hrx s GLU 5 Cb -0.10 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 3hrx s GLU 5 CO 0.04 -0.10 0.38 1.03 0.95 0.00 0.00 175.26 177.55 3hrx s ARG 6 N 0.92 3.98 -0.34 -4.83 1.81 -1.26 -0.40 118.95 118.82 3hrx s ARG 6 Ca -0.04 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 3hrx s ARG 6 Cb -0.05 -3.28 0.14 0.00 -0.45 0.00 0.00 34.95 31.31 3hrx s ARG 6 CO -0.10 0.56 0.24 -0.65 -0.68 0.00 0.00 175.30 174.67 3hrx s GLN 7 N -0.62 0.49 -0.70 3.54 -1.52 -0.03 -4.98 119.66 115.84 3hrx s GLN 7 Ca 0.22 -1.03 -0.11 0.00 -1.95 0.00 0.00 55.36 52.49 3hrx s GLN 7 Cb -0.15 -1.11 0.02 0.00 -0.22 0.00 0.00 33.01 31.54 3hrx s GLN 7 CO 0.11 -1.17 0.63 -0.25 -0.25 0.00 0.00 175.29 174.36 3hrx n ASP 8 N 4.36 -5.48 0.00 5.90 8.00 -1.26 -1.83 116.55 126.23 3hrx n ASP 8 Ca 0.08 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3hrx n ASP 8 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 3hrx n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrx n GLY 9 N -1.21 2.19 3.56 0.44 0.00 -1.26 -4.89 105.19 104.02 3hrx n GLY 9 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3hrx n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 10 N -2.84 4.51 -0.38 1.61 1.01 -0.76 -0.37 120.40 123.17 3hrx s VAL 10 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3hrx s VAL 10 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3hrx s VAL 10 CO 0.00 0.43 0.33 -0.22 0.00 0.00 0.00 175.10 175.64 3hrx s LEU 11 N 0.70 4.74 -0.26 3.92 2.96 -0.00 -0.85 118.68 129.89 3hrx s LEU 11 Ca 0.02 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3hrx s LEU 11 Cb -0.13 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3hrx s LEU 11 CO 0.02 -0.40 0.43 -0.69 -1.32 0.00 0.00 176.35 174.39 3hrx s VAL 12 N 1.88 5.13 -0.17 1.68 1.01 0.46 -1.29 120.40 129.10 3hrx s VAL 12 Ca 0.09 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3hrx s VAL 12 Cb -0.18 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3hrx s VAL 12 CO 0.11 0.13 -0.06 -0.76 0.00 0.00 0.00 175.10 174.53 3hrx s LEU 13 N 2.14 3.04 -0.19 3.92 1.43 0.70 -1.98 118.68 127.74 3hrx s LEU 13 Ca 0.18 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3hrx s LEU 13 Cb -0.16 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hrx s LEU 13 CO 0.10 0.12 -0.12 -0.89 0.23 0.00 0.00 176.35 175.78 3hrx s THR 14 N 0.66 1.71 0.16 5.49 2.01 -0.33 -1.60 115.64 123.73 3hrx s THR 14 Ca -0.03 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 3hrx s THR 14 Cb -0.15 -1.71 -0.11 0.00 0.01 0.00 0.00 72.50 70.54 3hrx s THR 14 CO 0.02 0.27 1.78 -0.76 -0.69 0.00 0.00 174.62 175.24 3hrx s LEU 15 N 1.39 4.39 -0.64 4.42 1.43 -0.40 -1.11 118.68 128.15 3hrx s LEU 15 Ca 0.01 2.80 0.06 0.00 -1.03 0.00 0.00 54.13 55.97 3hrx s LEU 15 Cb -0.15 -3.58 0.23 0.00 0.03 0.00 0.00 46.19 42.72 3hrx s LEU 15 CO -0.09 -0.99 0.67 -3.20 0.23 0.00 0.00 176.35 172.97 3hrx n ASN 16 N 4.91 3.38 -2.70 2.29 4.05 0.27 -1.17 115.26 126.30 3hrx n ASN 16 Ca 0.17 -3.35 -0.07 0.00 0.45 0.00 0.00 54.58 51.78 3hrx n ASN 16 Cb 0.37 -0.69 0.05 0.00 1.23 0.00 0.00 39.78 40.74 3hrx n ASN 16 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hrx n ARG 17 N 1.16 1.26 -0.31 1.20 1.74 -1.26 -4.41 116.66 116.04 3hrx n ARG 17 Ca 0.27 -3.02 0.17 0.00 -0.77 0.00 0.00 57.85 54.50 3hrx n ARG 17 Cb 0.40 -1.08 0.36 0.00 -1.02 0.00 0.00 32.46 31.13 3hrx n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hrx h PRO 18 N 2.72 0.26 -0.42 5.56 0.13 -1.85 0.27 132.00 138.66 3hrx h PRO 18 Ca -0.15 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.06 3hrx h PRO 18 Cb 1.22 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3hrx h PRO 18 CO 0.34 0.17 0.29 1.05 -0.23 0.00 0.00 178.00 179.62 3hrx h GLU 19 N 0.27 0.15 -0.40 0.86 9.09 -1.94 -0.69 114.58 121.92 3hrx h GLU 19 Ca 0.63 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.85 3hrx h GLU 19 Cb 1.33 -0.03 -0.10 0.00 -1.65 0.00 0.00 28.75 28.29 3hrx h GLU 19 CO -0.63 0.10 0.02 1.63 0.05 0.00 0.00 179.01 180.17 3hrx n LYS 20 N -4.45 2.16 -3.61 1.06 5.02 0.65 -4.93 118.16 114.06 3hrx n LYS 20 Ca 0.06 -3.09 -0.27 0.00 -2.02 0.00 0.00 58.31 52.99 3hrx n LYS 20 Cb 0.38 -1.87 0.02 0.00 -0.02 0.00 0.00 35.03 33.54 3hrx n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrx n LEU 21 N -0.97 -2.27 -4.01 -0.35 4.77 -0.26 -1.49 117.00 112.40 3hrx n LEU 21 Ca 0.33 -0.58 -0.31 0.00 -0.03 0.00 0.00 56.01 55.42 3hrx n LEU 21 Cb 1.08 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 3hrx n LEU 21 CO 0.23 0.34 0.02 0.59 -1.33 0.00 0.00 177.39 177.23 3hrx n ASN 22 N -2.62 -3.60 -4.77 -1.43 3.02 0.41 -1.82 115.26 104.45 3hrx n ASN 22 Ca 0.00 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 3hrx n ASN 22 Cb 0.54 -3.42 -0.01 0.00 -0.61 0.00 0.00 39.78 36.29 3hrx n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hrx n ALA 23 N -4.53 2.51 -2.65 5.41 0.00 -0.56 -4.32 120.51 116.37 3hrx n ALA 23 Ca -0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 3hrx n ALA 23 Cb 0.54 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 3hrx n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrx s ILE 24 N -0.71 4.71 0.26 0.00 1.01 0.84 -4.67 121.20 122.64 3hrx s ILE 24 Ca 0.57 1.95 0.03 0.00 0.00 0.00 0.00 60.65 63.20 3hrx s ILE 24 Cb -0.48 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.69 3hrx s ILE 24 CO 0.58 0.14 0.03 0.42 0.00 0.00 0.00 174.94 176.11 3hrx s THR 25 N 1.08 1.00 0.23 2.92 -4.23 -1.26 -0.89 115.64 114.49 3hrx s THR 25 Ca 0.53 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3hrx s THR 25 Cb -0.22 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.32 3hrx s THR 25 CO 0.28 -0.19 1.87 1.23 -0.54 0.00 0.00 174.62 177.27 3hrx h GLY 26 N 2.36 1.36 1.00 3.99 0.00 -1.98 -1.49 103.07 108.31 3hrx h GLY 26 Ca -0.39 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.35 3hrx h GLY 26 CO 0.65 0.57 0.36 -2.09 0.00 0.00 0.00 176.54 176.03 3hrx h GLU 27 N 1.28 0.76 -0.72 4.80 4.81 -1.99 -0.69 114.58 122.83 3hrx h GLU 27 Ca 0.33 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3hrx h GLU 27 Cb -0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3hrx h GLU 27 CO -0.06 0.53 0.26 1.25 -0.73 0.00 0.00 179.01 180.26 3hrx h LEU 28 N 0.77 1.02 -0.90 1.64 6.46 -1.84 -1.65 115.31 120.80 3hrx h LEU 28 Ca 0.21 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3hrx h LEU 28 Cb -0.05 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.59 3hrx h LEU 28 CO -0.04 0.93 0.02 -0.07 -0.62 0.00 0.00 178.44 178.66 3hrx h LEU 29 N 1.04 0.79 -0.72 2.25 3.38 -0.84 0.20 115.31 121.41 3hrx h LEU 29 Ca 0.24 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 29 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hrx h LEU 29 CO -0.01 0.85 -0.01 0.44 0.09 0.00 0.00 178.44 179.80 3hrx h ASP 30 N 0.77 0.95 -0.38 -0.43 3.32 -0.81 0.14 116.42 119.99 3hrx h ASP 30 Ca 0.15 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3hrx h ASP 30 Cb 0.44 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hrx h ASP 30 CO 0.02 1.01 -0.22 0.00 -1.72 0.00 0.00 179.24 178.33 3hrx h ALA 31 N 1.09 0.54 -0.36 3.45 0.00 -0.82 -1.20 119.26 121.96 3hrx h ALA 31 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hrx h ALA 31 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hrx h ALA 31 CO 0.03 0.51 0.13 1.25 0.00 0.00 0.00 179.25 181.17 3hrx h LEU 32 N 0.62 0.52 -0.50 0.00 5.85 -0.35 -1.61 115.31 119.83 3hrx h LEU 32 Ca 0.08 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3hrx h LEU 32 Cb 0.78 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3hrx h LEU 32 CO 0.06 0.57 0.27 0.22 -0.34 0.00 0.00 178.44 179.22 3hrx h TYR 33 N 0.44 0.51 -0.37 1.25 5.03 -0.61 -0.29 116.97 122.92 3hrx h TYR 33 Ca 0.12 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.46 3hrx h TYR 33 Cb 0.22 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 3hrx h TYR 33 CO 0.00 0.27 0.23 0.00 -1.32 0.00 0.00 178.16 177.35 3hrx h ALA 34 N 1.25 0.47 -0.73 1.82 0.00 -0.98 -0.74 119.26 120.35 3hrx h ALA 34 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hrx h ALA 34 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hrx h ALA 34 CO -0.12 -0.10 0.32 0.00 0.00 0.00 0.00 179.25 179.35 3hrx h ALA 35 N 1.15 1.19 -0.29 0.00 0.00 -0.86 -1.19 119.26 119.26 3hrx h ALA 35 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hrx h ALA 35 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hrx h ALA 35 CO -0.05 0.60 -0.00 -0.07 0.00 0.00 0.00 179.25 179.73 3hrx h LEU 36 N 1.05 0.51 -0.70 0.00 3.38 -0.65 -0.48 115.31 118.40 3hrx h LEU 36 Ca 0.25 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hrx h LEU 36 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hrx h LEU 36 CO -0.03 0.69 0.46 0.50 0.09 0.00 0.00 178.44 