#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mt0 n ASN -1 N 0.00 1.74 -0.73 4.04 6.94 -1.26 -4.10 115.26 121.89 3mt0 n ASN -1 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.52 3mt0 n ASN -1 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 3mt0 n ASN -1 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mt0 n ALA 0 N -1.01 1.29 0.00 -2.53 0.00 -1.26 -1.69 120.51 115.31 3mt0 n ALA 0 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3mt0 n ALA 0 Cb 0.70 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3mt0 n ALA 0 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3mt0 n GLN 2 N 0.70 0.00 0.06 0.00 -0.06 -1.26 -3.37 117.38 113.45 3mt0 n GLN 2 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 3mt0 n GLN 2 Cb 0.02 0.00 0.46 0.00 -4.06 0.00 0.00 30.24 26.66 3mt0 n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3mt0 n ALA 3 N 0.00 1.99 -2.62 1.69 0.00 -0.68 -4.64 120.51 116.25 3mt0 n ALA 3 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 3mt0 n ALA 3 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 3mt0 n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mt0 s ILE 4 N -3.10 4.55 -0.64 0.00 1.01 -1.22 -4.91 121.20 116.89 3mt0 s ILE 4 Ca 0.09 1.40 0.21 0.00 0.00 0.00 0.00 60.65 62.35 3mt0 s ILE 4 Cb 0.13 -4.37 -0.27 0.00 0.01 0.00 0.00 42.46 37.96 3mt0 s ILE 4 CO 0.45 -0.52 0.74 0.54 0.00 0.00 0.00 174.94 176.15 3mt0 n ARG 5 N 6.83 0.27 -3.81 2.79 5.12 -1.26 -4.59 116.66 122.01 3mt0 n ARG 5 Ca 0.09 -0.07 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 3mt0 n ARG 5 Cb 0.48 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.14 3mt0 n ARG 5 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3mt0 s SER 6 N -3.55 -0.13 -0.10 0.55 0.15 -1.26 -1.07 113.70 108.30 3mt0 s SER 6 Ca 0.02 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.98 3mt0 s SER 6 Cb 0.15 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3mt0 s SER 6 CO 0.88 -0.07 -0.23 -0.63 1.20 0.00 0.00 173.24 174.38 3mt0 s ILE 7 N 0.36 2.11 -0.27 6.45 1.01 0.08 -0.97 121.20 129.97 3mt0 s ILE 7 Ca -0.02 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 3mt0 s ILE 7 Cb -0.04 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3mt0 s ILE 7 CO -0.01 0.56 0.58 -0.22 0.00 0.00 0.00 174.94 175.84 3mt0 s LEU 8 N 0.34 4.08 -0.31 2.97 2.96 0.39 -1.18 118.68 127.94 3mt0 s LEU 8 Ca -0.18 0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3mt0 s LEU 8 Cb -0.18 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3mt0 s LEU 8 CO 0.09 -0.36 0.12 -0.69 -1.32 0.00 0.00 176.35 174.19 3mt0 s VAL 9 N 2.44 4.21 -0.39 1.68 1.01 0.01 -0.59 120.40 128.78 3mt0 s VAL 9 Ca 0.24 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3mt0 s VAL 9 Cb -0.15 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3mt0 s VAL 9 CO 0.09 0.03 1.08 -0.69 0.00 0.00 0.00 175.10 175.61 3mt0 s VAL 10 N 1.53 4.40 -0.24 2.92 1.01 -0.35 -1.33 120.40 128.34 3mt0 s VAL 10 Ca 0.03 1.45 -0.10 0.00 0.00 0.00 0.00 61.98 63.36 3mt0 s VAL 10 Cb -0.17 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 3mt0 s VAL 10 CO 0.04 -0.70 0.16 -0.63 0.00 0.00 0.00 175.10 173.97 3mt0 s ILE 11 N 3.95 5.31 -0.03 2.22 -1.09 0.02 -4.65 121.20 126.93 3mt0 s ILE 11 Ca 0.45 0.16 -0.16 0.00 -2.23 0.00 0.00 60.65 58.87 3mt0 s ILE 11 Cb -0.10 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 3mt0 s ILE 11 CO 0.22 0.34 0.44 -1.61 -1.23 0.00 0.00 174.94 173.10 3mt0 s GLU 12 N 1.12 4.08 0.15 2.79 0.41 -1.26 -4.41 118.70 121.59 3mt0 s GLU 12 Ca 0.07 0.45 0.08 0.00 -0.41 0.00 0.00 54.97 55.16 3mt0 s GLU 12 Cb -0.14 -3.29 -0.10 0.00 -1.78 0.00 0.00 34.13 28.82 3mt0 s GLU 12 CO 0.05 0.52 1.34 -1.00 -0.49 0.00 0.00 175.26 175.69 3mt0 h PRO 13 N 5.31 0.00 0.00 0.39 0.13 -1.98 -3.40 132.00 132.45 3mt0 h PRO 13 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mt0 h PRO 13 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mt0 h PRO 13 CO 0.66 0.92 -0.09 -0.25 -0.23 0.00 0.00 178.00 179.01 3mt0 n ASP 14 N -3.43 1.90 -4.95 1.44 8.00 -1.26 -5.05 116.55 113.19 3mt0 n ASP 14 Ca -0.00 -2.87 -0.20 0.00 0.71 0.00 0.00 54.79 52.44 3mt0 n ASP 14 Cb 0.88 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 3mt0 n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3mt0 s GLN 15 N -2.31 2.98 0.00 -1.24 -1.52 -1.26 -5.02 119.66 111.29 3mt0 s GLN 15 Ca 0.26 -1.12 0.23 0.00 -1.95 0.00 0.00 55.36 52.78 3mt0 s GLN 15 Cb 0.22 -2.70 0.31 0.00 -0.22 0.00 0.00 33.01 30.62 3mt0 s GLN 15 CO 0.02 0.06 1.32 1.28 -0.25 0.00 0.00 175.29 177.72 3mt0 n LEU 16 N -1.56 3.21 -4.31 2.90 4.77 -1.26 -4.88 117.00 115.86 3mt0 n LEU 16 Ca -0.00 -1.27 -0.26 0.00 -0.03 0.00 0.00 56.01 54.44 3mt0 n LEU 16 Cb 0.59 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3mt0 n LEU 16 CO 0.42 0.63 -0.54 -1.61 -1.33 0.00 0.00 177.39 174.96 3mt0 s GLU 17 N -1.68 1.33 -0.42 3.23 2.02 -1.26 -5.07 118.70 116.85 3mt0 s GLU 17 Ca 0.33 -1.15 0.10 0.00 0.02 0.00 0.00 54.97 54.27 3mt0 s GLU 17 Cb 0.21 -1.62 0.36 0.00 0.10 0.00 0.00 34.13 33.18 3mt0 s GLU 17 CO 0.30 0.39 0.83 0.41 0.02 0.00 0.00 175.26 177.21 3mt0 n GLY 18 N 1.29 4.05 0.18 -1.39 0.00 -1.26 -4.94 105.19 103.13 3mt0 n GLY 18 Ca -0.18 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 43.89 3mt0 n GLY 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mt0 h LEU 19 N 2.98 0.00 -0.12 0.99 -0.00 -1.97 -2.87 115.31 114.33 3mt0 h LEU 19 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3mt0 h LEU 19 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 3mt0 h LEU 19 CO 0.60 0.40 0.07 0.00 -0.00 0.00 0.00 178.44 179.50 3mt0 h ALA 20 N 1.60 0.15 -0.49 1.53 0.00 -1.91 -0.64 119.26 119.51 3mt0 h ALA 20 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3mt0 h ALA 20 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3mt0 h ALA 20 CO 0.05 -0.33 0.04 1.25 0.00 0.00 0.00 179.25 180.26 3mt0 h LEU 21 N 0.11 0.75 -0.41 0.00 5.85 -1.85 -1.60 115.31 118.16 3mt0 h LEU 21 Ca 0.04 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3mt0 h LEU 21 Cb 0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3mt0 h LEU 21 CO -0.01 0.80 0.24 0.11 -0.34 0.00 0.00 178.44 179.24 3mt0 h LYS 22 N 0.75 0.56 -0.61 1.25 1.79 -1.23 0.12 116.57 119.20 3mt0 h LYS 22 Ca 0.15 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 3mt0 h LYS 22 Cb 0.40 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 3mt0 h LYS 22 CO 0.01 0.43 0.30 0.00 -1.08 0.00 0.00 179.45 179.11 3mt0 h ARG 23 N 0.54 0.87 -0.75 3.15 2.47 -0.96 -1.66 114.38 118.03 3mt0 h ARG 23 Ca 0.15 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3mt0 h ARG 23 Cb 0.02 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.14 3mt0 h ARG 23 CO -0.03 0.69 0.45 0.00 0.56 0.00 0.00 179.97 181.65 3mt0 h ALA 24 N 1.13 0.96 -0.84 0.04 0.00 -0.88 -1.46 119.26 118.21 3mt0 h ALA 24 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3mt0 h ALA 24 Cb 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3mt0 h ALA 24 CO -0.03 0.43 0.40 1.96 0.00 0.00 0.00 179.25 182.01 3mt0 h GLN 25 N 1.02 1.22 0.04 0.00 4.20 -0.53 -0.04 115.11 121.03 3mt0 h GLN 25 Ca 0.27 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3mt0 h GLN 25 Cb -0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.53 3mt0 h GLN 25 CO -0.05 0.94 -0.02 1.25 -0.67 0.00 0.00 178.83 180.28 3mt0 h LEU 26 N 1.20 -0.04 0.50 1.46 5.85 -0.88 -0.79 115.31 122.61 3mt0 h LEU 26 Ca 0.29 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mt0 h LEU 26 Cb 0.13 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3mt0 h LEU 26 CO -0.03 0.14 -0.24 0.40 -0.34 0.00 0.00 178.44 178.37 3mt0 h ILE 27 N -0.23 0.51 0.00 4.05 2.04 -1.16 -2.95 117.51 119.78 3mt0 h ILE 27 Ca -0.00 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3mt0 h ILE 27 Cb 0.21 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3mt0 h ILE 27 CO 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 178.15 178.05 3mt0 h ALA 28 N -0.20 1.08 -0.10 1.87 0.00 -1.05 -0.05 119.26 120.81 3mt0 h ALA 28 Ca -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mt0 h ALA 28 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mt0 h ALA 28 CO 0.11 0.15 0.07 0.78 0.00 0.00 0.00 179.25 180.36 3mt0 h GLY 29 N 1.59 0.11 0.05 0.00 0.00 -0.95 0.15 103.07 104.03 3mt0 h GLY 29 Ca -0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 47.33 46.90 3mt0 h GLY 29 CO 0.02 0.04 -2.15 -0.62 0.00 0.00 0.00 176.54 173.83 3mt0 n VAL 30 N -4.52 1.55 0.65 4.60 0.31 -0.59 -4.60 118.33 115.73 3mt0 n VAL 30 Ca -0.01 -0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.10 3mt0 n VAL 30 Cb 0.11 -1.84 0.25 0.00 -0.91 0.00 0.00 33.84 31.45 3mt0 n VAL 30 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3mt0 n THR 31 N -4.08 0.35 -1.97 2.52 -2.24 -0.13 -4.93 114.28 103.80 3mt0 n THR 31 Ca -0.45 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 60.89 3mt0 n THR 31 Cb 0.86 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3mt0 n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mt0 n GLN 32 N -2.05 -1.58 -1.74 -0.78 6.02 0.54 -4.97 117.38 112.82 3mt0 n GLN 32 Ca 0.04 1.08 -0.38 0.00 -0.01 0.00 0.00 57.00 57.73 3mt0 n GLN 32 Cb 0.42 -5.58 0.05 0.00 1.02 0.00 0.00 30.24 26.15 3mt0 n GLN 32 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3mt0 n SER 33 N -1.61 2.44 -4.77 1.08 7.64 -1.26 -4.90 113.62 112.25 3mt0 n SER 33 Ca -0.22 0.92 -0.37 0.00 1.01 0.00 0.00 58.87 60.22 3mt0 n SER 33 Cb 0.67 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 3mt0 n SER 33 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3mt0 s HIS 34 N -1.32 2.91 -0.18 1.43 2.46 -0.23 -4.61 115.29 115.75 3mt0 s HIS 34 Ca 0.76 1.55 -0.01 0.00 0.47 0.00 0.00 55.06 57.82 3mt0 s HIS 34 Cb -0.40 -3.35 -0.01 0.00 -0.13 