#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iao n GLY 2 N 0.00 2.26 3.02 5.14 0.00 -1.26 -3.93 105.19 110.43 1iao n GLY 2 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1iao n GLY 2 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iao s ILE 323 N -1.30 1.74 -0.27 -0.61 1.01 -1.26 -5.02 121.20 115.48 1iao s ILE 323 Ca 0.10 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 1iao s ILE 323 Cb 0.09 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1iao s ILE 323 CO 0.01 0.21 0.88 -0.55 0.00 0.00 0.00 174.94 175.49 1iao s SER 324 N 1.36 6.83 0.14 3.58 0.15 -1.26 -4.76 113.70 119.73 1iao s SER 324 Ca -0.01 0.97 -0.12 0.00 0.70 0.00 0.00 55.95 57.49 1iao s SER 324 Cb -0.16 -2.46 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1iao s SER 324 CO -0.09 -0.62 0.49 -1.58 1.20 0.00 0.00 173.24 172.65 1iao s GLN 325 N 3.04 3.86 0.47 5.44 2.00 -1.26 -5.10 119.66 128.10 1iao s GLN 325 Ca 0.37 0.32 0.08 0.00 -2.00 0.00 0.00 55.36 54.13 1iao s GLN 325 Cb -0.14 -2.90 0.02 0.00 0.80 0.00 0.00 33.01 30.78 1iao s GLN 325 CO 0.10 0.48 0.54 0.00 -0.50 0.00 0.00 175.29 175.91 1iao s ALA 326 N -1.51 4.41 -0.23 1.58 0.00 -1.26 -4.88 121.76 119.87 1iao s ALA 326 Ca 0.38 -1.80 -0.06 0.00 0.00 0.00 0.00 51.96 50.47 1iao s ALA 326 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1iao s ALA 326 CO 0.19 -0.41 0.04 0.08 0.00 0.00 0.00 175.76 175.67 1iao s VAL 327 N -2.50 4.14 0.08 0.00 1.01 -1.26 -4.73 120.40 117.13 1iao s VAL 327 Ca 0.52 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1iao s VAL 327 Cb -0.06 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1iao s VAL 327 CO 0.31 0.37 1.32 -2.28 0.00 0.00 0.00 175.10 174.83 1iao s HIS 328 N 1.40 3.26 -0.11 5.22 2.46 -1.26 -4.91 115.29 121.35 1iao s HIS 328 Ca 0.05 1.06 -0.23 0.00 0.47 0.00 0.00 55.06 56.41 1iao s HIS 328 Cb -0.15 -3.58 -0.03 0.00 -0.13 0.00 0.00 32.58 28.69 1iao s HIS 328 CO 0.02 -1.97 0.71 0.00 -2.47 0.00 0.00 174.74 171.04 1iao s ALA 329 N 1.30 3.41 0.88 1.58 0.00 -1.26 -5.03 121.76 122.63 1iao s ALA 329 Ca 0.62 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 1iao s ALA 329 Cb -0.33 -3.01 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1iao s ALA 329 CO 0.29 -0.28 1.10 0.00 0.00 0.00 0.00 175.76 176.87 1iao s ALA 330 N 1.25 1.73 -0.14 0.00 0.00 -1.26 -5.05 121.76 118.28 1iao s ALA 330 Ca 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1iao s ALA 330 Cb -0.17 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1iao s ALA 330 CO 0.16 -2.21 -0.02 -1.01 0.00 0.00 0.00 175.76 172.68 1iao s HIS 331 N -3.07 3.07 0.84 0.00 3.76 -1.26 -5.10 115.29 113.53 1iao s HIS 331 Ca 0.63 -0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 1iao s HIS 331 Cb -0.16 -1.92 0.10 0.00 1.11 0.00 0.00 32.58 31.70 1iao s HIS 331 CO 0.55 0.11 1.11 0.00 -0.85 0.00 0.00 174.74 175.66 1iao s ALA 332 N 0.03 2.02 0.13 -1.40 0.00 -1.26 -4.98 121.76 116.30 1iao s ALA 332 Ca 0.01 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 1iao s ALA 332 Cb -0.13 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1iao s ALA 332 CO 0.02 -1.97 0.77 -2.00 0.00 0.00 0.00 175.76 172.59 1iao s GLU 333 N -5.16 4.54 -0.07 0.00 2.12 -1.26 -5.18 118.70 113.69 1iao s GLU 333 Ca 0.62 1.12 -0.26 0.00 0.36 0.00 0.00 54.97 56.81 1iao s GLU 333 Cb -0.15 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1iao s GLU 333 CO 0.54 0.48 0.84 0.42 -0.54 0.00 0.00 175.26 177.00 1iao s ILE 334 N -0.80 4.94 -0.39 -3.70 1.01 -1.26 -5.13 121.20 115.86 1iao s ILE 334 Ca 0.36 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.68 1iao s ILE 334 Cb -0.22 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 1iao s ILE 334 CO 0.25 0.16 0.90 1.57 0.00 0.00 0.00 174.94 177.82 1iao n HIS 6 N 4.23 0.06 -4.72 3.97 -0.00 -1.26 -5.31 115.22 112.19 1iao n HIS 6 Ca 0.03 0.04 -0.26 0.00 0.46 0.00 0.00 57.72 57.99 1iao n HIS 6 Cb 0.50 -0.39 -0.17 0.00 -0.12 0.00 0.00 29.99 29.82 1iao n HIS 6 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1iao s PHE 7 N 0.90 1.65 0.08 1.57 0.08 -1.26 -5.11 117.98 115.90 1iao s PHE 7 Ca 0.52 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 57.02 1iao s PHE 7 Cb -0.38 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1iao s PHE 7 CO 0.22 -0.28 -0.14 0.08 -0.10 0.00 0.00 175.22 175.00 1iao s VAL 8 N 0.51 1.12 0.02 -0.44 1.01 -1.26 -5.03 120.40 116.34 1iao s VAL 8 Ca -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 1iao s VAL 8 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1iao s VAL 8 CO 0.04 -0.26 0.05 0.68 0.00 0.00 0.00 175.10 175.62 1iao s VAL 9 N -1.40 0.12 -0.02 2.92 -7.23 -1.26 0.11 120.40 113.65 1iao s VAL 9 Ca -0.01 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 1iao s VAL 9 Cb -0.09 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1iao s VAL 9 CO 0.02 -0.54 0.11 -1.10 -0.31 0.00 0.00 175.10 173.28 1iao s GLN 10 N -2.00 0.33 -0.09 4.82 -0.21 0.13 -4.87 119.66 117.77 1iao s GLN 10 Ca -0.10 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.10 1iao s GLN 10 Cb -0.05 0.14 0.01 0.00 1.00 0.00 0.00 33.01 34.11 1iao s GLN 10 CO -0.02 -0.07 -0.14 0.12 -2.12 0.00 0.00 175.29 173.06 1iao s PHE 11 N -0.81 1.78 -0.20 0.91 5.36 -1.26 0.94 117.98 124.71 1iao s PHE 11 Ca -0.09 -0.77 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 1iao s PHE 11 Cb -0.05 -1.29 0.03 0.00 -0.34 0.00 0.00 43.02 41.36 1iao s PHE 11 CO 0.01 -0.40 -0.17 0.15 -1.46 0.00 0.00 175.22 173.36 1iao s LYS 12 N 0.86 2.87 -0.28 10.12 1.02 0.58 -4.96 119.74 129.95 1iao s LYS 12 Ca -0.10 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 54.84 1iao s LYS 12 Cb -0.15 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1iao s LYS 12 CO 0.01 -0.29 0.28 0.20 -0.92 0.00 0.00 175.35 174.63 1iao s GLY 13 N 1.27 1.91 -0.07 -3.33 0.00 -1.26 -0.82 107.32 105.02 1iao s GLY 13 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1iao s GLY 13 CO -0.10 0.82 -0.07 -0.54 0.00 0.00 0.00 173.10 173.21 1iao s GLU 14 N 1.91 1.18 -0.19 2.90 2.02 0.56 -5.01 118.70 122.07 1iao s GLU 14 Ca 0.11 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.91 1iao s GLU 14 Cb -0.16 -1.17 0.04 0.00 0.10 0.00 0.00 34.13 32.94 1iao s GLU 14 CO 0.11 -0.12 -0.12 0.00 0.02 0.00 0.00 175.26 175.14 1iao s TYR 16 N 1.38 3.21 -0.38 0.00 1.51 0.02 -4.94 117.35 118.16 1iao s TYR 16 Ca 0.00 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 1iao s TYR 16 Cb -0.15 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.06 1iao s TYR 16 CO -0.09 -0.51 0.27 0.71 -1.11 0.00 0.00 175.55 174.82 1iao s TYR 17 N 1.87 3.23 -0.21 2.71 2.02 -1.26 -1.18 117.35 124.54 1iao s TYR 17 Ca 0.08 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 1iao s TYR 17 Cb -0.18 -2.54 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 1iao s TYR 17 CO 0.11 -0.50 0.34 0.99 -1.57 0.00 0.00 175.55 174.92 1iao s THR 18 N 1.69 5.24 -0.51 -0.71 2.01 -0.16 -4.40 115.64 118.81 1iao s THR 18 Ca 0.05 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1iao s THR 18 Cb -0.18 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.70 1iao s THR 18 CO 0.10 0.27 0.65 -3.20 -0.69 0.00 0.00 174.62 171.76 1iao n ASN 19 N 4.43 -5.85 0.00 3.53 5.15 -1.26 -2.06 115.26 119.20 1iao n ASN 19 Ca -0.10 -0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1iao n ASN 19 Cb 0.51 -2.33 0.00 0.00 -0.53 0.00 0.00 39.78 37.43 1iao n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iao n GLY 20 N -0.46 1.73 0.74 8.20 0.00 -1.26 -1.06 105.19 113.08 1iao n GLY 20 Ca -0.09 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1iao n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iao n THR 21 N 0.00 0.51 0.32 2.61 -2.24 -1.26 -4.17 114.28 110.05 1iao n THR 21 Ca 0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1iao n THR 21 Cb 0.00 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 1iao n THR 21 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1iao h GLN 22 N 0.77 -0.79 -4.90 -0.78 4.15 -1.05 -3.39 115.11 109.12 1iao h GLN 22 Ca 0.00 0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.80 1iao h GLN 22 Cb 0.75 0.18 -0.34 0.00 0.21 0.00 0.00 27.48 28.28 1iao h GLN 22 CO 0.09 -0.48 -0.78 0.50 -1.93 0.00 0.00 178.83 176.24 1iao s ARG 23 N -5.15 2.59 -0.13 1.69 3.52 -0.88 -5.01 118.95 115.58 1iao s ARG 23 Ca -0.15 -1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 54.28 1iao s ARG 23 Cb 0.02 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1iao s ARG 23 CO 0.52 -0.46 0.01 0.42 -0.81 0.00 0.00 175.30 174.98 1iao s ILE 24 N 1.23 4.32 -0.06 4.11 1.01 -1.26 -0.98 121.20 129.56 1iao s ILE 24 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1iao s ILE 24 Cb -0.18 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1iao s ILE 24 CO -0.06 0.54 -0.12 -0.60 0.00 0.00 0.00 174.94 174.71 1iao s ARG 25 N -0.28 1.65 -0.22 2.79 3.52 -0.32 -4.99 118.95 121.09 1iao s ARG 25 Ca 0.06 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1iao s ARG 25 Cb -0.12 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 1iao s ARG 25 CO 0.02 0.03 0.03 -1.17 -0.81 0.00 0.00 175.30 173.41 1iao s LEU 26 N 0.64 3.35 -0.10 -0.88 0.20 -1.26 -0.80 118.68 119.82 1iao s LEU 26 Ca -0.14 -0.20 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 1iao s LEU 26 Cb -0.15 -1.87 0.03 0.00 -0.43 0.00 0.00 46.19 43.76 1iao s LEU 26 CO 0.03 0.02 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.37 1iao s VAL 27 N 1.27 0.88 -0.03 1.68 1.01 0.10 -0.87 120.40 124.43 1iao s VAL 27 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1iao s VAL 27 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1iao s VAL 27 CO 0.02 0.34 -0.12 0.42 0.00 0.00 0.00 175.10 175.76 1iao s THR 28 N 1.74 3.23 -0.01 3.92 -4.23 -0.34 -0.32 115.64 119.63 1iao s THR 28 Ca 0.04 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1iao s THR 28 Cb -0.13 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1iao s THR 28 CO -0.07 0.53 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.35 1iao s ARG 29 N -0.94 0.52 -0.23 3.99 0.52 0.00 -1.60 118.95 121.21 1iao s ARG 29 Ca 0.13 -0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 1iao s ARG 29 Cb -0.11 -0.51 -0.01 0.00 0.52 0.00 0.00 34.95 34.84 1iao s ARG 29 CO 0.02 0.10 -0.01 0.71 0.02 0.00 0.00 175.30 176.14 1iao s TYR 30 N 0.01 3.00 -0.05 -0.53 1.51 -0.70 -0.30 117.35 120.28 1iao s TYR 30 Ca 0.00 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1iao s TYR 30 Cb -0.04 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1iao s TYR 30 CO -0.00 -0.47 -0.16 0.42 -1.11 0.00 0.00 175.55 174.23 1iao s ILE 31 N 1.46 2.94 -0.36 2.71 1.09 0.27 -0.87 121.20 128.44 1iao s ILE 31 Ca 0.05 -0.77 0.01 0.00 -1.10 0.00 0.00 60.65 58.85 1iao s ILE 31 Cb -0.14 -2.14 0.10 0.00 -1.06 0.00 0.00 42.46 39.21 1iao s ILE 31 CO -0.01 0.59 0.09 -0.47 -0.10 0.00 0.00 174.94 175.04 1iao s TYR 32 N -0.64 3.63 0.00 3.97 5.04 -0.24 0.22 117.35 129.33 1iao s TYR 32 Ca 0.10 -2.65 0.00 0.00 -2.44 0.00 0.00 57.07 52.08 1iao s TYR 32 Cb -0.11 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.29 1iao s TYR 32 CO 0.01 -0.94 0.00 0.09 -1.34 0.00 0.00 175.55 173.36 1iao n ASN 33 N 4.42 0.00 0.00 4.32 3.02 0.31 -1.87 115.26 125.47 1iao n ASN 33 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1iao n ASN 33 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1iao n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1iao n ARG 34 N 0.00 0.20 -3.66 3.52 1.74 -1.26 -4.82 116.66 112.38 1iao n ARG 34 Ca 0.00 -0.45 -0.38 0.00 -0.77 0.00 0.00 57.85 56.24 1iao n ARG 34 Cb 0.00 -0.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.77 1iao n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1iao s GLU 35 N -0.08 3.54 0.07 5.56 2.12 -0.78 -5.06 118.70 124.07 1iao s GLU 35 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1iao s GLU 35 Cb 0.00 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.79 1iao s GLU 35 CO 0.00 -0.32 1.15 -2.00 -0.54 0.00 0.00 175.26 173.55 1iao s GLU 36 N 1.65 4.48 -0.09 4.30 2.12 -1.26 -1.07 118.70 128.82 1iao s GLU 36 Ca 0.06 1.70 0.09 0.00 0.36 0.00 0.00 54.97 57.18 1iao s GLU 36 Cb -0.16 -3.35 -0.13 0.00 0.26 0.00 0.00 34.13 30.74 1iao s GLU 36 CO 0.07 -0.17 0.06 2.48 -0.54 0.00 0.00 175.26 177.16 1iao n TYR 37 N 3.66 0.00 -3.97 5.30 4.11 -0.05 -4.31 117.16 121.89 1iao n TYR 37 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.89 1iao n TYR 37 Cb 0.47 -0.48 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 1iao n TYR 37 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1iao s VAL 38 N -2.30 0.15 -0.05 -3.48 1.01 -1.24 -0.13 120.40 114.36 1iao s VAL 38 Ca -0.05 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.52 1iao s VAL 38 Cb 0.03 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1iao s VAL 38 CO 0.42 -0.69 0.37 -0.60 0.00 0.00 0.00 175.10 174.60 1iao s ARG 39 N -2.82 0.66 -0.09 2.72 3.52 -0.36 -1.73 118.95 120.84 1iao s ARG 39 Ca -0.03 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 1iao s ARG 39 Cb 0.00 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 1iao s ARG 39 CO -0.06 -0.17 -0.19 -0.47 -0.81 0.00 0.00 175.30 173.61 1iao s TYR 40 N -0.91 2.15 -0.05 5.12 5.04 -0.62 -0.32 117.35 127.76 1iao s TYR 40 Ca -0.10 -0.90 0.03 0.00 -2.44 0.00 0.00 57.07 53.66 1iao s TYR 40 Cb -0.04 -1.49 0.01 0.00 0.35 0.00 0.00 41.96 40.79 1iao s TYR 40 CO 0.04 -0.40 -0.12 0.34 -1.34 0.00 0.00 175.55 174.07 1iao s ASP 41 N 0.56 1.69 0.17 4.32 -1.08 -1.25 -1.20 116.67 119.88 1iao s ASP 41 Ca -0.15 -0.28 -0.18 0.00 -0.52 0.00 0.00 52.55 51.42 1iao s ASP 41 Cb -0.17 -0.64 0.09 0.00 -1.46 0.00 0.00 42.92 40.74 1iao s ASP 41 CO 0.05 0.06 1.66 0.28 0.52 0.00 0.00 175.17 177.74 1iao h SER 42 N 6.67 -0.49 -0.59 -0.34 0.02 -1.38 0.56 113.55 118.01 1iao h SER 42 Ca -0.32 0.13 