#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2a s ASP 2 N 0.00 3.22 0.19 6.12 2.15 -1.26 -4.89 116.67 122.21 1i2a s ASP 2 Ca 0.00 0.66 -0.10 0.00 0.43 0.00 0.00 52.55 53.54 1i2a s ASP 2 Cb 0.00 -1.01 0.12 0.00 -0.30 0.00 0.00 42.92 41.74 1i2a s ASP 2 CO 0.00 -2.70 1.78 -0.09 -0.17 0.00 0.00 175.17 173.99 1i2a h ARG 3 N -1.61 1.02 -0.76 4.34 2.43 -2.00 -2.61 114.38 115.18 1i2a h ARG 3 Ca -0.47 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 58.58 1i2a h ARG 3 Cb 1.30 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1i2a h ARG 3 CO 0.51 0.81 0.48 1.49 -1.51 0.00 0.00 179.97 181.75 1i2a h GLU 4 N 0.99 0.90 -0.32 0.20 4.57 -1.98 0.33 114.58 119.26 1i2a h GLU 4 Ca 0.24 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1i2a h GLU 4 Cb 0.13 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1i2a h GLU 4 CO -0.03 0.59 -0.12 0.00 -1.18 0.00 0.00 179.01 178.27 1i2a h ALA 5 N 1.33 1.20 -0.29 2.92 0.00 -1.89 -0.09 119.26 122.43 1i2a h ALA 5 Ca 0.31 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1i2a h ALA 5 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i2a h ALA 5 CO -0.12 0.52 -0.43 -0.07 0.00 0.00 0.00 179.25 179.15 1i2a h LEU 6 N 0.51 0.88 -1.01 0.00 3.38 -0.90 -1.50 115.31 116.66 1i2a h LEU 6 Ca 0.09 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1i2a h LEU 6 Cb 0.51 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i2a h LEU 6 CO 0.03 1.22 0.49 -0.07 0.09 0.00 0.00 178.44 180.20 1i2a h LEU 7 N 0.57 1.05 -0.42 1.67 3.38 0.10 -1.07 115.31 120.59 1i2a h LEU 7 Ca 0.03 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1i2a h LEU 7 Cb 1.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1i2a h LEU 7 CO 0.10 0.82 -0.39 -0.61 0.09 0.00 0.00 178.44 178.45 1i2a h GLN 8 N 1.19 0.90 -0.55 1.13 5.75 -0.91 -1.63 115.11 120.99 1i2a h GLN 8 Ca 0.30 -0.48 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1i2a h GLN 8 Cb -0.01 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1i2a h GLN 8 CO -0.05 1.13 0.18 0.00 -2.65 0.00 0.00 178.83 177.43 1i2a h ALA 9 N 0.81 0.72 -0.36 3.38 0.00 -0.76 -1.01 119.26 122.04 1i2a h ALA 9 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i2a h ALA 9 Cb 0.98 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1i2a h ALA 9 CO 0.09 0.38 0.13 0.28 0.00 0.00 0.00 179.25 180.13 1i2a h VAL 10 N 0.77 1.20 -0.31 0.00 2.07 -1.13 -0.69 116.25 118.15 1i2a h VAL 10 Ca 0.18 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1i2a h VAL 10 Cb 0.27 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1i2a h VAL 10 CO -0.01 0.22 0.10 0.50 0.02 0.00 0.00 177.57 178.40 1i2a h LYS 11 N 0.44 0.22 -0.31 1.57 3.64 -1.09 -1.07 116.57 119.98 1i2a h LYS 11 Ca 0.12 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1i2a h LYS 11 Cb 0.22 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1i2a h LYS 11 CO -0.01 0.15 0.02 1.49 -2.27 0.00 0.00 179.45 178.83 1i2a h GLU 12 N 0.23 0.53 -0.74 1.90 4.81 -1.04 0.20 114.58 120.48 1i2a h GLU 12 Ca 0.14 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1i2a h GLU 12 Cb 0.12 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1i2a h GLU 12 CO -0.15 0.65 0.42 0.00 -0.73 0.00 0.00 179.01 179.20 1i2a h ALA 13 N 0.86 1.00 -0.07 2.92 0.00 -0.95 0.30 119.26 123.33 1i2a h ALA 13 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i2a h ALA 13 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1i2a h ALA 13 CO 0.01 0.11 0.03 -0.09 0.00 0.00 0.00 179.25 179.31 1i2a h ARG 14 N 0.77 0.11 -0.08 0.00 9.65 -0.95 -2.91 114.38 120.97 1i2a h ARG 14 Ca 0.33 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 59.04 1i2a h ARG 14 Cb 0.21 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1i2a h ARG 14 CO -0.19 0.22 -0.63 0.93 2.80 0.00 0.00 179.97 183.10 1i2a h GLU 15 N -0.03 0.29 0.00 0.20 5.08 -0.35 -3.20 114.58 116.57 1i2a h GLU 15 Ca 0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1i2a h GLU 15 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i2a h GLU 15 CO -0.00 0.82 0.00 1.28 -1.00 0.00 0.00 179.01 180.11 1i2a n LEU 16 N -3.87 0.53 -4.68 1.33 4.77 0.10 -4.78 117.00 110.41 1i2a n LEU 16 Ca -0.03 0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1i2a n LEU 16 Cb 0.64 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1i2a n LEU 16 CO 0.45 -0.20 0.61 0.00 -1.33 0.00 0.00 177.39 176.92 1i2a s ALA 17 N -3.10 3.49 0.19 -1.18 0.00 -1.10 -4.66 121.76 115.40 1i2a s ALA 17 Ca 0.10 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1i2a s ALA 17 Cb 0.13 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1i2a s ALA 17 CO 0.52 -0.60 1.50 0.15 0.00 0.00 0.00 175.76 177.33 1i2a s LYS 18 N 2.01 4.25 0.64 0.00 1.02 -1.26 -4.94 119.74 121.46 1i2a s LYS 18 Ca 0.39 2.30 -0.17 0.00 0.02 0.00 0.00 55.97 58.51 1i2a s LYS 18 Cb -0.17 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1i2a s LYS 18 CO 0.13 -0.51 0.91 -2.30 -0.92 0.00 0.00 175.35 172.66 1i2a n PRO 19 N 3.33 0.72 -4.04 -1.68 -0.02 -1.26 -4.95 135.00 127.10 1i2a n PRO 19 Ca 0.11 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 1i2a n PRO 19 Cb 0.40 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1i2a n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1i2a s ARG 20 N -2.89 1.06 0.00 -0.52 0.52 -1.26 -5.05 118.95 110.82 1i2a s ARG 20 Ca 0.75 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1i2a s ARG 20 Cb -0.39 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1i2a s ARG 20 CO 0.48 -0.35 1.73 0.09 0.02 0.00 0.00 175.30 177.27 1i2a n ASN 21 N -0.16 4.70 -3.55 0.23 3.02 -1.26 -4.77 115.26 113.48 1i2a n ASN 21 Ca -0.06 -2.29 -0.14 0.00 -0.03 0.00 0.00 54.58 52.06 1i2a n ASN 21 Cb 0.63 -0.96 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 1i2a n ASN 21 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1i2a s PHE 22 N 0.03 -0.50 -0.26 3.10 -0.12 -1.26 -5.12 117.98 113.85 1i2a s PHE 22 Ca 0.00 0.83 -0.29 0.00 -0.05 0.00 0.00 56.93 57.42 1i2a s PHE 22 Cb 0.00 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1i2a s PHE 22 CO 0.00 -0.48 1.61 0.99 -0.05 0.00 0.00 175.22 177.29 1i2a s THR 23 N -1.28 3.71 0.47 -4.49 2.01 -1.26 -4.99 115.64 109.81 1i2a s THR 23 Ca -0.06 0.78 -0.15 0.00 0.31 0.00 0.00 61.69 62.57 1i2a s THR 23 Cb -0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 1i2a s THR 23 CO 0.05 -0.37 0.92 -1.10 -0.69 0.00 0.00 174.62 173.42 1i2a s GLN 24 N 4.84 3.94 0.12 4.92 -0.21 -1.26 -4.92 119.66 127.09 1i2a s GLN 24 Ca 0.71 0.84 0.04 0.00 0.02 0.00 0.00 55.36 56.97 1i2a s GLN 24 Cb -0.23 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1i2a s GLN 24 CO 0.30 -0.17 0.09 -1.12 -2.12 0.00 0.00 175.29 172.28 1i2a s SER 25 N -2.96 5.45 -0.09 5.90 0.01 -1.26 -1.52 113.70 119.23 1i2a s SER 25 Ca 0.57 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1i2a s SER 25 Cb -0.10 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 1i2a s SER 25 CO 0.29 0.12 0.47 -0.36 0.41 0.00 0.00 173.24 174.17 1i2a s PHE 26 N -1.56 3.56 -0.06 2.43 0.08 0.26 -0.63 117.98 122.06 1i2a s PHE 26 Ca 0.30 0.93 0.05 0.00 0.12 0.00 0.00 56.93 58.32 1i2a s PHE 26 Cb -0.11 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.81 1i2a s PHE 26 CO 0.22 0.27 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.20 1i2a s GLU 27 N 0.26 2.56 -0.20 0.44 0.41 0.41 -1.17 118.70 121.42 1i2a s GLU 27 Ca 0.26 -0.81 -0.06 0.00 -0.41 0.00 0.00 54.97 53.94 1i2a s GLU 27 Cb -0.16 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 29.89 1i2a s GLU 27 CO 0.11 0.47 0.03 0.12 -0.49 0.00 0.00 175.26 175.50 1i2a s PHE 28 N -0.36 3.10 -0.09 1.61 5.36 0.78 -1.90 117.98 126.48 1i2a s PHE 28 Ca 0.03 -0.27 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1i2a s PHE 28 Cb -0.12 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 1i2a s PHE 28 CO 0.02 -0.12 -0.20 0.42 -1.46 0.00 0.00 175.22 173.88 1i2a s ILE 29 N 0.84 2.42 -0.03 3.12 1.01 -0.00 -1.14 121.20 127.42 1i2a s ILE 29 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1i2a s ILE 29 Cb -0.14 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1i2a s ILE 29 CO 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 174.94 175.51 1i2a s ALA 30 N 0.13 0.35 0.09 9.38 0.00 -0.69 0.62 121.76 131.65 1i2a s ALA 30 Ca -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1i2a s ALA 30 Cb -0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1i2a s ALA 30 CO 0.06 -0.05 0.26 0.95 0.00 0.00 0.00 175.76 176.98 1i2a s THR 31 N 0.89 5.33 0.03 0.00 -4.23 0.02 -1.67 115.64 116.02 1i2a s THR 31 Ca -0.09 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1i2a s THR 31 Cb -0.13 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1i2a s THR 31 CO -0.01 0.07 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.24 1i2a s LEU 32 N -2.68 2.79 0.09 4.79 1.43 -0.01 -0.23 118.68 124.85 1i2a s LEU 32 Ca 0.36 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1i2a s LEU 32 Cb -0.12 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1i2a s LEU 32 CO 0.28 0.27 -0.24 -1.59 0.23 0.00 0.00 176.35 175.30 1i2a s LYS 33 N -1.40 1.71 -1.46 1.70 -2.85 0.16 -4.73 119.74 112.86 1i2a s LYS 33 Ca 0.15 -1.18 -0.12 0.00 -1.00 0.00 0.00 55.97 53.82 1i2a s LYS 33 Cb -0.11 -2.01 0.05 0.00 -2.06 0.00 0.00 37.83 33.71 1i2a s LYS 33 CO 0.06 0.49 1.07 0.39 0.10 0.00 0.00 175.35 177.45 1i2a n GLU 34 N 1.27 -6.57 -3.83 1.78 1.02 -1.26 -4.62 120.64 108.43 1i2a n GLU 34 Ca -0.17 0.70 -0.27 0.00 -0.02 0.00 0.00 57.16 57.40 1i2a n GLU 34 Cb 0.52 -5.67 -0.17 0.00 -0.02 0.00 0.00 31.44 26.11 1i2a n GLU 34 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i2a s ILE 35 N -3.30 0.82 -0.64 -3.67 -1.09 -1.26 -5.06 121.20 106.99 1i2a s ILE 35 Ca 0.63 -0.44 -0.25 0.00 -2.23 0.00 0.00 60.65 58.37 1i2a s ILE 35 Cb -0.30 -1.06 0.05 0.00 -1.58 0.00 0.00 42.46 39.57 1i2a s ILE 35 CO 0.78 0.09 1.06 -0.62 -1.23 0.00 0.00 174.94 175.01 1i2a s ASP 36 N 1.76 6.24 0.00 3.58 2.15 -1.26 -4.89 116.67 124.25 1i2a s ASP 36 Ca 0.01 -0.59 0.19 0.00 0.43 0.00 0.00 52.55 52.60 1i2a s ASP 36 Cb -0.15 -2.47 1.15 0.00 -0.30 0.00 0.00 42.92 41.15 1i2a s ASP 36 CO -0.07 -1.49 1.57 0.80 -0.17 0.00 0.00 175.17 175.81 1i2a n MET 37 N 8.12 0.68 0.17 4.34 1.56 -1.26 -2.41 117.12 128.32 1i2a n MET 37 Ca 0.00 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.49 1i2a n MET 37 Cb 0.47 -1.44 0.20 0.00 2.15 0.00 0.00 33.22 34.60 1i2a n MET 37 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1i2a h ARG 38 N 0.00 0.00 -5.80 2.12 3.08 -1.90 -3.41 114.38 108.47 1i2a h ARG 38 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1i2a h ARG 38 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1i2a h ARG 38 CO 0.00 0.39 0.41 0.15 -1.07 0.00 0.00 179.97 179.84 1i2a s LYS 39 N -3.27 3.88 0.44 0.04 1.02 -1.01 -4.95 119.74 115.90 1i2a s LYS 39 Ca 0.02 0.49 0.20 0.00 0.02 0.00 0.00 55.97 56.71 1i2a s LYS 39 Cb 0.09 -3.76 1.16 0.00 -0.52 0.00 0.00 37.83 34.80 1i2a s LYS 39 CO 0.70 -0.76 1.84 -1.35 -0.92 0.00 0.00 175.35 174.87 1i2a h PRO 40 N 8.27 0.32 0.00 -1.68 0.11 -1.88 -0.79 132.00 136.35 1i2a h PRO 40 Ca -0.24 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1i2a h PRO 40 Cb 1.09 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i2a h PRO 40 CO 0.90 0.21 -0.11 1.05 -0.21 0.00 0.00 178.00 179.84 1i2a h GLU 41 N 0.33 0.00 0.00 1.05 4.11 -1.93 -2.56 114.58 115.57 1i2a h GLU 41 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1i2a h GLU 41 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1i2a h GLU 41 CO -0.17 0.11 -0.00 -0.91 0.07 0.00 0.00 179.01 178.11 1i2a h ASN 42 N 0.00 0.00 -4.12 3.06 2.35 -1.41 -3.46 115.58 112.01 1i2a h ASN 42 Ca -0.00 -0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 1i2a h ASN 42 Cb 0.25 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.66 1i2a h ASN 42 CO 0.01 0.00 0.39 -0.13 -1.65 0.00 0.00 177.43 176.05 1i2a s ARG 43 N -3.14 3.57 -0.11 0.81 0.52 -0.97 -4.95 118.95 114.68 1i2a s ARG 43 Ca 0.09 1.34 0.02 0.00 -0.52 0.00 0.00 55.73 56.66 1i2a s ARG 43 Cb 0.10 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 1i2a s ARG 43 CO 0.62 -0.63 -0.17 0.42 0.02 0.00 0.00 175.30 175.57 1i2a s ILE 44 N -2.12 2.76 -0.47 1.52 1.01 -1.26 -5.00 121.20 117.64 1i2a s ILE 44 Ca 0.67 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1i2a s ILE 44 Cb -0.17 -2.12 0.20 0.00 0.01 0.00 0.00 42.46 40.37 1i2a s ILE 44 CO 0.27 0.54 0.60 1.17 0.00 0.00 0.00 174.94 177.52 1i2a n LYS 45 N 3.37 0.47 -4.47 2.79 4.81 -1.19 -0.95 118.16 123.00 1i2a n LYS 45 Ca -0.18 -2.49 -0.20 0.00 -0.87 0.00 0.00 58.31 54.56 1i2a n LYS 45 Cb 0.53 -1.51 -0.15 0.00 0.02 0.00 0.00 35.03 33.92 1i2a n LYS 45 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1i2a s THR 46 N 0.37 0.93 0.32 3.15 2.01 -0.61 -4.97 115.64 116.84 1i2a s THR 46 Ca 0.32 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1i2a s THR 46 Cb 0.06 -0.79 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1i2a s THR 46 CO -0.13 0.20 0.86 -1.61 -0.69 0.00 0.00 174.62 173.25 1i2a s GLU 47 N -0.45 4.36 -0.06 4.92 2.02 -1.26 -1.00 118.70 127.24 1i2a s GLU 47 Ca 0.04 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.12 1i2a s GLU 47 Cb -0.05 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1i2a s GLU 47 CO -0.00 0.24 -0.05 0.08 0.02 0.00 0.00 175.26 175.55 1i2a s VAL 48 N -1.74 0.62 -0.40 2.63 1.01 0.44 -4.94 120.40 118.02 1i2a s VAL 48 Ca 0.51 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 1i2a s VAL 48 Cb -0.15 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1i2a s VAL 48 CO 0.20 0.26 0.89 -0.69 0.00 0.00 0.00 175.10 175.77 1i2a s VAL 49 N 1.22 4.58 -0.07 2.92 1.01 -1.26 -1.31 120.40 127.48 1i2a s VAL 49 Ca -0.06 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1i2a s VAL 49 Cb -0.14 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1i2a s VAL 49 CO -0.02 -0.62 1.22 -0.76 0.00 0.00 0.00 175.10 174.93 1i2a s LEU 50 N 3.49 4.26 0.30 3.92 1.43 0.42 -4.93 118.68 127.57 1i2a s LEU 50 Ca 0.36 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 55.32 1i2a s LEU 50 Cb -0.12 -3.55 0.81 0.00 0.03 0.00 0.00 46.19 43.36 1i2a s LEU 50 CO 0.21 -0.63 1.64 -0.65 0.23 0.00 0.00 176.35 177.15 1i2a h PRO 51 N 7.63 0.20 -0.30 1.29 0.11 -1.87 -1.23 132.00 137.82 1i2a h PRO 51 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1i2a h PRO 51 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i2a h PRO 51 CO 0.90 0.13 0.00 0.72 -0.21 0.00 0.00 178.00 179.54 1i2a n HIS 52 N -5.22 0.76 0.00 0.65 8.25 -1.26 -5.09 115.22 113.31 1i2a n HIS 52 Ca 0.24 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1i2a n HIS 52 Cb 0.77 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1i2a n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i2a n GLY 53 N -0.06 -1.05 0.25 -1.41 0.00 -0.47 -4.53 105.19 97.92 1i2a n GLY 53 Ca 0.17 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1i2a n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i2a n ARG 54 N -0.87 0.72 0.00 1.61 1.74 -1.26 -4.42 116.66 114.18 1i2a n ARG 54 Ca 0.00 