180.16 3hrx h LYS 37 N 0.30 0.93 -0.06 1.13 3.64 -0.91 0.96 116.57 122.55 3hrx h LYS 37 Ca 0.08 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hrx h LYS 37 Cb 0.44 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3hrx h LYS 37 CO 0.02 0.62 0.04 1.49 -2.27 0.00 0.00 179.45 179.35 3hrx h GLU 38 N 0.95 0.09 -0.52 1.90 4.81 -1.03 -1.55 114.58 119.23 3hrx h GLU 38 Ca 0.26 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3hrx h GLU 38 Cb -0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3hrx h GLU 38 CO -0.05 0.09 0.03 0.78 -0.73 0.00 0.00 179.01 179.13 3hrx h GLY 39 N 0.06 0.93 1.17 1.92 0.00 -0.73 -1.90 103.07 104.51 3hrx h GLY 39 Ca 0.02 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 3hrx h GLY 39 CO -0.00 0.57 0.06 -2.09 0.00 0.00 0.00 176.54 175.07 3hrx h GLU 40 N 0.81 1.01 0.00 4.80 4.57 -0.60 -3.11 114.58 122.05 3hrx h GLU 40 Ca 0.16 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3hrx h GLU 40 Cb 0.44 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3hrx h GLU 40 CO 0.02 0.95 -0.42 0.93 -1.18 0.00 0.00 179.01 179.30 3hrx h GLU 41 N 0.94 0.00 -6.43 1.92 5.08 -1.14 -3.45 114.58 111.50 3hrx h GLU 41 Ca 0.18 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.98 3hrx h GLU 41 Cb 0.46 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3hrx h GLU 41 CO 0.02 0.24 0.95 0.34 -1.00 0.00 0.00 179.01 179.56 3hrx s ASP 42 N -6.21 6.67 0.50 1.42 -1.08 -0.73 -4.90 116.67 112.35 3hrx s ASP 42 Ca 0.04 0.99 0.19 0.00 -0.52 0.00 0.00 52.55 53.25 3hrx s ASP 42 Cb 0.07 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.26 3hrx s ASP 42 CO 0.73 -1.12 2.09 0.08 0.52 0.00 0.00 175.17 177.47 3hrx h ARG 43 N 9.21 0.00 0.00 4.34 -0.00 -1.86 -2.08 114.38 123.99 3hrx h ARG 43 Ca -0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.73 3hrx h ARG 43 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.05 3hrx h ARG 43 CO 1.06 0.09 -0.01 0.93 -0.00 0.00 0.00 179.97 182.03 3hrx h GLU 44 N 0.00 0.00 -5.88 0.08 5.08 -1.93 -3.41 114.58 108.51 3hrx h GLU 44 Ca -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3hrx h GLU 44 Cb 0.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.30 3hrx h GLU 44 CO 0.01 0.01 0.44 0.08 -1.00 0.00 0.00 179.01 178.55 3hrx s VAL 45 N -3.58 4.57 -2.02 3.13 1.01 -0.78 -4.29 120.40 118.44 3hrx s VAL 45 Ca 0.02 0.49 0.19 0.00 0.00 0.00 0.00 61.98 62.68 3hrx s VAL 45 Cb 0.08 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3hrx s VAL 45 CO 0.57 -0.80 1.02 0.54 0.00 0.00 0.00 175.10 176.44 3hrx n ARG 46 N 6.92 1.60 -3.54 2.72 5.12 0.50 -4.91 116.66 125.06 3hrx n ARG 46 Ca 0.03 -1.22 -0.12 0.00 -1.93 0.00 0.00 57.85 54.61 3hrx n ARG 46 Cb 0.48 -1.36 -0.05 0.00 -1.16 0.00 0.00 32.46 30.37 3hrx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hrx s ALA 47 N -1.91 -1.86 0.14 7.54 0.00 -1.01 -4.16 121.76 120.50 3hrx s ALA 47 Ca 0.19 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.61 3hrx s ALA 47 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3hrx s ALA 47 CO 0.37 -0.42 -0.22 -0.51 0.00 0.00 0.00 175.76 174.99 3hrx s LEU 48 N -1.47 2.36 -0.11 0.00 1.02 -0.21 -0.82 118.68 119.44 3hrx s LEU 48 Ca -0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 3hrx s LEU 48 Cb -0.00 -0.97 0.04 0.00 0.02 0.00 0.00 46.19 45.28 3hrx s LEU 48 CO 0.01 0.06 -0.01 -0.22 0.02 0.00 0.00 176.35 176.21 3hrx s LEU 49 N -2.23 0.89 -0.12 1.79 2.96 -0.41 -0.22 118.68 121.33 3hrx s LEU 49 Ca 0.12 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3hrx s LEU 49 Cb -0.09 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 3hrx s LEU 49 CO 0.06 -0.20 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.63 3hrx s LEU 50 N 1.88 3.30 0.37 -0.68 2.96 0.46 -0.22 118.68 126.75 3hrx s LEU 50 Ca 0.03 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3hrx s LEU 50 Cb -0.14 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3hrx s LEU 50 CO -0.07 0.25 0.63 0.28 -1.32 0.00 0.00 176.35 176.12 3hrx s THR 51 N -0.12 0.00 0.08 3.68 -1.32 -0.63 -1.06 115.64 116.28 3hrx s THR 51 Ca 0.03 -1.32 0.09 0.00 -1.21 0.00 0.00 61.69 59.28 3hrx s THR 51 Cb -0.13 -2.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 3hrx s THR 51 CO 0.02 0.00 -0.22 -0.83 -2.21 0.00 0.00 174.62 171.38 3hrx s GLY 52 N -3.17 1.56 0.22 6.08 0.00 -1.26 -1.28 107.32 109.48 3hrx s GLY 52 Ca 0.24 -1.32 -0.18 0.00 0.00 0.00 0.00 44.72 43.46 3hrx s GLY 52 CO 0.16 -1.25 0.70 0.00 0.00 0.00 0.00 173.10 172.71 3hrx s ALA 53 N -0.98 3.43 0.00 3.20 0.00 -0.31 -4.80 121.76 122.30 3hrx s ALA 53 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3hrx s ALA 53 Cb -0.10 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3hrx s ALA 53 CO 0.06 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3hrx n GLY 54 N 0.64 -0.80 0.20 0.00 0.00 -1.26 -4.30 105.19 99.67 3hrx n GLY 54 Ca -0.02 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.68 3hrx n GLY 54 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hrx h ARG 55 N 0.00 0.00 -5.54 1.61 0.11 -1.91 -3.46 114.38 105.19 3hrx h ARG 55 Ca 0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 3hrx h ARG 55 Cb 0.00 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 30.94 3hrx h ARG 55 CO 0.00 0.30 -0.71 0.00 0.10 0.00 0.00 179.97 179.67 3hrx s ALA 56 N -3.67 2.18 -0.08 0.08 0.00 -1.26 -4.14 121.76 114.86 3hrx s ALA 56 Ca 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.12 3hrx s ALA 56 Cb 0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3hrx s ALA 56 CO 0.66 0.00 0.22 0.35 0.00 0.00 0.00 175.76 177.00 3hrx h PHE 57 N 2.42 -0.14 -0.76 0.00 3.57 -1.44 -3.36 116.94 117.23 3hrx h PHE 57 Ca -0.39 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.32 3hrx h PHE 57 Cb 1.23 0.04 -0.29 0.00 2.79 0.00 0.00 35.95 39.73 3hrx h PHE 57 CO 0.70 -0.03 0.54 0.45 -2.23 0.00 0.00 178.31 177.73 3hrx s SER 58 N -5.42 -0.21 0.00 0.41 0.15 -0.43 -4.39 113.70 103.81 3hrx s SER 58 Ca -0.03 0.30 0.28 0.00 0.70 0.00 0.00 55.95 57.20 3hrx s SER 58 Cb 0.00 1.17 1.64 0.00 -1.71 0.00 0.00 66.02 67.13 3hrx s SER 58 CO 0.11 -0.04 2.03 0.00 1.20 0.00 0.00 173.24 176.54 3hrx n ALA 59 N 4.04 2.62 0.00 5.45 0.00 -0.76 -1.30 120.51 130.56 3hrx n ALA 59 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hrx n ALA 59 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hrx n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrx n GLY 60 N 0.87 -1.80 3.63 0.00 0.00 -1.00 -4.44 105.19 102.44 3hrx n GLY 60 Ca 0.21 -1.84 -0.52 0.00 0.00 0.00 0.00 46.02 43.87 3hrx n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrx n GLN 61 N 0.00 1.33 -2.46 1.61 -0.06 -1.26 -0.12 117.38 116.42 3hrx n GLN 61 Ca 0.00 0.48 -0.42 0.00 -2.00 0.00 0.00 57.00 55.06 3hrx n GLN 61 Cb 0.00 -2.16 -0.02 0.00 -4.06 0.00 0.00 30.24 24.00 3hrx n GLN 61 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3hrx s ASP 62 N 1.24 6.34 0.53 1.69 3.68 -0.07 -4.70 116.67 125.38 3hrx s ASP 62 Ca 0.87 0.42 0.35 0.00 2.13 0.00 0.00 52.55 56.32 3hrx s ASP 62 Cb -0.93 -2.55 1.80 0.00 -1.45 0.00 0.00 42.92 39.79 3hrx s ASP 62 CO 0.49 -1.51 2.07 -0.07 0.13 0.00 0.00 175.17 176.29 3hrx h LEU 63 N 12.27 0.00 -0.05 -1.34 3.38 -1.90 -2.22 115.31 125.46 3hrx h LEU 63 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hrx h LEU 63 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hrx h LEU 63 CO 1.15 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 179.98 3hrx n THR 64 N -2.81 0.00 -0.18 0.22 -2.24 -1.26 -3.90 114.28 104.11 3hrx n THR 64 Ca -0.01 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3hrx n THR 64 Cb 0.13 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3hrx n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hrx h GLU 65 N 0.13 0.91 -0.64 -0.78 4.81 -1.78 -2.95 114.58 114.28 3hrx h GLU 65 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3hrx h GLU 65 Cb 0.