#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iaq s PRO 4 N 0.00 4.15 -0.08 0.38 0.04 -1.26 -4.79 135.00 133.43 2iaq s PRO 4 Ca 0.00 2.52 0.05 0.00 0.04 0.00 0.00 61.00 63.61 2iaq s PRO 4 Cb 0.00 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 2iaq s PRO 4 CO 0.00 -0.56 -0.23 0.08 0.04 0.00 0.00 177.00 176.34 2iaq s VAL 5 N -0.37 1.92 0.17 -0.36 1.01 -1.26 -1.50 120.40 120.02 2iaq s VAL 5 Ca 0.59 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2iaq s VAL 5 Cb -0.46 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2iaq s VAL 5 CO 0.52 0.53 0.05 0.27 0.00 0.00 0.00 175.10 176.47 2iaq s ILE 6 N 0.19 3.98 -0.53 2.22 -4.36 -0.62 -4.97 121.20 117.10 2iaq s ILE 6 Ca -0.13 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 2iaq s ILE 6 Cb -0.16 -3.02 0.20 0.00 1.25 0.00 0.00 42.46 40.73 2iaq s ILE 6 CO 0.06 -0.12 0.50 -0.62 0.24 0.00 0.00 174.94 175.00 2iaq n GLU 7 N -0.23 1.19 -1.38 0.37 1.02 -1.26 -1.49 120.64 118.85 2iaq n GLU 7 Ca -0.09 -3.83 -0.31 0.00 -0.02 0.00 0.00 57.16 52.91 2iaq n GLU 7 Cb 0.55 -1.85 0.08 0.00 -0.02 0.00 0.00 31.44 30.19 2iaq n GLU 7 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2iaq s PRO 8 N -1.10 2.46 -0.12 3.49 0.04 -1.26 -4.96 135.00 133.55 2iaq s PRO 8 Ca 0.32 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 2iaq s PRO 8 Cb 0.06 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2iaq s PRO 8 CO -0.14 -1.48 1.38 -1.17 0.04 0.00 0.00 177.00 175.63 2iaq s LEU 9 N -5.72 4.23 -0.20 -3.56 2.96 -1.26 -5.00 118.68 110.13 2iaq s LEU 9 Ca 0.61 1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 56.24 2iaq s LEU 9 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2iaq s LEU 9 CO 0.54 -0.80 0.36 -0.36 -1.32 0.00 0.00 176.35 174.77 2iaq s PHE 10 N 3.53 3.38 -0.15 5.38 0.08 -1.26 -4.42 117.98 124.52 2iaq s PHE 10 Ca 0.60 0.58 -0.04 0.00 0.12 0.00 0.00 56.93 58.19 2iaq s PHE 10 Cb -0.26 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 2iaq s PHE 10 CO 0.20 0.04 -0.03 0.99 -0.10 0.00 0.00 175.22 176.31 2iaq s THR 11 N 1.15 3.92 0.22 0.64 2.01 0.68 -4.90 115.64 119.37 2iaq s THR 11 Ca 0.18 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 2iaq s THR 11 Cb -0.14 -2.72 -0.11 0.00 0.01 0.00 0.00 72.50 69.55 2iaq s THR 11 CO 0.07 0.50 1.56 -0.75 -0.69 0.00 0.00 174.62 175.31 2iaq s LYS 12 N 0.28 4.20 -0.13 4.92 2.47 -1.26 -1.06 119.74 129.16 2iaq s LYS 12 Ca -0.03 2.42 -0.10 0.00 -1.56 0.00 0.00 55.97 56.70 2iaq s LYS 12 Cb -0.14 -3.10 -0.06 0.00 -1.46 0.00 0.00 37.83 33.07 2iaq s LYS 12 CO 0.03 -0.58 -0.23 0.28 0.16 0.00 0.00 175.35 175.01 2iaq n VAL 13 N 3.13 1.21 -3.58 4.02 0.31 0.21 -4.90 118.33 118.74 2iaq n VAL 13 Ca 0.11 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 2iaq n VAL 13 Cb 0.38 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 2iaq n VAL 13 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2iaq s THR 14 N -2.47 0.05 0.35 2.52 -1.32 -1.10 -4.29 115.64 109.39 2iaq s THR 14 Ca -0.22 -0.43 0.04 0.00 -1.21 0.00 0.00 61.69 59.87 2iaq s THR 14 Cb 0.06 -1.13 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 2iaq s THR 14 CO 0.30 -0.24 0.06 -1.61 -2.21 0.00 0.00 174.62 170.92 2iaq s GLU 15 N -3.79 1.74 -1.10 7.08 2.02 -1.26 -1.03 118.70 122.36 2iaq s GLU 15 Ca 0.02 -2.00 -0.17 0.00 0.02 0.00 0.00 54.97 52.85 2iaq s GLU 15 Cb 0.01 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 2iaq s GLU 15 CO -0.12 -0.23 0.83 -0.25 0.02 0.00 0.00 175.26 175.50 2iaq n ASP 16 N -0.83 -5.75 -3.90 -0.19 10.43 -1.02 -4.95 116.55 110.34 2iaq n ASP 16 Ca -0.04 -0.92 -0.30 0.00 2.57 0.00 0.00 54.79 56.10 2iaq n ASP 16 Cb 0.66 -3.89 -0.15 0.00 1.84 0.00 0.00 41.12 39.59 2iaq n ASP 16 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2iaq s ILE 17 N -3.43 1.66 -0.35 0.53 1.01 -0.16 -5.05 121.20 115.41 2iaq s ILE 17 Ca 0.46 -1.90 -0.36 0.00 0.00 0.00 0.00 60.65 58.85 2iaq s ILE 17 Cb -0.14 -2.22 -0.12 0.00 0.01 0.00 0.00 42.46 39.99 2iaq s ILE 17 CO 0.83 -0.61 2.17 -2.65 0.00 0.00 0.00 174.94 174.68 2iaq n PRO 18 N 4.52 1.02 -2.26 2.79 -0.02 -1.26 -0.98 135.00 138.81 2iaq n PRO 18 Ca 0.01 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 2iaq n PRO 18 Cb 0.42 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2iaq n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iaq n GLY 19 N 6.51 -0.13 2.16 -1.23 0.00 -1.26 -2.86 105.19 108.38 2iaq n GLY 19 Ca 0.41 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2iaq n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iaq n ALA 20 N -1.66 -0.64 -4.00 4.61 0.00 -0.15 -4.36 120.51 114.30 2iaq n ALA 20 Ca -0.14 0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 2iaq n ALA 20 Cb 0.61 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2iaq n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2iaq n GLU 21 N 2.71 0.58 -4.16 0.00 -0.58 0.03 -4.47 120.64 114.75 2iaq n GLU 21 Ca 0.21 -2.70 -0.29 0.00 -0.42 0.00 0.00 57.16 53.96 2iaq n GLU 21 Cb -0.03 2.49 -0.06 0.00 -0.57 0.00 0.00 31.44 33.26 2iaq n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2iaq n GLY 22 N -0.54 -0.19 3.75 0.62 0.00 -1.03 -0.69 105.19 107.11 2iaq n GLY 22 Ca 0.02 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2iaq n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iaq s PRO 23 N -6.99 4.14 -0.02 1.61 0.04 -1.26 -4.28 135.00 128.24 2iaq s PRO 23 Ca 0.07 2.55 -0.27 0.00 0.04 0.00 0.00 61.00 63.39 2iaq s PRO 23 Cb -0.04 