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 1i2a n ARG 54 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1i2a n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2a n GLY 55 N 1.41 2.77 3.35 -0.13 0.00 -1.26 -3.85 105.19 107.46 1i2a n GLY 55 Ca 0.09 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1i2a n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i2a s LYS 56 N 0.00 3.34 0.62 1.61 2.20 -1.26 -4.99 119.74 121.26 1i2a s LYS 56 Ca 0.00 -0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 1i2a s LYS 56 Cb 0.00 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1i2a s LYS 56 CO 0.00 0.18 1.12 0.39 -0.36 0.00 0.00 175.35 176.68 1i2a n GLU 57 N 3.61 1.02 -2.49 4.03 1.02 -1.26 -4.95 120.64 121.62 1i2a n GLU 57 Ca -0.18 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.00 1i2a n GLU 57 Cb 0.53 -2.33 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 1i2a n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i2a s ALA 58 N -1.45 2.96 -0.12 0.62 0.00 -0.21 -5.01 121.76 118.55 1i2a s ALA 58 Ca 0.78 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1i2a s ALA 58 Cb -0.40 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1i2a s ALA 58 CO 0.44 -0.35 0.47 0.15 0.00 0.00 0.00 175.76 176.48 1i2a s LYS 59 N -2.87 4.34 -0.03 0.00 1.02 -1.26 -4.62 119.74 116.32 1i2a s LYS 59 Ca 0.63 0.44 0.07 0.00 0.02 0.00 0.00 55.97 57.13 1i2a s LYS 59 Cb -0.21 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1i2a s LYS 59 CO 0.25 0.16 -0.22 0.42 -0.92 0.00 0.00 175.35 175.04 1i2a s ILE 60 N 0.62 2.38 0.03 2.17 1.01 -1.26 -0.48 121.20 125.67 1i2a s ILE 60 Ca 0.26 -0.98 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1i2a s ILE 60 Cb -0.15 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1i2a s ILE 60 CO 0.10 0.58 -0.26 0.00 0.00 0.00 0.00 174.94 175.37 1i2a s ALA 61 N -0.63 2.27 -0.13 9.38 0.00 -0.31 -3.35 121.76 129.00 1i2a s ALA 61 Ca 0.10 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1i2a s ALA 61 Cb -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1i2a s ALA 61 CO -0.00 0.54 -0.20 0.08 0.00 0.00 0.00 175.76 176.17 1i2a s VAL 62 N -0.78 2.32 -0.29 0.00 1.01 0.02 -0.68 120.40 122.01 1i2a s VAL 62 Ca 0.12 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1i2a s VAL 62 Cb -0.10 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1i2a s VAL 62 CO 0.02 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.09 1i2a s ILE 63 N 0.62 3.82 -1.03 2.22 1.01 0.70 -0.76 121.20 127.77 1i2a s ILE 63 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1i2a s ILE 63 Cb -0.16 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1i2a s ILE 63 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1i2a n GLY 64 N 4.84 -1.21 0.34 6.18 0.00 -0.65 -1.48 105.19 113.22 1i2a n GLY 64 Ca -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 1i2a n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i2a n THR 65 N 1.85 0.00 -3.44 2.61 -2.24 -1.26 -3.65 114.28 108.15 1i2a n THR 65 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1i2a n THR 65 Cb 0.00 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1i2a n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i2a n GLY 66 N -0.07 2.64 0.11 3.38 0.00 -1.26 -2.18 105.19 107.82 1i2a n GLY 66 Ca 0.01 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1i2a n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i2a n ASP 67 N 0.58 0.66 -0.06 1.61 2.03 -1.26 -2.45 116.55 117.67 1i2a n ASP 67 Ca 0.00 0.62 -0.14 0.00 0.52 0.00 0.00 54.79 55.79 1i2a n ASP 67 Cb 0.00 -0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 39.56 1i2a n ASP 67 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1i2a h LEU 68 N 0.00 0.62 -0.74 -2.67 5.85 -1.65 -0.95 115.31 115.78 1i2a h LEU 68 Ca 0.00 -0.55 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 1i2a h LEU 68 Cb 0.49 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1i2a h LEU 68 CO 0.00 1.06 -0.08 0.00 -0.34 0.00 0.00 178.44 179.08 1i2a h ALA 69 N 0.59 0.93 -0.19 1.25 0.00 -1.35 -1.52 119.26 118.97 1i2a h ALA 69 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1i2a h ALA 69 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1i2a h ALA 69 CO 0.08 0.63 0.09 0.87 0.00 0.00 0.00 179.25 180.91 1i2a h LYS 70 N 0.80 0.27 -0.76 0.00 1.79 -1.38 -1.11 116.57 116.18 1i2a h LYS 70 Ca 0.14 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1i2a h LYS 70 Cb 0.59 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1i2a h LYS 70 CO 0.04 0.31 0.49 1.96 -1.08 0.00 0.00 179.45 181.16 1i2a h GLN 71 N 0.17 0.93 -0.80 3.15 4.20 -1.00 0.02 115.11 121.78 1i2a h GLN 71 Ca 0.06 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1i2a h GLN 71 Cb 0.13 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1i2a h GLN 71 CO -0.01 0.62 0.52 0.00 -0.67 0.00 0.00 178.83 179.30 1i2a h ALA 72 N 1.31 1.03 -0.68 3.87 0.00 -0.98 -0.04 119.26 123.77 1i2a h ALA 72 Ca 0.30 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1i2a h ALA 72 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1i2a h ALA 72 CO -0.10 0.39 0.17 0.93 0.00 0.00 0.00 179.25 180.64 1i2a h GLU 73 N 1.05 1.08 -0.22 0.00 5.08 -0.23 0.50 114.58 121.85 1i2a h GLU 73 Ca 0.30 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1i2a h GLU 73 Cb -0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1i2a h GLU 73 CO -0.08 0.96 -0.09 0.93 -1.00 0.00 0.00 179.01 179.73 1i2a h GLU 74 N 1.01 0.34 -0.13 2.33 5.08 -0.32 -1.84 114.58 121.05 1i2a h GLU 74 Ca 0.21 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i2a h GLU 74 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1i2a h GLU 74 CO 0.00 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.73 1i2a n LEU 75 N -4.27 1.25 -1.61 1.33 4.77 -0.09 -4.91 117.00 113.46 1i2a n LEU 75 Ca 0.00 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 1i2a n LEU 75 Cb 0.26 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1i2a n LEU 75 CO 0.38 0.26 -0.14 0.61 -1.33 0.00 0.00 177.39 177.18 1i2a n GLY 76 N 1.03 -0.16 3.96 -0.72 0.00 -0.69 -5.02 105.19 103.59 1i2a n GLY 76 Ca 0.15 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1i2a n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i2a s LEU 77 N -3.93 4.26 0.21 0.99 1.43 0.12 -5.02 118.68 116.74 1i2a s LEU 77 Ca 0.04 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1i2a s LEU 77 Cb -0.02 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.14 1i2a s LEU 77 CO 0.05 -0.09 1.35 -0.89 0.23 0.00 0.00 176.35 176.99 1i2a s THR 78 N -2.00 3.06 -0.08 5.49 2.01 -1.21 -4.50 115.64 118.41 1i2a s THR 78 Ca 0.35 0.87 0.05 0.00 0.31 0.00 0.00 61.69 63.28 1i2a s THR 78 Cb -0.10 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1i2a s THR 78 CO 0.30 0.13 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.44 1i2a s VAL 79 N 0.10 2.13 -0.26 3.82 1.01 -1.26 -0.79 120.40 125.15 1i2a s VAL 79 Ca 0.58 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1i2a s VAL 79 Cb -0.38 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.27 1i2a s VAL 79 CO 0.39 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 175.35 1i2a s ILE 80 N 0.04 2.00 0.71 2.22 1.01 0.06 -4.96 121.20 122.27 1i2a s ILE 80 Ca -0.10 -1.59 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1i2a s ILE 80 Cb -0.15 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1i2a s ILE 80 CO 0.06 -0.11 1.07 -0.13 0.00 0.00 0.00 174.94 175.83 1i2a s ARG 81 N 1.17 2.83 0.25 2.79 0.52 -1.26 -1.63 118.95 123.61 1i2a s ARG 81 Ca -0.06 