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3hrx h GLU 65 CO 0.00 0.93 0.00 1.97 -0.73 0.00 0.00 179.01 181.18 3hrx n PHE 66 N -4.30 0.97 0.00 0.92 1.16 -1.25 -5.01 117.46 109.95 3hrx n PHE 66 Ca 0.01 -0.45 0.00 0.00 -1.87 0.00 0.00 57.45 55.14 3hrx n PHE 66 Cb 0.32 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 3hrx n PHE 66 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3hrx n GLY 67 N 1.40 1.93 0.50 4.97 0.00 -1.12 -1.21 105.19 111.66 3hrx n GLY 67 Ca 0.22 0.34 0.05 0.00 0.00 0.00 0.00 46.02 46.63 3hrx n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hrx n ASP 68 N 2.09 2.85 -4.78 1.61 8.00 -1.26 -4.94 116.55 120.12 3hrx n ASP 68 Ca 0.00 -2.26 -0.32 0.00 0.71 0.00 0.00 54.79 52.91 3hrx n ASP 68 Cb 0.00 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 40.89 3hrx n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hrx s ARG 69 N -1.46 2.89 0.13 -1.24 3.00 -0.35 -4.95 118.95 116.96 3hrx s ARG 69 Ca 0.22 1.27 -0.31 0.00 0.00 0.00 0.00 55.73 56.91 3hrx s ARG 69 Cb 0.14 -1.97 -0.11 0.00 0.00 0.00 0.00 34.95 33.02 3hrx s ARG 69 CO 0.10 -1.16 1.85 1.63 0.00 0.00 0.00 175.30 177.72 3hrx n LYS 70 N -2.52 2.84 -2.15 3.54 4.76 -1.26 -4.93 118.16 118.45 3hrx n LYS 70 Ca 0.09 1.03 -0.42 0.00 -2.87 0.00 0.00 58.31 56.15 3hrx n LYS 70 Cb 0.52 -2.94 -0.03 0.00 -1.84 0.00 0.00 35.03 30.75 3hrx n LYS 70 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3hrx s PRO 71 N 2.81 4.32 -0.44 1.97 0.02 -1.26 -4.96 135.00 137.46 3hrx s PRO 71 Ca 0.82 2.11 0.08 0.00 0.02 0.00 0.00 61.00 64.04 3hrx s PRO 71 Cb -0.47 -3.22 0.28 0.00 0.02 0.00 0.00 34.50 31.11 3hrx s PRO 71 CO 0.37 -0.42 0.63 -3.47 -0.33 0.00 0.00 177.00 173.78 3hrx n ASP 72 N 3.60 1.15 0.24 2.53 -0.08 -1.26 -4.96 116.55 117.77 3hrx n ASP 72 Ca 0.10 -2.94 0.07 0.00 -1.51 0.00 0.00 54.79 50.52 3hrx n ASP 72 Cb 0.42 -0.64 0.59 0.00 2.34 0.00 0.00 41.12 43.83 3hrx n ASP 72 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3hrx h TYR 73 N 3.75 0.00 -0.42 -0.67 0.99 -1.98 -1.85 116.97 116.79 3hrx h TYR 73 Ca 0.10 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 3hrx h TYR 73 Cb 0.84 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.56 3hrx h TYR 73 CO 0.47 0.13 0.06 1.49 -0.00 0.00 0.00 178.16 180.31 3hrx h GLU 74 N 0.00 0.69 -0.55 4.88 4.81 -1.99 0.15 114.58 122.58 3hrx h GLU 74 Ca -0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 3hrx h GLU 74 Cb 0.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3hrx h GLU 74 CO 0.02 0.74 0.10 0.00 -0.73 0.00 0.00 179.01 179.13 3hrx h ALA 75 N 0.93 0.73 0.35 2.92 0.00 -1.89 -0.76 119.26 121.54 3hrx h ALA 75 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 75 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hrx h ALA 75 CO 0.01 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.80 3hrx h HIS 76 N 0.80 -0.44 -0.72 0.00 -0.00 -1.04 -2.32 115.15 111.42 3hrx h HIS 76 Ca 0.17 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 3hrx h HIS 76 Cb 0.39 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 3hrx h HIS 76 CO 0.03 -0.21 0.24 -0.07 -0.00 0.00 0.00 177.93 177.92 3hrx h LEU 77 N -0.57 1.03 -1.91 0.26 3.38 -0.69 -1.38 115.31 115.43 3hrx h LEU 77 Ca -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hrx h LEU 77 Cb 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hrx h LEU 77 CO 0.08 0.95 -0.10 0.03 0.09 0.00 0.00 178.44 179.48 3hrx h ARG 78 N 1.07 0.00 0.23 1.13 3.08 -1.08 0.60 114.38 119.41 3hrx h ARG 78 Ca 0.24 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.96 3hrx h ARG 78 Cb 0.27 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.36 3hrx h ARG 78 CO -0.01 0.10 -1.46 -0.09 -1.07 0.00 0.00 179.97 177.44 3hrx h ARG 79 N 0.00 0.49 -0.01 0.04 2.43 -0.82 -3.38 114.38 113.14 3hrx h ARG 79 Ca -0.00 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 3hrx h ARG 79 Cb 0.21 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hrx h ARG 79 CO 0.01 1.40 -0.47 0.66 -1.51 0.00 0.00 179.97 180.07 3hrx n TYR 80 N -3.75 0.00 0.21 2.20 4.02 -0.58 -4.16 117.16 115.10 3hrx n TYR 80 Ca -0.18 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.85 3hrx n TYR 80 Cb 1.07 -0.03 0.77 0.00 -0.02 0.00 0.00 39.34 41.13 3hrx n TYR 80 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3hrx h ASN 81 N 1.99 0.00 0.22 7.72 -0.26 0.03 0.24 115.58 125.52 3hrx h ASN 81 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3hrx h ASN 81 Cb 0.69 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3hrx h ASN 81 CO 0.00 0.00 -0.11 0.08 -1.06 0.00 0.00 177.43 176.34 3hrx h ARG 82 N 0.00 0.00 -0.30 0.81 0.11 -1.82 -1.43 114.38 111.75 3hrx h ARG 82 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3hrx h ARG 82 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3hrx h ARG 82 CO 0.00 0.11 -0.15 0.28 0.10 0.00 0.00 179.97 180.31 3hrx h VAL 83 N 0.00 1.29 -0.66 0.08 2.07 -1.26 -1.32 116.25 116.46 3hrx h VAL 83 Ca -0.00 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 3hrx h VAL 83 Cb 0.26 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3hrx h VAL 83 CO 0.01 0.40 0.10 0.58 0.02 0.00 0.00 177.57 178.69 3hrx h VAL 84 N 0.39 1.26 -0.54 2.57 2.07 -1.51 -0.87 116.25 119.63 3hrx h VAL 84 Ca 0.07 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3hrx h VAL 84 Cb 0.68 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3hrx h VAL 84 CO 0.05 0.39 0.30 -0.33 0.02 0.00 0.00 177.57 177.99 3hrx h GLU 85 N 1.01 0.56 -0.27 1.57 4.39 -1.15 0.66 114.58 121.35 3hrx h GLU 85 Ca 0.20 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3hrx h GLU 85 Cb 0.44 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3hrx h GLU 85 CO 0.01 0.37 0.13 0.00 -1.16 0.00 0.00 179.01 178.36 3hrx h ALA 86 N 1.27 0.34 0.18 3.43 0.00 -0.86 -0.50 119.26 123.12 3hrx h ALA 86 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hrx h ALA 86 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hrx h ALA 86 CO -0.14 -0.10 -0.21 -0.07 0.00 0.00 0.00 179.25 178.74 3hrx h LEU 87 N 0.30 -0.56 -1.65 0.00 3.38 -0.73 -2.35 115.31 113.70 3hrx h LEU 87 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3hrx h LEU 87 Cb 0.12 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hrx h LEU 87 CO -0.01 -0.30 0.05 0.77 0.09 0.00 0.00 178.44 179.04 3hrx h SER 88 N -0.43 0.25 -0.17 -0.43 4.64 -0.77 -2.91 113.55 113.73 3hrx h SER 88 Ca 0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hrx h SER 88 Cb 0.42 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hrx h SER 88 CO -0.07 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3hrx n GLY 89 N -1.29 0.48 3.62 -0.77 0.00 -0.21 -4.94 105.19 102.09 3hrx n GLY 89 Ca -0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 46.02 45.03 3hrx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hrx n LEU 90 N 0.52 2.17 -2.35 0.99 4.77 -0.91 -4.83 117.00 117.36 3hrx n LEU 90 Ca 0.17 1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 56.97 3hrx n LEU 90 Cb 0.39 -1.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.23 3hrx n LEU 90 CO 0.14 -0.75 1.44 -0.62 -1.33 0.00 0.00 177.39 176.27 3hrx n GLU 91 N 3.09 2.34 -3.55 3.23 1.02 -1.26 -4.79 120.64 120.71 3hrx n GLU 91 Ca 0.19 -2.51 -0.12 0.00 -0.02 0.00 0.00 57.16 54.70 3hrx n GLU 91 Cb 0.22 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.55 3hrx n GLU 91 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3hrx s LYS 92 N -2.60 0.72 0.41 3.49 -2.85 -1.26 -4.56 119.74 113.09 3hrx s LYS 92 Ca 0.51 0.11 -0.26 0.00 -1.00 0.00 0.00 55.97 55.32 3hrx s LYS 92 Cb 0.38 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.40 3hrx s LYS 92 CO -0.14 -0.24 1.39 -1.25 0.10 0.00 0.00 175.35 175.21 3hrx s PRO 93 N -1.40 3.90 -0.17 1.78 0.04 -1.26 -4.83 135.00 133.06 3hrx s PRO 93 Ca -0.03 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.37 3hrx s PRO 93 Cb -0.00 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.78 3hrx s PRO 93 CO 0.02 -0.62 -0.19 -1.17 0.04 0.00 0.00 177.00 175.08 3hrx s LEU 94 N -2.45 2.20 -0.11 -3.56 2.96 -1.26 -1.05 118.68 115.41 3hrx s LEU 94 Ca 0.57 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3hrx s LEU 94 Cb -0.42 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3hrx s LEU 94 CO 0.55 0.02 0.02 -0.69 -1.32 0.00 0.00 176.35 174.93 3hrx s VAL 95 N 1.16 4.49 -0.06 1.68 1.01 0.70 -0.48 120.40 128.90 3hrx s VAL 95 Ca 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3hrx s VAL 95 Cb -0.14 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3hrx s VAL 95 CO -0.09 0.58 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 3hrx s VAL 96 N -0.66 2.24 -0.29 2.92 1.01 -0.57 -0.40 120.40 124.65 3hrx s VAL 96 Ca 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3hrx s VAL 96 Cb -0.12 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.51 3hrx s VAL 96 CO 0.02 0.57 -0.04 0.00 0.00 0.00 0.00 175.10 175.65 3hrx s ALA 97 N -0.18 2.63 -0.58 5.51 0.00 -0.22 -0.69 121.76 128.23 3hrx s ALA 97 Ca -0.03 -2.03 -0.23 0.00 0.00 0.00 0.00 51.96 49.67 3hrx s ALA 97 Cb -0.14 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.31 3hrx s ALA 97 CO 0.04 -1.40 0.92 0.08 0.00 0.00 0.00 175.76 175.40 3hrx s VAL 98 N 1.05 4.41 -1.10 0.00 1.01 0.71 -4.29 120.40 122.18 3hrx s VAL 98 Ca -0.01 0.02 0.27 0.00 0.00 0.00 0.00 61.98 62.26 3hrx s VAL 98 Cb -0.19 -4.56 0.16 0.00 0.00 0.00 0.00 36.38 31.79 3hrx s VAL 98 CO -0.07 -1.20 1.68 -0.46 0.00 0.00 0.00 175.10 175.06 3hrx n ASN 99 N 7.44 0.31 0.00 3.32 6.94 -1.26 -1.18 115.26 130.83 3hrx n ASN 99 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 3hrx n ASN 99 Cb 0.47 