0.00 0.00 32.58 28.69 3mt0 s HIS 34 CO 0.46 -1.41 -0.11 -0.51 -2.47 0.00 0.00 174.74 170.70 3mt0 s LEU 35 N -3.02 2.67 -0.27 8.88 1.43 0.14 -0.74 118.68 127.77 3mt0 s LEU 35 Ca 0.63 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3mt0 s LEU 35 Cb -0.28 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3mt0 s LEU 35 CO 0.34 0.05 0.02 -2.28 0.23 0.00 0.00 176.35 174.71 3mt0 s HIS 36 N 1.01 3.10 -0.15 0.29 5.65 -0.33 -1.13 115.29 123.73 3mt0 s HIS 36 Ca -0.01 -1.16 -0.17 0.00 0.25 0.00 0.00 55.06 53.97 3mt0 s HIS 36 Cb -0.15 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 29.04 3mt0 s HIS 36 CO -0.02 -0.62 0.42 -0.51 -0.65 0.00 0.00 174.74 173.36 3mt0 s LEU 37 N 1.44 4.24 -0.11 8.88 1.43 0.39 -0.81 118.68 134.14 3mt0 s LEU 37 Ca 0.02 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3mt0 s LEU 37 Cb -0.17 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.48 3mt0 s LEU 37 CO -0.00 -0.00 -0.17 -0.22 0.23 0.00 0.00 176.35 176.18 3mt0 s LEU 38 N 0.78 1.83 -0.17 1.79 2.96 -0.44 -0.78 118.68 124.64 3mt0 s LEU 38 Ca 0.22 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3mt0 s LEU 38 Cb -0.14 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3mt0 s LEU 38 CO 0.08 0.05 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.47 3mt0 s VAL 39 N 0.83 4.12 -0.67 1.68 1.01 -0.51 -0.80 120.40 126.06 3mt0 s VAL 39 Ca -0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3mt0 s VAL 39 Cb -0.16 -2.83 0.17 0.00 0.00 0.00 0.00 36.38 33.56 3mt0 s VAL 39 CO 0.01 0.47 0.57 0.00 0.00 0.00 0.00 175.10 176.14 3mt0 s GLU 41 N 0.62 0.86 -0.23 0.00 2.12 -0.73 -4.98 118.70 116.36 3mt0 s GLU 41 Ca 0.13 0.35 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 3mt0 s GLU 41 Cb -0.19 0.41 -0.18 0.00 0.26 0.00 0.00 34.13 34.43 3mt0 s GLU 41 CO -0.04 -0.24 -0.06 1.17 -0.54 0.00 0.00 175.26 175.55 3mt0 n LYS 42 N 1.20 0.64 0.14 4.30 4.81 -1.26 -4.34 118.16 123.66 3mt0 n LYS 42 Ca -0.15 0.27 -0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3mt0 n LYS 42 Cb 0.57 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 3mt0 n LYS 42 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3mt0 h ARG 43 N -0.42 -0.36 -6.98 1.64 2.43 -1.99 -3.45 114.38 105.25 3mt0 h ARG 43 Ca -0.54 0.02 -0.45 0.00 -0.81 0.00 0.00 59.98 58.20 3mt0 h ARG 43 Cb 1.76 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 3mt0 h ARG 43 CO -0.16 -0.24 0.32 1.03 -1.51 0.00 0.00 179.97 179.41 3mt0 s ARG 44 N -3.19 4.33 -0.61 0.20 0.52 -1.26 -4.99 118.95 113.94 3mt0 s ARG 44 Ca -0.05 1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 56.08 3mt0 s ARG 44 Cb 0.01 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.13 3mt0 s ARG 44 CO 0.16 0.09 0.95 0.34 0.02 0.00 0.00 175.30 176.85 3mt0 s ASP 45 N -2.00 6.23 -0.02 0.23 3.68 -1.26 -4.88 116.67 118.66 3mt0 s ASP 45 Ca 0.57 -0.74 0.13 0.00 2.13 0.00 0.00 52.55 54.65 3mt0 s ASP 45 Cb -0.12 -2.42 0.42 0.00 -1.45 0.00 0.00 42.92 39.35 3mt0 s ASP 45 CO 0.17 -1.35 1.33 1.41 0.13 0.00 0.00 175.17 176.86 3mt0 n HIS 46 N 7.58 0.73 -0.19 -5.34 8.25 -1.26 -4.56 115.22 120.43 3mt0 n HIS 46 Ca -0.02 -0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 57.04 3mt0 n HIS 46 Cb 0.46 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.53 3mt0 n HIS 46 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3mt0 h SER 47 N 2.65 0.68 -0.49 0.41 4.64 -1.99 -0.13 113.55 119.32 3mt0 h SER 47 Ca 0.00 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3mt0 h SER 47 Cb 0.75 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3mt0 h SER 47 CO 0.05 0.59 0.18 0.00 -0.87 0.00 0.00 176.83 176.78 3mt0 h ALA 48 N 1.11 0.64 -0.59 5.18 0.00 -2.00 -0.20 119.26 123.41 3mt0 h ALA 48 Ca 0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mt0 h ALA 48 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mt0 h ALA 48 CO -0.03 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.63 3mt0 h ALA 49 N 1.03 0.78 -0.64 0.00 0.00 -1.81 -1.38 119.26 117.24 3mt0 h ALA 49 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3mt0 h ALA 49 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3mt0 h ALA 49 CO -0.01 0.50 0.26 -0.07 0.00 0.00 0.00 179.25 179.93 3mt0 h LEU 50 N 0.87 0.89 -0.59 0.00 3.38 -0.84 -1.45 115.31 117.56 3mt0 h LEU 50 Ca 0.19 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3mt0 h LEU 50 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3mt0 h LEU 50 CO 0.00 0.82 0.14 0.78 0.09 0.00 0.00 178.44 180.27 3mt0 h ASN 51 N 0.90 0.90 -0.53 -0.43 2.35 -0.79 0.27 115.58 118.25 3mt0 h ASN 51 Ca 0.21 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3mt0 h ASN 51 Cb 0.21 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3mt0 h ASN 51 CO -0.02 0.90 0.27 0.44 -1.65 0.00 0.00 177.43 177.37 3mt0 h ASP 52 N 0.86 0.69 -0.40 5.81 3.32 -1.09 0.38 116.42 125.99 3mt0 h ASP 52 Ca 0.19 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3mt0 h ASP 52 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3mt0 h ASP 52 CO 0.00 0.61 0.06 0.25 -1.72 0.00 0.00 179.24 178.44 3mt0 h LEU 53 N 0.72 0.64 -0.85 1.55 5.85 -1.06 -1.43 115.31 120.73 3mt0 h LEU 53 Ca 0.19 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3mt0 h LEU 53 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3mt0 h LEU 53 CO -0.03 0.74 0.30 0.00 -0.34 0.00 0.00 178.44 179.12 3mt0 h ALA 54 N 0.92 1.08 -0.53 1.25 0.00 -0.66 -1.51 119.26 119.81 3mt0 h ALA 54 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3mt0 h ALA 54 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3mt0 h ALA 54 CO 0.01 0.65 0.16 0.37 0.00 0.00 0.00 179.25 180.44 3mt0 h GLN 55 N 1.12 0.82 -0.77 0.00 4.15 -0.66 -0.54 115.11 119.23 3mt0 h GLN 55 Ca 0.26 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.52 3mt0 h GLN 55 Cb 0.22 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 3mt0 h GLN 55 CO -0.02 0.76 0.50 0.93 -1.93 0.00 0.00 178.83 179.07 3mt0 h GLU 56 N 0.73 0.97 -0.27 1.69 5.08 -0.95 -1.67 114.58 120.16 3mt0 h GLU 56 Ca 0.17 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3mt0 h GLU 56 Cb 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3mt0 h GLU 56 CO -0.00 0.64 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.14 3mt0 h LEU 57 N 1.00 0.73 -0.85 1.33 3.38 -1.04 -2.66 115.31 117.20 3mt0 h LEU 57 Ca 0.30 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3mt0 h LEU 57 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3mt0 h LEU 57 CO -0.09 1.07 0.07 0.03 0.09 0.00 0.00 178.44 179.61 3mt0 h ARG 58 N 0.55 0.93 0.00 1.13 3.08 -0.76 -1.11 114.38 118.20 3mt0 h ARG 58 Ca 0.04 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3mt0 h ARG 58 Cb 0.97 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3mt0 h ARG 58 CO 0.09 0.87 -0.17 0.93 -1.07 0.00 0.00 179.97 180.63 3mt0 h GLU 59 N 0.87 0.00 0.00 0.04 5.08 -1.22 -0.01 114.58 119.35 3mt0 h GLU 59 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mt0 h GLU 59 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3mt0 h GLU 59 CO 0.01 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.58 3mt0 n GLU 60 N -4.02 0.01 0.00 2.33 1.02 -0.50 -4.90 120.64 114.59 3mt0 n GLU 60 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3mt0 n GLU 60 Cb 0.25 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3mt0 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mt0 n GLY 61 N 1.40 1.12 3.86 0.62 0.00 -0.02 -5.09 105.19 107.08 3mt0 n GLY 61 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3mt0 n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mt0 s TYR 62 N -2.00 3.40 -0.25 1.61 2.02 -0.74 -4.99 117.35 116.41 3mt0 s TYR 62 Ca 0.00 1.13 -0.20 0.00 -0.37 0.00 0.00 57.07 57.63 3mt0 s TYR 62 Cb 0.00 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 3mt0 s TYR 62 CO 0.00 0.07 0.62 0.45 -1.57 0.00 0.00 175.55 175.12 3mt0 s SER 63 N -2.49 6.58 -0.01 2.29 0.15 -1.26 -4.19 113.70 114.77 3mt0 s SER 63 Ca 0.53 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.89 3mt0 s SER 63 Cb -0.10 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3mt0 s SER 63 CO 0.21 -0.35 -0.01 -0.69 1.20 0.00 0.00 173.24 173.60 3mt0 s VAL 64 N 2.39 0.16 0.22 4.45 1.01 -1.26 -0.69 120.40 126.67 3mt0 s VAL 64 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3mt0 s VAL 64 Cb -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 3mt0 s VAL 64 CO 0.09 0.09 -0.09 -0.94 0.00 0.00 0.00 175.10 174.25 3mt0 s SER 65 N 0.48 2.34 0.05 3.32 1.04 -0.29 -4.99 113.70 115.66 3mt0 s SER 65 Ca -0.05 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3mt0 s SER 65 Cb -0.07 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 3mt0 s SER 65 CO -0.01 -0.31 -0.04 0.42 0.98 0.00 0.00 173.24 174.28 3mt0 s THR 66 N -3.13 0.33 0.06 2.02 -4.23 -1.26 -0.46 115.64 108.97 3mt0 s THR 66 Ca 0.24 -1.58 -0.27 0.00 -1.18 0.00 0.00 61.69 58.90 3mt0 s THR 66 Cb 0.02 -1.21 0.07 0.00 1.34 0.00 0.00 72.50 72.72 3mt0 s THR 66 CO 0.07 -0.81 0.64 0.21 -0.54 0.00 0.00 174.62 174.19 3mt0 s ASN 67 N -2.52 -0.61 -0.10 3.99 2.47 0.04 -4.92 114.94 113.30 3mt0 s ASN 67 Ca 0.02 0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.67 3mt0 s ASN 67 Cb 0.02 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 3mt0 s ASN 67 CO -0.06 -0.80 -0.21 -1.58 -3.72 0.00 0.00 177.10 170.74 3mt0 s GLN 68 N -2.54 2.71 0.13 0.43 0.74 -1.26 -1.43 119.66 118.45 3mt0 s GLN 68 Ca -0.05 -0.76 -0.09 0.00 0.05 0.00 0.00 55.36 54.52 3mt0 s GLN 68 Cb -0.01 -2.10 -0.01 0.00 1.10 0.00 0.00 33.01 32.00 3mt0 s GLN 68 CO -0.02 0.12 0.24 0.00 -0.55 0.00 0.00 175.29 175.07 3mt0 s ALA 69 N 0.48 -0.06 -0.28 1.58 0.00 -0.70 -4.98 121.76 117.80 3mt0 s ALA 69 Ca -0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 3mt0 s ALA 69 Cb -0.17 0.71 0.12 0.00 0.00 0.00 