0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 55.85 1i2a s ARG 81 Cb -0.20 -1.99 0.48 0.00 0.52 0.00 0.00 34.95 33.76 1i2a s ARG 81 CO -0.06 -1.12 1.71 -0.22 0.02 0.00 0.00 175.30 175.62 1i2a h LYS 82 N -0.73 0.35 0.00 3.54 3.64 -1.95 0.18 116.57 121.59 1i2a h LYS 82 Ca -0.45 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1i2a h LYS 82 Cb 1.23 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1i2a h LYS 82 CO 0.60 0.23 -0.09 0.93 -2.27 0.00 0.00 179.45 178.85 1i2a h GLU 83 N 0.36 0.00 0.00 1.90 3.07 -1.94 -2.34 114.58 115.64 1i2a h GLU 83 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1i2a h GLU 83 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1i2a h GLU 83 CO -0.46 0.09 0.00 0.93 -1.40 0.00 0.00 179.01 178.17 1i2a h GLU 84 N 0.00 0.00 -0.12 2.33 5.08 -1.31 -3.35 114.58 117.21 1i2a h GLU 84 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1i2a h GLU 84 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1i2a h GLU 84 CO 0.01 0.00 -0.13 0.82 -1.00 0.00 0.00 179.01 178.71 1i2a h ILE 85 N 0.00 0.65 -0.07 3.13 2.04 -1.35 0.12 117.51 122.02 1i2a h ILE 85 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1i2a h ILE 85 Cb 0.82 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1i2a h ILE 85 CO 0.00 0.00 -0.60 -0.33 0.00 0.00 0.00 178.15 177.22 1i2a h GLU 86 N -0.16 0.23 -0.87 2.37 5.08 -1.77 -2.16 114.58 117.30 1i2a h GLU 86 Ca 0.09 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1i2a h GLU 86 Cb 0.28 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1i2a h GLU 86 CO -0.22 0.76 0.46 0.93 -1.00 0.00 0.00 179.01 179.95 1i2a h GLU 87 N 0.17 1.22 -0.19 2.33 5.08 -1.55 -1.76 114.58 119.89 1i2a h GLU 87 Ca -0.01 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1i2a h GLU 87 Cb 1.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1i2a h GLU 87 CO 0.09 0.91 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.55 1i2a h LEU 88 N 1.22 0.45 -1.64 1.33 3.38 -0.64 -2.32 115.31 117.10 1i2a h LEU 88 Ca 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1i2a h LEU 88 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1i2a h LEU 88 CO -0.05 0.80 -0.03 1.23 0.09 0.00 0.00 178.44 180.48 1i2a h GLY 89 N 1.12 0.20 1.52 0.83 0.00 -0.68 -2.03 103.07 104.03 1i2a h GLY 89 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1i2a h GLY 89 CO 0.07 0.09 -0.45 0.50 0.00 0.00 0.00 176.54 176.75 1i2a h LYS 90 N 0.18 0.00 -2.41 4.80 1.57 -0.99 -3.37 116.57 116.35 1i2a h LYS 90 Ca 0.04 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.18 1i2a h LYS 90 Cb 0.19 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.11 1i2a h LYS 90 CO 0.01 0.00 -0.31 -1.71 -0.57 0.00 0.00 179.45 176.86 1i2a n ASN 91 N -2.73 4.26 0.11 0.86 2.85 -0.76 -4.88 115.26 114.96 1i2a n ASN 91 Ca 0.03 -3.42 0.09 0.00 -0.11 0.00 0.00 54.58 51.17 1i2a n ASN 91 Cb 0.52 -0.80 0.57 0.00 1.24 0.00 0.00 39.78 41.31 1i2a n ASN 91 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1i2a h LYS 92 N 4.53 0.19 -0.18 1.20 1.79 -1.73 -0.24 116.57 122.13 1i2a h LYS 92 Ca 0.20 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1i2a h LYS 92 Cb 0.66 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1i2a h LYS 92 CO 0.93 0.13 0.10 -0.09 -1.08 0.00 0.00 179.45 179.44 1i2a h ARG 93 N 0.20 0.21 -0.46 3.15 2.43 -1.90 0.16 114.38 118.17 1i2a h ARG 93 Ca 0.11 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1i2a h ARG 93 Cb 0.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1i2a h ARG 93 CO -0.02 0.14 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.13 1i2a h LYS 94 N 0.21 0.96 -0.73 0.20 3.64 -1.65 -2.28 116.57 116.92 1i2a h LYS 94 Ca 0.07 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1i2a h LYS 94 Cb -0.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1i2a h LYS 94 CO -0.03 1.08 0.38 1.25 -2.27 0.00 0.00 179.45 179.86 1i2a h LEU 95 N 0.80 0.91 -0.68 5.20 5.85 -0.79 0.52 115.31 127.13 1i2a h LEU 95 Ca 0.10 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1i2a h LEU 95 Cb 0.80 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1i2a h LEU 95 CO 0.07 0.75 -0.20 0.03 -0.34 0.00 0.00 178.44 178.75 1i2a h ARG 96 N 1.02 0.82 -0.61 1.25 3.08 -0.55 0.66 114.38 120.05 1i2a h ARG 96 Ca 0.26 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1i2a h ARG 96 Cb 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1i2a h ARG 96 CO -0.04 0.95 0.36 -0.22 -1.07 0.00 0.00 179.97 179.95 1i2a h LYS 97 N 0.72 0.84 -0.39 0.04 3.64 -0.69 0.62 116.57 121.35 1i2a h LYS 97 Ca 0.10 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1i2a h LYS 97 Cb 0.72 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1i2a h LYS 97 CO 0.06 0.61 -0.26 0.82 -2.27 0.00 0.00 179.45 178.40 1i2a h ILE 98 N 0.83 1.27 -0.32 2.00 2.04 -0.69 -1.04 117.51 121.61 1i2a h ILE 98 Ca 0.22 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1i2a h ILE 98 Cb -0.00 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1i2a h ILE 98 CO -0.04 0.47 0.09 0.00 0.00 0.00 0.00 178.15 178.66 1i2a h ALA 99 N 1.00 0.42 -0.17 1.87 0.00 -0.37 -2.74 119.26 119.27 1i2a h ALA 99 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1i2a h ALA 99 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1i2a h ALA 99 CO 0.07 0.08 -0.33 -0.22 0.00 0.00 0.00 179.25 178.85 1i2a h LYS 100 N 0.36 0.35 0.00 0.00 3.64 -0.79 -3.01 116.57 117.12 1i2a h LYS 100 Ca 0.10 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1i2a h LYS 100 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1i2a h LYS 100 CO -0.00 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 1i2a n ALA 101 N -2.48 2.38 -2.68 5.00 0.00 -0.40 -4.81 120.51 117.52 1i2a n ALA 101 Ca -0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1i2a n ALA 101 Cb 0.43 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1i2a n ALA 101 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1i2a s HIS 102 N -2.54 1.05 -0.05 0.00 3.76 -1.05 -4.81 115.29 111.64 1i2a s HIS 102 Ca 0.27 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1i2a s HIS 102 Cb 0.19 -0.63 -0.25 0.00 1.11 0.00 0.00 32.58 32.99 1i2a s HIS 102 CO 0.41 0.01 0.65 -0.44 -0.85 0.00 0.00 174.74 174.52 1i2a h ASP 103 N 5.18 0.18 -4.98 1.40 3.32 -1.05 -3.46 116.42 117.01 1i2a h ASP 103 Ca -0.36 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 56.17 1i2a h ASP 103 Cb 1.18 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 1i2a h ASP 103 CO 0.45 1.31 -0.70 -0.36 -1.72 0.00 0.00 179.24 178.22 1i2a s PHE 104 N -2.60 0.27 0.02 4.55 0.08 -0.94 -4.94 117.98 114.42 1i2a s PHE 104 Ca -0.10 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.49 1i2a s PHE 104 Cb 0.07 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 1i2a s PHE 104 CO 0.81 -0.19 -0.21 -0.06 -0.10 0.00 0.00 175.22 175.47 1i2a s PHE 105 N -1.48 1.86 0.03 0.36 0.40 -1.26 -1.16 117.98 116.73 1i2a s PHE 105 Ca -0.16 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1i2a s PHE 105 Cb -0.10 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1i2a s PHE 105 CO -0.01 0.04 -0.24 0.42 0.70 0.00 0.00 175.22 176.13 1i2a s ILE 106 N -0.67 1.95 -0.05 0.64 1.01 0.15 -0.99 121.20 123.23 1i2a s ILE 106 Ca 0.08 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 1i2a s ILE 106 Cb -0.09 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1i2a s ILE 106 CO 0.01 0.36 0.24 0.00 0.00 0.00 0.00 174.94 175.55 1i2a s ALA 107 N -0.74 -0.60 0.11 9.38 0.00 -0.68 -0.22 121.76 129.01 1i2a s ALA 107 Ca 0.10 0.43 