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.53 2iaq s PRO 23 CO 0.95 -0.61 0.59 0.54 0.04 0.00 0.00 177.00 178.50 2iaq s VAL 24 N 0.01 0.01 -0.07 -0.36 0.11 -0.54 -4.64 120.40 114.92 2iaq s VAL 24 Ca 0.63 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2iaq s VAL 24 Cb -0.47 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 2iaq s VAL 24 CO 0.47 -0.07 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.67 2iaq s PHE 25 N -1.48 2.72 0.11 1.54 0.40 -1.26 -0.38 117.98 119.63 2iaq s PHE 25 Ca -0.10 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2iaq s PHE 25 Cb -0.01 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.86 2iaq s PHE 25 CO 0.06 0.08 0.15 -0.40 0.70 0.00 0.00 175.22 175.82 2iaq n ASP 26 N 2.61 0.19 0.29 1.36 5.68 -0.61 -4.63 116.55 121.44 2iaq n ASP 26 Ca -0.17 -1.16 0.19 0.00 -0.50 0.00 0.00 54.79 53.14 2iaq n ASP 26 Cb 0.52 -0.10 0.84 0.00 -1.14 0.00 0.00 41.12 41.24 2iaq n ASP 26 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2iaq h LYS 27 N 0.00 0.00 -0.42 0.11 1.57 -1.89 -2.31 116.57 113.62 2iaq h LYS 27 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2iaq h LYS 27 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2iaq h LYS 27 CO 0.05 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.02 2iaq n ASN 28 N -3.04 3.46 0.00 0.86 3.02 -1.26 -4.95 115.26 113.35 2iaq n ASN 28 Ca -0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2iaq n ASN 28 Cb 0.23 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2iaq n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iaq n GLY 29 N 1.52 0.72 3.78 7.41 0.00 -0.87 -5.04 105.19 112.71 2iaq n GLY 29 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2iaq n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iaq s ASP 30 N -2.38 6.55 -0.13 1.61 1.01 -1.26 -4.78 116.67 117.30 2iaq s ASP 30 Ca 0.00 2.10 -0.05 0.00 0.71 0.00 0.00 52.55 55.31 2iaq s ASP 30 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2iaq s ASP 30 CO 0.00 -0.64 0.04 0.12 0.21 0.00 0.00 175.17 174.90 2iaq s PHE 31 N -1.67 3.26 0.10 4.23 5.99 -1.26 -1.57 117.98 127.06 2iaq s PHE 31 Ca 0.61 0.18 0.06 0.00 0.00 0.00 0.00 56.93 57.78 2iaq s PHE 31 Cb -0.23 -1.91 -0.03 0.00 0.00 0.00 0.00 43.02 40.84 2iaq s PHE 31 CO 0.28 0.39 -0.15 0.71 -0.00 0.00 0.00 175.22 176.45 2iaq s TYR 32 N -0.45 1.39 0.01 10.12 1.51 0.49 -0.65 117.35 129.78 2iaq s TYR 32 Ca 0.09 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2iaq s TYR 32 Cb -0.12 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2iaq s TYR 32 CO 0.02 0.12 0.01 0.42 -1.11 0.00 0.00 175.55 175.01 2iaq s ILE 33 N -1.62 0.08 0.02 2.71 -1.09 -0.23 -1.47 121.20 119.60 2iaq s ILE 33 Ca 0.04 -0.70 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 2iaq s ILE 33 Cb -0.08 -0.25 -0.03 0.00 -1.58 0.00 0.00 42.46 40.52 2iaq s ILE 33 CO 0.03 -0.38 -0.08 0.68 -1.23 0.00 0.00 174.94 173.95 2iaq s VAL 34 N -1.16 3.52 -0.76 2.92 -7.23 0.14 -0.26 120.40 117.57 2iaq s VAL 34 Ca -0.13 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2iaq s VAL 34 Cb -0.08 -2.54 0.18 0.00 0.56 0.00 0.00 36.38 34.51 2iaq s VAL 34 CO -0.00 0.35 0.57 0.00 -0.31 0.00 0.00 175.10 175.71 2iaq s ALA 35 N -1.02 3.93 0.31 1.32 0.00 0.10 -0.79 121.76 125.62 2iaq s ALA 35 Ca 0.17 -3.81 0.02 0.00 0.00 0.00 0.00 51.96 48.34 2iaq s ALA 35 Cb -0.11 -2.39 0.51 0.00 0.00 0.00 0.00 23.12 21.13 2iaq s ALA 35 CO 0.08 -2.11 1.86 -1.00 0.00 0.00 0.00 175.76 174.59 2iaq h PRO 36 N 5.67 0.69 -0.05 0.00 0.13 -1.59 -1.66 132.00 135.19 2iaq h PRO 36 Ca 0.14 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2iaq h PRO 36 Cb 0.78 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2iaq h PRO 36 CO 0.76 0.64 0.00 0.39 -0.23 0.00 0.00 178.00 179.56 2iaq n GLU 37 N -4.29 1.15 -2.41 0.86 1.02 -1.14 -4.33 120.64 111.49 2iaq n GLU 37 Ca 0.03 -0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 2iaq n GLU 37 Cb 0.22 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2iaq n GLU 37 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2iaq s VAL 38 N -1.93 4.09 0.04 2.62 1.01 -1.21 -4.93 120.40 120.09 2iaq s VAL 38 Ca 0.16 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2iaq s VAL 38 Cb 0.08 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2iaq s VAL 38 CO 0.13 0.05 -0.07 -1.83 0.00 0.00 0.00 175.10 173.38 2iaq s GLU 39 N 1.70 0.50 -0.17 2.72 -1.05 -1.26 -1.11 118.70 120.02 2iaq s GLU 39 Ca 0.58 -0.78 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 2iaq s GLU 39 Cb -0.28 -0.18 0.02 0.00 -0.44 0.00 0.00 34.13 33.25 2iaq s GLU 39 CO 0.26 0.02 -0.20 0.08 0.95 0.00 0.00 175.26 176.37 2iaq s VAL 40 N -1.61 2.04 -1.47 1.83 1.01 0.01 -4.74 120.40 117.47 2iaq s VAL 40 Ca -0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2iaq s VAL 40 Cb -0.09 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2iaq s VAL 40 CO -0.01 0.54 1.06 0.59 0.00 0.00 0.00 175.10 177.29 2iaq n ASN 41 N 4.58 -5.41 0.00 3.32 5.03 -1.26 -1.11 115.26 120.41 2iaq n ASN 41 Ca -0.21 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.56 2iaq n ASN 41 Cb 0.50 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.93 2iaq n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2iaq n GLY 42 N -1.82 1.24 3.82 7.41 0.00 -1.26 -5.02 105.19 109.56 2iaq n GLY 42 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2iaq n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iaq s LYS 43 N -0.07 3.13 0.28 1.61 3.01 -0.27 -5.07 119.74 122.35 2iaq s LYS 43 Ca 0.00 -0.52 -0.30 0.00 -1.01 0.00 0.00 55.97 54.14 2iaq s LYS 43 Cb 0.00 -2.88 -0.11 0.00 -1.01 0.00 0.00 37.83 33.82 2iaq s LYS 43 CO 0.00 0.62 1.61 -2.14 0.51 0.00 0.00 175.35 175.95 2iaq s PRO 44 N -2.12 4.12 -0.37 -1.68 0.02 -1.26 -0.81 135.00 132.90 2iaq s PRO 44 Ca 0.28 2.58 0.12 0.00 0.02 0.00 0.00 61.00 64.00 2iaq s PRO 44 Cb -0.12 -3.03 0.40 0.00 0.02 0.00 0.00 34.50 31.77 2iaq s PRO 44 CO 0.20 -0.65 1.11 0.00 -0.33 0.00 0.00 177.00 177.33 2iaq n ALA 45 N 2.46 1.92 -1.54 -1.55 0.00 -0.26 -3.72 120.51 117.81 2iaq n ALA 45 Ca 0.09 -2.23 -0.36 0.00 0.00 0.00 0.00 53.44 50.94 2iaq n ALA 45 Cb 0.37 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.91 2iaq n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iaq n GLY 46 N -0.19 0.08 3.29 0.00 0.00 -0.07 -4.51 105.19 103.79 2iaq n GLY 46 Ca 0.06 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2iaq n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iaq s GLU 47 N -3.34 1.17 -0.17 1.61 2.02 -0.63 -3.98 118.70 115.38 2iaq s GLU 47 Ca 0.78 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 54.41 2iaq s GLU 47 Cb -0.37 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 32.82 2iaq s GLU 47 CO 0.45 0.20 -0.19 0.42 0.02 0.00 0.00 175.26 176.16 2iaq s ILE 48 N -2.35 1.93 0.14 -1.63 1.01 0.67 0.01 121.20 120.99 2iaq s ILE 48 Ca 0.14 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 60.03 2iaq s ILE 48 Cb -0.04 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2iaq s ILE 48 CO 0.05 0.52 -0.25 -0.76 0.00 0.00 0.00 174.94 174.50 2iaq s LEU 49 N 1.26 2.35 -0.13 2.97 1.02 0.64 -1.08 118.68 125.72 2iaq s LEU 49 Ca 0.03 -0.78 -0.05 0.00 0.02 0.00 0.00 54.13 53.35 2iaq s LEU 49 Cb -0.13 -1.13 -0.04 0.00 0.02 0.00 0.00 46.19 44.91 2iaq s LEU 49 CO -0.11 0.13 0.06 -0.60 0.02 0.00 0.00 176.35 175.85 2iaq s ARG 50 N -2.25 3.47 -0.14 1.70 3.52 0.98 -1.07 118.95 125.16 2iaq s ARG 50 Ca 0.15 -0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2iaq s ARG 50 Cb -0.09 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2iaq s ARG 50 CO 0.07 0.57 -0.13 0.42 -0.81 0.00 0.00 175.30 175.42 2iaq s ILE 51 N -0.47 2.98 -0.53 4.11 -1.09 0.18 -1.45 121.20 124.93 2iaq s ILE 51 Ca 0.10 -0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 57.57 2iaq s ILE 51 Cb -0.12 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2iaq s ILE 51 CO 0.02 0.51 1.10 -0.62 -1.23 0.00 0.00 174.94 174.72 2iaq s ASP 52 N 0.54 6.49 0.62 3.58 -1.08 -0.79 -4.26 116.67 121.77 2iaq s ASP 52 Ca -0.09 0.14 0.39 0.00 -0.52 0.00 0.00 52.55 52.48 2iaq s ASP 52 Cb -0.16 -2.52 2.08 0.00 -1.46 0.00 0.00 42.92 40.86 2iaq s ASP 52 CO 0.04 -1.31 2.26 -0.07 0.52 0.00 0.00 175.17 176.61 2iaq h LEU 53 N 11.38 0.00 0.00 -1.34 3.38 -1.95 0.65 115.31 127.43 2iaq h LEU 53 Ca -0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 2iaq h LEU 53 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2iaq h LEU 53 CO 1.13 0.01 -1.13 0.11 0.09 0.00 0.00 178.44 178.66 2iaq h LYS 54 N 0.00 0.00 0.00 1.13 1.57 -1.97 -3.39 116.57 113.91 2iaq h LYS 54 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2iaq h LYS 54 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2iaq h LYS 54 CO 0.00 0.66 -1.27 0.25 -0.57 0.00 0.00 179.45 178.53 2iaq n THR 55 N -3.18 0.15 -0.67 -0.16 -2.24 -1.06 -5.01 114.28 102.11 2iaq n THR 55 Ca -0.05 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2iaq n THR 55 Cb 0.91 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2iaq n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iaq n GLY 56 N 2.45 0.80 3.76 3.38 0.00 0.22 -5.02 105.19 110.78 2iaq n GLY 56 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2iaq n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iaq s LYS 57 N -0.33 4.39 -0.11 1.61 1.02 -1.24 -4.70 119.74 120.38 2iaq s LYS 57 Ca 0.00 2.15 -0.05 0.00 0.02 0.00 0.00 55.97 58.08 2iaq s LYS 57 Cb 0.00 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2iaq s LYS 57 CO 0.00 -0.15 0.09 0.15 -0.92 0.00 0.00 175.35 174.52 2iaq s LYS 58 N -1.47 3.30 -0.12 1.68 1.02 -1.26 -1.89 119.74 121.00 2iaq s LYS 58 Ca 0.50 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.25 2iaq s LYS 58 Cb -0.38 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2iaq s LYS 58 CO 0.49 0.75 -0.00 0.99 -0.92 0.00 0.00 175.35 176.65 2iaq s THR 59 N -0.96 0.59 -0.52 2.17 2.01 -0.53 -4.99 115.64 113.41 2iaq s THR 59 Ca 0.14 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 2iaq s THR 59 Cb -0.12 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.58 2iaq s THR 59 CO 0.03 0.12 1.18 -0.69 -0.69 0.00 0.00 174.62 174.58 2iaq s VAL 60 N 1.86 4.10 -0.17 3.82 1.01 -1.26 -0.01 120.40 129.75 2iaq s VAL 60 Ca 0.03 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.26 2iaq s VAL 60 Cb -0.14 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 2iaq s VAL 60 CO -0.07 -1.13 1.00 0.16 0.00 0.00 0.00 175.10 175.06 2iaq h ILE 61 N 6.23 0.38 -2.67 2.22 3.07 -1.46 -3.47 117.51 121.81 2iaq h ILE 61 Ca -0.24 -1.70 -0.11 0.00 1.55 0.00 0.00 64.86 64.35 2iaq h ILE 61 Cb 1.06 1.93 -0.24 0.00 -0.27 0.00 0.00 36.82 39.30 2iaq h ILE 61 CO 1.15 0.22 -0.22 0.00 -1.05 0.00 0.00 178.15 178.25 2iaq n LYS 63 N 3.17 1.30 -1.63 0.00 4.81 -1.26 -0.24 118.16 124.30 2iaq n LYS 63 Ca -0.15 -3.82 -0.46 0.00 -0.87 0.00 0.00 58.31 53.00 2iaq n LYS 63 Cb 0.57 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 