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3hrx n ASN 99 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrx n GLY 100 N 1.47 1.78 3.73 4.83 0.00 -1.26 -4.69 105.19 111.04 3hrx n GLY 100 Ca 0.07 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hrx n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 101 N 0.96 2.58 -0.23 1.61 1.01 -1.26 -2.49 120.40 122.58 3hrx s VAL 101 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 3hrx s VAL 101 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3hrx s VAL 101 CO 0.00 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.17 3hrx s ALA 102 N 0.59 1.47 0.06 5.51 0.00 -0.53 -1.32 121.76 127.54 3hrx s ALA 102 Ca 0.65 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3hrx s ALA 102 Cb -0.43 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3hrx s ALA 102 CO 0.37 -1.28 -0.09 0.00 0.00 0.00 0.00 175.76 174.76 3hrx s ALA 103 N 1.63 0.79 0.00 0.00 0.00 -0.42 -1.76 121.76 122.01 3hrx s ALA 103 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3hrx s ALA 103 Cb -0.18 0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3hrx s ALA 103 CO -0.11 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3hrx n GLY 104 N 1.18 3.01 0.29 0.00 0.00 -0.75 -0.06 105.19 108.86 3hrx n GLY 104 Ca -0.21 -0.21 0.20 0.00 0.00 0.00 0.00 46.02 45.80 3hrx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx h ALA 105 N -0.79 1.00 -0.36 4.61 0.00 -1.87 0.26 119.26 122.11 3hrx h ALA 105 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 105 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hrx h ALA 105 CO 0.00 0.00 -0.30 0.78 0.00 0.00 0.00 179.25 179.73 3hrx h GLY 106 N 0.02 0.84 1.23 0.00 0.00 -0.66 -0.49 103.07 104.00 3hrx h GLY 106 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 47.33 46.35 3hrx h GLY 106 CO 0.00 0.71 -0.65 1.98 0.00 0.00 0.00 176.54 178.58 3hrx h MET 107 N 0.66 0.79 -0.22 4.80 4.05 -0.38 -2.48 114.93 122.15 3hrx h MET 107 Ca 0.08 -0.56 0.04 0.00 -0.28 0.00 0.00 59.70 58.97 3hrx h MET 107 Cb 0.83 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.69 3hrx h MET 107 CO 0.07 1.18 0.00 0.77 0.23 0.00 0.00 176.91 179.16 3hrx h SER 108 N 0.58 -0.08 -0.56 1.39 0.02 -1.01 -1.56 113.55 112.33 3hrx h SER 108 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hrx h SER 108 Cb 1.26 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 3hrx h SER 108 CO 0.14 -0.01 0.31 -0.07 -1.14 0.00 0.00 176.83 176.05 3hrx h LEU 109 N 0.07 0.69 -0.89 5.07 3.38 -1.08 -2.84 115.31 119.71 3hrx h LEU 109 Ca 0.10 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hrx h LEU 109 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hrx h LEU 109 CO -0.17 0.59 0.59 0.00 0.09 0.00 0.00 178.44 179.53 3hrx h ALA 110 N 1.14 1.16 0.00 1.53 0.00 -1.08 -2.37 119.26 119.63 3hrx h ALA 110 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hrx h ALA 110 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3hrx h ALA 110 CO -0.03 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.99 3hrx n LEU 111 N -4.49 0.00 0.00 0.00 4.77 -0.62 -2.44 117.00 114.22 3hrx n LEU 111 Ca 0.11 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3hrx n LEU 111 Cb 0.05 -0.49 0.62 0.00 -2.33 0.00 0.00 43.42 41.27 3hrx n LEU 111 CO 0.35 -0.26 0.95 0.79 -1.33 0.00 0.00 177.39 177.89 3hrx n TRP 112 N -1.49 0.00 -2.10 -1.77 7.02 -0.89 -4.83 117.44 113.37 3hrx n TRP 112 Ca 0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.14 3hrx n TRP 112 Cb 0.16 -0.44 0.01 0.00 -2.42 0.00 0.00 31.31 28.62 3hrx n TRP 112 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3hrx s GLY 113 N -2.89 2.79 0.08 6.99 0.00 -1.02 -4.90 107.32 108.37 3hrx s GLY 113 Ca 0.17 1.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.80 3hrx s GLY 113 CO 0.48 1.49 1.20 -0.55 0.00 0.00 0.00 173.10 175.73 3hrx h ASP 114 N 1.66 0.87 -3.44 1.64 3.32 -1.10 -3.43 116.42 115.95 3hrx h ASP 114 Ca -0.50 -0.70 -0.59 0.00 0.02 0.00 0.00 57.03 55.27 3hrx h ASP 114 Cb 1.27 -0.27 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 3hrx h ASP 114 CO 0.58 1.50 -0.84 -0.76 -1.72 0.00 0.00 179.24 178.00 3hrx s LEU 115 N -8.07 1.85 -0.09 1.55 2.01 -1.14 -5.05 118.68 109.75 3hrx s LEU 115 Ca -0.09 -0.41 0.03 0.00 0.01 0.00 0.00 54.13 53.67 3hrx s LEU 115 Cb 0.07 -1.07 0.01 0.00 0.01 0.00 0.00 46.19 45.21 3hrx s LEU 115 CO 0.92 0.10 -0.17 -0.13 1.01 0.00 0.00 176.35 178.07 3hrx s ARG 116 N 0.47 2.29 0.05 1.70 0.52 -1.26 -1.51 118.95 121.22 3hrx s ARG 116 Ca -0.15 -0.61 0.09 0.00 -0.52 0.00 0.00 55.73 54.54 3hrx s ARG 116 Cb -0.16 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 3hrx s ARG 116 CO 0.06 0.07 -0.25 -0.51 0.02 0.00 0.00 175.30 174.68 3hrx s LEU 117 N 0.59 2.24 0.02 2.53 1.02 0.13 0.28 118.68 125.50 3hrx s LEU 117 Ca -0.15 -0.59 0.06 0.00 0.02 0.00 0.00 54.13 53.47 3hrx s LEU 117 Cb -0.16 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.72 3hrx s LEU 117 CO 0.05 0.25 -0.17 0.00 0.02 0.00 0.00 176.35 176.50 3hrx s ALA 118 N -0.85 1.39 0.40 4.21 0.00 -0.39 -0.21 121.76 126.31 3hrx s ALA 118 Ca 0.12 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 3hrx s ALA 118 Cb -0.10 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 3hrx s ALA 118 CO 0.03 0.31 0.85 0.00 0.00 0.00 0.00 175.76 176.94 3hrx s ALA 119 N -0.65 3.20 0.33 0.00 0.00 -0.32 -1.19 121.76 123.13 3hrx s ALA 119 Ca 0.05 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 3hrx s ALA 119 Cb -0.07 -2.92 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 3hrx s ALA 119 CO 0.01 0.11 1.47 0.28 0.00 0.00 0.00 175.76 177.62 3hrx n VAL 120 N -0.84 1.63 0.00 0.00 0.31 0.33 -1.16 118.33 118.59 3hrx n VAL 120 Ca 0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3hrx n VAL 120 Cb 0.54 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3hrx n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrx n GLY 121 N 1.16 2.53 3.74 2.92 0.00 -1.26 -4.42 105.19 109.86 3hrx n GLY 121 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3hrx n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx s ALA 122 N -2.58 1.86 0.07 4.61 0.00 -0.31 -4.80 121.76 120.61 3hrx s ALA 122 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 3hrx s ALA 122 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3hrx s ALA 122 CO 0.00 -2.09 0.24 -1.54 0.00 0.00 0.00 175.76 172.37 3hrx s SER 123 N -3.48 0.00 -0.11 0.00 1.04 -1.04 -2.17 113.70 107.95 3hrx s SER 123 Ca 0.62 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 56.62 3hrx s SER 123 Cb -0.17 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.32 3hrx s SER 123 CO 0.56 -0.67 -0.08 -0.36 0.98 0.00 0.00 173.24 173.67 3hrx s PHE 124 N -3.23 1.47 -0.13 5.02 0.08 -0.12 -1.46 117.98 119.61 3hrx s PHE 124 Ca -0.00 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.33 3hrx s PHE 124 Cb 0.02 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 3hrx s PHE 124 CO -0.08 -0.48 -0.01 0.99 -0.10 0.00 0.00 175.22 175.54 3hrx s THR 125 N 1.58 0.68 0.27 0.64 2.01 -0.72 -0.87 115.64 119.23 3hrx s THR 125 Ca 0.03 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 3hrx s THR 125 Cb -0.13 -0.92 0.26 0.00 0.01 0.00 0.00 72.50 71.72 3hrx s THR 125 CO -0.07 0.11 1.82 0.71 -0.69 0.00 0.00 174.62 176.51 3hrx h THR 126 N 6.37 0.91 0.00 -0.82 1.35 -1.81 -1.98 112.91 116.93 3hrx h THR 126 Ca -0.21 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3hrx h THR 126 Cb 1.12 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3hrx h THR 126 CO 0.33 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 3hrx n ALA 127 N -2.36 0.00 -0.27 6.62 0.00 -1.26 -2.33 120.51 120.91 3hrx n ALA 127 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.65 3hrx n ALA 127 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.91 3hrx n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3hrx h PHE 128 N 0.00 -0.25 -0.12 0.00 -1.00 -1.86 -0.09 116.94 113.62 3hrx h PHE 128 Ca 0.00 0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.88 3hrx h PHE 128 Cb 0.00 0.23 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 3hrx h PHE 128 CO 0.00 -0.31 0.09 -0.24 -1.61 0.00 0.00 178.31 176.24 3hrx h VAL 129 N 0.04 0.89 0.00 -0.55 3.04 -1.79 -1.66 116.25 116.22 3hrx h VAL 129 Ca 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.09 3hrx h VAL 129 Cb 0.68 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 3hrx h VAL 129 CO -0.76 0.00 -0.01 0.03 -1.01 0.00 0.00 177.57 175.82 3hrx h ARG 130 N 0.00 0.00 -0.02 4.17 3.08 -1.32 -1.78 114.38 118.52 3hrx h ARG 130 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hrx h ARG 130 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3hrx h ARG 130 CO -0.00 0.01 -0.50 0.44 -1.07 0.00 0.00 179.97 178.85 3hrx n ILE 131 N -3.38 2.22 -1.99 2.04 -5.35 -0.71 -4.97 119.36 107.22 3hrx n ILE 131 Ca -0.03 -3.26 -0.15 0.00 -0.27 0.00 0.00 62.75 59.05 3hrx n ILE 131 Cb 0.10 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 3hrx n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hrx n GLY 132 N -1.11 0.38 3.73 3.28 0.00 -0.67 -5.02 105.19 105.77 3hrx n GLY 132 Ca 0.20 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3hrx n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrx s LEU 133 N -4.03 3.07 0.33 0.99 1.43 -0.72 -4.99 118.68 114.76 3hrx s LEU 133 Ca 0.00 -1.13 0.07 0.00 -1.03 0.00 0.00 54.13 52.05 3hrx s LEU 133 Cb 0.00 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 3hrx s LEU 133 CO 0.00 -0.56 0.35 0.68 0.23 0.00 0.00 176.35 177.06 3hrx s VAL 134 N -2.62 3.76 0.21 -1.59 -7.23 -1.26 -3.06 120.40 108.61 3hrx s VAL 134 Ca 0.40 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3hrx s VAL 134 Cb 0.04 -3.28 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 3hrx s VAL 134 CO 0.22 -0.17 1.35 -2.16 -0.31 0.00 0.00 175.10 174.02 3hrx s PRO 135 N -4.05 4.35 0.10 4.82 0.04 -1.26 -4.88 135.00 134.12 3hrx s PRO 135 Ca 0.42 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3hrx s PRO 135 Cb -0.07 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 3hrx s PRO 135 CO 0.28 -0.30 0.03 -0.40 0.04 0.00 0.00 177.00 176.66 3hrx n ASP 136 N 2.56 1.03 -2.54 6.66 5.68 -1.26 -4.44 116.55 124.25 3hrx n ASP 136 Ca 0.06 -1.52 -0.21 0.00 -0.50 0.00 0.00 54.79 52.62 3hrx n ASP 136 Cb 0.42 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 3hrx n ASP 136 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hrx n SER 137 N -1.92 -6.00 0.00 -1.12 7.64 -1.26 -2.20 113.62 108.76 3hrx n SER 137 Ca -0.01 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3hrx n SER 137 Cb 0.15 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.39 3hrx n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hrx n GLY 138 N -1.14 0.94 0.30 0.23 0.00 -1.26 -4.72 105.19 99.54 3hrx n GLY 138 Ca -0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3hrx n GLY 138 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 139 N 0.00 0.60 -1.19 0.99 5.85 -1.73 0.80 115.31 120.62 3hrx h LEU 139 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hrx h LEU 139 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hrx h LEU 139 CO 0.00 0.53 0.00 0.77 -0.34 0.00 0.00 178.44 179.40 3hrx h SER 140 N 0.66 0.00 0.00 1.25 4.64 -1.83 -1.25 113.55 117.02 3hrx h SER 140 Ca 0.16 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 3hrx h SER 140 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3hrx h SER 140 CO -0.02 0.00 -0.76 0.15 -0.87 0.00 0.00 176.83 175.33 3hrx h PHE 141 N 0.00 0.00 -0.10 4.77 3.04 -1.66 -3.41 116.94 119.59 3hrx h PHE 141 Ca 0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 3hrx h PHE 141 Cb 0.59 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.10 3hrx h PHE 141 CO 0.00 1.16 -0.16 -0.07 -2.02 0.00 0.00 178.31 177.21 3hrx h LEU 142 N -1.00 0.32 -0.19 0.59 3.38 -0.86 -3.32 115.31 114.23 3hrx h LEU 142 Ca -0.20 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.28 3hrx h LEU 142 Cb 1.09 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3hrx h LEU 142 CO -0.12 0.79 -0.23 0.25 0.09 0.00 0.00 178.44 179.22 3hrx h LEU 143 N -0.15 -0.73 -1.21 1.67 5.85 -1.46 0.22 115.31 119.50 3hrx h LEU 143 Ca 0.01 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hrx h LEU 143 Cb 0.73 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3hrx h LEU 143 CO 0.04 -0.27 0.43 -0.65 -0.34 0.00 0.00 178.44 177.64 3hrx h PRO 144 N -0.26 0.97 -0.29 5.25 0.11 -1.78 -0.87 132.00 135.13 3hrx h PRO 144 Ca 0.12 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3hrx h PRO 144 Cb 0.44 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3hrx h PRO 144 CO -0.34 0.68 -0.13 0.00 -0.21 0.00 0.00 178.00 178.00 3hrx h ARG 145 N 0.99 0.59 -0.25 1.05 3.08 -1.45 0.99 114.38 119.39 3hrx h ARG 145 Ca 0.26 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hrx h ARG 145 Cb -0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hrx h ARG 145 CO -0.05 0.82 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.32 3hrx h LEU 146 N 0.34 0.68 -1.37 3.04 3.38 -0.24 -3.37 115.31 117.76 3hrx h LEU 146 Ca 0.07 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hrx h LEU 146 Cb 0.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hrx h LEU 146 CO 0.04 1.03 0.00 1.33 0.09 0.00 0.00 178.44 180.93 3hrx n VAL 147 N -4.31 0.14 0.00 1.22 0.24 -0.36 -4.81 118.33 110.45 3hrx n VAL 147 Ca -0.05 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3hrx n VAL 147 Cb 0.47 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3hrx n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrx n GLY 148 N 0.10 0.33 0.32 7.63 0.00 0.34 -4.37 105.19 109.54 3hrx n GLY 148 Ca 0.02 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 3hrx n GLY 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 149 N 0.00 1.04 -0.22 0.99 5.85 -1.90 -1.95 115.31 119.12 3hrx h LEU 149 Ca 0.00 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3hrx h LEU 149 Cb 0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3hrx h LEU 149 CO 0.00 0.99 -0.05 0.00 -0.34 0.00 0.00 178.44 179.04 3hrx h ALA 150 N 1.09 0.15 -0.33 1.25 0.00 -1.94 0.10 119.26 119.57 3hrx h ALA 150 Ca 0.22 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 3hrx h ALA 150 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hrx h ALA 150 CO -0.00 -0.47 -0.43 0.87 0.00 0.00 0.00 179.25 179.21 3hrx h LYS 151 N 0.01 0.85 -0.77 0.00 1.79 -1.75 -3.05 116.57 113.65 3hrx h LYS 151 Ca 0.11 -0.47 0.04 0.00 -2.18 0.00 0.00 60.65 58.14 3hrx h LYS 151 Cb 0.16 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 3hrx h LYS 151 CO -0.22 1.11 0.49 0.00 -1.08 0.00 0.00 179.45 179.74 3hrx h ALA 152 N 0.82 1.02 -0.01 3.86 0.00 -0.93 -0.37 119.26 123.65 3hrx h ALA 152 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hrx h ALA 152 Cb 1.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3hrx h ALA 152 CO 0.10 0.28 -0.14 1.96 0.00 0.00 0.00 179.25 181.45 3hrx h GLN 153 N 0.94 -0.22 -0.12 0.00 4.20 -0.93 -0.28 115.11 118.70 3hrx h GLN 153 Ca 0.31 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 3hrx h GLN 153 Cb 0.04 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hrx h GLN 153 CO -0.12 -0.15 0.06 1.49 -0.67 0.00 0.00 178.83 179.44 3hrx h GLU 154 N -0.23 0.18 -0.63 1.46 4.81 -1.37 -0.49 114.58 118.31 3hrx h GLU 154 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hrx h GLU 154 Cb 0.30 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3hrx h GLU 154 CO -0.15 0.26 0.35 -0.07 -0.73 0.00 0.00 179.01 178.68 3hrx h LEU 155 N 0.06 0.78 -0.02 1.64 3.38 -0.94 -1.32 115.31 118.89 3hrx h LEU 155 Ca 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hrx h LEU 155 Cb 0.14 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hrx h LEU 155 CO -0.00 0.65 -0.32 -0.07 0.09 0.00 0.00 178.44 178.79 3hrx h LEU 156 N 0.86 0.32 -0.33 1.67 3.38 -1.01 -0.70 115.31 119.50 3hrx h LEU 156 Ca 0.22 -0.72 -0.20 0.00 0.09 0.00 0.00 57.88 57.27 3hrx h LEU 156 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hrx h LEU 156 CO -0.04 1.00 -0.74 -0.07 0.09 0.00 0.00 178.44 178.68 3hrx h LEU 157 N -0.33 0.64 0.00 1.67 3.38 -1.11 -3.33 115.31 116.23 3hrx h LEU 157 Ca -0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hrx h LEU 157 Cb 1.