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 1i2a s ALA 107 Cb -0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 23.12 22.73 1i2a s ALA 107 CO 0.01 -0.17 1.81 0.94 0.00 0.00 0.00 175.76 178.35 1i2a n GLN 108 N 2.21 2.65 -0.23 0.00 7.27 -0.55 -1.45 117.38 127.28 1i2a n GLN 108 Ca -0.17 0.97 0.03 0.00 0.07 0.00 0.00 57.00 57.90 1i2a n GLN 108 Cb 0.57 -2.84 0.14 0.00 2.41 0.00 0.00 30.24 30.52 1i2a n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1i2a h ALA 109 N 8.26 0.74 0.00 1.69 0.00 -1.35 -0.34 119.26 128.27 1i2a h ALA 109 Ca -0.46 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1i2a h ALA 109 Cb 1.23 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1i2a h ALA 109 CO 0.94 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 1i2a n ASP 110 N -5.27 0.00 -0.30 0.00 5.75 -1.26 -1.90 116.55 113.57 1i2a n ASP 110 Ca 0.11 -0.05 0.09 0.00 -0.01 0.00 0.00 54.79 54.93 1i2a n ASP 110 Cb 0.41 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1i2a n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i2a n LEU 111 N -1.17 1.50 -0.32 -2.12 4.77 -0.14 -4.58 117.00 114.95 1i2a n LEU 111 Ca 0.06 -0.70 0.09 0.00 -0.03 0.00 0.00 56.01 55.43 1i2a n LEU 111 Cb 0.07 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 1i2a n LEU 111 CO 0.07 0.30 1.23 0.24 -1.33 0.00 0.00 177.39 177.90 1i2a h MET 112 N 1.48 0.85 -0.31 3.23 2.86 -1.41 -0.15 114.93 121.49 1i2a h MET 112 Ca 0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1i2a h MET 112 Cb 0.56 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1i2a h MET 112 CO 0.00 0.56 0.11 -1.35 1.06 0.00 0.00 176.91 177.30 1i2a h PRO 113 N 0.88 0.46 -0.48 -0.22 0.11 -1.81 -0.20 132.00 130.74 1i2a h PRO 113 Ca 0.47 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 1i2a h PRO 113 Cb 0.56 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1i2a h PRO 113 CO -0.24 0.49 0.25 1.25 -0.21 0.00 0.00 178.00 179.54 1i2a h LEU 114 N 0.34 0.62 -0.33 2.35 5.85 -1.67 -1.22 115.31 121.25 1i2a h LEU 114 Ca 0.10 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1i2a h LEU 114 Cb 0.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1i2a h LEU 114 CO -0.01 0.54 0.19 0.40 -0.34 0.00 0.00 178.44 179.23 1i2a h ILE 115 N 0.64 1.12 -0.75 4.05 2.04 -0.89 -1.58 117.51 122.14 1i2a h ILE 115 Ca 0.17 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1i2a h ILE 115 Cb 0.07 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1i2a h ILE 115 CO -0.03 0.12 0.36 1.23 0.00 0.00 0.00 178.15 179.84 1i2a h GLY 116 N 0.42 1.14 1.18 5.37 0.00 -0.83 0.43 103.07 110.78 1i2a h GLY 116 Ca 0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1i2a h GLY 116 CO -0.02 0.52 -0.07 -0.09 0.00 0.00 0.00 176.54 176.88 1i2a h ARG 117 N 1.06 0.97 0.00 4.80 2.43 -0.85 -2.77 114.38 120.01 1i2a h ARG 117 Ca 0.26 -0.33 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 1i2a h ARG 117 Cb 0.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1i2a h ARG 117 CO -0.03 1.00 -1.93 0.66 -1.51 0.00 0.00 179.97 178.15 1i2a n TYR 118 N -4.16 0.00 0.02 2.20 4.01 -0.63 -4.73 117.16 113.87 1i2a n TYR 118 Ca 0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.81 1i2a n TYR 118 Cb 0.37 -0.65 -0.08 0.00 -0.31 0.00 0.00 39.34 38.67 1i2a n TYR 118 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1i2a n MET 119 N -2.45 0.46 -0.07 -0.72 2.81 0.14 -4.25 117.12 113.03 1i2a n MET 119 Ca -0.20 -0.09 0.15 0.00 -1.81 0.00 0.00 57.70 55.75 1i2a n MET 119 Cb 0.88 -1.23 0.56 0.00 -0.71 0.00 0.00 33.22 32.72 1i2a n MET 119 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1i2a h GLY 120 N 1.88 0.44 2.00 3.03 0.00 -0.90 -0.45 103.07 109.06 1i2a h GLY 120 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1i2a h GLY 120 CO 0.00 0.06 -0.01 -0.24 0.00 0.00 0.00 176.54 176.35 1i2a h VAL 121 N 0.29 0.15 0.00 4.60 3.04 -1.83 0.12 116.25 122.62 1i2a h VAL 121 Ca 0.29 -0.08 -0.38 0.00 -1.01 0.00 0.00 66.70 65.52 1i2a h VAL 121 Cb 0.73 1.06 -0.06 0.00 -2.01 0.00 0.00 31.29 31.02 1i2a h VAL 121 CO -0.07 0.01 -2.30 -0.38 -1.01 0.00 0.00 177.57 173.82 1i2a n ILE 122 N -3.29 1.28 -0.08 3.17 2.08 -0.29 -4.58 119.36 117.65 1i2a n ILE 122 Ca -0.03 -0.36 -0.14 0.00 0.56 0.00 0.00 62.75 62.78 1i2a n ILE 122 Cb 0.10 -1.69 -0.05 0.00 -0.75 0.00 0.00 39.64 37.25 1i2a n ILE 122 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i2a h LEU 123 N -0.65 0.83 0.28 1.39 3.38 -1.18 -3.30 115.31 116.05 1i2a h LEU 123 Ca -0.57 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 56.89 1i2a h LEU 123 Cb 1.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1i2a h LEU 123 CO -0.30 1.18 -0.44 1.23 0.09 0.00 0.00 178.44 180.21 1i2a h GLY 124 N 0.50 -0.98 1.97 0.83 0.00 -0.99 0.11 103.07 104.52 1i2a h GLY 124 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1i2a h GLY 124 CO 0.09 -0.30 0.01 -2.55 0.00 0.00 0.00 176.54 173.79 1i2a h PRO 125 N -0.78 0.00 -0.40 4.80 0.11 -1.74 -0.72 132.00 133.27 1i2a h PRO 125 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1i2a h PRO 125 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1i2a h PRO 125 CO -0.16 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.17 1i2a n ARG 126 N -3.09 2.36 -1.68 1.05 1.74 -0.79 -4.93 116.66 111.31 1i2a n ARG 126 Ca -0.03 -2.07 -0.15 0.00 -0.77 0.00 0.00 57.85 54.83 1i2a n ARG 126 Cb 0.08 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 1i2a n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2a n GLY 127 N 1.44 1.05 1.11 -0.13 0.00 -0.28 -4.91 105.19 103.48 1i2a n GLY 127 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1i2a n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i2a n LYS 128 N -2.53 2.38 -1.95 1.61 5.02 0.31 -5.01 118.16 117.99 1i2a n LYS 128 Ca -0.16 -3.02 -0.38 0.00 -2.02 0.00 0.00 58.31 52.74 1i2a n LYS 128 Cb 0.54 -1.86 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1i2a n LYS 128 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1i2a s MET 129 N -3.06 3.26 0.61 1.97 -1.94 -1.23 -4.55 119.30 114.36 1i2a s MET 129 Ca 0.44 2.03 -0.18 0.00 -1.71 0.00 0.00 55.69 56.28 1i2a s MET 129 Cb 0.38 -2.23 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 1i2a s MET 129 CO 0.05 -1.03 1.17 -2.14 -0.01 0.00 0.00 175.02 173.06 1i2a s PRO 130 N -2.94 2.91 -0.23 2.03 0.02 -1.26 -4.68 135.00 130.85 1i2a s PRO 130 Ca 0.71 1.69 -0.21 0.00 0.02 0.00 0.00 61.00 63.21 1i2a s PRO 130 Cb -0.35 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1i2a s PRO 130 CO 0.41 -1.22 0.64 0.21 -0.33 0.00 0.00 177.00 176.70 1i2a s LYS 131 N -3.54 4.15 0.44 5.54 2.20 -0.16 -4.81 119.74 123.56 1i2a s LYS 131 Ca 0.74 0.59 -0.22 0.00 -0.36 0.00 0.00 55.97 56.72 1i2a s LYS 131 Cb -0.27 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.34 1i2a s LYS 131 CO 0.35 -0.35 1.03 -1.25 -0.36 0.00 0.00 175.35 174.77 1i2a s PRO 132 N 2.28 4.02 -0.02 4.03 0.04 -1.26 -1.69 135.00 142.40 1i2a s PRO 132 Ca 0.27 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1i2a s PRO 132 Cb -0.16 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1i2a s PRO 132 CO 0.09 -0.25 0.13 0.14 0.04 0.00 0.00 177.00 177.15 1i2a s VAL 133 N -1.86 0.06 0.56 -0.36 -7.23 -0.53 -4.89 120.40 106.15 1i2a s VAL 133 Ca 0.62 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 60.12 1i2a s VAL 133 Cb -0.18 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 1i2a s VAL 133 CO 0.22 -0.26 1.10 -2.65 -0.31 0.00 0.00 175.10 173.20 1i2a n PRO 134 N 1.98 1.20 0.33 4.82 -0.02 -1.26 -0.94 135.00 141.10 1i2a n