0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1iao h SER 42 Cb 1.18 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1iao h SER 42 CO 0.48 -0.17 0.40 0.44 -1.14 0.00 0.00 176.83 176.84 1iao h ASP 43 N -0.06 0.22 0.44 3.07 3.32 -1.95 -1.94 116.42 119.52 1iao h ASP 43 Ca 0.19 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 1iao h ASP 43 Cb 0.35 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1iao h ASP 43 CO -0.42 0.13 -1.70 0.52 -1.72 0.00 0.00 179.24 176.04 1iao n VAL 44 N -4.44 0.98 0.00 -1.35 0.31 -0.01 -4.97 118.33 108.85 1iao n VAL 44 Ca 0.10 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1iao n VAL 44 Cb 0.48 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1iao n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iao n GLY 45 N 1.43 2.82 3.38 2.92 0.00 0.18 -4.98 105.19 110.94 1iao n GLY 45 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1iao n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iao s GLU 46 N -0.18 1.48 0.32 1.61 -1.05 -1.26 -4.91 118.70 114.72 1iao s GLU 46 Ca 0.00 -1.56 -0.28 0.00 -0.15 0.00 0.00 54.97 52.98 1iao s GLU 46 Cb 0.00 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1iao s GLU 46 CO 0.00 -0.56 1.15 0.71 0.95 0.00 0.00 175.26 177.51 1iao s TYR 47 N -3.86 3.36 -0.02 4.83 1.51 -1.26 -3.86 117.35 118.04 1iao s TYR 47 Ca 0.32 1.61 -0.01 0.00 -1.01 0.00 0.00 57.07 57.98 1iao s TYR 47 Cb 0.03 -3.38 0.01 0.00 -0.11 0.00 0.00 41.96 38.51 1iao s TYR 47 CO 0.14 -0.97 0.05 1.03 -1.11 0.00 0.00 175.55 174.69 1iao s ARG 48 N -1.73 0.04 0.04 -0.62 1.81 0.57 -4.92 118.95 114.13 1iao s ARG 48 Ca 0.48 0.11 -0.30 0.00 -1.72 0.00 0.00 55.73 54.30 1iao s ARG 48 Cb -0.33 -0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.09 1iao s ARG 48 CO 0.42 -0.05 1.11 0.00 -0.68 0.00 0.00 175.30 176.11 1iao s ALA 49 N 0.30 3.30 -0.02 2.13 0.00 -1.26 -1.22 121.76 124.98 1iao s ALA 49 Ca -0.02 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1iao s ALA 49 Cb -0.03 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 1iao s ALA 49 CO -0.01 -0.35 0.74 -0.39 0.00 0.00 0.00 175.76 175.74 1iao h VAL 50 N 4.62 0.97 -4.13 0.00 -1.51 -0.81 -3.48 116.25 111.92 1iao h VAL 50 Ca -0.41 -2.77 -0.47 0.00 -1.23 0.00 0.00 66.70 61.82 1iao h VAL 50 Cb 1.22 2.53 -0.13 0.00 -2.13 0.00 0.00 31.29 32.77 1iao h VAL 50 CO 0.79 0.64 -0.52 0.42 -1.23 0.00 0.00 177.57 177.67 1iao s THR 51 N -2.61 0.21 0.22 7.19 -4.23 -1.11 -5.00 115.64 110.30 1iao s THR 51 Ca -0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 1iao s THR 51 Cb 0.08 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.61 1iao s THR 51 CO 0.82 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 176.38 1iao h GLU 52 N 2.10 0.67 0.00 3.99 5.08 -1.93 -0.86 114.58 123.63 1iao h GLU 52 Ca -0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1iao h GLU 52 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1iao h GLU 52 CO 0.46 0.44 0.35 -0.07 -1.00 0.00 0.00 179.01 179.19 1iao h LEU 53 N 0.69 0.00 0.00 1.33 3.38 -1.97 -1.12 115.31 117.62 1iao h LEU 53 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1iao h LEU 53 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1iao h LEU 53 CO -0.20 0.00 -1.49 0.61 0.09 0.00 0.00 178.44 177.45 1iao n GLY 54 N -1.26 -0.98 0.33 0.83 0.00 -0.33 -4.56 105.19 99.22 1iao n GLY 54 Ca -0.01 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 45.65 1iao n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iao h ARG 55 N 0.00 0.35 -0.05 1.61 3.08 -1.17 -2.47 114.38 115.73 1iao h ARG 55 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1iao h ARG 55 Cb 0.74 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1iao h ARG 55 CO 0.00 0.23 -0.07 -1.35 -1.07 0.00 0.00 179.97 177.71 1iao h PRO 56 N 0.36 0.13 -0.49 0.04 0.11 -1.80 -3.02 132.00 127.33 1iao h PRO 56 Ca 0.67 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.71 1iao h PRO 56 Cb 1.42 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 1iao h PRO 56 CO -0.58 0.63 0.33 -0.44 -0.21 0.00 0.00 178.00 177.72 1iao h ASP 57 N -0.36 0.54 0.09 -2.05 3.32 -1.74 -1.02 116.42 115.20 1iao h ASP 57 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iao h ASP 57 Cb 0.62 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1iao h ASP 57 CO 0.02 0.39 -0.04 0.00 -1.72 0.00 0.00 179.24 177.89 1iao h ALA 58 N 1.70 -0.11 -0.23 3.45 0.00 -1.52 -0.59 119.26 121.95 1iao h ALA 58 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iao h ALA 58 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iao h ALA 58 CO -0.04 -0.35 0.10 1.49 0.00 0.00 0.00 179.25 180.45 1iao h GLU 59 N -0.55 0.32 0.10 0.00 4.81 -1.37 -1.56 114.58 116.34 1iao h GLU 59 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1iao h GLU 59 Cb 0.46 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1iao h GLU 59 CO 0.02 0.26 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.59 1iao h TYR 60 N 0.32 -0.13 -0.92 0.92 3.20 -1.14 -3.23 116.97 115.99 1iao h TYR 60 Ca 0.08 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1iao h TYR 60 Cb 0.05 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 1iao h TYR 60 CO 0.00 -0.08 0.59 -1.49 -1.64 0.00 0.00 178.16 175.54 1iao h TRP 61 N -0.81 0.90 0.00 -3.82 6.55 -1.12 0.19 115.95 117.84 1iao h TRP 61 Ca -0.01 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1iao h TRP 61 Cb 0.10 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 1iao h TRP 61 CO 0.01 0.32 -0.23 -0.91 -1.05 0.00 0.00 178.44 176.57 1iao h ASN 62 N 0.75 0.00 0.57 -3.49 2.35 -1.43 -2.60 115.58 111.73 1iao h ASN 62 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1iao h ASN 62 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1iao h ASN 62 CO -0.23 0.23 -0.56 -1.54 -1.65 0.00 0.00 177.43 173.68 1iao n SER 63 N -3.80 0.55 -4.38 5.81 3.41 -0.01 -4.61 113.62 110.59 1iao n SER 63 Ca -0.02 -0.17 -0.45 0.00 -0.26 0.00 0.00 58.87 57.97 1iao n SER 63 Cb 0.33 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1iao n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1iao s GLN 64 N -3.05 3.45 0.33 4.33 -1.52 -0.80 -4.92 119.66 117.49 1iao s GLN 64 Ca 0.09 -1.95 0.11 0.00 -1.95 0.00 0.00 55.36 51.67 1iao s GLN 64 Cb 0.16 -4.55 1.02 0.00 -0.22 0.00 0.00 33.01 29.43 1iao s GLN 64 CO 0.71 -1.51 1.62 -1.35 -0.25 0.00 0.00 175.29 174.51 1iao h PRO 65 N 8.48 0.14 0.01 2.91 0.11 -1.81 0.30 132.00 142.14 1iao h PRO 65 Ca 0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1iao h PRO 65 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1iao h PRO 65 CO 0.96 0.09 -0.01 1.05 -0.21 0.00 0.00 178.00 179.88 1iao h GLU 66 N 0.14 -0.01 0.69 1.05 9.09 -1.92 -1.12 114.58 122.50 1iao h GLU 66 Ca 0.70 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 60.08 1iao h GLU 66 Cb 1.63 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.74 1iao h GLU 66 CO -0.72 0.01 -0.33 0.82 0.05 0.00 0.00 179.01 178.84 1iao h ILE 67 N -0.04 0.00 -0.76 -1.06 2.04 -0.76 -1.51 117.51 115.42 1iao h ILE 67 Ca -0.00 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.66 1iao h ILE 67 Cb 0.03 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 1iao h ILE 67 CO 0.00 0.00 0.50 0.25 0.00 0.00 0.00 178.15 178.90 1iao h LEU 68 N -1.25 0.48 0.00 1.44 5.85 -1.08 -1.15 115.31 119.60 1iao h LEU 68 Ca -0.09 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1iao h LEU 68 Cb 0.71 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1iao h LEU 68 CO 0.16 0.26 -0.69 0.44 -0.34 0.00 0.00 178.44 178.27 1iao h ASP 69 N 0.52 0.00 0.08 1.25 5.19 -1.22 -2.59 116.42 119.65 1iao h ASP 69 Ca 0.37 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.50 1iao h ASP 69 Cb 0.70 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.23 1iao h ASP 69 CO -0.13 0.22 -1.12 -0.09 -3.12 0.00 0.00 179.24 175.00 1iao h ARG 70 N 0.00 0.65 -0.34 3.56 2.43 -0.29 -3.14 114.38 117.26 1iao h ARG 70 Ca -0.03 -0.77 -0.06 0.00 -0.81 0.00 0.00 59.98 58.31 1iao h ARG 70 Cb 1.20 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1iao h ARG 70 CO 0.02 1.33 -0.02 1.15 -1.51 0.00 0.00 179.97 180.95 1iao h THR 71 N 0.34 1.26 -0.33 0.20 2.02 -1.30 -2.47 112.91 112.63 1iao h THR 71 Ca -0.15 -1.01 0.07 0.00 0.77 0.00 0.00 66.41 66.09 1iao h THR 71 Cb 1.78 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 69.38 1iao h THR 71 CO 0.22 0.33 -0.09 0.03 0.37 0.00 0.00 175.52 176.38 1iao h ARG 72 N 0.40 -0.01 0.00 6.66 3.08 -1.52 -0.06 114.38 122.93 1iao h ARG 72 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1iao h ARG 72 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1iao h ARG 72 CO 0.02 -0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1iao n ALA 73 N -2.61 2.23 0.27 0.04 0.00 -1.19 -3.39 120.51 115.86 1iao n ALA 73 Ca 0.01 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.50 1iao n ALA 73 Cb 0.19 -1.40 0.88 0.00 0.00 0.00 0.00 19.45 19.12 1iao n ALA 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iao h GLU 74 N 0.00 0.00 0.00 0.00 4.81 -0.51 0.49 114.58 119.37 1iao h GLU 74 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1iao h GLU 74 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1iao h GLU 74 CO 0.00 0.00 -0.46 -0.24 -0.73 0.00 0.00 179.01 177.58 1iao h VAL 75 N 0.00 0.96 0.02 0.32 3.04 -1.70 -1.94 116.25 116.95 1iao h VAL 75 Ca 0.00 -1.85 -0.35 0.00 -1.01 0.00 0.00 66.70 63.49 1iao h VAL 75 Cb 0.08 2.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.43 1iao h VAL 75 CO 0.00 0.45 -1.96 0.47 -1.01 0.00 0.00 177.57 175.52 1iao n ASP 76 N -3.45 1.96 -0.20 3.17 9.92 -0.08 -1.16 116.55 126.70 1iao n ASP 76 Ca 0.00 0.28 -0.06 0.00 -0.53 0.00 0.00 54.79 54.49 1iao n ASP 76 Cb 0.60 -0.83 0.04 0.00 -0.64 0.00 0.00 41.12 40.29 1iao n ASP 76 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1iao h THR 77 N -0.67 1.12 0.00 -3.53 1.35 -1.07 -2.26 112.91 107.85 1iao h THR 77 Ca -0.51 -0.26 -0.43 0.00 -0.55 0.00 0.00 66.41 64.67 1iao h THR 77 Cb 1.61 0.30 -0.07 0.00 -1.73 0.00 0.00 68.15 68.27 1iao h THR 77 CO -0.21 0.14 -2.46 0.00 -0.25 0.00 0.00 175.52 172.74 1iao n ALA 78 N -2.27 1.27 -0.01 6.62 0.00 -0.73 -4.28 120.51 121.11 1iao n ALA 78 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 1iao n ALA 78 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1iao n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iao h ARG 80 N -1.02 0.20 0.45 0.00 2.43 -1.15 0.31 114.38 115.60 1iao h ARG 80 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1iao h ARG 80 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1iao h ARG 80 CO 0.02 0.13 -0.24 1.25 -1.51 0.00 0.00 179.97 179.62 1iao h HIS 81 N 0.21 -0.63 -0.41 2.20 2.76 -1.52 -1.86 115.15 115.90 1iao h HIS 81 Ca 0.21 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1iao h HIS 81 Cb 0.27 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1iao h HIS 81 CO -0.22 -0.38 0.06 -0.91 -1.30 0.00 0.00 177.93 175.18 1iao h ASN 82 N -0.64 0.58 0.19 3.26 4.21 -0.32 0.26 115.58 123.13 1iao h ASN 82 Ca -0.06 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 1iao h ASN 82 Cb 0.51 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1iao h ASN 82 CO 0.08 0.61 -0.09 0.22 -1.29 0.00 0.00 177.43 176.96 1iao h TYR 83 N 0.61 -0.24 -0.19 1.19 3.20 -0.28 -0.22 116.97 121.04 1iao h TYR 83 Ca 0.13 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1iao h TYR 83 Cb 0.29 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1iao h TYR 83 CO 0.01 -0.15 0.13 0.93 -1.64 0.00 0.00 178.16 177.45 1iao h GLU 84 N -0.44 0.17 0.00 1.82 5.08 -1.38 -2.37 114.58 117.46 1iao h GLU 84 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1iao h GLU 84 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1iao h GLU 84 CO 0.04 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 1iao n GLY 85 N -1.53 0.86 0.43 -3.84 0.00 0.93 -4.47 105.19 97.56 1iao n GLY 85 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1iao n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iao h PRO 86 N 0.00 -0.80 -0.91 1.61 0.11 -1.65 -3.08 132.00 127.27 1iao h PRO 86 Ca 0.00 0.05 0.20 0.00 0.11 0.00 0.00 66.00 66.36 1iao h PRO 86 Cb 0.00 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.22 1iao h PRO 86 CO 0.00 -0.54 0.60 0.93 -0.21 0.00 0.00 178.00 178.78 1iao h GLU 87 N -0.83 0.43 -0.06 1.05 4.39 -1.12 -1.43 114.58 117.01 1iao h GLU 87 Ca -0.05 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1iao h GLU 87 Cb 0.74 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1iao h GLU 87 CO -0.09 0.28 -0.39 1.15 -1.16 0.00 0.00 179.01 178.80 1iao h THR 88 N 0.44 1.30 -0.52 1.13 2.02 -1.33 -0.99 112.91 114.94 1iao h THR 88 Ca 0.47 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1iao h THR 88 Cb 1.13 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1iao h THR 88 CO -0.19 0.42 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1iao n SER 89 N -4.05 3.76 0.00 4.18 3.41 -0.56 -4.01 113.62 116.35 1iao n SER 89 Ca -0.02 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1iao n SER 89 Cb 0.45 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1iao n SER 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1iao n THR 90 N 0.90 0.00 -0.07 6.66 -1.04 -1.00 -4.87 114.28 114.86 1iao n THR 90 Ca 0.20 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.09 1iao n THR 90 Cb 0.70 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.15 1iao n THR 90 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1iao h SER 91 N 0.00 0.39 0.75 8.00 0.02 -1.63 -2.98 113.55 118.11 1iao h SER 91 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1iao h SER 91 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1iao h SER 91 CO 0.00 0.70 0.00 -0.07 -1.14 0.00 0.00 176.83 176.32 1iao h LEU 92 N 0.08 0.00 -0.61 5.07 4.07 -1.43 -2.72 115.31 119.77 1iao h LEU 92 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1iao