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hrx h LEU 157 CO 0.06 1.18 -1.40 0.18 0.09 0.00 0.00 178.44 178.55 3hrx n LEU 158 N -3.87 0.58 -4.08 1.67 4.77 -0.50 -5.00 117.00 110.57 3hrx n LEU 158 Ca -0.05 -0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.30 3hrx n LEU 158 Cb 0.72 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 3hrx n LEU 158 CO 0.50 0.15 -0.28 -0.24 -1.33 0.00 0.00 177.39 176.18 3hrx n SER 159 N -1.80 -1.45 -4.80 -1.43 2.88 -0.27 -4.94 113.62 101.81 3hrx n SER 159 Ca 0.01 -1.18 -0.31 0.00 -1.33 0.00 0.00 58.87 56.06 3hrx n SER 159 Cb 0.42 -2.24 0.08 0.00 -0.75 0.00 0.00 64.21 61.73 3hrx n SER 159 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hrx s PRO 160 N -7.00 2.41 -0.40 -1.46 0.04 -1.26 -4.73 135.00 122.60 3hrx s PRO 160 Ca 0.19 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 3hrx s PRO 160 Cb -0.09 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3hrx s PRO 160 CO 0.95 -1.46 0.55 0.50 0.04 0.00 0.00 177.00 177.58 3hrx s ARG 161 N -5.05 3.39 -0.03 4.56 3.52 -1.26 -4.44 118.95 119.64 3hrx s ARG 161 Ca 0.60 -0.35 -0.19 0.00 -0.13 0.00 0.00 55.73 55.67 3hrx s ARG 161 Cb -0.15 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 3hrx s ARG 161 CO 0.55 -0.83 0.52 -0.51 -0.81 0.00 0.00 175.30 174.22 3hrx s LEU 162 N 2.52 4.39 0.86 -0.88 1.43 -0.05 -4.91 118.68 122.05 3hrx s LEU 162 Ca 0.19 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 3hrx s LEU 162 Cb -0.15 -2.78 0.11 0.00 0.03 0.00 0.00 46.19 43.39 3hrx s LEU 162 CO 0.16 0.13 1.15 -0.94 0.23 0.00 0.00 176.35 177.07 3hrx s SER 163 N -0.18 4.00 0.20 2.29 1.04 -1.26 -0.94 113.70 118.84 3hrx s SER 163 Ca 0.28 0.93 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 3hrx s SER 163 Cb -0.17 -1.50 0.13 0.00 0.10 0.00 0.00 66.02 64.58 3hrx s SER 163 CO 0.14 -2.24 1.80 0.00 0.98 0.00 0.00 173.24 173.93 3hrx h ALA 164 N -1.28 0.91 -0.77 5.32 0.00 -1.75 0.02 119.26 121.71 3hrx h ALA 164 Ca -0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3hrx h ALA 164 Cb 1.32 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3hrx h ALA 164 CO 0.63 0.45 0.37 0.93 0.00 0.00 0.00 179.25 181.63 3hrx h GLU 165 N 0.98 1.10 -0.63 0.00 3.07 -1.92 -0.31 114.58 116.87 3hrx h GLU 165 Ca 0.25 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 3hrx h GLU 165 Cb 0.07 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3hrx h GLU 165 CO -0.04 0.85 0.11 0.93 -1.40 0.00 0.00 179.01 179.47 3hrx h GLU 166 N 1.08 1.04 -0.77 2.33 5.08 -1.80 -2.42 114.58 119.12 3hrx h GLU 166 Ca 0.26 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hrx h GLU 166 Cb 0.11 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3hrx h GLU 166 CO -0.03 0.96 0.37 0.00 -1.00 0.00 0.00 179.01 179.31 3hrx h ALA 167 N 1.03 0.99 -0.53 3.43 0.00 -0.45 -2.60 119.26 121.14 3hrx h ALA 167 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hrx h ALA 167 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hrx h ALA 167 CO 0.01 0.56 0.33 1.25 0.00 0.00 0.00 179.25 181.40 3hrx h LEU 168 N 1.09 0.63 -1.43 0.00 5.85 -0.82 -0.85 115.31 119.78 3hrx h LEU 168 Ca 0.26 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hrx h LEU 168 Cb 0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hrx h LEU 168 CO -0.03 0.49 0.29 0.00 -0.34 0.00 0.00 178.44 178.85 3hrx h ALA 169 N 1.17 1.57 0.00 1.25 0.00 -1.10 -2.73 119.26 119.42 3hrx h ALA 169 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hrx h ALA 169 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hrx h ALA 169 CO -0.04 0.37 -0.54 -0.07 0.00 0.00 0.00 179.25 178.97 3hrx h LEU 170 N 0.69 0.00 0.00 0.00 3.38 -1.08 -3.47 115.31 114.82 3hrx h LEU 170 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hrx h LEU 170 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hrx h LEU 170 CO -0.03 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.49 3hrx n GLY 171 N 1.22 0.79 0.25 0.83 0.00 -0.55 -4.55 105.19 103.17 3hrx n GLY 171 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3hrx n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hrx h LEU 172 N 0.00 0.06 -8.30 0.99 3.38 -1.45 -3.43 115.31 106.55 3hrx h LEU 172 Ca 0.00 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 3hrx h LEU 172 Cb 0.00 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 40.56 3hrx h LEU 172 CO 0.00 0.14 -0.71 0.68 0.09 0.00 0.00 178.44 178.64 3hrx s VAL 173 N -4.89 0.58 -0.20 1.22 -7.23 -1.22 -4.87 120.40 103.79 3hrx s VAL 173 Ca -0.05 -1.55 0.22 0.00 -1.81 0.00 0.00 61.98 58.79 3hrx s VAL 173 Cb 0.16 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 3hrx s VAL 173 CO 0.69 -0.68 0.91 1.41 -0.31 0.00 0.00 175.10 177.12 3hrx n HIS 174 N 0.62 0.71 -3.59 2.82 8.25 0.14 -4.47 115.22 119.70 3hrx n HIS 174 Ca -0.17 0.21 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 3hrx n HIS 174 Cb 0.58 -0.83 -0.07 0.00 1.12 0.00 0.00 29.99 30.79 3hrx n HIS 174 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hrx s ARG 175 N -3.40 0.94 -0.07 -0.41 0.52 -1.16 -5.04 118.95 110.32 3hrx s ARG 175 Ca -0.02 0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 3hrx s ARG 175 Cb 0.11 0.44 -0.00 0.00 0.52 0.00 0.00 34.95 36.01 3hrx s ARG 175 CO 0.82 -0.28 -0.22 0.08 0.02 0.00 0.00 175.30 175.71 3hrx s VAL 176 N -1.20 1.88 0.08 3.52 1.01 -1.26 -1.26 120.40 123.17 3hrx s VAL 176 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3hrx s VAL 176 Cb -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3hrx s VAL 176 CO 0.08 0.52 -0.06 0.68 0.00 0.00 0.00 175.10 176.32 3hrx s VAL 177 N 0.15 0.55 0.38 2.92 -7.23 -0.33 -4.95 120.40 111.90 3hrx s VAL 177 Ca -0.11 -1.70 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 3hrx s VAL 177 Cb -0.15 -1.39 -0.11 0.00 0.56 0.00 0.00 36.38 35.29 3hrx s VAL 177 CO 0.06 -0.79 1.18 -2.65 -0.31 0.00 0.00 175.10 172.58 3hrx n PRO 178 N 0.34 1.76 -0.31 4.82 -0.02 -1.26 -0.51 135.00 139.83 3hrx n PRO 178 Ca -0.15 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3hrx n PRO 178 Cb 0.59 -2.21 0.36 0.00 -0.02 0.00 0.00 33.50 32.22 3hrx n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrx h ALA 179 N 2.06 1.79 0.00 3.55 0.00 -1.90 0.44 119.26 125.20 3hrx h ALA 179 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hrx h ALA 179 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hrx h ALA 179 CO 0.60 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 3hrx n GLU 180 N -4.62 0.14 0.00 0.00 0.00 -1.26 -3.08 120.64 111.83 3hrx n GLU 180 Ca 0.20 0.33 0.04 0.00 0.00 0.00 0.00 57.16 57.72 3hrx n GLU 180 Cb 0.51 -1.75 0.01 0.00 0.00 0.00 0.00 31.44 30.21 3hrx n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hrx n LYS 181 N -2.02 1.48 0.15 3.44 4.76 0.05 -4.79 118.16 121.23 3hrx n LYS 181 Ca 0.03 -0.67 -0.17 0.00 -2.87 0.00 0.00 58.31 54.63 3hrx n LYS 181 Cb 0.25 -1.05 -0.10 0.00 -1.84 0.00 0.00 35.03 32.29 3hrx n LYS 181 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hrx h LEU 182 N 1.06 -1.53 -1.34 -0.35 5.85 -1.23 -0.46 115.31 117.32 3hrx h LEU 182 Ca 0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hrx h LEU 182 Cb 0.27 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3hrx h LEU 182 CO 0.00 -0.57 0.25 0.24 -0.34 0.00 0.00 178.44 178.02 3hrx h MET 183 N -0.79 0.70 -0.13 1.25 2.86 -1.87 0.16 114.93 117.11 3hrx h MET 183 Ca -0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hrx h MET 183 Cb 0.77 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3hrx h MET 183 CO -0.24 0.54 0.06 1.49 1.06 0.00 0.00 176.91 179.83 3hrx h GLU 184 N 0.71 0.19 -0.42 1.72 4.81 -1.79 0.12 114.58 119.91 3hrx h GLU 184 Ca 0.18 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3hrx h GLU 184 Cb 0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hrx h GLU 184 CO -0.03 0.25 -0.12 0.93 -0.73 0.00 0.00 179.01 179.31 3hrx h GLU 185 N 0.09 0.83 -0.29 1.92 4.39 -0.72 -1.35 114.58 119.45 3hrx h GLU 185 Ca 0.05 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 3hrx h GLU 185 Cb 0.12 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3hrx h GLU 185 CO -0.01 0.95 0.09 0.00 -1.16 0.00 0.00 179.01 178.89 3hrx h ALA 186 N 0.85 0.38 -0.66 3.43 0.00 -0.56 -1.55 119.26 121.15 3hrx h ALA 186 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 186 Cb 0.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hrx h ALA 186 CO 0.05 0.02 0.07 1.25 0.00 0.00 0.00 179.25 180.64 3hrx h LEU 187 N 0.31 1.07 -0.48 0.00 5.85 -0.75 -0.35 115.31 120.97 3hrx h LEU 187 Ca 0.09 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3hrx h LEU 187 Cb 0.24 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hrx h LEU 187 CO -0.00 1.08 0.29 -1.28 -0.34 0.00 0.00 178.44 178.18 3hrx h SER 188 N 1.03 0.47 -0.39 1.25 0.87 -1.08 0.12 113.55 115.82 3hrx h SER 188 Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3hrx h SER 188 Cb 0.48 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3hrx h SER 188 CO 0.02 0.33 0.12 0.25 -0.53 0.00 0.00 176.83 177.02 3hrx h LEU 189 N 0.57 0.57 -0.87 2.23 5.85 -1.01 -2.24 115.31 120.43 3hrx h LEU 189 Ca 0.19 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hrx h LEU 189 Cb 0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3hrx h LEU 189 CO -0.08 0.63 0.56 0.00 -0.34 0.00 0.00 178.44 179.21 3hrx h ALA 190 N 0.96 1.10 -0.34 1.25 0.00 -0.59 -1.24 119.26 120.41 3hrx h ALA 190 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hrx h ALA 190 Cb 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hrx h ALA 190 CO -0.00 0.52 -0.12 0.87 0.00 0.00 0.00 179.25 180.52 3hrx h LYS 191 N 1.18 0.58 -0.47 0.00 1.57 -0.61 0.17 116.57 118.99 3hrx h LYS 191 Ca 0.32 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3hrx h LYS 191 Cb -0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3hrx h LYS 191 CO -0.07 0.69 0.08 0.93 -0.57 0.00 0.00 179.45 180.52 3hrx h GLU 192 N 0.54 0.78 -0.25 3.15 5.08 -0.78 -2.24 114.58 120.85 3hrx h GLU 192 Ca 0.10 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3hrx h GLU 192 