PRO 134 Ca -0.19 0.45 0.22 0.00 -2.02 0.00 0.00 63.50 61.96 1i2a n PRO 134 Cb 0.57 -2.29 1.17 0.00 -0.02 0.00 0.00 33.50 32.93 1i2a n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i2a h ALA 135 N 0.90 1.00 -0.57 3.55 0.00 -1.94 -0.66 119.26 121.54 1i2a h ALA 135 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i2a h ALA 135 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i2a h ALA 135 CO 0.54 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.06 1i2a n ASN 136 N -3.02 3.61 -4.77 0.00 6.94 -1.26 -4.44 115.26 112.31 1i2a n ASN 136 Ca -0.03 -1.98 -0.36 0.00 -0.02 0.00 0.00 54.58 52.19 1i2a n ASN 136 Cb 0.07 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1i2a n ASN 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i2a s ALA 137 N -1.10 2.80 -0.43 -2.53 0.00 -0.26 -4.99 121.76 115.26 1i2a s ALA 137 Ca 0.41 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 1i2a s ALA 137 Cb 0.22 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1i2a s ALA 137 CO 0.29 -0.80 0.57 1.21 0.00 0.00 0.00 175.76 177.03 1i2a s ASN 138 N -1.53 6.28 0.00 0.00 2.47 -1.26 -4.88 114.94 116.01 1i2a s ASN 138 Ca 0.69 -0.43 0.26 0.00 0.42 0.00 0.00 52.86 53.81 1i2a s ASN 138 Cb -0.27 -2.28 0.75 0.00 -1.45 0.00 0.00 41.25 37.99 1i2a s ASN 138 CO 0.32 -0.69 1.56 2.30 -3.72 0.00 0.00 177.10 176.87 1i2a n ILE 139 N 5.69 0.00 -0.09 -5.21 -5.35 -1.26 -4.41 119.36 108.73 1i2a n ILE 139 Ca -0.04 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.21 1i2a n ILE 139 Cb 0.48 0.51 0.01 0.00 -1.74 0.00 0.00 39.64 38.90 1i2a n ILE 139 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1i2a h LYS 140 N 1.63 0.09 -0.52 6.28 3.64 -1.96 0.53 116.57 126.25 1i2a h LYS 140 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1i2a h LYS 140 Cb 0.54 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1i2a h LYS 140 CO 0.00 0.06 0.28 -1.35 -2.27 0.00 0.00 179.45 176.17 1i2a h PRO 141 N 0.09 0.54 -0.67 1.90 0.11 -2.00 0.40 132.00 132.36 1i2a h PRO 141 Ca 0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1i2a h PRO 141 Cb 0.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1i2a h PRO 141 CO -0.27 0.36 0.39 1.25 -0.21 0.00 0.00 178.00 179.52 1i2a h LEU 142 N 0.56 0.82 -0.65 2.35 5.85 -1.70 -2.01 115.31 120.53 1i2a h LEU 142 Ca 0.22 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1i2a h LEU 142 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1i2a h LEU 142 CO -0.14 0.66 0.20 0.58 -0.34 0.00 0.00 178.44 179.40 1i2a h VAL 143 N 0.91 1.25 -0.22 1.05 2.07 -0.43 0.02 116.25 120.90 1i2a h VAL 143 Ca 0.24 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1i2a h VAL 143 Cb 0.00 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1i2a h VAL 143 CO -0.04 0.33 0.07 -0.33 0.02 0.00 0.00 177.57 177.61 1i2a h GLU 144 N 0.93 0.16 -0.30 1.57 4.39 -0.60 -1.26 114.58 119.48 1i2a h GLU 144 Ca 0.21 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1i2a h GLU 144 Cb 0.29 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1i2a h GLU 144 CO -0.01 0.11 0.11 0.00 -1.16 0.00 0.00 179.01 178.06 1i2a h ARG 145 N 0.17 0.45 -0.49 2.33 3.08 -1.11 -3.06 114.38 115.75 1i2a h ARG 145 Ca 0.10 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1i2a h ARG 145 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1i2a h ARG 145 CO -0.11 0.48 0.27 -0.07 -1.07 0.00 0.00 179.97 179.47 1i2a h LEU 146 N 0.33 0.59 -2.51 3.04 3.38 -0.75 -1.61 115.31 117.77 1i2a h LEU 146 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i2a h LEU 146 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1i2a h LEU 146 CO -0.01 0.48 0.04 0.11 0.09 0.00 0.00 178.44 179.15 1i2a h LYS 147 N 0.68 0.00 -0.30 1.13 1.57 -1.12 -1.25 116.57 117.27 1i2a h LYS 147 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1i2a h LYS 147 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1i2a h LYS 147 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 1i2a n LYS 148 N -3.70 2.88 -3.45 3.15 5.02 -0.66 -1.04 118.16 120.35 1i2a n LYS 148 Ca -0.02 -2.20 -0.38 0.00 -2.02 0.00 0.00 58.31 53.69 1i2a n LYS 148 Cb 0.12 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1i2a n LYS 148 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i2a s THR 149 N -1.43 4.96 0.17 -0.18 2.01 -0.47 -0.44 115.64 120.26 1i2a s THR 149 Ca 0.26 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.20 1i2a s THR 149 Cb 0.16 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1i2a s THR 149 CO 0.13 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.16 1i2a s VAL 150 N -1.14 1.31 -0.12 3.82 -7.23 -0.43 -4.90 120.40 111.71 1i2a s VAL 150 Ca 0.27 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1i2a s VAL 150 Cb -0.17 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1i2a s VAL 150 CO 0.15 -0.68 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.40 1i2a s VAL 151 N -3.24 2.69 -0.24 1.32 1.01 -1.26 -0.42 120.40 120.26 1i2a s VAL 151 Ca 0.19 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1i2a s VAL 151 Cb 0.02 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1i2a s VAL 151 CO 0.03 0.53 0.50 -0.63 0.00 0.00 0.00 175.10 175.53 1i2a s ILE 152 N 0.39 5.10 -0.18 2.22 1.01 -0.17 -4.88 121.20 124.70 1i2a s ILE 152 Ca -0.13 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 1i2a s ILE 152 Cb -0.17 -3.82 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1i2a s ILE 152 CO 0.06 0.13 0.07 0.21 0.00 0.00 0.00 174.94 175.41 1i2a s ASN 153 N 1.41 2.52 0.18 3.58 3.84 -1.25 -1.58 114.94 123.64 1i2a s ASN 153 Ca 0.21 -0.67 0.23 0.00 0.21 0.00 0.00 52.86 52.85 1i2a s ASN 153 Cb -0.15 -0.37 0.20 0.00 -0.55 0.00 0.00 41.25 40.38 1i2a s ASN 153 CO 0.09 -0.33 1.23 0.71 -2.79 0.00 0.00 177.10 176.01 1i2a h THR 154 N 6.45 0.00 0.00 -5.21 1.35 -1.26 -3.44 112.91 110.81 1i2a h THR 154 Ca -0.15 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1i2a h THR 154 Cb 1.14 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1i2a h THR 154 CO 0.30 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.11 1i2a n ARG 155 N -2.42 0.00 -1.09 4.72 1.74 -1.26 -1.94 116.66 116.41 1i2a n ARG 155 Ca 0.02 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.93 1i2a n ARG 155 Cb 0.49 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 32.12 1i2a n ARG 155 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1i2a n ASP 156 N 0.95 3.36 -4.39 0.55 5.75 -1.26 -4.59 116.55 116.91 1i2a n ASP 156 Ca 0.00 -3.66 -0.30 0.00 -0.01 0.00 0.00 54.79 50.82 1i2a n ASP 156 Cb 0.00 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 39.18 1i2a n ASP 156 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1i2a s LYS 157 N -3.28 1.94 -0.66 0.11 1.02 -0.82 -4.80 119.74 113.25 1i2a s LYS 157 Ca 0.53 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 1i2a s LYS 157 Cb 0.46 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1i2a s LYS 157 CO 0.07 0.53 2.69 -0.35 -0.92 0.00 0.00 175.35 177.37 1i2a n PRO 158 N 1.71 2.23 -3.61 -1.68 -0.04 -1.26 -4.78 135.00 127.56 1i2a n PRO 158 Ca -0.17 -1.31 -0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1i2a n PRO 158 Cb 0.52 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1i2a n PRO 158 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1i2a s TYR 159 N 2.19 -0.03 0.06 0.54 -0.85 -1.26 -0.83 117.35 117.16 1i2a s TYR 159 Ca 0.53 0.01 -0.17 0.00 -0.52 0.00 0.00 57.07 56.91 1i2a s TYR 159 Cb 0.19 0.51 0.03 0.00 0.38 0.00 0.00 41.96 43.07 1i2a s TYR 159 CO -0.02 -0.08 0.40 -0.59 -1.52 0.00 0.00 