h LEU 92 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1iao h LEU 92 CO 0.02 0.00 -0.66 0.54 -1.08 0.00 0.00 178.44 177.26 1iao n ARG 93 N -2.53 0.84 -2.22 1.13 1.74 -1.18 -4.94 116.66 109.49 1iao n ARG 93 Ca 0.01 -0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 56.07 1iao n ARG 93 Cb 0.24 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1iao n ARG 93 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1iao s ARG 94 N -2.63 4.31 -0.13 5.56 3.52 -1.03 -5.01 118.95 123.55 1iao s ARG 94 Ca 0.14 2.00 -0.02 0.00 -0.13 0.00 0.00 55.73 57.72 1iao s ARG 94 Cb 0.17 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1iao s ARG 94 CO 0.67 -0.48 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.17 1iao s LEU 94 N 1.70 0.99 -0.24 -0.88 1.43 -1.26 -4.22 118.68 116.21 1iao s LEU 94 Ca 0.64 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1iao s LEU 94 Cb -0.34 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.31 1iao s LEU 94 CO 0.29 -0.22 -0.08 -1.61 0.23 0.00 0.00 176.35 174.95 1iao s GLU 95 N 1.86 2.86 -0.10 1.70 0.41 0.42 -4.92 118.70 120.92 1iao s GLU 95 Ca 0.02 -0.95 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1iao s GLU 95 Cb -0.14 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.26 1iao s GLU 95 CO -0.07 -0.37 1.29 -0.65 -0.49 0.00 0.00 175.26 174.97 1iao s GLN 96 N 1.31 4.27 1.09 1.61 -0.21 -1.26 -2.87 119.66 123.60 1iao s GLN 96 Ca 0.01 1.74 -0.13 0.00 0.02 0.00 0.00 55.36 57.00 1iao s GLN 96 Cb -0.16 -3.69 0.24 0.00 1.00 0.00 0.00 33.01 30.40 1iao s GLN 96 CO -0.06 -0.62 1.06 -1.25 -2.12 0.00 0.00 175.29 172.30 1iao s PRO 97 N 2.98 -0.32 -0.34 2.91 0.04 -1.26 -4.67 135.00 134.35 1iao s PRO 97 Ca 0.57 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.34 1iao s PRO 97 Cb -0.25 -1.63 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1iao s PRO 97 CO 0.19 -3.28 0.09 -0.80 0.04 0.00 0.00 177.00 173.24 1iao s ASN 98 N -2.94 4.33 0.11 6.66 0.01 -0.10 -4.90 114.94 118.12 1iao s ASN 98 Ca 0.67 -1.95 -0.30 0.00 -0.71 0.00 0.00 52.86 50.56 1iao s ASN 98 Cb -0.22 -1.22 -0.07 0.00 0.41 0.00 0.00 41.25 40.15 1iao s ASN 98 CO 0.61 -0.39 1.17 0.68 -1.51 0.00 0.00 177.10 177.67 1iao s VAL 99 N 1.19 3.91 -0.25 1.60 -7.23 -1.25 -3.27 120.40 115.09 1iao s VAL 99 Ca 0.11 1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 61.66 1iao s VAL 99 Cb -0.19 -3.94 0.11 0.00 0.56 0.00 0.00 36.38 32.92 1iao s VAL 99 CO -0.16 0.17 0.55 0.00 -0.31 0.00 0.00 175.10 175.35 1iao s ALA 100 N 0.53 -1.63 -0.20 1.32 0.00 -1.11 -4.96 121.76 115.71 1iao s ALA 100 Ca 0.55 1.97 -0.10 0.00 0.00 0.00 0.00 51.96 54.37 1iao s ALA 100 Cb -0.30 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1iao s ALA 100 CO 0.32 -0.80 0.15 0.96 0.00 0.00 0.00 175.76 176.39 1iao s ILE 101 N 2.66 5.39 0.46 0.00 -0.00 -1.26 -0.79 121.20 127.66 1iao s ILE 101 Ca -0.05 0.22 0.03 0.00 -0.00 0.00 0.00 60.65 60.85 1iao s ILE 101 Cb -0.12 -3.49 -0.02 0.00 -0.00 0.00 0.00 42.46 38.84 1iao s ILE 101 CO -0.16 0.42 0.07 -0.94 -0.00 0.00 0.00 174.94 174.33 1iao s SER 102 N 0.50 3.41 -0.06 4.36 1.04 -0.63 -4.99 113.70 117.33 1iao s SER 102 Ca 0.09 -1.67 0.04 0.00 0.48 0.00 0.00 55.95 54.88 1iao s SER 102 Cb -0.12 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1iao s SER 102 CO -0.00 -0.90 -0.17 -1.48 0.98 0.00 0.00 173.24 171.67 1iao s LEU 103 N -3.73 2.57 -0.16 2.42 -0.00 -1.26 -2.64 118.68 115.87 1iao s LEU 103 Ca 0.15 -0.30 -0.40 0.00 -0.00 0.00 0.00 54.13 53.59 1iao s LEU 103 Cb 0.02 -1.52 -0.19 0.00 -0.00 0.00 0.00 46.19 44.50 1iao s LEU 103 CO 0.09 0.29 1.18 -0.24 -0.00 0.00 0.00 176.35 177.67 1iao n SER 104 N 2.67 0.39 -4.42 1.48 2.88 -1.20 -4.45 113.62 110.98 1iao n SER 104 Ca -0.17 1.10 -0.15 0.00 -1.33 0.00 0.00 58.87 58.32 1iao n SER 104 Cb 0.52 -0.85 -0.14 0.00 -0.75 0.00 0.00 64.21 62.99 1iao n SER 104 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1iao n ARG 105 N 2.22 0.13 -0.51 -1.46 0.00 -1.26 -2.52 116.66 113.26 1iao n ARG 105 Ca 0.22 -0.36 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1iao n ARG 105 Cb 0.03 -1.89 0.00 0.00 -0.00 0.00 0.00 32.46 30.60 1iao n ARG 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iao n THR 106 N 6.38 0.00 0.00 8.89 -2.24 -1.26 -5.03 114.28 121.02 1iao n THR 106 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1iao n THR 106 Cb 0.31 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1iao n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iao n GLU 107 N -2.48 0.00 -3.63 -0.78 0.00 -1.05 -4.89 120.64 107.82 1iao n GLU 107 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 1iao n GLU 107 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 1iao n GLU 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iao n ALA 108 N -2.32 -1.77 -3.89 -1.84 0.00 -1.26 -4.93 120.51 104.50 1iao n ALA 108 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1iao n ALA 108 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 1iao n ALA 108 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1iao n LEU 109 N -4.43 0.00 -4.01 0.00 -0.00 -1.26 -4.64 117.00 102.66 1iao n LEU 109 Ca -0.19 -1.81 -0.29 0.00 -0.00 0.00 0.00 56.01 53.73 1iao n LEU 109 Cb 0.63 0.77 -0.01 0.00 -0.00 0.00 0.00 43.42 44.81 1iao n LEU 109 CO 0.67 -0.29 -0.11 0.59 -0.00 0.00 0.00 177.39 178.24 1iao n ASN 110 N -1.99 -1.89 -1.56 1.45 5.03 -1.26 -4.40 115.26 110.64 1iao n ASN 110 Ca 0.00 -0.96 -0.00 0.00 0.87 0.00 0.00 54.58 54.49 1iao n ASN 110 Cb 0.35 -3.16 -0.00 0.00 -1.02 0.00 0.00 39.78 35.95 1iao n ASN 110 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1iao n HIS 111 N -4.43 -0.22 -1.10 3.10 -0.00 -1.26 -5.04 115.22 106.27 1iao n HIS 111 Ca -0.15 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1iao n HIS 111 Cb 0.61 -1.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.97 1iao n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1iao n HIS 112 N 0.06 0.00 -1.54 1.57 -0.00 -1.26 -5.02 115.22 109.03 1iao n HIS 112 Ca -0.01 0.00 -0.53 0.00 0.46 0.00 0.00 57.72 57.63 1iao n HIS 112 Cb 0.02 -1.10 -0.06 0.00 -0.12 0.00 0.00 29.99 28.73 1iao n HIS 112 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1iao n ASN 113 N 0.00 0.69 -4.19 0.26 3.02 -0.94 -4.44 115.26 109.66 1iao n ASN 113 Ca 0.00 1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 55.35 1iao n ASN 113 Cb 0.00 -1.08 -0.14 0.00 -0.61 0.00 0.00 39.78 37.95 1iao n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1iao s THR 114 N 0.00 2.83 0.04 3.41 2.01 -1.26 0.57 115.64 123.25 1iao s THR 114 Ca 0.82 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 1iao s THR 114 Cb -1.04 -2.