0.00 23.12 23.78 3mt0 s ALA 69 CO 0.06 -0.59 0.60 -0.46 0.00 0.00 0.00 175.76 175.38 3mt0 s TRP 70 N -3.93 -1.21 -0.13 0.00 -0.11 -1.26 -1.78 118.94 110.51 3mt0 s TRP 70 Ca 0.13 2.15 -0.04 0.00 1.22 0.00 0.00 56.10 59.56 3mt0 s TRP 70 Cb 0.04 0.69 0.06 0.00 -1.50 0.00 0.00 33.47 32.76 3mt0 s TRP 70 CO -0.04 -0.62 0.15 0.21 -4.62 0.00 0.00 176.95 172.02 3mt0 s LYS 71 N 2.76 0.07 0.00 5.86 2.20 -1.26 -4.98 119.74 124.39 3mt0 s LYS 71 Ca -0.05 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 3mt0 s LYS 71 Cb -0.12 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.25 3mt0 s LYS 71 CO -0.18 -0.50 0.00 -0.25 -0.36 0.00 0.00 175.35 174.07 3mt0 n ASP 72 N 5.31 0.00 -3.82 1.43 8.00 -1.26 -3.81 116.55 122.40 3mt0 n ASP 72 Ca -0.05 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 3mt0 n ASP 72 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3mt0 n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3mt0 s SER 73 N 0.00 -0.25 0.06 -2.24 1.04 -1.26 -5.03 113.70 106.02 3mt0 s SER 73 Ca 0.00 -0.60 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 3mt0 s SER 73 Cb 0.00 0.65 -0.17 0.00 0.10 0.00 0.00 66.02 66.60 3mt0 s SER 73 CO 0.00 -1.19 1.57 0.25 0.98 0.00 0.00 173.24 174.85 3mt0 h LEU 74 N 2.11 -0.19 -1.21 2.42 5.85 -1.96 -0.89 115.31 121.45 3mt0 h LEU 74 Ca -0.24 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 3mt0 h LEU 74 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3mt0 h LEU 74 CO 0.31 -0.02 -0.10 1.12 -0.34 0.00 0.00 178.44 179.41 3mt0 h HIS 75 N -0.35 0.45 -0.25 1.25 2.07 -1.95 -1.12 115.15 115.25 3mt0 h HIS 75 Ca -0.02 -0.06 -0.17 0.00 -2.85 0.00 0.00 60.37 57.27 3mt0 h HIS 75 Cb 0.27 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 30.13 3mt0 h HIS 75 CO -0.03 0.52 -0.53 1.96 -3.07 0.00 0.00 177.93 176.78 3mt0 h GLN 76 N 0.40 0.72 -0.43 5.12 4.20 -1.80 -1.41 115.11 121.91 3mt0 h GLN 76 Ca 0.08 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3mt0 h GLN 76 Cb 0.43 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3mt0 h GLN 76 CO 0.02 1.07 0.25 1.15 -0.67 0.00 0.00 178.83 180.65 3mt0 h THR 77 N 0.56 1.15 -0.30 -0.54 2.02 -0.73 -0.55 112.91 114.51 3mt0 h THR 77 Ca 0.02 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3mt0 h THR 77 Cb 1.10 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3mt0 h THR 77 CO 0.11 0.15 0.19 0.40 0.37 0.00 0.00 175.52 176.74 3mt0 h ILE 78 N 0.57 1.07 -0.38 3.11 2.04 -1.03 -1.42 117.51 121.46 3mt0 h ILE 78 Ca 0.15 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 3mt0 h ILE 78 Cb 0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3mt0 h ILE 78 CO -0.03 0.07 -0.31 0.40 0.00 0.00 0.00 178.15 178.29 3mt0 h ILE 79 N 0.40 1.28 -0.85 -0.67 2.04 -1.11 -0.91 117.51 117.68 3mt0 h ILE 79 Ca 0.11 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3mt0 h ILE 79 Cb -0.04 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3mt0 h ILE 79 CO -0.03 0.49 0.53 0.00 0.00 0.00 0.00 178.15 179.14 3mt0 h ALA 80 N 0.94 1.08 -0.57 1.87 0.00 -0.95 -1.19 119.26 120.44 3mt0 h ALA 80 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mt0 h ALA 80 Cb 0.86 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3mt0 h ALA 80 CO 0.08 0.53 0.16 1.49 0.00 0.00 0.00 179.25 181.50 3mt0 h GLU 81 N 1.16 0.90 -0.96 0.00 4.57 -0.90 -1.07 114.58 118.28 3mt0 h GLU 81 Ca 0.31 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3mt0 h GLU 81 Cb -0.08 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 3mt0 h GLU 81 CO -0.06 0.82 0.63 0.37 -1.18 0.00 0.00 179.01 179.59 3mt0 h GLN 82 N 0.80 1.19 -0.28 1.92 -0.00 -0.63 -0.52 115.11 117.59 3mt0 h GLN 82 Ca 0.18 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.68 3mt0 h GLN 82 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 3mt0 h GLN 82 CO -0.00 0.79 -0.11 1.96 0.00 0.00 0.00 178.83 181.46 3mt0 h GLN 83 N 1.22 0.57 -0.27 1.69 1.08 -1.02 0.11 115.11 118.50 3mt0 h GLN 83 Ca 0.38 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 3mt0 h GLN 83 Cb -0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3mt0 h GLN 83 CO -0.11 0.80 -0.25 0.00 -0.95 0.00 0.00 178.83 178.32 3mt0 h ALA 84 N 0.75 1.07 -0.01 3.87 0.00 -0.68 -3.09 119.26 121.17 3mt0 h ALA 84 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mt0 h ALA 84 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mt0 h ALA 84 CO 0.04 0.57 -0.58 0.39 0.00 0.00 0.00 179.25 179.66 3mt0 n GLU 85 N -4.12 0.89 -3.22 0.00 -0.58 -0.25 -4.99 120.64 108.37 3mt0 n GLU 85 Ca -0.00 -0.73 -0.21 0.00 -0.42 0.00 0.00 57.16 55.80 3mt0 n GLU 85 Cb 0.41 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 3mt0 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mt0 n GLY 86 N 1.44 -0.38 3.79 0.62 0.00 0.33 -4.98 105.19 106.02 3mt0 n GLY 86 Ca 0.08 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3mt0 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mt0 n GLY 88 N -0.00 0.77 3.33 0.00 0.00 -0.14 -4.91 105.19 104.23 3mt0 n GLY 88 Ca 0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3mt0 n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mt0 s LEU 89 N -2.11 0.34 -0.15 0.99 2.96 -1.23 -4.00 118.68 115.48 3mt0 s LEU 89 Ca 0.26 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3mt0 s LEU 89 Cb 0.20 1.48 -0.02 0.00 0.50 0.00 0.00 46.19 48.35 3mt0 s LEU 89 CO 0.36 -0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.51 3mt0 s ILE 90 N 0.24 3.23 -0.17 6.68 1.01 -0.83 -0.46 121.20 130.92 3mt0 s ILE 90 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 3mt0 s ILE 90 Cb -0.03 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3mt0 s ILE 90 CO 0.00 0.50 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 3mt0 s ILE 91 N 0.55 3.01 -0.01 2.92 1.01 0.25 -0.20 121.20 128.73 3mt0 s ILE 91 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3mt0 s ILE 91 Cb -0.15 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3mt0 s ILE 91 CO 0.03 0.49 0.00 -0.75 0.00 0.00 0.00 174.94 174.72 3mt0 s LYS 92 N 0.85 0.05 0.11 2.79 2.20 -0.49 -1.22 119.74 124.03 3mt0 s LYS 92 Ca -0.03 0.04 -0.26 0.00 -0.36 0.00 0.00 55.97 55.35 3mt0 s LYS 92 Cb -0.15 -0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 35.97 3mt0 s LYS 92 CO 0.00 -0.04 0.82 -1.14 -0.36 0.00 0.00 175.35 174.63 3mt0 s GLN 93 N 0.34 4.59 -0.06 4.03 0.74 -1.26 -1.14 119.66 126.89 3mt0 s GLN 93 Ca -0.03 1.20 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 3mt0 s GLN 93 Cb -0.05 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 3mt0 s GLN 93 CO -0.01 0.36 1.10 -1.58 -0.55 0.00 0.00 175.29 174.61 3mt0 s HIS 94 N -0.41 3.39 -0.29 1.67 5.65 0.01 -4.87 115.29 120.43 3mt0 s HIS 94 Ca 0.40 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.14 3mt0 s HIS 94 Cb -0.22 -3.29 0.09 0.00 -1.18 0.00 0.00 32.58 27.97 3mt0 s HIS 94 CO 0.26 -0.72 0.05 -0.06 -0.65 0.00 0.00 174.74 173.62 3mt0 s PHE 95 N 1.94 2.23 0.47 3.88 0.08 -1.26 -4.87 117.98 120.44 3mt0 s PHE 95 Ca 0.52 -1.93 -0.24 0.00 0.12 0.00 0.00 56.93 55.41 3mt0 s PHE 95 Cb -0.22 -1.88 -0.07 0.00 -0.57 0.00 0.00 43.02 40.28 3mt0 s PHE 95 CO 0.21 -0.85 1.26 -1.25 -0.10 0.00 0.00 175.22 174.50 3mt0 s PRO 96 N 1.44 3.65 0.23 0.24 0.04 -1.26 -4.80 135.00 134.53 3mt0 s PRO 96 Ca 0.06 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.22 3mt0 s PRO 96 Cb -0.18 -2.47 0.18 0.00 0.04 0.00 0.00 34.50 32.07 3mt0 s PRO 96 CO -0.16 -0.72 1.51 -0.44 0.04 0.00 0.00 177.00 177.23 3mt0 h ASP 97 N 2.08 0.00 -3.38 6.66 3.32 -1.89 -3.43 116.42 119.78 3mt0 h ASP 97 Ca -0.50 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.88 3mt0 h ASP 97 Cb 1.26 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.49 3mt0 h ASP 97 CO 0.60 0.73 -0.78 0.21 -1.72 0.00 0.00 179.24 178.28 3mt0 s ASN 98 N -6.78 3.96 0.64 6.45 3.84 -1.26 -4.99 114.94 116.80 3mt0 s ASN 98 Ca -0.00 -0.76 0.42 0.00 0.21 0.00 0.00 52.86 52.73 3mt0 s ASN 98 Cb 0.12 -1.61 2.20 0.00 -0.55 0.00 0.00 41.25 41.40 3mt0 s ASN 98 CO 0.78 -0.07 2.28 -0.65 -2.79 0.00 0.00 177.10 176.65 3mt0 h PRO 99 N 7.99 0.00 0.00 0.43 0.11 -1.98 -1.33 132.00 137.22 3mt0 h PRO 99 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3mt0 h PRO 99 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3mt0 h PRO 99 CO 0.59 0.00 -0.71 1.28 -0.21 0.00 0.00 178.00 178.96 3mt0 n LEU 100 N -3.06 0.61 -3.06 2.35 7.99 -1.26 -4.22 117.00 116.34 3mt0 n LEU 100 Ca -0.02 0.04 -0.23 0.00 -0.01 0.00 0.00 56.01 55.79 3mt0 n LEU 100 Cb 0.12 -0.18 -0.04 0.00 -0.11 0.00 0.00 43.42 43.21 3mt0 n LEU 100 CO 0.21 0.05 -0.01 0.29 -1.51 0.00 0.00 177.39 176.42 3mt0 n LYS 101 N -1.82 2.27 0.28 3.23 4.76 -0.51 -4.97 118.16 121.41 3mt0 n LYS 101 Ca 0.04 -4.24 0.17 0.00 -2.87 0.00 0.00 58.31 51.40 3mt0 n LYS 101 Cb 0.40 -2.01 0.81 0.00 -1.84 0.00 0.00 35.03 32.39 3mt0 n LYS 101 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3mt0 h LYS 102 N 3.07 0.00 0.00 1.97 1.57 -1.71 -2.73 116.57 118.73 3mt0 h LYS 102 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mt0 h LYS 102 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3mt0 h LYS 102 CO 0.69 0.06 -0.60 0.00 -0.57 0.00 0.00 179.45 179.02 3mt0 h ALA 103 N 1.94 0.65 -2.38 3.86 0.00 -1.89 -3.42 119.26 118.03 3mt0 h ALA 103 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3mt0 h ALA 103 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mt0 h ALA 103 CO 0.01 0.00 0.66 0.42 0.00 0.00 0.00 179.25 180.34 3mt0 s ILE 104 N -3.23 4.14 0.55 0.00 -1.09 -1.03 -4.21 121.20 116.33 3mt0 s ILE 104 Ca 0.05 1.50 -0.19 0.00 -2.23 0.00 0.00 60.65 59.77 3mt0 s ILE 104 Cb 0.11 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.97 3mt0 s ILE 104 CO 0.72 0.04 1.11 -0.76 -1.23 0.00 0.00 174.94 174.83 3mt0 s LEU 105 N 1.81 3.73 0.70 2.97 1.43 -1.26 -4.68 118.68 