175.55 173.73 1i2a s PHE 160 N -2.15 -0.24 -0.04 -3.49 -0.12 -0.67 -4.45 117.98 106.82 1i2a s PHE 160 Ca 0.13 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 1i2a s PHE 160 Cb 0.03 0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1i2a s PHE 160 CO -0.04 -0.59 -0.07 -1.14 -0.05 0.00 0.00 175.22 173.33 1i2a s GLN 161 N -2.71 1.07 -0.01 1.99 0.74 -1.26 -1.71 119.66 117.77 1i2a s GLN 161 Ca -0.04 -0.22 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 1i2a s GLN 161 Cb -0.00 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 33.13 1i2a s GLN 161 CO -0.04 -0.01 0.13 0.54 -0.55 0.00 0.00 175.29 175.36 1i2a s VAL 162 N 0.68 0.06 0.20 1.34 0.11 -0.29 -4.81 120.40 117.70 1i2a s VAL 162 Ca -0.11 -0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 1i2a s VAL 162 Cb -0.14 -0.35 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 1i2a s VAL 162 CO 0.01 -0.27 1.39 -0.22 -3.33 0.00 0.00 175.10 172.68 1i2a s LEU 163 N -0.93 4.39 0.00 2.54 2.96 -1.26 -0.15 118.68 126.23 1i2a s LEU 163 Ca -0.10 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1i2a s LEU 163 Cb -0.06 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1i2a s LEU 163 CO 0.01 -0.63 0.77 1.33 -1.32 0.00 0.00 176.35 176.51 1i2a n VAL 164 N 2.84 0.55 -0.10 1.68 0.24 -0.31 -4.88 118.33 118.34 1i2a n VAL 164 Ca 0.08 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1i2a n VAL 164 Cb 0.41 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1i2a n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i2a n GLY 165 N -0.27 0.94 3.27 7.63 0.00 -1.24 -4.70 105.19 110.82 1i2a n GLY 165 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1i2a n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i2a s ASN 166 N -4.00 0.44 0.00 1.61 2.20 -1.25 -0.58 114.94 113.36 1i2a s ASN 166 Ca 0.00 -1.42 0.07 0.00 -0.94 0.00 0.00 52.86 50.57 1i2a s ASN 166 Cb 0.00 0.45 0.30 0.00 -2.00 0.00 0.00 41.25 40.00 1i2a s ASN 166 CO 0.00 -0.93 1.15 -1.84 -2.94 0.00 0.00 177.10 172.54 1i2a n GLU 167 N -0.36 0.04 0.09 3.55 0.28 -0.58 -1.59 120.64 122.07 1i2a n GLU 167 Ca 0.03 0.32 0.13 0.00 -0.16 0.00 0.00 57.16 57.47 1i2a n GLU 167 Cb 0.65 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 32.37 1i2a n GLU 167 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1i2a n LYS 168 N -1.41 0.25 -2.79 3.44 4.76 -1.26 -4.82 118.16 116.33 1i2a n LYS 168 Ca 0.02 0.16 -0.24 0.00 -2.87 0.00 0.00 58.31 55.39 1i2a n LYS 168 Cb 0.07 -1.75 0.02 0.00 -1.84 0.00 0.00 35.03 31.52 1i2a n LYS 168 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1i2a s MET 169 N -3.11 2.99 0.53 1.97 -1.94 -0.62 -5.08 119.30 114.05 1i2a s MET 169 Ca 0.10 -0.36 -0.09 0.00 -1.71 0.00 0.00 55.69 53.63 1i2a s MET 169 Cb 0.13 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 1i2a s MET 169 CO 0.63 -0.42 0.90 0.95 -0.01 0.00 0.00 175.02 177.07 1i2a s THR 170 N -2.70 4.79 0.37 2.05 -4.23 -1.26 -4.94 115.64 109.72 1i2a s THR 170 Ca 0.50 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.66 1i2a s THR 170 Cb -0.10 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.12 1i2a s THR 170 CO 0.40 -0.93 1.98 0.44 -0.54 0.00 0.00 174.62 175.97 1i2a h ASP 171 N 0.15 0.53 -0.77 3.99 5.19 -1.96 -1.72 116.42 121.82 1i2a h ASP 171 Ca -0.46 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1i2a h ASP 171 Cb 1.20 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.53 1i2a h ASP 171 CO 0.62 0.46 0.45 -0.33 -3.12 0.00 0.00 179.24 177.32 1i2a h GLU 172 N 0.59 1.05 -0.40 3.56 4.39 -1.97 -0.97 114.58 120.83 1i2a h GLU 172 Ca 0.15 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 1i2a h GLU 172 Cb 0.09 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1i2a h GLU 172 CO -0.02 0.76 -0.28 1.96 -1.16 0.00 0.00 179.01 180.27 1i2a h GLN 173 N 1.06 0.90 -0.63 2.33 4.20 -1.74 -1.42 115.11 119.81 1i2a h GLN 173 Ca 0.27 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1i2a h GLN 173 Cb -0.02 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1i2a h GLN 173 CO -0.05 1.08 0.32 0.82 -0.67 0.00 0.00 178.83 180.34 1i2a h ILE 174 N 0.72 1.21 -0.55 2.54 1.08 -1.07 -0.15 117.51 121.30 1i2a h ILE 174 Ca 0.08 -0.57 -0.11 0.00 -0.39 0.00 0.00 64.86 63.88 1i2a h ILE 174 Cb 0.86 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1i2a h ILE 174 CO 0.08 0.24 -0.08 0.58 -0.69 0.00 0.00 178.15 178.27 1i2a h VAL 175 N 0.87 1.27 -0.70 1.67 2.07 -1.07 0.85 116.25 121.20 1i2a h VAL 175 Ca 0.22 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1i2a h VAL 175 Cb 0.08 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1i2a h VAL 175 CO -0.03 0.44 0.46 0.44 0.02 0.00 0.00 177.57 178.89 1i2a h ASP 176 N 0.91 0.78 -0.28 0.57 3.32 -0.86 0.12 116.42 120.98 1i2a h ASP 176 Ca 0.15 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1i2a h ASP 176 Cb 0.64 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1i2a h ASP 176 CO 0.04 0.56 0.11 0.78 -1.72 0.00 0.00 179.24 179.02 1i2a h ASN 177 N 0.93 0.38 -0.83 6.45 2.35 -0.59 -2.03 115.58 122.23 1i2a h ASN 177 Ca 0.26 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1i2a h ASN 177 Cb -0.08 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 1i2a h ASN 177 CO -0.07 0.44 0.55 0.40 -1.65 0.00 0.00 177.43 177.10 1i2a h ILE 178 N 0.30 1.13 -0.45 2.81 2.04 -0.35 -1.14 117.51 121.86 1i2a h ILE 178 Ca 0.09 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1i2a h ILE 178 Cb 0.17 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1i2a h ILE 178 CO -0.01 0.19 0.04 -0.33 0.00 0.00 0.00 178.15 178.04 1i2a h GLU 179 N 1.03 0.71 -0.66 2.37 5.08 -0.34 0.26 114.58 123.02 1i2a h GLU 179 Ca 0.33 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1i2a h GLU 179 Cb 0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1i2a h GLU 179 CO -0.10 0.69 0.11 0.00 -1.00 0.00 0.00 179.01 178.72 1i2a h ALA 180 N 1.37 0.95 -0.33 3.43 0.00 -0.53 -0.74 119.26 123.41 1i2a h ALA 180 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1i2a h ALA 180 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i2a h ALA 180 CO 0.01 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.26 1i2a h VAL 181 N 1.02 1.23 -0.24 0.00 2.07 -0.73 -2.92 116.25 116.68 1i2a h VAL 181 Ca 0.20 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1i2a h VAL 181 Cb 0.43 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1i2a h VAL 181 CO 0.01 0.26 -0.05 -0.07 0.02 0.00 0.00 177.57 177.75 1i2a h LEU 182 N 0.38 0.33 -2.20 2.57 3.38 -0.66 -2.27 115.31 116.85 1i2a h LEU 182 Ca 0.10 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i2a h LEU 182 Cb 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1i2a h LEU 182 CO 0.00 0.43 0.03 -1.13 0.09 0.00 0.00 178.44 177.87 1i2a h ASN 183 N 0.35 0.00 -0.07 -0.43 -1.24 -0.94 -0.04 115.58 113.21 1i2a h ASN 183 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1i2a h ASN 183 Cb 0.