2iaq n LYS 63 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2iaq n PRO 64 N 1.62 1.68 -3.67 1.64 -0.04 -1.26 -4.92 135.00 130.06 2iaq n PRO 64 Ca 0.25 0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 64.19 2iaq n PRO 64 Cb 0.46 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 2iaq n PRO 64 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2iaq s GLU 65 N -0.54 0.64 -0.26 0.54 4.04 -1.26 -1.08 118.70 120.78 2iaq s GLU 65 Ca 0.69 0.89 0.02 0.00 0.04 0.00 0.00 54.97 56.61 2iaq s GLU 65 Cb -0.72 0.24 0.07 0.00 0.02 0.00 0.00 34.13 33.74 2iaq s GLU 65 CO 0.52 -0.11 -0.05 0.08 -1.84 0.00 0.00 175.26 173.86 2iaq s VAL 66 N 0.74 1.80 -1.26 1.83 1.01 -0.21 -4.76 120.40 119.55 2iaq s VAL 66 Ca -0.03 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.36 2iaq s VAL 66 Cb -0.05 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2iaq s VAL 66 CO -0.05 -0.17 0.98 0.59 0.00 0.00 0.00 175.10 176.44 2iaq n ASN 67 N 4.55 -5.93 0.00 3.32 3.02 -1.26 -2.09 115.26 116.87 2iaq n ASN 67 Ca -0.10 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 2iaq n ASN 67 Cb 0.43 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2iaq n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iaq n GLY 68 N -1.79 2.42 3.57 7.41 0.00 -1.26 -5.02 105.19 110.52 2iaq n GLY 68 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2iaq n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iaq s TYR 69 N -2.27 3.00 0.46 1.61 2.02 -0.89 -5.03 117.35 116.26 2iaq s TYR 69 Ca 0.00 0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.87 2iaq s TYR 69 Cb 0.00 -3.72 -0.08 0.00 -0.40 0.00 0.00 41.96 37.76 2iaq s TYR 69 CO 0.00 -0.96 1.11 0.20 -1.57 0.00 0.00 175.55 174.33 2iaq s GLY 70 N 2.09 2.71 0.59 0.71 0.00 -1.24 -1.04 107.32 111.13 2iaq s GLY 70 Ca 0.34 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 2iaq s GLY 70 CO 0.22 1.22 0.86 -0.32 0.00 0.00 0.00 173.10 175.08 2iaq s GLY 71 N -1.57 1.71 -0.52 0.20 0.00 -0.24 -4.72 107.32 102.19 2iaq s GLY 71 Ca 0.64 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.36 2iaq s GLY 71 CO 0.29 -0.76 0.67 1.39 0.00 0.00 0.00 173.10 174.69 2iaq n ILE 72 N -2.53 1.04 -1.76 0.90 5.41 -1.26 -0.89 119.36 120.26 2iaq n ILE 72 Ca 0.07 -4.72 -0.42 0.00 1.00 0.00 0.00 62.75 58.68 2iaq n ILE 72 Cb 0.59 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 2iaq n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2iaq s PRO 73 N -2.01 4.15 0.00 0.38 0.04 -1.26 -0.39 135.00 135.91 2iaq s PRO 73 Ca 0.38 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2iaq s PRO 73 Cb 0.18 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2iaq s PRO 73 CO -0.06 -0.80 0.00 0.00 0.04 0.00 0.00 177.00 176.18 2iaq n ALA 74 N 5.37 1.41 -3.17 8.56 0.00 0.60 -3.11 120.51 130.18 2iaq n ALA 74 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2iaq n ALA 74 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 2iaq n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iaq s GLY 75 N -1.41 -0.08 0.06 0.00 0.00 -0.58 -2.45 107.32 102.85 2iaq s GLY 75 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.87 2iaq s GLY 75 CO 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 173.10 173.00 2iaq s GLN 77 N -3.15 0.24 0.13 0.00 -1.52 -0.64 -4.79 119.66 109.93 2iaq s GLN 77 Ca 0.03 0.35 -0.14 0.00 -1.95 0.00 0.00 55.36 53.65 2iaq s GLN 77 Cb 0.01 0.07 -0.07 0.00 -0.22 0.00 0.00 33.01 32.80 2iaq s GLN 77 CO -0.05 -0.06 0.52 0.00 -0.25 0.00 0.00 175.29 175.45 2iaq s ASP 79 N -1.68 6.26 -0.22 0.00 3.68 -0.52 -4.10 116.67 120.09 2iaq s ASP 79 Ca 0.36 1.22 -0.17 0.00 2.13 0.00 0.00 52.55 56.10 2iaq s ASP 79 Cb -0.15 -2.38 -0.12 0.00 -1.45 0.00 0.00 42.92 38.82 2iaq s ASP 79 CO 0.19 -0.74 -0.14 -1.14 0.13 0.00 0.00 175.17 173.47 2iaq n ARG 80 N -2.51 0.55 0.20 4.34 0.63 -1.26 -4.52 116.66 114.10 2iaq n ARG 80 Ca 0.04 0.40 0.15 0.00 -0.92 0.00 0.00 57.85 57.51 2iaq n ARG 80 Cb 0.54 -1.60 0.62 0.00 0.45 0.00 0.00 32.46 32.48 2iaq n ARG 80 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2iaq h ASP 81 N -1.00 0.00 -4.38 6.15 3.32 -1.94 -3.43 116.42 115.14 2iaq h ASP 81 Ca -0.39 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 2iaq h ASP 81 Cb 1.28 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.60 2iaq h ASP 81 CO -0.24 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.00 2iaq s ALA 82 N -3.52 -0.84 -1.08 3.45 0.00 -1.26 -5.08 121.76 113.43 2iaq s ALA 82 Ca 0.02 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 2iaq s ALA 82 Cb 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.01 2iaq s ALA 82 CO 0.44 -0.21 1.45 1.21 0.00 0.00 0.00 175.76 178.65 2iaq s ASN 83 N -0.51 6.65 0.05 0.00 3.04 -1.26 -4.23 114.94 118.68 2iaq s ASN 83 Ca -0.06 -1.91 -0.06 0.00 0.04 0.00 0.00 52.86 50.86 2iaq s ASN 83 Cb -0.04 -2.53 -0.01 0.00 -1.54 0.00 0.00 41.25 37.14 2iaq s ASN 83 CO 0.02 -1.29 0.12 0.00 -3.04 0.00 0.00 177.10 172.91 2iaq s GLN 84 N 4.10 0.65 -0.14 0.43 -2.07 -1.26 -4.43 119.66 116.93 2iaq s GLN 84 Ca 0.45 -0.80 -0.04 0.00 -1.82 0.00 0.00 55.36 53.15 2iaq s GLN 84 Cb -0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2iaq s GLN 84 CO -0.05 -0.17 -0.00 -0.51 -1.32 0.00 0.00 175.29 173.23 2iaq s LEU 85 N -2.31 3.48 -0.29 2.60 2.01 0.62 -1.44 118.68 123.35 2iaq s LEU 85 Ca -0.02 0.01 -0.13 0.00 0.01 0.00 0.00 54.13 53.99 2iaq s LEU 85 Cb 0.01 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.33 2iaq s LEU 85 CO -0.06 0.24 0.30 -0.36 1.01 0.00 0.00 176.35 177.48 2iaq s PHE 86 N -0.03 3.23 -0.17 0.29 0.08 -0.04 0.27 117.98 121.62 2iaq s PHE 86 Ca 0.03 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.30 2iaq s PHE 86 Cb -0.13 -2.52 0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2iaq s PHE 86 CO 0.02 -0.24 -0.17 0.08 -0.10 0.00 0.00 175.22 174.81 2iaq s VAL 87 N 1.94 2.38 -0.18 -0.44 1.01 0.17 -1.62 120.40 123.66 2iaq s VAL 87 Ca 0.11 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2iaq s VAL 87 Cb -0.16 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2iaq s VAL 87 CO 0.11 0.52 1.12 0.00 0.00 0.00 0.00 175.10 176.85 2iaq s ALA 88 N 1.07 3.64 -0.16 5.51 0.00 0.84 -0.61 121.76 132.04 2iaq s ALA 88 Ca -0.01 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2iaq s ALA 88 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2iaq s ALA 88 CO -0.06 -1.02 -0.17 0.34 0.00 0.00 0.00 175.76 174.85 2iaq s ASP 89 N 1.46 3.47 0.62 0.00 2.15 0.15 -0.29 116.67 124.23 2iaq s ASP 89 Ca 0.49 -0.53 0.41 0.00 0.43 0.00 0.00 52.55 53.34 2iaq s ASP 89 Cb -0.18 -1.53 2.17 0.00 -0.30 0.00 0.00 42.92 43.07 2iaq s ASP 89 CO 0.11 0.05 2.25 -0.03 -0.17 0.00 0.00 175.17 177.39 2iaq h MET 90 N 7.53 0.00 0.00 4.34 4.05 0.53 0.40 114.93 131.78 2iaq h MET 90 Ca -0.36 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 58.91 2iaq h MET 90 Cb 1.18 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 2iaq h MET 90 CO 0.58 0.00 -1.56 0.54 0.23 0.00 0.00 176.91 176.70 2iaq n ARG 91 N -2.99 2.39 0.00 0.39 5.12 -1.26 -4.16 116.66 116.15 2iaq n ARG 91 Ca -0.02 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.98 2iaq n ARG 91 Cb 0.10 -1.21 0.06 0.00 -1.16 0.00 0.00 32.46 30.26 2iaq n ARG 91 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2iaq n LEU 92 N -2.36 2.29 0.00 0.55 4.77 -1.14 -0.63 117.00 120.48 2iaq n LEU 92 Ca -0.14 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 2iaq n LEU 92 Cb 0.76 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 2iaq n LEU 92 CO 0.16 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2iaq n GLY 93 N 0.89 1.63 3.37 -0.72 0.00 -0.04 -4.79 105.19 105.53 2iaq n GLY 93 Ca 0.09 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2iaq n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iaq s LEU 94 N 0.00 2.51 0.09 0.99 2.96 -1.26 0.32 118.68 124.29 2iaq s LEU 94 Ca 0.00 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2iaq s LEU 94 Cb 0.00 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2iaq s LEU 94 CO 0.00 0.25 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.33 2iaq s LEU 95 N -0.15 2.28 -0.23 -0.68 1.43 0.22 -0.98 118.68 120.58 2iaq s LEU 95 Ca -0.02 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2iaq s LEU 95 Cb -0.14 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.31 2iaq s LEU 95 CO 0.04 0.03 -0.09 -0.69 0.23 0.00 0.00 176.35 175.87 2iaq s VAL 96 N -1.14 2.79 -0.16 -1.59 1.01 -0.77 0.42 120.40 120.97 2iaq s VAL 96 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2iaq s VAL 96 Cb -0.10 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2iaq s VAL 96 CO 0.03 0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.68 2iaq s VAL 97 N 1.35 3.26 0.55 2.92 1.01 0.14 -1.59 120.40 128.05 2iaq s VAL 97 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2iaq s VAL 97 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2iaq s VAL 97 CO -0.06 0.50 0.87 -1.10 0.00 0.00 0.00 175.10 175.31 2iaq s GLN 98 N 0.63 3.24 0.57 2.72 -1.52 -0.04 -0.28 119.66 124.98 2iaq s GLN 98 Ca -0.05 0.17 0.35 0.00 -1.95 0.00 0.00 55.36 53.87 2iaq s GLN 98 Cb -0.15 -2.28 1.66 0.00 -0.22 0.00 0.00 33.01 32.01 2iaq s GLN 98 CO 0.03 -0.50 2.11 1.79 -0.25 0.00 0.00 175.29 178.46 2iaq h THR 99 N -0.05 0.19 0.00 -0.19 1.35 -1.87 -1.55 112.91 110.78 2iaq h THR 99 Ca -0.46 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2iaq h THR 99 Cb 1.23 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2iaq h THR 99 CO 0.61 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 2iaq n ASP 100 N -3.25 0.00 0.00 5.36 5.68 -1.26 -4.89 116.55 118.18 2iaq n ASP 100 Ca -0.01 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 2iaq n ASP 100 Cb 0.23 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2iaq n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iaq n GLY 101 N 1.02 0.80 3.83 6.12 0.00 -0.58 -4.98 105.19 111.40 2iaq n GLY 101 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2iaq n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iaq s THR 102 N -2.32 4.29 0.20 2.61 -4.23 -1.26 -4.45 115.64 110.48 2iaq s THR 102 Ca 0.00 1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 61.43 2iaq s THR 102 Cb 0.00 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2iaq s THR 102 CO 0.00 -0.70 0.36 0.72 -0.54 0.00 0.00 174.62 174.46 2iaq s PHE 103 N -2.67 0.40 0.00 3.99 -0.71 -1.26 -0.86 117.98 116.87 2iaq s PHE 103 Ca 0.60 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 2iaq s PHE 103 Cb -0.12 0.02 -0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2iaq s PHE 103 CO 0.37 -0.82 -0.01 -1.21 -1.34 0.00 0.00 175.22 172.21 2iaq s GLU 104 N -3.99 0.12 -0.19 1.99 0.41 -0.62 -4.99 118.70 111.43 2iaq s GLU 104 Ca 0.20 -0.12 -0.24 0.00 -0.41 0.00 0.00 54.97 54.40 2iaq s GLU 104 Cb 0.02 -0.07 -0.01 0.00 -1.78 0.00 0.00 34.13 32.28 2iaq s GLU 104 CO 0.04 0.02 0.78 -2.00 -0.49 0.00 0.00 175.26 173.61 2iaq s GLU 105 