123.37 3mt0 s LEU 105 Ca 0.58 2.12 -0.13 0.00 -1.03 0.00 0.00 54.13 55.66 3mt0 s LEU 105 Cb -0.27 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.40 3mt0 s LEU 105 CO 0.25 -1.19 1.09 0.42 0.23 0.00 0.00 176.35 177.15 3mt0 s THR 106 N -1.87 3.45 0.34 5.49 -4.23 -1.26 -4.84 115.64 112.72 3mt0 s THR 106 Ca 0.71 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.80 3mt0 s THR 106 Cb -0.22 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 70.79 3mt0 s THR 106 CO 0.27 -0.53 1.98 -0.65 -0.54 0.00 0.00 174.62 175.16 3mt0 h PRO 107 N -0.49 0.88 -0.53 3.99 0.11 -2.00 -1.43 132.00 132.54 3mt0 h PRO 107 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3mt0 h PRO 107 Cb 1.23 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3mt0 h PRO 107 CO 0.54 0.58 -0.07 0.22 -0.21 0.00 0.00 178.00 179.06 3mt0 h ASP 108 N 0.91 0.95 0.11 -2.05 3.58 -2.00 -2.12 116.42 115.80 3mt0 h ASP 108 Ca 0.28 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 3mt0 h ASP 108 Cb -0.01 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3mt0 h ASP 108 CO -0.07 1.04 -0.21 0.44 -2.88 0.00 0.00 179.24 177.56 3mt0 h ASP 109 N 0.87 0.18 -0.74 2.28 3.32 -1.76 -0.91 116.42 119.65 3mt0 h ASP 109 Ca 0.15 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3mt0 h ASP 109 Cb 0.60 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3mt0 h ASP 109 CO 0.04 0.40 0.28 -0.50 -1.72 0.00 0.00 179.24 177.73 3mt0 h TRP 110 N 0.17 1.16 -0.65 4.55 4.06 -0.94 -1.33 115.95 122.97 3mt0 h TRP 110 Ca 0.03 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 3mt0 h TRP 110 Cb 0.47 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 3mt0 h TRP 110 CO 0.01 0.89 0.08 0.87 -3.56 0.00 0.00 178.44 176.72 3mt0 h LYS 111 N 1.10 1.08 -0.25 0.49 1.57 -0.67 -0.22 116.57 119.68 3mt0 h LYS 111 Ca 0.25 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mt0 h LYS 111 Cb 0.24 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3mt0 h LYS 111 CO -0.02 1.01 0.03 1.25 -0.57 0.00 0.00 179.45 181.15 3mt0 h LEU 112 N 1.01 -0.04 -1.13 2.94 5.85 -0.96 -1.83 115.31 121.15 3mt0 h LEU 112 Ca 0.19 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3mt0 h LEU 112 Cb 0.47 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3mt0 h LEU 112 CO 0.02 0.01 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.91 3mt0 h LEU 113 N 0.11 0.41 -0.46 2.25 3.38 -0.95 -0.16 115.31 119.89 3mt0 h LEU 113 Ca 0.12 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3mt0 h LEU 113 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mt0 h LEU 113 CO -0.17 0.59 -0.23 -0.09 0.09 0.00 0.00 178.44 178.63 3mt0 h ARG 114 N 0.39 0.97 0.00 1.13 2.43 -0.68 -3.36 114.38 115.27 3mt0 h ARG 114 Ca 0.07 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3mt0 h ARG 114 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3mt0 h ARG 114 CO 0.03 1.10 -0.88 1.19 -1.51 0.00 0.00 179.97 179.90 3mt0 n PHE 115 N -4.13 0.00 -1.75 2.20 3.72 -0.72 -4.96 117.46 111.83 3mt0 n PHE 115 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3mt0 n PHE 115 Cb 0.46 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3mt0 n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mt0 s ALA 116 N -2.48 3.76 -0.37 4.37 0.00 -0.09 -4.87 121.76 122.08 3mt0 s ALA 116 Ca 0.03 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 3mt0 s ALA 116 Cb 0.10 -3.75 0.20 0.00 0.00 0.00 0.00 23.12 19.67 3mt0 s ALA 116 CO 0.59 -1.18 2.19 -0.35 0.00 0.00 0.00 175.76 177.01 3mt0 n PRO 117 N 5.53 1.99 -3.69 0.00 -0.04 -1.26 -4.84 135.00 132.68 3mt0 n PRO 117 Ca 0.17 -1.85 -0.04 0.00 -0.04 0.00 0.00 63.50 61.74 3mt0 n PRO 117 Cb 0.38 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3mt0 n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mt0 n PRO 119 N -0.42 1.87 -4.50 0.00 -0.02 -1.26 -4.89 135.00 125.79 3mt0 n PRO 119 Ca -0.07 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 3mt0 n PRO 119 Cb 0.61 -2.37 -0.17 0.00 -0.02 0.00 0.00 33.50 31.55 3mt0 n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mt0 s VAL 120 N -1.21 1.53 0.39 -1.45 1.01 -0.92 -1.96 120.40 117.80 3mt0 s VAL 120 Ca 0.62 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3mt0 s VAL 120 Cb -0.50 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3mt0 s VAL 120 CO 0.57 0.45 0.54 -0.11 0.00 0.00 0.00 175.10 176.55 3mt0 n LEU 121 N 4.15 0.00 -3.69 3.92 7.94 0.73 -0.47 117.00 129.58 3mt0 n LEU 121 Ca -0.19 -1.65 -0.11 0.00 -1.11 0.00 0.00 56.01 52.95 3mt0 n LEU 121 Cb 0.51 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.07 3mt0 n LEU 121 CO 0.24 -0.65 0.12 0.42 -1.11 0.00 0.00 177.39 176.41 3mt0 s THR 123 N -1.42 -0.02 0.00 1.96 -4.23 -0.29 -1.39 115.64 110.25 3mt0 s THR 123 Ca 0.41 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3mt0 s THR 123 Cb -0.03 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.13 3mt0 s THR 123 CO 0.26 0.02 0.17 0.29 -0.54 0.00 0.00 174.62 174.82 3mt0 n LYS 124 N 3.94 1.68 -4.13 3.99 5.02 -1.26 -0.81 118.16 126.58 3mt0 n LYS 124 Ca -0.21 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.78 3mt0 n LYS 124 Cb 0.56 -0.59 -0.11 0.00 -0.02 0.00 0.00 35.03 34.88 3mt0 n LYS 124 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3mt0 s THR 125 N -0.29 0.74 -1.43 -0.18 -1.32 -1.25 -4.82 115.64 107.08 3mt0 s THR 125 Ca 0.00 -1.49 0.25 0.00 -1.21 0.00 0.00 61.69 59.24 3mt0 s THR 125 Cb 0.00 -1.15 0.11 0.00 -1.51 0.00 0.00 72.50 69.95 3mt0 s THR 125 CO 0.00 -0.56 1.42 0.00 -2.21 0.00 0.00 174.62 173.28 3mt0 n ALA 126 N 0.77 3.42 -1.75 11.08 0.00 -1.26 -4.90 120.51 127.88 3mt0 n ALA 126 Ca -0.18 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3mt0 n ALA 126 Cb 0.57 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3mt0 n ALA 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3mt0 s ARG 127 N -2.73 4.11 0.58 0.00 0.52 -1.26 -4.95 118.95 115.22 3mt0 s ARG 127 Ca 0.18 2.61 -0.20 0.00 -0.52 0.00 0.00 55.73 57.79 3mt0 s ARG 127 Cb 0.18 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 3mt0 s ARG 127 CO 0.62 -0.66 1.31 -2.14 0.02 0.00 0.00 175.30 174.45 3mt0 s PRO 128 N -0.41 2.98 0.21 3.54 0.02 -1.26 -4.92 135.00 135.15 3mt0 s PRO 128 Ca 0.64 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3mt0 s PRO 128 Cb -0.48 -2.10 0.16 0.00 0.02 0.00 0.00 34.50 32.09 3mt0 s PRO 128 CO 0.47 -1.28 1.52 -1.49 -0.33 0.00 0.00 177.00 175.89 3mt0 h TRP 129 N 1.15 0.52 -2.43 6.54 4.06 -1.94 -3.43 115.95 120.43 3mt0 h TRP 129 Ca -0.51 -0.20 -0.55 0.00 2.06 0.00 0.00 58.89 59.69 3mt0 h TRP 129 Cb 1.31 -0.09 0.05 0.00 -1.00 0.00 0.00 29.16 29.42 3mt0 h TRP 129 CO 0.45 0.90 1.00 2.41 -3.56 0.00 0.00 178.44 179.65 3mt0 n THR 130 N -3.91 0.20 -0.96 1.49 -1.04 -1.26 -1.24 114.28 107.56 3mt0 n THR 130 Ca -0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3mt0 n THR 130 Cb 0.62 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 3mt0 n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mt0 n GLY 131 N 3.97 0.92 0.00 3.41 0.00 -0.57 -4.98 105.19 107.93 3mt0 n GLY 131 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3mt0 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt0 n GLY 132 N -2.01 -0.54 3.31 -0.02 0.00 -0.37 -4.71 105.19 100.85 3mt0 n GLY 132 Ca 0.00 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3mt0 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mt0 s LYS 133 N -1.37 3.28 -0.20 1.61 1.02 -1.26 -1.46 119.74 121.35 3mt0 s LYS 133 Ca 0.00 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 3mt0 s LYS 133 Cb 0.00 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 3mt0 s LYS 133 CO 0.00 0.13 0.08 0.42 -0.92 0.00 0.00 175.35 175.06 3mt0 s ILE 134 N 0.53 4.79 -0.18 2.17 -1.09 0.56 -1.15 121.20 126.84 3mt0 s ILE 134 Ca -0.10 -0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3mt0 s ILE 134 Cb -0.16 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 3mt0 s ILE 134 CO 0.04 0.43 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.88 3mt0 s LEU 135 N 0.65 2.84 -0.19 2.97 2.96 0.18 -0.53 118.68 127.57 3mt0 s LEU 135 Ca 0.04 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3mt0 s LEU 135 Cb -0.13 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3mt0 s LEU 135 CO 0.01 0.06 0.11 0.00 -1.32 0.00 0.00 176.35 175.22 3mt0 s ALA 136 N 0.97 3.63 -0.25 5.97 0.00 0.28 -0.04 121.76 132.32 3mt0 s ALA 136 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 3mt0 s ALA 136 Cb -0.15 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 3mt0 s ALA 136 CO -0.00 0.22 0.06 0.00 0.00 0.00 0.00 175.76 176.04 3mt0 s ALA 137 N 0.20 3.12 0.37 0.00 0.00 -0.33 -0.88 121.76 124.24 3mt0 s ALA 137 Ca 0.08 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3mt0 s ALA 137 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3mt0 s ALA 137 CO -0.01 -0.51 0.24 0.14 0.00 0.00 0.00 175.76 175.62 3mt0 s VAL 138 N 1.59 0.17 -0.42 0.00 -7.23 -0.49 -4.54 120.40 109.48 3mt0 s VAL 138 Ca 0.06 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3mt0 s VAL 138 Cb -0.15 -2.41 0.13 0.00 0.56 0.00 0.00 36.38 34.51 3mt0 s VAL 138 CO 0.03 0.00 0.22 -0.62 -0.31 0.00 0.00 175.10 174.42 3mt0 s ASP 139 N -3.48 3.65 0.64 4.85 2.15 -1.26 -3.51 116.67 119.71 3mt0 s ASP 139 Ca 0.34 -2.52 0.37 0.00 0.43 0.00 0.00 52.55 51.18 3mt0 s ASP 139 Cb 0.02 -0.99 2.09 0.00 -0.30 0.00 0.00 42.92 43.74 3mt0 s ASP 139 CO 0.24 -0.28 2.25 0.58 -0.17 0.00 0.00 175.17 177.79 3mt0 h VAL 140 N 5.35 0.18 0.00 1.11 2.07 -1.92 -1.98 116.25 121.06 3mt0 h VAL 140 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3mt0 h VAL 140 Cb 0.94 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3mt0 h VAL 140 CO 0.47 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.67 3mt0 n GLY 141 N -1.20 -0.96 2.96 2.17 0.00 -1.26 -4.53 