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1i2a h ASN 183 CO 0.01 0.00 0.01 0.58 -1.29 0.00 0.00 177.43 176.74 1i2a h VAL 184 N 0.00 1.23 -0.62 2.57 2.07 -1.43 -1.25 116.25 118.83 1i2a h VAL 184 Ca 0.02 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1i2a h VAL 184 Cb 0.07 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1i2a h VAL 184 CO -0.00 0.20 0.15 0.58 0.02 0.00 0.00 177.57 178.52 1i2a h VAL 185 N -0.15 1.24 -0.73 2.57 2.07 -1.39 -0.78 116.25 119.09 1i2a h VAL 185 Ca 0.02 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.70 1i2a h VAL 185 Cb 0.31 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1i2a h VAL 185 CO 0.00 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.38 1i2a h ALA 186 N 1.24 0.97 0.00 1.67 0.00 -0.79 -2.76 119.26 119.60 1i2a h ALA 186 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1i2a h ALA 186 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1i2a h ALA 186 CO -0.00 0.22 -0.38 0.87 0.00 0.00 0.00 179.25 179.96 1i2a h LYS 187 N 0.87 0.00 0.08 0.00 1.57 -0.90 -3.38 116.57 114.80 1i2a h LYS 187 Ca 0.30 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.91 1i2a h LYS 187 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.39 1i2a h LYS 187 CO -0.13 0.00 -0.73 -0.22 -0.57 0.00 0.00 179.45 177.80 1i2a h LYS 188 N 0.00 0.36 -6.00 3.15 3.64 -0.86 -3.46 116.57 113.40 1i2a h LYS 188 Ca 0.00 -0.49 -0.63 0.00 -1.27 0.00 0.00 60.65 58.26 1i2a h LYS 188 Cb 0.97 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1i2a h LYS 188 CO 0.00 1.18 -0.54 0.71 -2.27 0.00 0.00 179.45 178.53 1i2a s TYR 189 N -2.82 3.38 0.23 1.91 2.02 -1.13 -5.01 117.35 115.94 1i2a s TYR 189 Ca -0.13 0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1i2a s TYR 189 Cb 0.02 -1.72 0.34 0.00 -0.40 0.00 0.00 41.96 40.20 1i2a s TYR 189 CO 0.83 0.57 1.80 1.49 -1.57 0.00 0.00 175.55 178.67 1i2a h GLU 190 N 3.36 0.68 -0.06 -0.62 4.81 -1.89 -0.91 114.58 119.95 1i2a h GLU 190 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1i2a h GLU 190 Cb 1.17 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1i2a h GLU 190 CO 0.70 0.45 0.00 1.63 -0.73 0.00 0.00 179.01 181.06 1i2a n LYS 191 N -4.80 1.79 0.00 1.92 5.02 -1.26 -5.01 118.16 115.82 1i2a n LYS 191 Ca 0.11 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 1i2a n LYS 191 Cb 0.25 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1i2a n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i2a n GLY 192 N 1.20 3.31 0.00 0.72 0.00 -0.35 -1.95 105.19 108.12 1i2a n GLY 192 Ca 0.18 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1i2a n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i2a n LEU 193 N 0.00 0.00 0.22 0.99 4.77 -1.26 -1.72 117.00 120.00 1i2a n LEU 193 Ca 0.00 0.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1i2a n LEU 193 Cb 0.00 -0.09 0.50 0.00 -2.33 0.00 0.00 43.42 41.50 1i2a n LEU 193 CO 0.00 -0.06 0.88 0.22 -1.33 0.00 0.00 177.39 177.10 1i2a h TYR 194 N 0.00 0.00 0.00 -1.77 3.20 -1.79 -2.26 116.97 114.35 1i2a h TYR 194 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1i2a h TYR 194 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1i2a h TYR 194 CO 0.00 0.21 0.00 0.72 -1.64 0.00 0.00 178.16 177.45 1i2a n HIS 195 N -4.20 0.00 -2.53 -3.82 8.25 -0.70 -4.70 115.22 107.51 1i2a n HIS 195 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1i2a n HIS 195 Cb 0.27 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 1i2a n HIS 195 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i2a s ILE 196 N -2.50 4.31 -0.08 1.59 -1.09 -0.85 0.38 121.20 122.96 1i2a s ILE 196 Ca 0.26 1.49 -0.04 0.00 -2.23 0.00 0.00 60.65 60.13 1i2a s ILE 196 Cb 0.17 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 1i2a s ILE 196 CO 0.38 -0.52 0.15 0.50 -1.23 0.00 0.00 174.94 174.22 1i2a h LYS 197 N 8.74 -0.12 -4.10 2.79 3.64 -0.88 -3.46 116.57 123.17 1i2a h LYS 197 Ca -0.23 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 58.94 1i2a h LYS 197 Cb 1.08 0.03 -0.23 0.00 -0.41 0.00 0.00 32.23 32.70 1i2a h LYS 197 CO 1.04 -0.08 -0.72 -0.51 -2.27 0.00 0.00 179.45 176.91 1i2a s ASP 198 N -5.28 0.37 0.04 4.20 1.01 -1.24 -4.99 116.67 110.79 1i2a s ASP 198 Ca -0.02 -0.39 0.06 0.00 0.71 0.00 0.00 52.55 52.91 1i2a s ASP 198 Cb 0.00 0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.96 1i2a s ASP 198 CO 0.06 -0.20 -0.18 0.00 0.21 0.00 0.00 175.17 175.07 1i2a s ALA 199 N -1.08 1.48 0.05 5.23 0.00 -1.26 -0.80 121.76 125.38 1i2a s ALA 199 Ca -0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1i2a s ALA 199 Cb -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1i2a s ALA 199 CO -0.00 0.31 -0.04 0.71 0.00 0.00 0.00 175.76 176.74 1i2a s TYR 200 N -0.82 0.54 -0.02 0.00 1.51 0.20 -0.12 117.35 118.64 1i2a s TYR 200 Ca 0.05 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.24 1i2a s TYR 200 Cb -0.08 -0.37 -0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1i2a s TYR 200 CO 0.02 -0.29 -0.11 0.08 -1.11 0.00 0.00 175.55 174.14 1i2a s VAL 201 N -3.22 0.88 0.08 0.71 1.01 -0.33 -0.82 120.40 118.71 1i2a s VAL 201 Ca 0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1i2a s VAL 201 Cb 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1i2a s VAL 201 CO -0.07 0.26 0.37 -1.59 0.00 0.00 0.00 175.10 174.08 1i2a s LYS 202 N 0.02 0.96 0.21 2.72 -2.85 -0.80 -0.66 119.74 119.34 1i2a s LYS 202 Ca -0.01 -0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 54.38 1i2a s LYS 202 Cb -0.07 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1i2a s LYS 202 CO 0.00 -0.34 0.41 -0.51 0.10 0.00 0.00 175.35 175.01 1i2a s LEU 203 N -2.40 4.21 0.12 2.77 1.43 -1.26 -0.44 118.68 123.10 1i2a s LEU 203 Ca -0.01 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1i2a s LEU 203 Cb 0.01 -3.20 0.08 0.00 0.03 0.00 0.00 46.19 43.11 1i2a s LEU 203 CO -0.07 -0.06 0.86 0.41 0.23 0.00 0.00 176.35 177.71 1i2a n THR 204 N -0.72 -0.32 -1.31 5.49 -1.04 0.20 -0.30 114.28 116.27 1i2a n THR 204 Ca -0.04 1.31 0.04 0.00 -2.04 0.00 0.00 64.05 63.31 1i2a n THR 204 Cb 0.54 -1.69 0.20 0.00 -1.82 0.00 0.00 70.33 67.56 1i2a n THR 204 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1i2a n MET 205 N -4.78 1.87 -3.58 -2.82 2.81 -1.26 -5.01 117.12 104.35 1i2a n MET 205 Ca 0.04 -3.01 -0.21 0.00 -1.81 0.00 0.00 57.70 52.71 1i2a n MET 205 Cb 0.20 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1i2a n MET 205 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1i2a s GLY 206 N -2.66 2.08 0.43 3.03 0.00 0.59 -4.72 107.32 106.07 1i2a s GLY 206 Ca 0.40 -1.85 -0.23 0.00 0.00 0.00 0.00 44.72 43.04 1i2a s GLY 206 CO 0.01 -1.67 1.05 2.56 0.00 0.00 0.00 173.10 175.05 1i2a s PRO 207 N -4.12 4.03 0.07 2.90 0.04 -1.26 -4.38 135.00 132.28 1i2a s PRO 207 Ca 0.47 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1i2a s PRO 207 Cb -0.04 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 1i2a s PRO 207 CO 0.28 -0.25 1.20 0.00 0.04 0.00 0.00 177.00 178.27 1i2a s ALA 208 N -1.75 3.40 -0.20 8.56 0.00 -1.26 -4.55 121.76 125.95 1i2a s ALA 208 Ca 0.61 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.39 1i2a s ALA 208 Cb -0.21 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1i2a s ALA 208 CO 0.26 -0.43 -0.04 0.08 0.00 0.00 0.00 175.76 175.62 1i2a s VAL 209 N 0.99 3.49 0.14 0.00 1.01 0.17 -4.91 120.40 121.28 1i2a s VAL 209 Ca 0.58 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1i2a s VAL 209 Cb -0.30 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 1i2a s VAL 209 CO 0.30 0.44 1.24 -0.75 0.00 0.00 0.00 175.10 176.32 1i2a s LYS 210 N 1.22 4.44 0.28 2.72 2.20 -1.26 -1.18 119.74 128.16 1i2a s LYS 210 Ca 0.03 1.89 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 1i2a s LYS 210 Cb -0.14 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 1i2a s LYS 210 CO -0.01 -0.21 1.03 0.08 -0.36 0.00 0.00 175.35 175.88 1i2a s VAL 211 N 0.48 3.76 0.00 4.02 1.01 0.82 -4.91 120.40 125.59 1i2a s VAL 211 Ca 0.57 1.71 0.00 0.00 0.00 0.00 0.00 61.98 64.25 1i2a s VAL 211 Cb -0.33 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1i2a s VAL 211 CO 0.33 0.36 0.00 1.17 0.00 0.00 0.00 175.10 176.96