N -0.22 4.25 0.04 1.61 2.12 -1.26 -1.85 118.70 123.39 2iaq s GLU 105 Ca -0.02 0.90 -0.20 0.00 0.36 0.00 0.00 54.97 56.02 2iaq s GLU 105 Cb -0.02 -3.59 -0.14 0.00 0.26 0.00 0.00 34.13 30.64 2iaq s GLU 105 CO -0.00 -0.36 1.35 0.82 -0.54 0.00 0.00 175.26 176.53 2iaq h ILE 106 N 5.25 1.34 -2.57 -3.70 1.08 -1.37 -3.47 117.51 114.06 2iaq h ILE 106 Ca -0.28 -1.29 -0.10 0.00 -0.39 0.00 0.00 64.86 62.79 2iaq h ILE 106 Cb 1.12 1.86 -0.23 0.00 -3.07 0.00 0.00 36.82 36.50 2iaq h ILE 106 CO 0.83 0.38 -0.14 0.00 -0.69 0.00 0.00 178.15 178.53 2iaq s ALA 107 N -4.33 -1.20 -0.06 1.87 0.00 -1.26 -4.99 121.76 111.80 2iaq s ALA 107 Ca -0.14 1.29 0.19 0.00 0.00 0.00 0.00 51.96 53.31 2iaq s ALA 107 Cb 0.05 -0.70 -0.30 0.00 0.00 0.00 0.00 23.12 22.18 2iaq s ALA 107 CO 0.75 -0.24 0.44 1.63 0.00 0.00 0.00 175.76 178.34 2iaq n LYS 108 N 2.62 0.59 -4.00 0.00 5.02 -1.26 -4.71 118.16 116.43 2iaq n LYS 108 Ca -0.14 -0.17 -0.08 0.00 -2.02 0.00 0.00 58.31 55.89 2iaq n LYS 108 Cb 0.57 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 2iaq n LYS 108 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2iaq s LYS 109 N -3.32 0.49 0.56 1.97 1.02 -1.26 -0.99 119.74 118.22 2iaq s LYS 109 Ca -0.06 -0.84 -0.04 0.00 0.02 0.00 0.00 55.97 55.04 2iaq s LYS 109 Cb 0.12 0.18 0.12 0.00 -0.52 0.00 0.00 37.83 37.73 2iaq s LYS 109 CO 0.80 -0.10 0.77 -0.40 -0.92 0.00 0.00 175.35 175.51 2iaq n ASP 110 N 0.88 0.62 0.32 2.83 5.68 0.13 -4.80 116.55 122.21 2iaq n ASP 110 Ca -0.19 -1.62 0.20 0.00 -0.50 0.00 0.00 54.79 52.68 2iaq n ASP 110 Cb 0.58 -0.54 1.07 0.00 -1.14 0.00 0.00 41.12 41.09 2iaq n ASP 110 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2iaq h SER 111 N -0.70 0.00 -0.66 -1.12 4.64 -0.69 -0.90 113.55 114.12 2iaq h SER 111 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2iaq h SER 111 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2iaq h SER 111 CO 0.23 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.57 2iaq n GLU 112 N -3.26 2.95 -0.93 4.77 -0.58 -1.26 -4.93 120.64 117.40 2iaq n GLU 112 Ca -0.02 -2.54 0.00 0.00 -0.42 0.00 0.00 57.16 54.17 2iaq n GLU 112 Cb 0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2iaq n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2iaq n GLY 113 N 1.41 0.73 3.78 0.62 0.00 -0.34 -5.01 105.19 106.38 2iaq n GLY 113 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2iaq n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2iaq s ARG 114 N -0.22 4.45 0.29 1.61 3.52 -1.26 -4.75 118.95 122.58 2iaq s ARG 114 Ca 0.00 1.41 -0.30 0.00 -0.13 0.00 0.00 55.73 56.71 2iaq s ARG 114 Cb 0.00 -2.72 -0.13 0.00 -1.56 0.00 0.00 34.95 30.54 2iaq s ARG 114 CO 0.00 0.14 1.41 0.54 -0.81 0.00 0.00 175.30 176.58 2iaq n ARG 115 N 0.36 2.23 -2.34 5.12 3.00 -1.26 -0.69 116.66 123.08 2iaq n ARG 115 Ca 0.03 0.79 -0.36 0.00 -0.01 0.00 0.00 57.85 58.30 2iaq n ARG 115 Cb 0.50 -2.45 -0.01 0.00 0.00 0.00 0.00 32.46 30.49 2iaq n ARG 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2iaq s MET 116 N -0.96 3.67 0.11 5.56 -2.45 -0.16 -4.72 119.30 120.35 2iaq s MET 116 Ca 0.63 1.62 0.03 0.00 -1.25 0.00 0.00 55.69 56.71 2iaq s MET 116 Cb -0.59 -2.23 -0.04 0.00 1.25 0.00 0.00 34.83 33.23 2iaq s MET 116 CO 0.54 -0.59 0.14 -0.65 1.05 0.00 0.00 175.02 175.51 2iaq s GLN 117 N -2.97 3.05 0.26 4.11 -0.21 -1.26 -0.87 119.66 121.76 2iaq s GLN 117 Ca 0.67 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 2iaq s GLN 117 Cb -0.24 -2.79 -0.10 0.00 1.00 0.00 0.00 33.01 30.88 2iaq s GLN 117 CO 0.29 0.55 1.42 0.20 -2.12 0.00 0.00 175.29 175.62 2iaq s GLY 118 N -2.71 2.41 0.26 3.09 0.00 0.43 -4.40 107.32 106.40 2iaq s GLY 118 Ca 0.31 1.31 0.06 0.00 0.00 0.00 0.00 44.72 46.40 2iaq s GLY 118 CO 0.24 2.23 0.29 0.00 0.00 0.00 0.00 173.10 175.87 2iaq n ASN 120 N -1.33 1.18 -4.02 0.00 2.85 -0.49 -1.38 115.26 112.07 2iaq n ASN 120 Ca -0.07 0.02 -0.10 0.00 -0.11 0.00 0.00 54.58 54.32 2iaq n ASN 120 Cb 0.58 -0.08 -0.07 0.00 1.24 0.00 0.00 39.78 41.45 2iaq n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2iaq s ASP 121 N -5.00 0.06 0.16 1.20 -1.08 -1.25 -1.53 116.67 109.23 2iaq s ASP 121 Ca -0.04 -1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 50.86 2iaq s ASP 121 Cb 0.01 0.44 0.01 0.00 -1.46 0.00 0.00 42.92 41.92 2iaq s ASP 121 CO 0.06 -0.91 0.38 0.00 0.52 0.00 0.00 175.17 175.22 2iaq s ALA 123 N -3.90 -1.03 0.10 0.00 0.00 0.69 -4.76 121.76 112.86 2iaq s ALA 123 Ca 0.11 1.43 -0.26 0.00 0.00 0.00 0.00 51.96 53.24 2iaq s ALA 123 Cb 0.02 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 2iaq s ALA 123 CO -0.04 -0.58 0.81 -0.06 0.00 0.00 0.00 175.76 175.89 2iaq s PHE 124 N 2.18 3.81 0.63 0.00 2.99 -1.26 -0.89 117.98 125.44 2iaq s PHE 124 Ca -0.04 1.59 0.01 0.00 0.00 0.00 0.00 56.93 58.49 2iaq s PHE 124 Cb -0.11 -2.85 0.08 0.00 0.00 0.00 0.00 43.02 40.14 2iaq s PHE 124 CO -0.12 0.35 0.88 0.16 -0.00 0.00 0.00 175.22 176.48 2iaq s ASP 125 N -0.43 4.84 0.00 1.36 3.84 -0.17 -4.64 116.67 121.48 2iaq s ASP 125 Ca 0.39 -0.22 0.12 0.00 -0.00 0.00 0.00 52.55 52.84 2iaq s ASP 125 Cb -0.22 -0.42 0.50 0.00 -1.38 0.00 0.00 42.92 41.40 2iaq s ASP 125 CO 0.25 -1.49 1.37 -1.22 -0.00 0.00 0.00 175.17 174.09 2iaq n TYR 126 N -2.57 0.01 1.28 2.11 0.53 -1.26 -1.75 117.16 115.51 2iaq n TYR 126 Ca 0.12 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.13 2iaq n TYR 126 Cb 0.60 -0.51 0.35 0.00 -1.03 0.00 0.00 39.34 38.75 2iaq n TYR 126 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 