105.19 102.37 3mt0 n GLY 141 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3mt0 n GLY 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mt0 s ASN 142 N -3.20 2.38 -0.18 1.61 3.04 -0.75 -5.00 114.94 112.86 3mt0 s ASN 142 Ca 0.05 -0.38 0.14 0.00 0.04 0.00 0.00 52.86 52.71 3mt0 s ASN 142 Cb 0.08 -0.99 0.43 0.00 -1.54 0.00 0.00 41.25 39.23 3mt0 s ASN 142 CO 0.24 -0.08 1.21 -0.46 -3.04 0.00 0.00 177.10 174.97 3mt0 n ASN 143 N 4.79 1.82 -4.73 -4.21 6.94 -1.26 -4.59 115.26 114.01 3mt0 n ASN 143 Ca -0.15 -3.47 -0.30 0.00 -0.02 0.00 0.00 54.58 50.64 3mt0 n ASN 143 Cb 0.50 -0.47 0.14 0.00 -2.36 0.00 0.00 39.78 37.59 3mt0 n ASN 143 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3mt0 s ASP 144 N -3.03 3.52 0.31 0.53 1.47 -1.26 -4.63 116.67 113.57 3mt0 s ASP 144 Ca 0.38 1.39 0.06 0.00 1.18 0.00 0.00 52.55 55.55 3mt0 s ASP 144 Cb 0.38 -2.07 0.72 0.00 -0.34 0.00 0.00 42.92 41.60 3mt0 s ASP 144 CO -0.08 -2.59 1.80 1.23 0.68 0.00 0.00 175.17 176.20 3mt0 h GLY 145 N -1.52 1.70 0.93 2.12 0.00 -1.99 -0.26 103.07 104.04 3mt0 h GLY 145 Ca -0.50 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.37 3mt0 h GLY 145 CO 0.56 -0.00 -0.16 0.83 0.00 0.00 0.00 176.54 177.76 3mt0 h GLU 146 N 0.80 0.65 -0.15 4.80 5.08 -1.99 -2.42 114.58 121.35 3mt0 h GLU 146 Ca 0.55 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 58.41 3mt0 h GLU 146 Cb 0.82 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3mt0 h GLU 146 CO -0.34 0.88 -0.73 0.45 -1.00 0.00 0.00 179.01 178.27 3mt0 h HIS 147 N 0.41 0.91 -0.80 4.33 3.86 -1.70 -2.22 115.15 119.95 3mt0 h HIS 147 Ca 0.07 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 58.94 3mt0 h HIS 147 Cb 0.69 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.96 3mt0 h HIS 147 CO 0.06 1.20 0.48 0.00 0.86 0.00 0.00 177.93 180.53 3mt0 h ARG 148 N 0.48 0.87 -0.22 2.45 3.08 -1.06 0.20 114.38 120.17 3mt0 h ARG 148 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3mt0 h ARG 148 Cb 1.34 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3mt0 h ARG 148 CO 0.14 0.57 0.02 1.03 -1.07 0.00 0.00 179.97 180.67 3mt0 h SER 149 N 0.89 0.37 -0.27 7.04 0.87 -1.36 -0.38 113.55 120.71 3mt0 h SER 149 Ca 0.35 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3mt0 h SER 149 Cb 0.16 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3mt0 h SER 149 CO -0.17 0.56 0.04 0.25 -0.53 0.00 0.00 176.83 176.99 3mt0 h LEU 150 N 0.16 0.42 -0.55 2.23 5.85 -1.03 -2.18 115.31 120.22 3mt0 h LEU 150 Ca 0.07 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3mt0 h LEU 150 Cb 0.36 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3mt0 h LEU 150 CO 0.01 0.57 0.36 0.45 -0.34 0.00 0.00 178.44 179.49 3mt0 h HIS 151 N 0.25 0.69 -0.88 1.25 3.86 -0.55 0.52 115.15 120.28 3mt0 h HIS 151 Ca 0.08 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.40 3mt0 h HIS 151 Cb 0.33 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 3mt0 h HIS 151 CO 0.02 0.43 0.53 0.00 0.86 0.00 0.00 177.93 179.77 3mt0 h ALA 152 N 1.20 1.26 -0.27 2.45 0.00 -0.95 0.15 119.26 123.10 3mt0 h ALA 152 Ca 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3mt0 h ALA 152 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3mt0 h ALA 152 CO -0.04 0.18 -0.01 0.78 0.00 0.00 0.00 179.25 180.16 3mt0 h GLY 153 N 0.90 0.53 0.73 0.00 0.00 -0.65 0.67 103.07 105.24 3mt0 h GLY 153 Ca 0.42 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3mt0 h GLY 153 CO -0.23 0.37 -0.12 -2.22 0.00 0.00 0.00 176.54 174.33 3mt0 h ILE 154 N 0.27 0.70 -0.59 2.60 2.04 -0.45 -1.44 117.51 120.63 3mt0 h ILE 154 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 3mt0 h ILE 154 Cb 0.45 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3mt0 h ILE 154 CO 0.02 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.73 3mt0 h ILE 155 N -0.23 1.25 -0.13 -0.67 2.04 -0.93 -0.72 117.51 118.12 3mt0 h ILE 155 Ca 0.04 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3mt0 h ILE 155 Cb 0.27 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3mt0 h ILE 155 CO -0.10 0.33 -0.00 -1.28 0.00 0.00 0.00 178.15 177.09 3mt0 h SER 156 N 0.85 -0.05 -0.44 1.72 0.87 -0.65 0.19 113.55 116.03 3mt0 h SER 156 Ca 0.19 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3mt0 h SER 156 Cb 0.33 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3mt0 h SER 156 CO -0.00 -0.01 0.16 0.45 -0.53 0.00 0.00 176.83 176.91 3mt0 h HIS 157 N 0.04 0.69 -0.29 2.24 3.86 -1.19 -1.38 115.15 119.11 3mt0 h HIS 157 Ca 0.06 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3mt0 h HIS 157 Cb 0.07 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3mt0 h HIS 157 CO -0.14 0.60 0.10 0.00 0.86 0.00 0.00 177.93 179.34 3mt0 h ALA 158 N 1.01 0.38 -0.67 2.45 0.00 -0.70 -0.19 119.26 121.55 3mt0 h ALA 158 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mt0 h ALA 158 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3mt0 h ALA 158 CO -0.01 0.01 0.36 -0.92 0.00 0.00 0.00 179.25 178.69 3mt0 h TYR 159 N 0.31 0.92 -0.71 0.00 3.20 -0.62 -0.14 116.97 119.93 3mt0 h TYR 159 Ca 0.09 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3mt0 h TYR 159 Cb 0.23 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3mt0 h TYR 159 CO 0.00 0.66 0.18 0.22 -1.64 0.00 0.00 178.16 177.58 3mt0 h ASP 160 N 0.92 1.08 -0.15 -2.11 1.82 -0.89 -0.64 116.42 116.45 3mt0 h ASP 160 Ca 0.23 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3mt0 h ASP 160 Cb 0.05 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 3mt0 h ASP 160 CO -0.04 1.03 0.09 0.40 -1.61 0.00 0.00 179.24 179.11 3mt0 h ILE 161 N 1.08 1.08 -0.95 2.25 2.04 -0.76 -0.82 117.51 121.42 3mt0 h ILE 161 Ca 0.22 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 66.00 3mt0 h ILE 161 Cb 0.37 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 3mt0 h ILE 161 CO 0.00 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.80 3mt0 h ALA 162 N 1.01 1.42 0.04 1.87 0.00 -0.64 -0.85 119.26 122.11 3mt0 h ALA 162 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mt0 h ALA 162 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3mt0 h ALA 162 CO -0.01 0.17 -0.02 0.78 0.00 0.00 0.00 179.25 180.17 3mt0 h GLY 163 N 0.91 -0.06 2.00 0.00 0.00 -0.68 0.75 103.07 105.99 3mt0 h GLY 163 Ca 0.47 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.77 3mt0 h GLY 163 CO -0.27 -0.02 -0.27 0.17 0.00 0.00 0.00 176.54 176.15 3mt0 h LEU 164 N -0.32 0.00 -1.73 3.11 8.10 -0.79 -2.78 115.31 120.90 3mt0 h LEU 164 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 3mt0 h LEU 164 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 3mt0 h LEU 164 CO 0.01 0.27 0.00 0.00 -4.11 0.00 0.00 178.44 174.61 3mt0 n ALA 165 N -2.28 2.48 -3.98 0.17 0.00 -0.36 -4.95 120.51 111.60 3mt0 n ALA 165 Ca -0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 3mt0 n ALA 165 Cb 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3mt0 n ALA 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mt0 n LYS 166 N 1.01 -2.39 -4.41 0.00 5.02 -0.79 -1.52 118.16 115.08 3mt0 n LYS 166 Ca 0.17 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.49 3mt0 n LYS 166 Cb 0.51 -4.16 -0.05 0.00 -0.02 0.00 0.00 35.03 31.31 3mt0 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mt0 s ALA 167 N -3.93 4.30 0.11 7.82 0.00 0.19 -2.61 121.76 127.64 3mt0 s ALA 167 Ca 0.10 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.48 3mt0 s ALA 167 Cb -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3mt0 s ALA 167 CO 0.91 -0.19 0.04 0.95 0.00 0.00 0.00 175.76 177.46 3mt0 s THR 168 N -2.85 4.17 -0.11 0.00 -4.23 -0.53 -4.65 115.64 107.44 3mt0 s THR 168 Ca 0.16 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 3mt0 s THR 168 Cb -0.00 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 3mt0 s THR 168 CO 0.10 0.06 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.01 3mt0 s LEU 169 N -2.52 3.49 0.05 4.79 2.96 -1.26 -0.32 118.68 125.87 3mt0 s LEU 169 Ca 0.28 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3mt0 s LEU 169 Cb -0.11 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3mt0 s LEU 169 CO 0.20 0.31 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.48 3mt0 s HIS 170 N -0.47 0.60 -0.02 5.38 3.76 0.31 -4.87 115.29 119.98 3mt0 s HIS 170 Ca 0.08 -0.69 0.02 0.00 -0.15 0.00 0.00 55.06 54.32 3mt0 s HIS 170 Cb -0.12 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.20 3mt0 s HIS 170 CO 0.02 -0.17 -0.07 0.08 -0.85 0.00 0.00 174.74 173.75 3mt0 s VAL 171 N -2.31 0.59 -0.11 -0.90 1.01 0.24 -0.56 120.40 118.36 3mt0 s VAL 171 Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3mt0 s VAL 171 Cb -0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3mt0 s VAL 171 CO -0.03 0.19 -0.21 -0.51 0.00 0.00 0.00 175.10 174.55 3mt0 s ILE 172 N 0.24 2.36 -0.12 2.22 1.10 -0.06 -0.41 121.20 126.53 3mt0 s ILE 172 Ca -0.03 -0.91 0.01 0.00 -0.51 0.00 0.00 60.65 59.20 3mt0 s ILE 172 Cb -0.08 -1.93 0.02 0.00 0.15 0.00 0.00 42.46 40.62 3mt0 s ILE 172 CO 0.00 0.55 -0.14 -0.55 -2.11 0.00 0.00 174.94 172.69 3mt0 s SER 173 N 0.32 2.50 -0.07 4.50 0.15 -0.00 -1.40 113.70 119.71 3mt0 s SER 173 Ca -0.16 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.06 3mt0 s SER 173 Cb -0.17 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 3mt0 s SER 173 CO 0.08 -0.02 -0.07 0.00 1.20 0.00 0.00 173.24 174.43 3mt0 s ALA 174 N 1.22 2.98 -0.05 5.45 0.00 -1.23 -1.56 121.76 128.58 3mt0 s ALA 174 Ca -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3mt0 s ALA 174 Cb -0.14 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.79 3mt0 s ALA 174 CO -0.05 0.57 0.08 -3.38 0.00 0.00 0.00 175.76 172.98 3mt0 s HIS 175 N -0.80 -0.03 0.00 0.00 -3.43 -0.93 -4.77 115.29 105.32 3mt0 s HIS 175 Ca 0.12 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 