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1iao s THR 114 CO 0.53 0.14 0.63 -0.76 -0.69 0.00 0.00 174.62 174.47 1iao s LEU 115 N 1.30 4.47 -0.13 4.42 1.43 0.26 -3.22 118.68 127.21 1iao s LEU 115 Ca -0.01 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 1iao s LEU 115 Cb -0.17 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1iao s LEU 115 CO -0.04 0.15 -0.19 -0.69 0.23 0.00 0.00 176.35 175.81 1iao s VAL 116 N -0.52 1.82 -0.23 -1.59 1.01 -1.08 -0.74 120.40 119.07 1iao s VAL 116 Ca 0.32 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1iao s VAL 116 Cb -0.19 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1iao s VAL 116 CO 0.19 0.50 0.13 0.00 0.00 0.00 0.00 175.10 175.93 1iao s SER 118 N 0.93 5.30 -0.46 0.00 0.01 0.03 -1.59 113.70 117.93 1iao s SER 118 Ca 0.07 -1.98 -0.16 0.00 1.31 0.00 0.00 55.95 55.18 1iao s SER 118 Cb -0.13 -1.85 0.05 0.00 0.21 0.00 0.00 66.02 64.30 1iao s SER 118 CO 0.03 -0.55 0.43 -0.69 0.41 0.00 0.00 173.24 172.87 1iao s VAL 119 N 1.17 5.15 0.23 3.43 1.01 -0.39 -2.76 120.40 128.24 1iao s VAL 119 Ca 0.07 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1iao s VAL 119 Cb -0.23 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1iao s VAL 119 CO -0.04 -0.56 -0.06 0.42 0.00 0.00 0.00 175.10 174.87 1iao s THR 120 N 1.91 1.34 -1.08 3.92 -4.23 -1.20 0.52 115.64 116.81 1iao s THR 120 Ca 0.07 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1iao s THR 120 Cb -0.21 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.39 1iao s THR 120 CO 0.09 -0.43 0.76 0.47 -0.54 0.00 0.00 174.62 174.97 1iao n ASP 121 N -0.42 -5.25 -4.66 3.99 8.00 0.09 -0.92 116.55 117.38 1iao n ASP 121 Ca -0.06 -0.35 -0.27 0.00 0.71 0.00 0.00 54.79 54.81 1iao n ASP 121 Cb 0.63 -3.93 -0.08 0.00 -0.02 0.00 0.00 41.12 37.72 1iao n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1iao s PHE 122 N -3.17 2.85 -0.15 1.24 -0.71 -1.10 -4.40 117.98 112.55 1iao s PHE 122 Ca 0.38 -0.12 -0.10 0.00 -1.04 0.00 0.00 56.93 56.04 1iao s PHE 122 Cb -0.17 -1.41 0.05 0.00 -1.21 0.00 0.00 43.02 40.28 1iao s PHE 122 CO 0.47 0.50 0.37 -0.47 -1.34 0.00 0.00 175.22 174.75 1iao s TYR 123 N -1.61 -0.47 0.93 3.49 5.04 -1.14 -0.56 117.35 123.04 1iao s TYR 123 Ca 0.26 1.08 -0.13 0.00 -2.44 0.00 0.00 57.07 55.84 1iao s TYR 123 Cb -0.10 0.18 0.20 0.00 0.35 0.00 0.00 41.96 42.59 1iao s TYR 123 CO 0.18 -0.26 1.27 -1.25 -1.34 0.00 0.00 175.55 174.15 1iao s PRO 124 N 0.81 0.69 0.55 4.97 0.05 -1.26 0.16 135.00 140.96 1iao s PRO 124 Ca -0.05 -0.65 0.32 0.00 0.05 0.00 0.00 61.00 60.67 1iao s PRO 124 Cb -0.06 -1.94 1.55 0.00 0.05 0.00 0.00 34.50 34.10 1iao s PRO 124 CO -0.06 -2.32 2.08 0.00 0.05 0.00 0.00 177.00 176.75 1iao h ALA 125 N -1.48 1.12 -2.06 8.56 0.00 -1.99 -3.43 119.26 119.98 1iao h ALA 125 Ca -0.42 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 1iao h ALA 125 Cb 1.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1iao h ALA 125 CO 0.35 0.10 1.08 0.21 0.00 0.00 0.00 179.25 180.98 1iao s LYS 126 N -3.97 3.90 -0.06 0.00 2.20 -1.26 -4.95 119.74 115.60 1iao s LYS 126 Ca -0.02 1.65 -0.11 0.00 -0.36 0.00 0.00 55.97 57.13 1iao s LYS 126 Cb 0.12 -3.98 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1iao s LYS 126 CO 0.55 -1.16 0.27 -1.50 -0.36 0.00 0.00 175.35 173.15 1iao s ILE 127 N 4.77 0.03 -0.25 5.43 2.07 -1.26 -4.35 121.20 127.64 1iao s ILE 127 Ca 0.67 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.67 1iao s ILE 127 Cb -0.24 -0.48 0.06 0.00 0.13 0.00 0.00 42.46 41.92 1iao s ILE 127 CO 0.27 -0.15 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.29 1iao s LYS 128 N -0.59 2.23 -0.23 3.50 2.20 -0.50 -4.96 119.74 121.40 1iao s LYS 128 Ca -0.07 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 1iao s LYS 128 Cb -0.04 -2.81 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1iao s LYS 128 CO 0.02 -0.53 -0.11 0.08 -0.36 0.00 0.00 175.35 174.45 1iao s VAL 129 N 1.16 2.51 0.02 4.02 1.01 -1.26 0.76 120.40 128.62 1iao s VAL 129 Ca -0.07 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1iao s VAL 129 Cb -0.19 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1iao s VAL 129 CO -0.06 0.25 -0.24 -0.13 0.00 0.00 0.00 175.10 174.92 1iao s ARG 130 N 1.27 1.75 -0.09 2.72 0.52 0.11 -4.97 118.95 120.25 1iao s ARG 130 Ca -0.00 -0.97 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 1iao s ARG 130 Cb -0.16 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 1iao s ARG 130 CO -0.07 0.48 0.32 -1.58 0.02 0.00 0.00 175.30 174.47 1iao s TRP 131 N -0.70 3.58 0.09 -0.53 0.23 -1.26 -0.33 118.94 120.02 1iao s TRP 131 Ca 0.10 0.74 0.08 0.00 -2.03 0.00 0.00 56.10 54.99 1iao s TRP 131 Cb -0.09 -2.26 -0.03 0.00 0.03 0.00 0.00 33.47 31.11 1iao s TRP 131 CO 0.01 0.47 -0.22 -0.06 0.96 0.00 0.00 176.95 178.11 1iao s PHE 132 N -0.34 1.86 -0.22 -1.98 0.08 -0.18 0.67 117.98 117.88 1iao s PHE 132 Ca 0.19 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1iao s PHE 132 Cb -0.14 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1iao s PHE 132 CO 0.08 0.20 -0.07 0.50 -0.10 0.00 0.00 175.22 175.82 1iao s ARG 133 N -1.77 1.72 -1.48 0.44 3.52 0.33 -1.96 118.95 119.76 1iao s ARG 133 Ca 0.07 -0.89 -0.16 0.00 -0.13 0.00 0.00 55.73 54.63 1iao s ARG 133 Cb -0.10 -2.47 0.14 0.00 -1.56 0.00 0.00 34.95 30.96 1iao s ARG 133 CO 0.04 -0.53 0.60 -1.71 -0.81 0.00 0.00 175.30 172.89 1iao n ASN 134 N 4.70 -2.93 0.00 -2.12 5.15 0.27 -0.07 115.26 120.26 1iao n ASN 134 Ca -0.13 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.10 1iao n ASN 134 Cb 0.45 -2.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 1iao n ASN 134 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iao n GLY 135 N -1.18 2.99 3.73 8.20 0.00 -1.26 -5.00 105.19 112.67 1iao n GLY 135 Ca 0.06 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1iao n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iao s GLN 136 N 0.00 4.59 -0.04 1.61 -2.07 0.90 -4.98 119.66 119.67 1iao s GLN 136 Ca 0.00 1.65 -0.30 0.00 -1.82 0.00 0.00 55.36 54.89 1iao s GLN 136 Cb 0.00 -3.32 -0.04 0.00 -1.09 0.00 0.00 33.01 28.56 1iao s GLN 136 CO 0.00 0.05 1.32 -2.00 -1.32 0.00 0.00 175.29 173.34 1iao s GLU 137 N 0.00 4.30 -0.22 9.60 2.12 -1.26 0.12 118.70 133.36 1iao s GLU 137 Ca 0.50 1.83 -0.15 0.00 0.36 0.00 0.00 54.97 57.51 1iao s GLU 137 Cb -0.28 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1iao s GLU 137 CO 0.32 -0.55 0.37 -2.00 -0.54 0.00 0.00 175.26 172.86 1iao s GLU 138 N 2.53 4.13 0.00 4.30 2.56 0.21 -4.86 118.70 127.56 1iao s GLU 138 Ca 0.60 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.69 1iao s GLU 138 Cb -0.28 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.29 1iao s GLU 138 CO 0.24 -0.09 0.00 0.25 -0.56 0.00 0.00 175.26 175.10 1iao n THR 139 N 4.52 0.00 -3.23 -1.70 -2.24 -1.26 -4.18 114.28 106.19 1iao n THR 139 Ca -0.09 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 1iao n THR 139 Cb 0.51 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1iao n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iao s VAL 140 N -1.90 4.69 0.00 2.28 1.01 -1.26 -3.68 120.40 121.54 1iao s VAL 140 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1iao