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hrx h GLU 192 CO 0.03 0.78 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.55 3hrx h LEU 193 N 0.65 0.45 -1.84 1.33 3.38 -0.83 -2.15 115.31 116.30 3hrx h LEU 193 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hrx h LEU 193 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hrx h LEU 193 CO 0.01 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3hrx h ALA 194 N 1.38 1.00 -0.03 1.53 0.00 -0.08 -0.10 119.26 122.97 3hrx h ALA 194 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hrx h ALA 194 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hrx h ALA 194 CO 0.04 0.00 -0.04 1.04 0.00 0.00 0.00 179.25 180.29 3hrx n GLN 195 N -2.68 2.01 -1.99 0.00 1.13 -0.82 -4.74 117.38 110.29 3hrx n GLN 195 Ca -0.01 -1.74 -0.22 0.00 -1.94 0.00 0.00 57.00 53.09 3hrx n GLN 195 Cb 0.13 -1.42 0.13 0.00 0.11 0.00 0.00 30.24 29.19 3hrx n GLN 195 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hrx n GLY 196 N 1.25 -0.22 3.58 1.08 0.00 -0.05 -4.22 105.19 106.61 3hrx n GLY 196 Ca 0.13 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 3hrx n GLY 196 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hrx s PRO 197 N -5.01 3.29 0.34 1.61 0.04 -1.26 -4.32 135.00 129.69 3hrx s PRO 197 Ca 0.59 -1.49 0.14 0.00 0.04 0.00 0.00 61.00 60.28 3hrx s PRO 197 Cb -0.03 -5.38 1.03 0.00 0.04 0.00 0.00 34.50 30.16 3hrx s PRO 197 CO 0.40 -2.98 1.69 1.15 0.04 0.00 0.00 177.00 177.30 3hrx h THR 198 N 6.02 0.39 -0.33 1.26 2.02 -1.86 0.18 112.91 120.58 3hrx h THR 198 Ca 0.32 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 67.24 3hrx h THR 198 Cb 0.92 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hrx h THR 198 CO 1.35 0.08 -0.27 0.03 0.37 0.00 0.00 175.52 177.07 3hrx h ARG 199 N 0.41 0.69 -0.48 6.66 2.47 -1.87 -0.55 114.38 121.71 3hrx h ARG 199 Ca 0.70 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 59.08 3hrx h ARG 199 Cb 1.54 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.81 3hrx h ARG 199 CO -0.54 0.88 0.11 0.00 0.56 0.00 0.00 179.97 180.98 3hrx h ALA 200 N 1.11 0.64 -0.22 0.04 0.00 -1.09 -1.07 119.26 118.67 3hrx h ALA 200 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hrx h ALA 200 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hrx h ALA 200 CO 0.06 0.34 0.12 1.88 0.00 0.00 0.00 179.25 181.66 3hrx h TYR 201 N 0.66 0.29 -0.39 0.00 0.99 -1.11 -0.91 116.97 116.50 3hrx h TYR 201 Ca 0.15 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.91 3hrx h TYR 201 Cb 0.35 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 37.95 3hrx h TYR 201 CO 0.02 0.25 0.19 0.00 -0.00 0.00 0.00 178.16 178.62 3hrx h ALA 202 N 1.02 0.48 0.00 3.88 0.00 -0.88 -1.42 119.26 122.33 3hrx h ALA 202 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3hrx h ALA 202 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hrx h ALA 202 CO -0.01 -0.17 -0.66 -0.07 0.00 0.00 0.00 179.25 178.34 3hrx h LEU 203 N 0.39 0.00 -0.60 0.00 3.38 -1.10 -2.69 115.31 114.69 3hrx h LEU 203 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3hrx h LEU 203 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hrx h LEU 203 CO -0.12 0.66 -0.25 0.74 0.09 0.00 0.00 178.44 179.56 3hrx h THR 204 N 0.00 1.27 -0.63 0.22 2.02 -0.85 -2.40 112.91 112.54 3hrx h THR 204 Ca -0.01 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 3hrx h THR 204 Cb 1.17 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3hrx h THR 204 CO 0.09 0.47 0.28 0.11 0.37 0.00 0.00 175.52 176.84 3hrx h LYS 205 N 0.72 0.91 -0.50 6.66 1.57 -1.09 -1.35 116.57 123.48 3hrx h LYS 205 Ca 0.09 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3hrx h LYS 205 Cb 0.79 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3hrx h LYS 205 CO 0.07 0.72 0.14 0.87 -0.57 0.00 0.00 179.45 180.67 3hrx h LYS 206 N 0.90 0.80 -0.44 3.15 1.57 -1.17 -0.63 116.57 120.75 3hrx h LYS 206 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hrx h LYS 206 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3hrx h LYS 206 CO -0.03 0.76 0.21 -0.07 -0.57 0.00 0.00 179.45 179.76 3hrx h LEU 207 N 0.69 0.58 -0.48 2.94 3.38 -0.97 -3.09 115.31 118.36 3hrx h LEU 207 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hrx h LEU 207 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hrx h LEU 207 CO -0.00 0.55 0.07 -0.07 0.09 0.00 0.00 178.44 179.08 3hrx h LEU 208 N 0.58 0.77 -1.46 1.67 3.38 -1.07 -2.32 115.31 116.86 3hrx h LEU 208 Ca 0.15 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3hrx h LEU 208 Cb 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3hrx h LEU 208 CO -0.02 0.84 0.47 0.25 0.09 0.00 0.00 178.44 180.06 3hrx h LEU 209 N 0.67 0.56 -1.28 1.67 5.85 -1.03 -2.97 115.31 118.78 3hrx h LEU 209 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hrx h LEU 209 Cb 0.40 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hrx h LEU 209 CO 0.01 0.34 -0.10 1.21 -0.34 0.00 0.00 178.44 179.56 3hrx n GLU 210 N -4.49 1.28 -0.35 1.25 2.13 -1.20 -4.75 120.64 114.51 3hrx n GLU 210 Ca 0.11 -1.10 0.14 0.00 0.66 0.00 0.00 57.16 56.96 3hrx n GLU 210 Cb 0.32 -1.24 0.33 0.00 0.27 0.00 0.00 31.44 31.12 3hrx n GLU 210 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hrx h THR 211 N 2.27 0.66 0.00 6.31 1.03 -1.24 -2.78 112.91 119.16 3hrx h THR 211 Ca 0.00 -0.24 -0.06 0.00 -0.01 0.00 0.00 66.41 66.10 3hrx h THR 211 Cb 0.53 -0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.50 3hrx h THR 211 CO 0.00 0.13 -0.27 1.88 -0.01 0.00 0.00 175.52 177.25 3hrx h TYR 212 N 0.70 0.00 -0.01 0.00 -1.99 -1.85 -2.77 116.97 111.05 3hrx h TYR 212 Ca 0.58 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.31 3hrx h TYR 212 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 3hrx h TYR 212 CO -0.02 0.27 -0.18 2.89 -0.00 0.00 0.00 178.16 181.12 3hrx n ARG 213 N -3.99 0.89 -3.48 4.88 1.85 -1.05 -4.92 116.66 110.84 3hrx n ARG 213 Ca -0.02 -0.47 -0.36 0.00 -1.00 0.00 0.00 57.85 56.01 3hrx n ARG 213 Cb 0.34 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.20 3hrx n ARG 213 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hrx s LEU 214 N -2.43 4.39 0.70 2.89 1.43 -1.05 -5.08 118.68 119.53 3hrx s LEU 214 Ca 0.27 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 3hrx s LEU 214 Cb 0.20 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3hrx s LEU 214 CO 0.48 0.20 1.07 -0.94 0.23 0.00 0.00 176.35 177.39 3hrx s SER 215 N -1.55 5.43 0.21 2.29 1.04 -1.26 -4.83 113.70 115.03 3hrx s SER 215 Ca 0.32 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 3hrx s SER 215 Cb -0.15 -2.26 0.20 0.00 0.10 0.00 0.00 66.02 63.91 3hrx s SER 215 CO 0.17 -1.38 1.84 0.25 0.98 0.00 0.00 173.24 175.10 3hrx h LEU 216 N -0.68 0.69 -0.70 2.42 5.85 -1.98 -0.94 115.31 119.99 3hrx h LEU 216 Ca -0.45 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.34 3hrx h LEU 216 Cb 1.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3hrx h LEU 216 CO 0.60 0.47 0.39 0.74 -0.34 0.00 0.00 178.44 180.30 3hrx h THR 217 N 0.83 0.96 -0.12 1.05 2.02 -1.99 0.60 112.91 116.25 3hrx h THR 217 Ca 0.29 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 3hrx h THR 217 Cb 0.05 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3hrx h THR 217 CO -0.12 0.13 -0.59 -0.08 0.37 0.00 0.00 175.52 175.23 3hrx h GLU 218 N 0.70 0.38 -0.61 6.66 4.81 -1.79 -2.25 114.58 122.48 3hrx h GLU 218 Ca 0.32 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3hrx h GLU 218 Cb 0.22 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3hrx h GLU 218 CO -0.20 0.86 0.14 0.00 -0.73 0.00 0.00 179.01 179.08 3hrx h ALA 219 N 1.08 0.81 -0.51 2.92 0.00 -0.40 -0.82 119.26 122.34 3hrx h ALA 219 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3hrx h ALA 219 Cb 1.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hrx h ALA 219 CO 0.10 0.53 0.02 -0.07 0.00 0.00 0.00 179.25 179.84 3hrx h LEU 220 N 0.90 0.80 -0.45 0.00 3.38 -0.78 -0.03 115.31 119.14 3hrx h LEU 220 Ca 0.19 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hrx h LEU 220 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hrx h LEU 220 CO 0.00 0.85 -0.03 0.00 0.09 0.00 0.00 178.44 179.36 3hrx h ALA 221 N 1.24 0.61 -0.46 1.53 0.00 -1.09 -1.28 119.26 119.81 3hrx h ALA 221 Ca 0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hrx h ALA 221 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hrx h ALA 221 CO 0.02 0.43 0.05 1.25 0.00 0.00 0.00 179.25 181.00 3hrx h LEU 222 N 0.66 0.76 -0.37 0.00 5.85 -0.86 -1.38 115.31 119.97 3hrx h LEU 222 Ca 0.12 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hrx h LEU 222 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hrx h LEU 222 CO 0.03 0.84 0.22 -0.33 -0.34 0.00 0.00 178.44 178.86 3hrx h GLU 223 N 0.65 0.43 -0.37 1.25 5.08 -0.88 -0.48 114.58 120.25 3hrx h GLU 223 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hrx h GLU 223 Cb 0.42 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3hrx h GLU 223 CO 0.01 0.28 0.23 0.00 -1.00 0.00 0.00 179.01 178.54 3hrx h ALA 224 N 1.16 0.47 -0.32 3.43 0.00 -1.04 0.27 119.26 123.24 3hrx h ALA 224 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hrx h ALA 224 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hrx h ALA 224 CO -0.07 -0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.54 3hrx h VAL 225 N 0.49 1.19 -0.10 0.00 2.07 -1.01 -1.09 116.25 117.80 3hrx h VAL 225 Ca 0.13 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 3hrx h VAL 225 Cb -0.