2iaq n GLU 127 N -1.51 1.61 -0.40 -0.72 1.02 -1.26 -4.95 120.64 114.43 2iaq n GLU 127 Ca 0.03 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 2iaq n GLU 127 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2iaq n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iaq n GLY 128 N 1.27 0.71 3.76 0.62 0.00 -0.72 -4.88 105.19 105.95 2iaq n GLY 128 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2iaq n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iaq s ASN 129 N -2.92 7.35 -0.31 1.61 0.01 -1.26 -4.48 114.94 114.95 2iaq s ASN 129 Ca 0.00 1.61 -0.10 0.00 -0.71 0.00 0.00 52.86 53.66 2iaq s ASN 129 Cb 0.00 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 2iaq s ASN 129 CO 0.00 0.11 0.17 -0.22 -1.51 0.00 0.00 177.10 175.64 2iaq s LEU 130 N -0.64 4.13 -0.20 0.60 2.96 0.12 -1.00 118.68 124.64 2iaq s LEU 130 Ca 0.38 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.69 2iaq s LEU 130 Cb -0.22 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2iaq s LEU 130 CO 0.26 -0.18 0.42 0.26 -1.32 0.00 0.00 176.35 175.79 2iaq s TRP 131 N 1.65 3.37 -0.01 5.38 0.52 -0.07 0.29 118.94 130.06 2iaq s TRP 131 Ca 0.05 0.64 0.06 0.00 0.02 0.00 0.00 56.10 56.87 2iaq s TRP 131 Cb -0.17 -2.56 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 2iaq s TRP 131 CO 0.07 -0.04 -0.20 0.42 0.02 0.00 0.00 176.95 177.23 2iaq s ILE 132 N 1.42 1.56 -0.07 2.03 1.01 0.70 -0.22 121.20 127.62 2iaq s ILE 132 Ca 0.20 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 2iaq s ILE 132 Cb -0.15 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2iaq s ILE 132 CO 0.08 0.42 0.26 0.42 0.00 0.00 0.00 174.94 176.12 2iaq s THR 133 N -0.49 5.29 -0.51 2.92 -4.23 -0.48 -0.22 115.64 117.92 2iaq s THR 133 Ca 0.08 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 2iaq s THR 133 Cb -0.08 -3.54 0.16 0.00 1.34 0.00 0.00 72.50 70.39 2iaq s THR 133 CO -0.01 0.60 0.38 0.00 -0.54 0.00 0.00 174.62 175.05 2iaq s ALA 134 N -1.04 2.29 -0.57 3.99 0.00 0.21 -1.40 121.76 125.25 2iaq s ALA 134 Ca 0.19 -2.92 0.25 0.00 0.00 0.00 0.00 51.96 49.48 2iaq s ALA 134 Cb -0.14 -1.82 0.59 0.00 0.00 0.00 0.00 23.12 21.75 2iaq s ALA 134 CO 0.08 -2.03 1.70 -1.00 0.00 0.00 0.00 175.76 174.51 2iaq h PRO 135 N 5.74 0.00 -7.27 0.00 0.13 -1.69 0.14 132.00 129.04 2iaq h PRO 135 Ca 0.19 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.86 2iaq h PRO 135 Cb 0.86 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.07 2iaq h PRO 135 CO 0.50 0.00 0.20 0.00 -0.23 0.00 0.00 178.00 178.47 2iaq s ALA 136 N -3.17 3.22 0.89 -0.56 0.00 -1.13 -0.18 121.76 120.83 2iaq s ALA 136 Ca 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2iaq s ALA 136 Cb 0.09 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2iaq s ALA 136 CO 0.63 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2iaq n GLY 137 N -2.91 0.47 3.76 0.00 0.00 0.55 -4.03 105.19 103.02 2iaq n GLY 137 Ca 0.09 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 2iaq n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iaq s GLU 138 N 0.39 3.38 0.93 1.61 2.02 -1.26 -0.42 118.70 125.34 2iaq s GLU 138 Ca 0.00 2.30 -0.11 0.00 0.02 0.00 0.00 54.97 57.17 2iaq s GLU 138 Cb 0.00 -2.42 0.15 0.00 0.10 0.00 0.00 34.13 31.96 2iaq s GLU 138 CO 0.00 -1.02 1.09 0.14 0.02 0.00 0.00 175.26 175.49 2iaq s VAL 139 N -1.27 2.52 0.66 2.63 -7.23 -0.05 -4.59 120.40 113.07 2iaq s VAL 139 Ca 0.67 0.17 -0.17 0.00 -1.81 0.00 0.00 61.98 60.84 2iaq s VAL 139 Cb -0.41 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 2iaq s VAL 139 CO 0.51 -0.22 0.65 0.00 -0.31 0.00 0.00 175.10 175.73 2iaq n ALA 140 N -4.08 -0.99 1.53 1.32 0.00 0.20 -2.13 120.51 116.36 2iaq n ALA 140 Ca 0.08 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2iaq n ALA 140 Cb 0.54 -1.92 0.57 0.00 0.00 0.00 0.00 19.45 18.64 2iaq n ALA 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2iaq n PRO 141 N -0.73 0.76 -1.89 0.00 -0.04 -1.26 -4.99 135.00 126.85 2iaq n PRO 141 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2iaq n PRO 141 Cb 0.49 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 2iaq n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iaq s ALA 142 N -2.00 2.48 0.28 0.55 0.00 -0.91 -4.92 121.76 117.24 2iaq s ALA 142 Ca 0.29 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 2iaq s ALA 142 Cb 0.13 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 2iaq s ALA 142 CO 0.22 -1.35 1.48 -3.47 0.00 0.00 0.00 175.76 172.64 2iaq n ASP 143 N -1.71 3.29 -4.72 0.00 -0.08 -1.26 -4.87 116.55 107.19 2iaq n ASP 143 Ca 0.15 1.15 -0.42 0.00 -1.51 0.00 0.00 54.79 54.16 2iaq n ASP 143 Cb 0.49 -1.52 -0.03 0.00 2.34 0.00 0.00 41.12 42.40 2iaq n ASP 143 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2iaq s TYR 144 N -0.19 3.21 0.04 -0.67 6.14 -1.26 -4.75 117.35 119.87 2iaq s TYR 144 Ca 0.64 1.00 -0.06 0.00 0.64 0.00 0.00 57.07 59.29 2iaq s TYR 144 Cb -0.57 -3.70 -0.01 0.00 0.42 0.00 0.00 41.96 38.11 2iaq s TYR 144 CO 0.51 -2.37 0.12 0.95 0.64 0.00 0.00 175.55 175.40 2iaq s THR 145 N 0.73 0.13 -0.04 4.34 -4.23 -1.26 -5.01 115.64 110.31 2iaq s THR 145 Ca 0.62 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 2iaq s THR 145 Cb -0.38 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.50 2iaq s THR 145 CO 0.34 -0.61 0.12 0.00 -0.54 0.00 0.00 174.62 173.93 2iaq s ARG 146 N -2.78 0.23 0.00 3.99 1.70 -1.26 -0.33 118.95 120.49 2iaq s ARG 146 Ca -0.03 