s VAL 140 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1iao s VAL 140 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1iao n GLY 141 N 1.51 0.94 3.83 4.51 0.00 -1.26 -4.88 105.19 109.84 1iao n GLY 141 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1iao n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iao s VAL 142 N -3.81 4.99 -0.08 1.61 1.01 -1.24 -2.35 120.40 120.52 1iao s VAL 142 Ca 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1iao s VAL 142 Cb 0.00 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1iao s VAL 142 CO 0.00 0.57 0.18 -0.44 0.00 0.00 0.00 175.10 175.41 1iao s SER 143 N -1.05 0.13 -0.03 3.32 0.01 -0.51 -4.98 113.70 110.60 1iao s SER 143 Ca 0.25 0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.91 1iao s SER 143 Cb -0.17 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 1iao s SER 143 CO 0.14 -0.19 -0.08 -0.55 0.41 0.00 0.00 173.24 172.98 1iao s SER 144 N 1.61 4.55 0.97 2.44 0.15 -1.26 0.81 113.70 122.98 1iao s SER 144 Ca -0.05 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.34 1iao s SER 144 Cb -0.12 -1.07 0.18 0.00 -1.71 0.00 0.00 66.02 63.30 1iao s SER 144 CO -0.07 0.32 1.20 0.42 1.20 0.00 0.00 173.24 176.30 1iao s THR 145 N -0.90 1.92 0.90 6.45 -4.23 -0.56 -5.02 115.64 114.20 1iao s THR 145 Ca 0.15 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1iao s THR 145 Cb -0.11 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 71.10 1iao s THR 145 CO 0.05 0.00 1.25 -1.58 -0.54 0.00 0.00 174.62 173.79 1iao s GLN 146 N -5.53 1.01 0.30 3.99 2.00 -1.26 -4.84 119.66 115.32 1iao s GLN 146 Ca 0.68 -0.44 -0.29 0.00 -2.00 0.00 0.00 55.36 53.31 1iao s GLN 146 Cb -0.10 -1.94 -0.10 0.00 0.80 0.00 0.00 33.01 31.67 1iao s GLN 146 CO 0.53 -2.13 1.18 -0.51 -0.50 0.00 0.00 175.29 173.86 1iao s LEU 147 N -5.72 4.50 -0.29 3.68 1.43 -1.26 -4.80 118.68 116.22 1iao s LEU 147 Ca 0.71 2.43 -0.03 0.00 -1.03 0.00 0.00 54.13 56.21 1iao s LEU 147 Cb -0.05 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1iao s LEU 147 CO 0.51 -0.30 0.01 -0.63 0.23 0.00 0.00 176.35 176.17 1iao s ILE 148 N -1.13 3.23 -0.45 -0.59 1.01 -0.98 -5.00 121.20 117.30 1iao s ILE 148 Ca 0.46 -1.11 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1iao s ILE 148 Cb -0.35 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1iao s ILE 148 CO 0.46 0.01 0.78 -0.60 0.00 0.00 0.00 174.94 175.59 1iao s ARG 149 N 1.34 3.42 0.32 2.79 3.52 -1.26 -1.46 118.95 127.62 1iao s ARG 149 Ca -0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1iao s ARG 149 Cb -0.18 -3.93 0.55 0.00 -1.56 0.00 0.00 34.95 29.82 1iao s ARG 149 CO -0.01 -1.11 1.83 -0.91 -0.81 0.00 0.00 175.30 174.29 1iao h ASN 150 N 8.96 0.47 0.00 -2.12 2.35 -1.34 -3.47 115.58 120.44 1iao h ASN 150 Ca -0.25 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1iao h ASN 150 Cb 1.09 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1iao h ASN 150 CO 0.96 0.61 0.00 0.61 -1.65 0.00 0.00 177.43 177.96 1iao n GLY 151 N -0.72 0.43 1.09 2.83 0.00 -1.25 -4.92 105.19 102.65 1iao n GLY 151 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1iao n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iao n ASP 152 N 0.00 2.72 -0.70 1.61 5.68 -1.26 -4.90 116.55 119.70 1iao n ASP 152 Ca 0.00 -3.62 -0.06 0.00 -0.50 0.00 0.00 54.79 50.60 1iao n ASP 152 Cb 0.00 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 39.36 1iao n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1iao n TRP 153 N -1.03 -0.27 -3.93 2.11 7.02 -1.26 -5.04 117.44 115.05 1iao n TRP 153 Ca 0.31 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.68 1iao n TRP 153 Cb 1.00 -1.85 -0.13 0.00 -2.42 0.00 0.00 31.31 27.91 1iao n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1iao s THR 154 N -2.31 0.07 0.54 -0.99 -4.23 -1.26 -4.56 115.64 102.90 1iao s THR 154 Ca 0.00 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1iao s THR 154 Cb 0.00 -0.14 0.01 0.00 1.34 0.00 0.00 72.50 73.71 1iao s THR 154 CO 0.00 -0.22 0.09 -0.36 -0.54 0.00 0.00 174.62 173.59 1iao s PHE 155 N -0.67 1.69 0.18 3.99 0.08 0.28 -0.86 117.98 122.67 1iao s PHE 155 Ca -0.07 -0.98 -0.19 0.00 0.12 0.00 0.00 56.93 55.81 1iao s PHE 155 Cb -0.05 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1iao s PHE 155 CO -0.00 0.03 0.55 1.14 -0.10 0.00 0.00 175.22 176.84 1iao s GLN 156 N -4.00 1.35 -0.25 0.44 -2.07 -0.53 -0.73 119.66 113.86 1iao s GLN 156 Ca 0.08 -0.73 -0.21 0.00 -1.82 0.00 0.00 55.36 52.68 1iao s GLN 156 Cb -0.00 0.55 0.07 0.00 -1.09 0.00 0.00 33.01 32.53 1iao s GLN 156 CO 0.05 -0.58 0.66 0.54 -1.32 0.00 0.00 175.29 174.64 1iao s VAL 157 N -3.83 -0.00 -0.11 3.63 0.11 0.18 -2.33 120.40 118.06 1iao s VAL 157 Ca 0.06 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1iao s VAL 157 Cb -0.01 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1iao s VAL 157 CO -0.06 0.00 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.77 1iao s LEU 158 N 0.64 2.46 -0.20 2.54 2.01 -1.26 -1.26 118.68 123.62 1iao s LEU 158 Ca -0.02 -0.41 -0.00 0.00 0.01 0.00 0.00 54.13 53.71 1iao s LEU 158 Cb -0.05 -1.52 0.02 0.00 0.01 0.00 0.00 46.19 44.65 1iao s LEU 158 CO -0.04 0.18 -0.15 -0.69 1.01 0.00 0.00 176.35 176.66 1iao s VAL 159 N 0.24 2.39 0.32 -1.59 1.01 -0.62 -1.50 120.40 120.65 1iao s VAL 159 Ca -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1iao s VAL 159 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1iao s VAL 159 CO 0.06 0.46 0.56 -0.04 0.00 0.00 0.00 175.10 176.14 1iao s MET 160 N 1.32 3.56 -0.16 2.72 -1.94 0.24 -1.55 119.30 123.49 1iao s MET 160 Ca 0.04 -0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 53.84 1iao s MET 160 Cb -0.14 -2.64 0.08 0.00 2.01 0.00 0.00 34.83 34.14 1iao s MET 160 CO -0.10 0.17 0.26 -1.17 -0.01 0.00 0.00 175.02 174.17 1iao s LEU 161 N -3.93 -0.28 -0.38 -0.03 2.96 0.08 -1.42 118.68 115.69 1iao s LEU 161 Ca 0.42 0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 54.47 1iao s LEU 161 Cb -0.10 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.24 1iao s LEU 161 CO 0.34 -0.27 0.63 -1.61 -1.32 0.00 0.00 176.35 174.12 1iao s GLU 162 N 2.40 3.55 0.08 1.98 2.02 -0.99 -0.57 118.70 127.17 1iao s GLU 162 Ca 0.04 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 55.00 1iao s GLU 162 Cb -0.13 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 1iao s GLU 162 CO -0.10 -0.81 -0.13 0.00 0.02 0.00 0.00 175.26 174.23 1iao s MET 163 N 2.72 2.11 -0.54 1.61 0.23 0.19 -4.86 119.30 120.76 1iao s MET 163 Ca 0.23 -1.00 0.04 0.00 -1.03 0.00 0.00 55.69 53.93 1iao s MET 163 Cb -0.14 -2.27 0.17 0.00 -1.53 0.00 0.00 34.83 31.06 1iao s MET 163 CO 0.16 0.52 0.40 0.95 -2.03 0.00 0.00 175.02 175.02 1iao s THR 164 N -1.10 1.49 0.76 3.16 -4.23 -1.26 -2.22 115.64 112.24 1iao s THR 164 Ca 0.18 -3.32 -0.12 0.00 -1.18 0.00 0.00 61.69 57.26 1iao s THR 164 Cb -0.11 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.78 