3mt0 s HIS 175 Cb -0.11 -0.29 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 3mt0 s HIS 175 CO 0.01 -0.17 0.00 -2.30 -2.00 0.00 0.00 174.74 170.29 3mt0 n PRO 176 N 4.74 0.63 -0.11 -0.38 -0.02 -1.26 -2.35 135.00 136.26 3mt0 n PRO 176 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3mt0 n PRO 176 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3mt0 n PRO 176 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3mt0 n THR 186 N -1.22 0.00 -0.17 3.45 5.66 -1.26 -4.82 114.28 115.91 3mt0 n THR 186 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 3mt0 n THR 186 Cb 0.00 -0.11 0.10 0.00 -1.55 0.00 0.00 70.33 68.77 3mt0 n THR 186 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 3mt0 h PHE 187 N 0.00 1.02 -0.19 1.09 3.57 -2.05 -0.74 116.94 119.64 3mt0 h PHE 187 Ca 0.00 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.38 3mt0 h PHE 187 Cb 0.00 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3mt0 h PHE 187 CO 0.00 0.89 0.03 1.96 -2.23 0.00 0.00 178.31 178.95 3mt0 h GLN 188 N 0.90 0.09 -0.29 1.11 4.20 -2.06 0.42 115.11 119.49 3mt0 h GLN 188 Ca 0.18 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 3mt0 h GLN 188 Cb 0.45 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3mt0 h GLN 188 CO 0.02 0.06 0.01 1.25 -0.67 0.00 0.00 178.83 179.50 3mt0 h LEU 189 N 0.10 0.49 -0.99 1.46 5.85 -1.95 -1.73 115.31 118.53 3mt0 h LEU 189 Ca 0.08 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.61 3mt0 h LEU 189 Cb 0.09 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 3mt0 h LEU 189 CO -0.12 0.66 0.63 0.28 -0.34 0.00 0.00 178.44 179.55 3mt0 h SER 190 N 0.30 0.94 -0.73 1.25 0.02 -0.97 0.12 113.55 114.49 3mt0 h SER 190 Ca 0.08 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3mt0 h SER 190 Cb 0.40 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3mt0 h SER 190 CO 0.01 0.53 0.43 -0.08 -1.14 0.00 0.00 176.83 176.59 3mt0 h GLU 191 N 1.03 1.00 -0.10 3.45 4.81 -0.50 -0.51 114.58 123.75 3mt0 h GLU 191 Ca 0.47 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.48 3mt0 h GLU 191 Cb 0.40 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3mt0 h GLU 191 CO -0.24 0.71 -0.46 1.15 -0.73 0.00 0.00 179.01 179.44 3mt0 h THR 192 N 1.01 1.38 -0.83 0.32 2.02 -0.16 -2.40 112.91 114.25 3mt0 h THR 192 Ca 0.26 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 3mt0 h THR 192 Cb -0.03 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 3mt0 h THR 192 CO -0.05 0.54 0.39 0.40 0.37 0.00 0.00 175.52 177.16 3mt0 h ILE 193 N 0.07 1.26 -0.20 3.11 1.08 -0.65 -2.40 117.51 119.78 3mt0 h ILE 193 Ca -0.03 -0.74 -0.18 0.00 -0.39 0.00 0.00 64.86 63.52 3mt0 h ILE 193 Cb 1.10 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3mt0 h ILE 193 CO 0.10 0.32 -0.59 -0.33 -0.69 0.00 0.00 178.15 176.95 3mt0 h GLU 194 N 1.18 0.65 -0.93 2.37 4.39 -1.13 -1.49 114.58 119.63 3mt0 h GLU 194 Ca 0.28 -0.43 0.08 0.00 0.34 0.00 0.00 59.36 59.64 3mt0 h GLU 194 Cb 0.14 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 3mt0 h GLU 194 CO -0.03 1.05 0.57 0.00 -1.16 0.00 0.00 179.01 179.44 3mt0 h ALA 195 N 0.86 1.32 -0.12 3.43 0.00 -1.25 0.12 119.26 123.62 3mt0 h ALA 195 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3mt0 h ALA 195 Cb 1.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3mt0 h ALA 195 CO 0.12 0.27 -0.54 0.00 0.00 0.00 0.00 179.25 179.10 3mt0 h ARG 196 N 0.99 0.35 -0.59 0.00 3.08 -1.12 -1.58 114.38 115.51 3mt0 h ARG 196 Ca 0.42 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3mt0 h ARG 196 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3mt0 h ARG 196 CO -0.21 0.80 0.09 -0.92 -1.07 0.00 0.00 179.97 178.66 3mt0 h TYR 197 N 0.27 1.01 -0.55 3.04 5.03 -0.42 -2.17 116.97 123.18 3mt0 h TYR 197 Ca 0.01 -0.13 -0.10 0.00 2.58 0.00 0.00 58.73 61.09 3mt0 h TYR 197 Cb 1.03 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 3mt0 h TYR 197 CO 0.03 0.87 -0.05 0.00 -1.32 0.00 0.00 178.16 177.68 3mt0 h ARG 198 N 0.91 1.00 -0.40 1.82 3.08 -0.66 -0.92 114.38 119.19 3mt0 h ARG 198 Ca 0.18 -0.33 0.08 0.00 0.07 0.00 0.00 59.98 59.98 3mt0 h ARG 198 Cb 0.41 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 3mt0 h ARG 198 CO 0.01 1.01 -0.04 0.93 -1.07 0.00 0.00 179.97 180.82 3mt0 h GLU 199 N 0.90 0.06 -0.62 0.04 5.08 -1.02 -0.32 114.58 118.71 3mt0 h GLU 199 Ca 0.15 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3mt0 h GLU 199 Cb 0.60 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3mt0 h GLU 199 CO 0.04 0.04 0.19 0.00 -1.00 0.00 0.00 179.01 178.28 3mt0 h ALA 200 N 1.37 1.17 -0.57 3.43 0.00 -0.94 -1.64 119.26 122.08 3mt0 h ALA 200 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mt0 h ALA 200 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mt0 h ALA 200 CO -0.36 0.58 0.15 0.00 0.00 0.00 0.00 179.25 179.61 3mt0 h ARG 202 N 0.81 1.15 -0.46 0.00 2.47 -0.58 0.12 114.38 117.88 3mt0 h ARG 202 Ca 0.18 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3mt0 h ARG 202 Cb 0.33 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3mt0 h ARG 202 CO -0.00 0.78 0.09 1.15 0.56 0.00 0.00 179.97 182.55 3mt0 h THR 203 N 1.17 1.24 -0.83 2.04 2.02 -0.96 -1.51 112.91 116.08 3mt0 h THR 203 Ca 0.31 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3mt0 h THR 203 Cb -0.09 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3mt0 h THR 203 CO -0.06 0.31 0.48 0.15 0.37 0.00 0.00 175.52 176.76 3mt0 h PHE 204 N 0.63 1.11 -0.45 3.16 3.57 -0.61 0.28 116.94 124.62 3mt0 h PHE 204 Ca 0.14 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3mt0 h PHE 204 Cb 0.36 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3mt0 h PHE 204 CO 0.02 0.76 0.12 0.37 -2.23 0.00 0.00 178.31 177.36 3mt0 h GLN 205 N 1.14 0.67 0.01 1.11 4.15 -0.46 -1.20 115.11 120.53 3mt0 h GLN 205 Ca 0.29 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3mt0 h GLN 205 Cb -0.01 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.58 3mt0 h GLN 205 CO -0.05 0.60 -0.40 0.00 -1.93 0.00 0.00 178.83 177.04 3mt0 h ALA 206 N 1.49 0.03 -0.62 3.38 0.00 -0.67 0.79 119.26 123.66 3mt0 h ALA 206 Ca 0.15 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 54.64 3mt0 h ALA 206 Cb 0.22 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3mt0 h ALA 206 CO -0.01 0.19 0.23 1.49 0.00 0.00 0.00 179.25 181.15 3mt0 h GLU 207 N -0.39 0.39 -0.12 0.00 4.81 -0.78 -2.82 114.58 115.66 3mt0 h GLU 207 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3mt0 h GLU 207 Cb 1.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3mt0 h GLU 207 CO 0.08 0.26 0.00 0.66 -0.73 0.00 0.00 179.01 179.27 3mt0 n TYR 208 N -5.01 0.12 -3.51 0.92 4.01 -0.47 -4.98 117.16 108.24 3mt0 n TYR 208 Ca 0.09 -0.06 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 3mt0 n TYR 208 Cb 0.29 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.40 3mt0 n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mt0 n GLY 209 N 1.38 -0.40 3.77 2.72 0.00 0.16 -4.99 105.19 107.84 3mt0 n GLY 209 Ca 0.15 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 3mt0 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mt0 s PHE 210 N -3.38 3.46 0.76 1.61 0.08 -0.53 -5.04 117.98 114.93 3mt0 s PHE 210 Ca 0.15 0.39 -0.11 0.00 0.12 0.00 0.00 56.93 57.48 3mt0 s PHE 210 Cb -0.07 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3mt0 s PHE 210 CO 0.74 0.40 1.08 -1.54 -0.10 0.00 0.00 175.22 175.80 3mt0 s SER 211 N 0.02 4.73 0.34 1.36 1.04 -1.26 -4.82 113.70 115.11 3mt0 s SER 211 Ca 0.10 1.69 0.08 0.00 0.48 0.00 0.00 55.95 58.30 3mt0 s SER 211 Cb -0.11 -2.45 0.79 0.00 0.10 0.00 0.00 66.02 64.34 3mt0 s SER 211 CO -0.00 -1.87 1.86 0.44 0.98 0.00 0.00 173.24 174.65 3mt0 h ASP 212 N -1.02 0.69 0.61 7.02 3.32 -1.99 -2.01 116.42 123.05 3mt0 h ASP 212 Ca -0.44 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 3mt0 h ASP 212 Cb 1.23 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3mt0 h ASP 212 CO 0.54 0.34 -0.57 -0.33 -1.72 0.00 0.00 179.24 177.51 3mt0 h GLU 213 N 0.73 0.00 0.01 3.56 3.07 -2.03 -3.09 114.58 116.83 3mt0 h GLU 213 Ca 0.46 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.13 3mt0 h GLU 213 Cb 0.71 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 3mt0 h GLU 213 CO -0.22 0.57 -0.89 1.96 -1.40 0.00 0.00 179.01 179.03 3mt0 h GLN 214 N 0.00 0.05 -4.57 2.33 4.20 -1.72 -3.44 115.11 111.96 3mt0 h GLN 214 Ca -0.01 -0.06 -0.71 0.00 0.06 0.00 0.00 58.65 57.93 3mt0 h GLN 214 Cb 1.03 0.02 -0.24 0.00 0.30 0.00 0.00 27.48 28.59 3mt0 h GLN 214 CO 0.07 0.90 -0.50 -1.17 -0.67 0.00 0.00 178.83 177.46 3mt0 s LEU 215 N -7.10 4.79 -0.39 1.46 2.96 -0.87 -0.59 118.68 118.94 3mt0 s LEU 215 Ca -0.01 -1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 52.69 3mt0 s LEU 215 Cb 0.11 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.77 3mt0 s LEU 215 CO 0.81 -0.40 0.62 -1.00 -1.32 0.00 0.00 176.35 175.05 3mt0 s HIS 216 N 1.56 3.12 -0.35 5.38 3.76 0.46 -4.86 115.29 124.35 3mt0 s HIS 216 Ca 0.02 0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 55.03 3mt0 s HIS 216 Cb -0.19 -3.18 0.05 0.00 1.11 0.00 0.00 32.58 30.37 3mt0 s HIS 216 CO 0.07 -0.70 0.14 0.42 -0.85 0.00 0.00 174.74 173.82 3mt0 s ILE 217 N 2.69 3.88 0.06 0.60 1.09 -1.26 -0.82 121.20 127.44 3mt0 s ILE 217 Ca 0.23 -1.18 0.08 0.00 -1.10 0.00 0.00 60.65 58.67 3mt0 s ILE 217 Cb -0.14 -3.24 -0.03 0.00 -1.06 0.00 0.00 42.46 37.99 3mt0 s ILE 217 CO 0.16 -0.25 -0.21 -1.61 -0.10 0.00 0.00 174.94 172.93 3mt0 s GLU 218 N 1.41 1.36 -0.11 2.79 0.41 -0.60 -5.01 118.70 118.94 3mt0 s GLU 218 Ca -0.00 -1.01 -0.07 0.00 -0.41 0.00 0.00 54.97 53.47 3mt0 s GLU 218 Cb -0.20 -1.52 -0.04 0.00 -1.78 0.00 0.00 34.13 30.59 3mt0 s GLU 218 CO 0.03 0.38 0.16 -2.00 -0.49 0.00 0.00 175.26 173.34 3mt0 s GLU 219 N -1.37 