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hrx h VAL 225 CO -0.03 0.20 -0.59 -0.07 0.02 0.00 0.00 177.57 177.10 3hrx h LEU 226 N 0.37 0.37 -1.07 2.57 3.38 -0.92 -2.58 115.31 117.43 3hrx h LEU 226 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3hrx h LEU 226 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hrx h LEU 226 CO -0.01 0.87 -0.20 -0.61 0.09 0.00 0.00 178.44 178.58 3hrx h GLN 227 N 0.25 0.42 -0.69 1.13 5.75 -0.34 0.04 115.11 121.66 3hrx h GLN 227 Ca -0.00 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3hrx h GLN 227 Cb 1.10 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.56 3hrx h GLN 227 CO 0.10 0.61 0.40 0.78 -2.65 0.00 0.00 178.83 178.06 3hrx h GLY 228 N 0.97 1.01 0.72 2.39 0.00 -0.81 0.38 103.07 107.72 3hrx h GLY 228 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3hrx h GLY 228 CO 0.04 0.20 -0.04 1.46 0.00 0.00 0.00 176.54 178.20 3hrx h GLN 229 N 0.75 0.22 -0.89 4.80 4.20 -1.09 -3.07 115.11 120.02 3hrx h GLN 229 Ca 0.30 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.93 3hrx h GLN 229 Cb 0.14 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3hrx h GLN 229 CO -0.16 0.54 0.59 0.00 -0.67 0.00 0.00 178.83 179.13 3hrx h ALA 230 N 0.67 1.14 0.00 3.87 0.00 -0.59 -2.18 119.26 122.17 3hrx h ALA 230 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hrx h ALA 230 Cb 0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hrx h ALA 230 CO 0.01 0.53 -0.02 0.78 0.00 0.00 0.00 179.25 180.55 3hrx h GLY 231 N 1.21 0.00 0.13 0.00 0.00 -0.22 -2.13 103.07 102.06 3hrx h GLY 231 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3hrx h GLY 231 CO -0.07 0.00 -0.29 -1.06 0.00 0.00 0.00 176.54 175.12 3hrx n GLN 232 N -3.42 0.85 -2.14 4.80 1.13 -0.82 -4.78 117.38 113.01 3hrx n GLN 232 Ca -0.02 -0.53 -0.33 0.00 -1.94 0.00 0.00 57.00 54.17 3hrx n GLN 232 Cb 0.13 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.99 3hrx n GLN 232 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hrx s THR 233 N -2.51 3.62 0.35 5.09 -4.23 -0.80 -4.94 115.64 112.21 3hrx s THR 233 Ca 0.23 0.85 0.04 0.00 -1.18 0.00 0.00 61.69 61.63 3hrx s THR 233 Cb 0.19 -3.34 0.19 0.00 1.34 0.00 0.00 72.50 70.88 3hrx s THR 233 CO 0.53 -0.37 1.92 -0.61 -0.54 0.00 0.00 174.62 175.55 3hrx h GLN 234 N 0.72 0.58 -0.40 3.99 4.15 -1.12 -2.62 115.11 120.41 3hrx h GLN 234 Ca -0.48 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 58.79 3hrx h GLN 234 Cb 1.23 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3hrx h GLN 234 CO 0.57 0.53 0.03 -0.44 -1.93 0.00 0.00 178.83 177.59 3hrx h ASP 235 N 0.57 0.59 -0.51 -0.69 3.45 -1.92 -1.29 116.42 116.61 3hrx h ASP 235 Ca 0.13 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3hrx h ASP 235 Cb 0.21 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 3hrx h ASP 235 CO -0.00 0.64 -0.12 -0.74 -1.57 0.00 0.00 179.24 177.45 3hrx h HIS 236 N 0.60 1.11 -0.37 4.55 2.76 -1.70 0.25 115.15 122.36 3hrx h HIS 236 Ca 0.13 -0.23 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 3hrx h HIS 236 Cb 0.34 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hrx h HIS 236 CO 0.01 1.04 0.13 1.49 -1.30 0.00 0.00 177.93 179.30 3hrx h GLU 237 N 0.88 0.56 -0.71 5.26 4.81 -1.40 -1.80 114.58 122.19 3hrx h GLU 237 Ca 0.14 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3hrx h GLU 237 Cb 0.68 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3hrx h GLU 237 CO 0.05 0.57 0.25 1.49 -0.73 0.00 0.00 179.01 180.64 3hrx h GLU 238 N 0.44 1.08 -0.56 1.92 4.57 -1.03 0.02 114.58 121.02 3hrx h GLU 238 Ca 0.12 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3hrx h GLU 238 Cb 0.23 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3hrx h GLU 238 CO -0.01 0.91 0.32 0.78 -1.18 0.00 0.00 179.01 179.83 3hrx h GLY 239 N 1.02 0.79 0.93 1.92 0.00 -0.18 0.43 103.07 107.98 3hrx h GLY 239 Ca 0.23 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3hrx h GLY 239 CO -0.01 0.19 -0.41 -2.08 0.00 0.00 0.00 176.54 174.23 3hrx h VAL 240 N 0.64 1.33 -0.62 4.60 2.07 -1.12 -2.40 116.25 120.75 3hrx h VAL 240 Ca 0.23 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3hrx h VAL 240 Cb 0.06 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3hrx h VAL 240 CO -0.12 0.51 0.29 0.03 0.02 0.00 0.00 177.57 178.30 3hrx h ARG 241 N 0.29 0.89 -0.27 1.57 -0.00 -0.70 -0.82 114.38 115.34 3hrx h ARG 241 Ca 0.00 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.98 59.30 3hrx h ARG 241 Cb 1.01 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.81 3hrx h ARG 241 CO 0.09 0.72 -0.04 0.00 0.00 0.00 0.00 179.97 180.74 3hrx h ALA 242 N 1.12 1.43 -0.14 0.04 0.00 -0.16 -1.43 119.26 120.13 3hrx h ALA 242 Ca 0.21 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3hrx h ALA 242 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hrx h ALA 242 CO -0.03 0.40 -0.67 0.35 0.00 0.00 0.00 179.25 179.30 3hrx h PHE 243 N 0.39 0.73 0.00 0.00 3.04 -0.88 -0.70 116.94 119.52 3hrx h PHE 243 Ca 0.08 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.74 3hrx h PHE 243 Cb 0.34 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3hrx h PHE 243 CO 0.01 1.07 0.00 0.54 -2.02 0.00 0.00 178.31 177.91 3hrx n ARG 244 N -3.91 0.07 -0.31 1.11 1.74 -0.36 -2.82 116.66 112.17 3hrx n ARG 244 Ca -0.05 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 3hrx n ARG 244 Cb 0.68 -1.59 0.20 0.00 -1.02 0.00 0.00 32.46 30.73 3hrx n ARG 244 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hrx n GLU 245 N -1.71 2.78 -4.06 5.56 1.02 -0.58 -4.97 120.64 118.68 3hrx n GLU 245 Ca 0.06 -2.51 -0.33 0.00 -0.02 0.00 0.00 57.16 54.35 3hrx n GLU 245 Cb 0.32 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 3hrx n GLU 245 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hrx n LYS 246 N -0.28 -1.72 -4.29 3.49 -0.00 -0.99 -4.92 118.16 109.45 3hrx n LYS 246 Ca 0.17 0.19 -0.17 0.00 -0.00 0.00 0.00 58.31 58.50 3hrx n LYS 246 Cb 0.70 -4.79 -0.10 0.00 -0.00 0.00 0.00 35.03 30.84 3hrx n LYS 246 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hrx s ARG 247 N -6.72 1.18 0.26 -1.58 1.70 -0.30 -5.05 118.95 108.44 3hrx s ARG 247 Ca 0.65 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 3hrx s ARG 247 Cb -0.37 -0.89 -0.10 0.00 -0.57 0.00 0.00 34.95 33.02 3hrx s ARG 247 CO 0.80 0.14 1.38 -2.14 -1.08 0.00 0.00 175.30 174.40 3hrx s PRO 248 N -3.58 4.31 0.48 3.89 0.02 -1.26 -4.31 135.00 134.55 3hrx s PRO 248 Ca 0.18 2.24 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 3hrx s PRO 248 Cb 0.00 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 3hrx s PRO 248 CO 0.04 -0.33 1.04 -1.25 -0.33 0.00 0.00 177.00 176.17 3hrx s PRO 249 N -0.69 3.85 -0.69 5.54 0.04 -1.26 -4.94 135.00 136.84 3hrx s PRO 249 Ca 0.56 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3hrx s PRO 249 Cb -0.40 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.16 3hrx s PRO 249 CO 0.45 -0.40 0.50 1.03 0.04 0.00 0.00 177.00 178.62 3hrx s ARG 250 N -3.15 2.60 0.52 4.56 0.52 -1.26 -5.09 118.95 117.65 3hrx s ARG 250 Ca 0.66 -2.92 -0.19 0.00 -0.52 0.00 0.00 55.73 52.76 3hrx s ARG 250 Cb -0.17 -3.63 -0.07 0.00 0.52 0.00 0.00 34.95 31.60 3hrx s ARG 250 CO 0.21 -1.21 1.04 -0.06 0.02 0.00 0.00 175.30 175.30 3hrx s PHE 251 N -0.74 3.04 0.00 -0.53 2.99 -1.26 -4.98 117.98 116.49 3hrx s PHE 251 Ca 0.21 1.55 0.00 0.00 0.00 0.00 0.00 56.93 58.69 3hrx s PHE 251 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 43.02 39.85 3hrx s PHE 251 CO -0.08 -0.86 0.17 1.04 -0.00 0.00 0.00 175.22 175.49 3hrx n GLN 252 N -1.33 1.41 -1.78 0.44 6.02 -1.26 -4.86 117.38 116.02 3hrx n GLN 252 Ca 0.09 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3hrx n GLN 252 Cb 0.53 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.20 3hrx n GLN 252 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hrx n GLY 253 N 0.25 0.79 0.00 1.08 0.00 -1.26 -4.94 105.19 101.11 3hrx n GLY 253 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3hrx n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36