1iao s THR 164 CO 0.10 -1.11 1.11 -2.16 -0.54 0.00 0.00 174.62 172.02 1iao s PRO 165 N -0.55 2.24 -0.36 3.99 0.05 -1.26 -5.13 135.00 133.99 1iao s PRO 165 Ca 0.28 1.30 -0.01 0.00 0.05 0.00 0.00 61.00 62.62 1iao s PRO 165 Cb -0.02 -1.89 0.19 0.00 0.05 0.00 0.00 34.50 32.83 1iao s PRO 165 CO -0.17 -1.67 0.83 -1.58 0.05 0.00 0.00 177.00 174.46 1iao s HIS 166 N -2.69 -1.08 0.00 0.56 2.46 -1.26 -5.15 115.29 108.13 1iao s HIS 166 Ca 0.64 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.41 1iao s HIS 166 Cb -0.19 0.20 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 1iao s HIS 166 CO 0.52 -0.72 0.00 0.94 -2.47 0.00 0.00 174.74 173.01 1iao n GLN 167 N 4.26 0.00 -0.36 2.88 -0.06 -1.26 -4.46 117.38 118.39 1iao n GLN 167 Ca 0.08 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.03 1iao n GLN 167 Cb 0.59 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.85 1iao n GLN 167 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iao n GLY 168 N 0.00 2.57 3.68 1.69 0.00 -1.26 -4.27 105.19 107.59 1iao n GLY 168 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1iao n GLY 168 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iao n GLU 169 N 0.04 1.53 -4.83 1.61 4.07 -1.26 -4.85 120.64 116.94 1iao n GLU 169 Ca 0.16 0.56 -0.31 0.00 -0.06 0.00 0.00 57.16 57.51 1iao n GLU 169 Cb 0.78 -2.33 -0.14 0.00 -0.06 0.00 0.00 31.44 29.69 1iao n GLU 169 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1iao s VAL 170 N -1.31 2.45 -0.27 6.31 1.01 -1.26 -3.12 120.40 124.21 1iao s VAL 170 Ca 0.68 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1iao s VAL 170 Cb -0.47 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.00 1iao s VAL 170 CO 0.53 0.38 -0.02 -0.31 0.00 0.00 0.00 175.10 175.67 1iao s TYR 171 N -0.84 2.79 -0.22 5.22 2.02 0.64 -0.57 117.35 126.40 1iao s TYR 171 Ca 0.13 -2.14 -0.07 0.00 -0.37 0.00 0.00 57.07 54.62 1iao s TYR 171 Cb -0.10 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1iao s TYR 171 CO 0.03 -0.85 0.05 0.99 -1.57 0.00 0.00 175.55 174.20 1iao s THR 172 N 1.25 4.30 -0.65 -0.71 2.01 -0.83 -2.06 115.64 118.95 1iao s THR 172 Ca -0.01 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 1iao s THR 172 Cb -0.19 -2.97 0.11 0.00 0.01 0.00 0.00 72.50 69.46 1iao s THR 172 CO -0.09 0.39 0.78 0.00 -0.69 0.00 0.00 174.62 175.02 1iao s HIS 174 N 2.65 3.73 0.00 0.00 5.04 0.55 -2.78 115.29 124.48 1iao s HIS 174 Ca 0.15 1.74 0.03 0.00 -1.54 0.00 0.00 55.06 55.45 1iao s HIS 174 Cb -0.20 -3.09 -0.01 0.00 0.04 0.00 0.00 32.58 29.31 1iao s HIS 174 CO 0.04 0.08 -0.11 0.08 -2.34 0.00 0.00 174.74 172.49 1iao s VAL 175 N 0.56 0.86 -0.23 0.89 1.01 -0.83 0.05 120.40 122.71 1iao s VAL 175 Ca 0.50 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1iao s VAL 175 Cb -0.22 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.49 1iao s VAL 175 CO 0.29 0.17 0.08 -1.61 0.00 0.00 0.00 175.10 174.02 1iao s GLU 176 N -0.46 0.44 -0.03 2.72 2.02 0.23 -2.75 118.70 120.86 1iao s GLU 176 Ca 0.03 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.59 1iao s GLU 176 Cb -0.05 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 1iao s GLU 176 CO -0.00 -0.80 -0.23 -1.58 0.02 0.00 0.00 175.26 172.68 1iao s HIS 177 N 1.93 2.09 0.51 1.61 2.46 -1.26 -1.41 115.29 121.22 1iao s HIS 177 Ca 0.04 -0.45 0.32 0.00 0.47 0.00 0.00 55.06 55.43 1iao s HIS 177 Cb -0.17 -1.36 1.44 0.00 -0.13 0.00 0.00 32.58 32.37 1iao s HIS 177 CO -0.18 -0.08 1.81 -1.00 -2.47 0.00 0.00 174.74 172.83 1iao h PRO 178 N 5.71 0.08 0.00 2.88 0.13 -1.94 0.45 132.00 139.31 1iao h PRO 178 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1iao h PRO 178 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1iao h PRO 178 CO 0.47 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 178.96 1iao h SER 179 N 0.09 0.00 -3.36 1.44 4.64 -1.87 -3.44 113.55 111.03 1iao h SER 179 Ca 0.55 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.32 1iao h SER 179 Cb 2.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.06 1iao h SER 179 CO -0.07 0.00 -0.11 -0.76 -0.87 0.00 0.00 176.83 175.02 1iao s LEU 180 N -5.93 4.26 -0.08 5.97 1.02 0.16 -4.87 118.68 119.21 1iao s LEU 180 Ca 0.02 0.99 -0.06 0.00 0.02 0.00 0.00 54.13 55.10 1iao s LEU 180 Cb 0.09 -3.45 -0.04 0.00 0.02 0.00 0.00 46.19 42.82 1iao s LEU 180 CO 0.53 0.02 0.25 0.50 0.02 0.00 0.00 176.35 177.67 1iao h LYS 181 N 3.09 -0.20 -5.75 1.70 1.63 -1.86 -3.46 116.57 111.72 1iao h LYS 181 Ca -0.48 0.01 -0.55 0.00 -0.85 0.00 0.00 60.65 58.79 1iao h LYS 181 Cb 1.18 0.04 -0.28 0.00 -0.60 0.00 0.00 32.23 32.58 1iao h LYS 181 CO 0.67 -0.12 -0.83 -1.12 -3.45 0.00 0.00 179.45 174.60 1iao s SER 182 N -5.33 2.13 -0.41 4.20 0.01 -1.26 -5.10 113.70 107.94 1iao s SER 182 Ca -0.03 -0.39 -0.41 0.00 1.31 0.00 0.00 55.95 56.43 1iao s SER 182 Cb 0.00 -0.21 -0.18 0.00 0.21 0.00 0.00 66.02 65.85 1iao s SER 182 CO 0.10 0.18 1.39 -0.81 0.41 0.00 0.00 173.24 174.51 1iao n PRO 183 N 2.35 0.00 -2.81 12.44 -0.04 -1.26 -4.96 135.00 140.71 1iao n PRO 183 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1iao n PRO 183 Cb 0.54 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1iao n PRO 183 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1iao s ILE 184 N 2.46 4.37 -0.08 0.52 1.10 -1.11 -4.90 121.20 123.56 1iao s ILE 184 Ca 0.92 1.48 -0.08 0.00 -0.51 0.00 0.00 60.65 62.46 1iao s ILE 184 Cb -1.32 -3.60 0.02 0.00 0.15 0.00 0.00 42.46 37.72 1iao s ILE 184 CO 0.71 -0.32 0.22 0.28 -2.11 0.00 0.00 174.94 173.72 1iao s THR 185 N -2.17 0.01 0.06 4.00 -1.32 -1.26 -1.97 115.64 112.98 1iao s THR 185 Ca 0.62 -0.05 0.08 0.00 -1.21 0.00 0.00 61.69 61.14 1iao s THR 185 Cb -0.09 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1iao s THR 185 CO 0.13 -0.02 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.63 1iao s VAL 186 N 0.01 2.66 0.19 5.08 1.01 -1.12 -4.95 120.40 123.27 1iao s VAL 186 Ca -0.01 -1.31 0.10 0.00 0.00 0.00 0.00 61.98 60.76 1iao s VAL 186 Cb -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1iao s VAL 186 CO 0.00 0.29 -0.17 -1.61 0.00 0.00 0.00 175.10 173.61 1iao s GLU 187 N -1.56 1.78 -0.14 2.72 8.01 -1.26 -1.33 118.70 126.92 1iao s GLU 187 Ca 0.15 -1.40 -0.23 0.00 0.01 0.00 0.00 54.97 53.49 1iao s GLU 187 Cb -0.10 -2.00 0.06 0.00 -4.31 0.00 0.00 34.13 27.77 1iao s GLU 187 CO 0.06 0.42 0.59 -0.46 0.01 0.00 0.00 175.26 175.87 1iao s TRP 188 N -1.69 -0.59 0.03 1.61 -0.11 -0.87 -4.98 118.94 112.34 1iao s TRP 188 Ca 0.23 1.26 -0.01 0.00 1.22 0.00 0.00 56.10 58.80 1iao s TRP 188 Cb -0.08 0.27 -0.03 0.00 -1.50 0.00 0.00 33.47 32.13 1iao s TRP 188 CO 0.12 -0.43 -0.02 -1.54 -4.62 0.00 0.00 176.95 170.47 1iao s SER 1 N -0.43 0.34 0.00 5.86 1.04 -1.26 -0.26 113.70 118.98 1iao s SER 1 Ca -0.06 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1iao s SER 1 Cb -0.03 0.15 0.15 0.00 0.10 0.00 0.00 66.02 66.39 1iao s SER 1 CO 0.04 -0.44 0.64 -1.20 0.98 0.00 0.00 173.24 173.26