3.47 0.00 1.61 2.12 -1.26 -2.20 118.70 121.06 3mt0 s GLU 219 Ca 0.08 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.30 3mt0 s GLU 219 Cb -0.09 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3mt0 s GLU 219 CO 0.02 0.77 0.00 0.41 -0.54 0.00 0.00 175.26 175.92 3mt0 n GLY 220 N 1.92 1.17 3.68 -1.50 0.00 -0.99 -4.91 105.19 104.56 3mt0 n GLY 220 Ca -0.19 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 3mt0 n GLY 220 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mt0 s PRO 221 N -1.11 4.17 0.48 1.61 0.02 -1.26 -3.93 135.00 134.98 3mt0 s PRO 221 Ca 0.00 2.44 0.17 0.00 0.02 0.00 0.00 61.00 63.63 3mt0 s PRO 221 Cb 0.00 -3.72 1.18 0.00 0.02 0.00 0.00 34.50 31.98 3mt0 s PRO 221 CO 0.00 -0.81 2.05 0.00 -0.33 0.00 0.00 177.00 177.91 3mt0 h ALA 222 N 8.86 2.10 0.00 -1.55 0.00 -1.95 -0.70 119.26 126.01 3mt0 h ALA 222 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3mt0 h ALA 222 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mt0 h ALA 222 CO 0.94 -0.19 0.00 0.38 0.00 0.00 0.00 179.25 180.38 3mt0 h ASP 223 N 0.19 0.00 0.00 0.00 2.03 -1.90 -1.80 116.42 114.94 3mt0 h ASP 223 Ca 0.17 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.21 3mt0 h ASP 223 Cb 0.43 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.88 3mt0 h ASP 223 CO -0.03 0.00 -2.00 1.33 -1.03 0.00 0.00 179.24 177.51 3mt0 n VAL 224 N -2.59 1.00 -0.17 4.15 0.24 -0.72 -4.54 118.33 115.70 3mt0 n VAL 224 Ca 0.01 -0.52 -0.05 0.00 -2.04 0.00 0.00 64.34 61.74 3mt0 n VAL 224 Cb 0.26 -0.83 0.12 0.00 -1.47 0.00 0.00 33.84 31.92 3mt0 n VAL 224 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3mt0 h LEU 225 N 0.00 0.89 -0.03 1.34 3.38 -1.03 -1.45 115.31 118.41 3mt0 h LEU 225 Ca -0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 3mt0 h LEU 225 Cb 1.78 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3mt0 h LEU 225 CO -0.01 0.90 -0.01 0.40 0.09 0.00 0.00 178.44 179.81 3mt0 h ILE 226 N 0.89 1.29 -0.34 1.22 2.04 -1.58 -1.54 117.51 119.48 3mt0 h ILE 226 Ca 0.18 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3mt0 h ILE 226 Cb 0.40 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3mt0 h ILE 226 CO 0.01 0.23 -0.07 -0.65 0.00 0.00 0.00 178.15 177.67 3mt0 h PRO 227 N -0.29 0.57 -0.58 2.37 0.11 -1.79 -1.06 132.00 131.34 3mt0 h PRO 227 Ca 0.01 -0.15 0.06 0.00 0.11 0.00 0.00 66.00 66.02 3mt0 h PRO 227 Cb 0.38 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 3mt0 h PRO 227 CO 0.00 0.65 0.29 0.00 -0.21 0.00 0.00 178.00 178.73 3mt0 h ARG 228 N 0.53 0.54 -0.28 1.05 3.08 -1.07 0.31 114.38 118.53 3mt0 h ARG 228 Ca 0.10 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 3mt0 h ARG 228 Cb 0.45 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3mt0 h ARG 228 CO 0.02 0.36 -0.48 1.15 -1.07 0.00 0.00 179.97 179.95 3mt0 h THR 229 N 0.55 1.29 -0.55 2.04 2.02 -0.94 -0.80 112.91 116.51 3mt0 h THR 229 Ca 0.26 -1.67 0.02 0.00 0.77 0.00 0.00 66.41 65.79 3mt0 h THR 229 Cb 0.18 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3mt0 h THR 229 CO -0.18 0.54 0.34 0.00 0.37 0.00 0.00 175.52 176.59 3mt0 h ALA 230 N 0.67 0.71 -0.39 6.16 0.00 -0.91 -0.43 119.26 125.07 3mt0 h ALA 230 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3mt0 h ALA 230 Cb 1.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3mt0 h ALA 230 CO 0.11 0.07 0.09 0.37 0.00 0.00 0.00 179.25 179.89 3mt0 h GLN 231 N 0.68 0.63 -0.53 0.00 5.75 -0.78 0.78 115.11 121.63 3mt0 h GLN 231 Ca 0.22 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 3mt0 h GLN 231 Cb -0.00 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3mt0 h GLN 231 CO -0.09 0.66 0.10 -0.22 -2.65 0.00 0.00 178.83 176.63 3mt0 h LYS 232 N 0.49 0.83 -0.00 1.69 1.63 -0.86 -1.85 116.57 118.50 3mt0 h LYS 232 Ca 0.12 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3mt0 h LYS 232 Cb 0.31 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3mt0 h LYS 232 CO 0.00 0.77 -0.10 1.28 -3.45 0.00 0.00 179.45 177.96 3mt0 n LEU 233 N -4.26 0.13 -3.98 5.20 4.77 -0.19 -4.91 117.00 113.76 3mt0 n LEU 233 Ca 0.04 0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 56.07 3mt0 n LEU 233 Cb 0.25 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3mt0 n LEU 233 CO 0.40 0.03 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.74 3mt0 n ASP 234 N -1.43 -2.16 -4.69 -1.43 2.03 -0.34 -4.83 116.55 103.70 3mt0 n ASP 234 Ca 0.08 -0.93 -0.43 0.00 0.52 0.00 0.00 54.79 54.03 3mt0 n ASP 234 Cb 0.32 -3.29 -0.01 0.00 -0.72 0.00 0.00 41.12 37.42 3mt0 n ASP 234 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mt0 n ALA 235 N -4.44 1.16 -0.02 -1.67 0.00 0.12 -4.64 120.51 111.01 3mt0 n ALA 235 Ca -0.13 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 3mt0 n ALA 235 Cb 0.60 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.68 3mt0 n ALA 235 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3mt0 n VAL 236 N 0.54 0.92 -4.15 0.00 3.14 -0.30 -4.33 118.33 114.15 3mt0 n VAL 236 Ca 0.06 -0.69 -0.16 0.00 -2.96 0.00 0.00 64.34 60.58 3mt0 n VAL 236 Cb 0.35 -0.44 -0.15 0.00 -1.06 0.00 0.00 33.84 32.54 3mt0 n VAL 236 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3mt0 s VAL 237 N -2.95 0.42 -0.08 1.55 1.01 -1.23 -1.16 120.40 117.95 3mt0 s VAL 237 Ca -0.07 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3mt0 s VAL 237 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3mt0 s VAL 237 CO 0.84 0.13 -0.21 -0.89 0.00 0.00 0.00 175.10 174.97 3mt0 s THR 238 N 0.06 1.81 -0.20 3.92 2.01 0.10 -0.65 115.64 122.69 3mt0 s THR 238 Ca -0.00 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3mt0 s THR 238 Cb -0.04 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3mt0 s THR 238 CO -0.00 0.51 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 3mt0 s VAL 239 N 0.27 4.31 0.10 3.82 1.01 0.94 -1.23 120.40 129.62 3mt0 s VAL 239 Ca -0.14 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3mt0 s VAL 239 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3mt0 s VAL 239 CO 0.06 0.42 -0.07 0.27 0.00 0.00 0.00 175.10 175.79 3mt0 s ILE 240 N 0.85 0.73 0.05 2.22 -4.36 -0.56 -1.18 121.20 118.95 3mt0 s ILE 240 Ca 0.02 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.57 3mt0 s ILE 240 Cb -0.14 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 3mt0 s ILE 240 CO 0.02 -0.84 -0.15 -0.83 0.24 0.00 0.00 174.94 173.39 3mt0 s GLY 241 N -2.98 1.65 1.02 6.27 0.00 -1.26 -1.05 107.32 110.97 3mt0 s GLY 241 Ca 0.11 -1.19 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 3mt0 s GLY 241 CO -0.04 -1.10 1.15 -0.51 0.00 0.00 0.00 173.10 172.59 3mt0 s THR 242 N -1.01 1.89 0.46 0.90 -4.23 -0.25 -4.80 115.64 108.60 3mt0 s THR 242 Ca 0.16 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 3mt0 s THR 242 Cb -0.11 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 3mt0 s THR 242 CO 0.07 0.00 1.43 0.68 -0.54 0.00 0.00 174.62 176.26 3mt0 s VAL 243 N -3.22 2.05 0.30 2.29 -7.23 -1.01 -4.71 120.40 108.87 3mt0 s VAL 243 Ca 0.67 0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.89 3mt0 s VAL 243 Cb -0.13 -3.03 0.20 0.00 0.56 0.00 0.00 36.38 33.99 3mt0 s VAL 243 CO 0.55 0.01 1.90 0.00 -0.31 0.00 0.00 175.10 177.25 3mt0 h ALA 244 N 2.27 1.34 -3.75 1.32 0.00 -1.94 -3.42 119.26 115.09 3mt0 h ALA 244 Ca -0.51 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 3mt0 h ALA 244 Cb 1.27 -0.25 -0.32 0.00 0.00 0.00 0.00 17.79 18.49 3mt0 h ALA 244 CO 0.61 0.51 -0.84 1.03 0.00 0.00 0.00 179.25 180.56 3mt0 s ARG 245 N -5.48 1.95 0.62 0.00 1.81 -1.26 -4.91 118.95 111.67 3mt0 s ARG 245 Ca -0.10 -0.62 -0.18 0.00 -1.72 0.00 0.00 55.73 53.11 3mt0 s ARG 245 Cb 0.16 -1.64 -0.02 0.00 -0.45 0.00 0.00 34.95 33.00 3mt0 s ARG 245 CO 0.79 0.20 1.23 0.95 -0.68 0.00 0.00 175.30 177.79 3mt0 s THR 246 N 0.19 2.46 0.47 0.02 -4.23 -1.26 -4.98 115.64 108.31 3mt0 s THR 246 Ca -0.08 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.68 3mt0 s THR 246 Cb -0.13 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.72 3mt0 s THR 246 CO 0.03 -0.07 0.64 0.61 -0.54 0.00 0.00 174.62 175.30 3mt0 n GLY 247 N 0.59 -0.13 3.74 3.99 0.00 -0.05 -4.94 105.19 108.39 3mt0 n GLY 247 Ca 0.14 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 3mt0 n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mt0 s LEU 248 N 0.00 3.67 -1.46 0.99 1.43 -1.26 -3.32 118.68 118.73 3mt0 s LEU 248 Ca 0.40 2.69 -0.08 0.00 -1.03 0.00 0.00 54.13 56.11 3mt0 s LEU 248 Cb -0.02 -4.49 0.03 0.00 0.03 0.00 0.00 46.19 41.74 3mt0 s LEU 248 CO 0.27 -1.86 0.87 -0.24 0.23 0.00 0.00 176.35 175.62 3mt0 n SER 249 N -1.59 -5.81 -0.44 2.29 2.88 -1.26 -2.34 113.62 107.35 3mt0 n SER 249 Ca 0.14 -0.47 -0.05 0.00 -1.33 0.00 0.00 58.87 57.16 3mt0 n SER 249 Cb 0.47 -4.64 -0.02 0.00 -0.75 0.00 0.00 64.21 59.27 3mt0 n SER 249 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mt0 n GLY 250 N -1.70 0.66 3.57 0.46 0.00 -1.23 -4.95 105.19 102.00 3mt0 n GLY 250 Ca -0.03 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3mt0 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mt0 s ALA 251 N -2.21 3.36 -1.17 4.61 0.00 -0.99 -4.73 121.76 120.63 3mt0 s ALA 251 Ca 0.00 -2.94 0.24 0.00 0.00 0.00 0.00 51.96 49.26 3mt0 s ALA 251 Cb 0.00 -4.61 0.31 0.00 0.00 0.00 0.00 23.12 18.83 3mt0 s ALA 251 CO 0.00 -3.27 1.28 1.47 0.00 0.00 0.00 175.76 175.24 3mt0 n LEU 252 N 8.19 0.80 -0.06 0.00 -0.00 -1.26 -0.87 117.00 123.80 3mt0 n LEU 252 Ca 0.48 -0.22 -0.15 0.00 -0.00 0.00 0.00 56.01 56.12 3mt0 n LEU 252 Cb 0.46 -0.15 -0.13 0.00 -0.00 0.00 0.00 43.42 43.60 3mt0 n LEU 252 CO 0.76 0.18 0.33 0.40 -0.00 0.00 0.00 177.39 179.06 3mt0 h ILE 253 N 0.31 1.74 0.00 1.47 1.08 -1.93 -3.32 117.51 116.87 3mt0 h ILE 253 Ca 0.00 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 3mt0 h ILE 253 Cb 0.52 3.34 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 3mt0 h ILE 253 CO 0.00 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 3mt0 n GLY 254 N 1.61 0.72 0.33 5.37 0.00 -1.26 -2.42 105.19 109.54 3mt0 n GLY 254 Ca -0.11 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 3mt0 n GLY 254 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3mt0 h ASN 255 N 0.00 0.93 0.12 1.61 -1.24 -1.98 -1.66 115.58 113.36 3mt0 h ASN 255 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3mt0 h ASN 255 Cb 0.00 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.84 3mt0 h ASN 255 CO 0.00 0.64 -0.06 0.74 -1.29 0.00 0.00 177.43 177.46 3mt0 h THR 256 N 1.09 0.94 -0.38 -3.57 2.02 -1.98 -0.89 112.91 110.14 3mt0 h THR 256 Ca 0.35 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 3mt0 h THR 256 Cb 0.00 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3mt0 h THR 256 CO -0.12 0.05 -0.04 0.00 0.37 0.00 0.00 175.52 175.79 3mt0 h ALA 257 N 0.61 1.23 0.14 6.16 0.00 -1.74 -0.74 119.26 124.91 3mt0 h ALA 257 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3mt0 h ALA 257 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mt0 h ALA 257 CO 0.03 0.51 -0.07 0.93 0.00 0.00 0.00 179.25 180.65 3mt0 h GLU 258 N 0.58 -0.18 -0.06 0.00 5.08 -1.00 0.11 114.58 119.12 3mt0 h GLU 258 Ca 0.12 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3mt0 h GLU 258 Cb 0.42 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3mt0 h GLU 258 CO 0.02 -0.11 0.02 0.28 -1.00 0.00 0.00 179.01 178.22 3mt0 h VAL 259 N -0.20 1.13 -0.38 3.13 2.07 -0.93 -2.72 116.25 118.35 3mt0 h VAL 259 Ca -0.02 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3mt0 h VAL 259 Cb 0.16 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3mt0 h VAL 259 CO 0.03 0.11 0.15 0.58 0.02 0.00 0.00 177.57 178.46 3mt0 h VAL 260 N -0.06 0.92 0.00 2.57 2.07 -1.09 -2.12 116.25 118.54 3mt0 h VAL 260 Ca 0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3mt0 h VAL 260 Cb 0.15 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3mt0 h VAL 260 CO -0.00 0.06 -0.06 -0.07 0.02 0.00 0.00 177.57 177.52 3mt0 h LEU 261 N 0.32 0.00 -0.97 2.57 3.38 -0.91 -0.03 115.31 119.67 3mt0 h LEU 261 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mt0 h LEU 261 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3mt0 h LEU 261 CO -0.15 0.06 -0.05 0.47 0.09 0.00 0.00 178.44 178.86 3mt0 n ASP 262 N -4.28 1.55 -0.01 -0.43 8.00 -0.85 -4.34 116.55 116.20 3mt0 n ASP 262 Ca -0.03 -1.44 -0.01 0.00 0.71 0.00 0.00 54.79 54.02 3mt0 n ASP 262 Cb 0.14 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 3mt0 n ASP 262 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mt0 n THR 263 N 0.14 0.11 -1.74 -3.53 -1.04 -0.65 -3.48 114.28 104.09 3mt0 n THR 263 Ca 0.17 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.75 3mt0 n THR 263 Cb 0.37 -0.59 0.04 0.00 -1.82 0.00 0.00 70.33 68.33 3mt0 n THR 263 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3mt0 n LEU 264 N -2.53 5.18 -0.00 -4.42 4.77 -0.12 -4.92 117.00 114.97 3mt0 n LEU 264 Ca -0.03 1.01 0.10 0.00 -0.03 0.00 0.00 56.01 57.06 3mt0 n LEU 264 Cb 0.54 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 3mt0 n LEU 264 CO 0.02 -0.57 -0.23 -0.62 -1.33 0.00 0.00 177.39 174.66 3mt0 n GLU 265 N -0.73 0.18 -1.82 3.23 1.02 -1.26 -4.92 120.64 116.33 3mt0 n GLU 265 Ca 0.09 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 3mt0 n GLU 265 Cb 0.43 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 3mt0 n GLU 265 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3mt0 s SER 266 N -3.42 5.76 0.73 1.62 1.04 -1.26 -3.87 113.70 114.30 3mt0 s SER 266 Ca 0.04 1.33 -0.16 0.00 0.48 0.00 0.00 55.95 57.64 3mt0 s SER 266 Cb 0.15 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 64.02 3mt0 s SER 266 CO 0.88 -1.16 0.96 0.47 0.98 0.00 0.00 173.24 175.37 3mt0 n ASP 267 N -2.92 0.43 -3.92 7.02 9.92 -0.31 -4.31 116.55 122.45 3mt0 n ASP 267 Ca 0.07 0.66 -0.25 0.00 -0.53 0.00 0.00 54.79 54.73 3mt0 n ASP 267 Cb 0.55 -1.40 -0.17 0.00 -0.64 0.00 0.00 41.12 39.46 3mt0 n ASP 267 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mt0 s VAL 268 N -1.83 0.96 -0.27 2.53 1.01 -1.26 -0.72 120.40 120.80 3mt0 s VAL 268 Ca 0.73 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 3mt0 s VAL 268 Cb -0.34 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3mt0 s VAL 268 CO 0.51 0.34 0.30 -0.22 0.00 0.00 0.00 175.10 176.03 3mt0 s LEU 269 N 1.40 4.04 -0.29 3.92 2.96 -0.36 -4.28 118.68 126.06 3mt0 s LEU 269 Ca -0.01 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 3mt0 s LEU 269 Cb -0.13 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.26 3mt0 s LEU 269 CO -0.04 -0.13 0.10 -0.69 -1.32 0.00 0.00 176.35 174.26 3mt0 s VAL 270 N 1.94 4.16 0.12 1.68 1.01 0.38 -1.50 120.40 128.19 3mt0 s VAL 270 Ca 0.12 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3mt0 s VAL 270 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3mt0 s VAL 270 CO 0.10 0.11 0.04 -0.76 0.00 0.00 0.00 175.10 174.59 3mt0 s LEU 271 N 1.54 3.56 0.22 3.92 1.43 -0.22 -2.16 118.68 126.97 3mt0 s LEU 271 Ca 0.04 -0.19 0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3mt0 s LEU 271 Cb -0.17 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 3mt0 s LEU 271 CO 0.03 0.13 -0.22 -0.54 0.23 0.00 0.00 176.35 175.99 3mt0 s LYS 272 N -2.63 1.54 0.52 1.70 1.02 -1.26 -1.08 119.74 119.55 3mt0 s LYS 272 Ca 0.28 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 3mt0 s LYS 272 Cb -0.11 -1.73 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 3mt0 s LYS 272 CO 0.20 0.35 1.19 -2.30 -0.92 0.00 0.00 175.35 173.87 3mt0 n PRO 273 N -0.06 1.48 -0.25 -1.68 -0.02 -1.26 -4.76 135.00 128.45 3mt0 n PRO 273 Ca -0.10 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 3mt0 n PRO 273 Cb 0.58 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.85 3mt0 n PRO 273 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3mt0 h ASP 274 N 1.32 0.40 0.45 2.55 3.32 -1.95 -1.20 116.42 121.31 3mt0 h ASP 274 Ca -0.49 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3mt0 h ASP 274 Cb 1.32 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3mt0 h ASP 274 CO 0.56 0.21 -0.46 -2.24 -1.72 0.00 0.00 179.24 175.59 3mt0 h ASP 275 N 0.55 0.02 -0.05 6.45 2.03 -1.96 -1.20 116.42 122.26 3mt0 h ASP 275 Ca 0.37 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.65 3mt0 h ASP 275 Cb 0.44 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.93 3mt0 h ASP 275 CO -0.31 0.48 0.01 0.40 -1.03 0.00 0.00 179.24 178.79 3mt0 h ILE 276 N 0.01 1.21 -0.53 4.15 1.08 -1.65 -2.32 117.51 119.46 3mt0 h ILE 276 Ca -0.00 -0.62 0.09 0.00 -0.39 0.00 0.00 64.86 63.94 3mt0 h ILE 276 Cb 0.83 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 36.03 3mt0 h ILE 276 CO 0.06 0.17 0.11 0.40 -0.69 0.00 0.00 178.15 178.20 3mt0 h ILE 277 N -0.15 0.71 -0.56 -0.67 1.08 -1.03 0.72 117.51 117.61 3mt0 h ILE 277 Ca 0.02 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 3mt0 h ILE 277 Cb 0.26 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 3mt0 h ILE 277 CO 0.00 0.05 0.26 0.00 -0.69 0.00 0.00 178.15 177.77 3mt0 h ALA 278 N 1.41 0.73 -0.19 1.87 0.00 -1.12 0.34 119.26 122.30 3mt0 h ALA 278 Ca 0.27 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3mt0 h ALA 278 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mt0 h ALA 278 CO -0.34 -0.11 -0.52 0.45 0.00 0.00 0.00 179.25 178.73 3mt0 h HIS 279 N 0.49 0.65 -0.14 0.00 3.86 -0.81 -2.24 115.15 116.96 3mt0 h HIS 279 Ca 0.26 -0.22 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 3mt0 h HIS 279 Cb 0.23 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3mt0 h HIS 279 CO -0.12 0.93 -0.41 -0.07 0.86 0.00 0.00 177.93 179.12 3mt0 h LEU 280 N 0.41 0.34 -0.59 2.43 3.38 -0.31 -1.81 115.31 119.15 3mt0 h LEU 280 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3mt0 h LEU 280 Cb 1.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3mt0 h LEU 280 CO 0.10 0.71 0.38 -0.08 0.09 0.00 0.00 178.44 179.64 3mt0 h GLU 281 N 0.27 0.79 -0.40 1.13 4.57 -0.11 -0.47 114.58 120.36 3mt0 h GLU 281 Ca 0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3mt0 h GLU 281 Cb 0.84 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3mt0 h GLU 281 CO 0.07 0.55 0.26 0.93 -1.18 0.00 0.00 179.01 179.64 3mt0 h GLU 282 N 0.80 0.54 -0.57 1.92 5.08 -1.06 -2.27 114.58 119.02 3mt0 h GLU 282 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mt0 h GLU 282 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3mt0 h GLU 282 CO -0.04 0.37 0.36 -0.07 -1.00 0.00 0.00 179.01 178.62 3mt0 h LEU 283 N 0.54 0.67 -1.63 1.33 3.38 -1.03 -2.64 115.31 115.93 3mt0 h LEU 283 Ca 0.15 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3mt0 h LEU 283 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3mt0 h LEU 283 CO -0.03 0.51 -0.15 0.00 0.09 0.00 0.00 178.44 178.87 3mt0 h ALA 284 N 1.19 1.15 0.04 1.53 0.00 -0.89 -2.86 119.26 119.42 3mt0 h ALA 284 Ca 0.21 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 3mt0 h ALA 284 Cb -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3mt0 h ALA 284 CO -0.04 0.18 -1.04 0.77 0.00 0.00 0.00 179.25 179.12 3mt0 h SER 285 N 0.00 0.18 -0.96 0.00 0.02 -1.06 -3.26 113.55 108.48 3mt0 h SER 285 Ca -0.00 -0.18 0.13 0.00 -0.84 0.00 0.00 61.79 60.90 3mt0 h SER 285 Cb 0.49 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.89 3mt0 h SER 285 CO 0.02 1.10 0.61 0.11 -1.14 0.00 0.00 176.83 177.53 3mt0 h LYS 286 N 0.04 0.86 0.00 3.45 1.57 -1.28 -3.52 116.57 117.70 3mt0 h LYS 286 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3mt0 h LYS 286 Cb 1.77 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.89 3mt0 h LYS 286 CO 0.15 0.57 0.00 0.39 -0.57 0.00 0.00 179.45 179.99