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 2iaq s ARG 146 Cb -0.00 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 2iaq s ARG 146 CO -0.05 -0.04 1.58 -1.13 -1.08 0.00 0.00 175.30 174.58 2iaq n SER 147 N 2.62 4.28 0.13 -2.89 3.41 0.75 -4.36 113.62 117.56 2iaq n SER 147 Ca -0.15 -2.14 -0.02 0.00 -0.26 0.00 0.00 58.87 56.30 2iaq n SER 147 Cb 0.58 -0.88 0.19 0.00 -0.26 0.00 0.00 64.21 63.84 2iaq n SER 147 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2iaq h MET 148 N 1.15 0.07 0.00 4.33 2.86 -1.90 -1.39 114.93 120.05 2iaq h MET 148 Ca 0.00 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 57.30 2iaq h MET 148 Cb 0.88 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 2iaq h MET 148 CO 0.00 0.62 -2.10 1.04 1.06 0.00 0.00 176.91 177.53 2iaq n GLN 149 N -3.88 0.47 -4.14 1.72 6.02 -1.26 -4.85 117.38 111.46 2iaq n GLN 149 Ca -0.02 0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 2iaq n GLN 149 Cb 0.58 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.40 2iaq n GLN 149 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2iaq s GLU 150 N -2.38 2.57 -1.28 -1.09 0.41 -1.26 -5.06 118.70 110.60 2iaq s GLU 150 Ca -0.26 -0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 53.23 2iaq s GLU 150 Cb 0.07 -2.50 0.13 0.00 -1.78 0.00 0.00 34.13 30.05 2iaq s GLU 150 CO 0.43 0.50 1.74 1.63 -0.49 0.00 0.00 175.26 179.07 2iaq n LYS 151 N 0.17 3.34 -0.13 1.61 5.02 -1.26 -4.47 118.16 122.43 2iaq n LYS 151 Ca -0.10 -3.47 0.05 0.00 -2.02 0.00 0.00 58.31 52.77 2iaq n LYS 151 Cb 0.53 -3.13 0.07 0.00 -0.02 0.00 0.00 35.03 32.48 2iaq n LYS 151 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2iaq n PHE 152 N 5.69 0.00 -2.71 2.13 1.16 -1.13 -4.08 117.46 118.52 2iaq n PHE 152 Ca 0.42 -0.59 -0.40 0.00 -1.87 0.00 0.00 57.45 55.02 2iaq n PHE 152 Cb 0.41 -0.09 -0.06 0.00 -1.61 0.00 0.00 39.48 38.13 2iaq n PHE 152 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2iaq s GLY 153 N -1.78 3.10 0.38 4.97 0.00 -0.29 -4.71 107.32 108.99 2iaq s GLY 153 Ca 0.15 0.66 0.06 0.00 0.00 0.00 0.00 44.72 45.59 2iaq s GLY 153 CO 0.01 1.23 0.03 -0.56 0.00 0.00 0.00 173.10 173.81 2iaq s SER 154 N -1.15 3.33 -0.02 1.64 0.01 0.49 -1.32 113.70 116.68 2iaq s SER 154 Ca 0.42 -1.38 0.06 0.00 1.31 0.00 0.00 55.95 56.37 2iaq s SER 154 Cb -0.27 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 2iaq s SER 154 CO 0.33 -0.52 -0.21 -0.63 0.41 0.00 0.00 173.24 172.62 2iaq s ILE 155 N -2.93 1.67 0.20 1.44 -1.09 0.81 0.66 121.20 121.97 2iaq s ILE 155 Ca 0.35 -0.90 0.06 0.00 -2.23 0.00 0.00 60.65 57.93 2iaq s ILE 155 Cb 0.09 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.53 2iaq s ILE 155 CO 0.17 0.47 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.94 2iaq s TYR 156 N -0.46 1.60 -0.17 3.97 2.02 0.70 -0.78 117.35 124.24 2iaq s TYR 156 Ca 0.07 -0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 2iaq s TYR 156 Cb -0.09 -0.82 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 2iaq s TYR 156 CO -0.00 0.21 0.03 0.00 -1.57 0.00 0.00 175.55 174.22 2iaq s PHE 158 N 1.90 3.02 0.81 0.00 5.36 0.14 -1.61 117.98 127.61 2iaq s PHE 158 Ca 0.00 -0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 55.34 2iaq s PHE 158 Cb -0.16 -3.62 0.08 0.00 -0.34 0.00 0.00 43.02 38.98 2iaq s PHE 158 CO -0.08 -1.08 1.13 0.95 -1.46 0.00 0.00 175.22 174.68 2iaq s THR 159 N 2.76 2.63 0.50 0.12 -4.23 -0.55 -0.71 115.64 116.16 2iaq s THR 159 Ca 0.16 0.20 0.24 0.00 -1.18 0.00 0.00 61.69 61.11 2iaq s THR 159 Cb -0.19 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 70.88 2iaq s THR 159 CO 0.12 -0.27 2.14 0.71 -0.54 0.00 0.00 174.62 176.78 2iaq h THR 160 N -1.11 0.73 -0.40 3.99 1.35 -1.90 -1.82 112.91 113.76 2iaq h THR 160 Ca -0.47 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2iaq h THR 160 Cb 1.30 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 2iaq h THR 160 CO 0.62 0.07 0.04 -0.90 -0.25 0.00 0.00 175.52 175.11 2iaq n ASP 161 N -3.99 3.98 -0.53 5.36 3.85 -1.26 -4.92 116.55 119.04 2iaq n ASP 161 Ca -0.03 -2.64 -0.07 0.00 -0.71 0.00 0.00 54.79 51.34 2iaq n ASP 161 Cb 0.16 -0.63 -0.03 0.00 -1.35 0.00 0.00 41.12 39.27 2iaq n ASP 161 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2iaq n GLY 162 N 0.30 0.91 3.77 6.12 0.00 -0.68 -5.03 105.19 110.57 2iaq n GLY 162 Ca 0.20 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2iaq n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iaq s GLN 163 N -2.48 4.07 -0.69 1.61 -1.52 -1.26 -4.90 119.66 114.49 2iaq s GLN 163 Ca 0.00 0.07 -0.13 0.00 -1.95 0.00 0.00 55.36 53.34 2iaq s GLN 163 Cb 0.00 -3.36 0.18 0.00 -0.22 0.00 0.00 33.01 29.61 2iaq s GLN 163 CO 0.00 0.40 0.62 1.41 -0.25 0.00 0.00 175.29 177.47 2iaq s MET 164 N -0.00 3.22 -0.21 2.91 -2.45 -1.26 -1.48 119.30 120.02 2iaq s MET 164 Ca 0.16 -2.18 -0.08 0.00 -1.25 0.00 0.00 55.69 52.34 2iaq s MET 164 Cb -0.13 -4.28 -0.04 0.00 1.25 0.00 0.00 34.83 31.63 2iaq s MET 164 CO 0.04 -1.28 0.09 0.42 1.05 0.00 0.00 175.02 175.34 2iaq s ILE 165 N 0.69 4.77 -0.23 10.11 1.01 -0.63 0.09 121.20 137.01 2iaq s ILE 165 Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 2iaq s ILE 165 Cb -0.18 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2iaq s ILE 165 CO -0.04 0.40 1.17 -1.58 0.00 0.00 0.00 174.94 174.88 2iaq s GLN 166 N 0.89 4.18 -0.01 2.79 0.74 -1.26 -0.42 119.66 126.57 2iaq s GLN 166 Ca 0.05 1.42 0.21 0.00 0.05 0.00 0.00 55.36 57.09 2iaq s GLN 166 Cb -0.14 -3.73 -0.24 0.00 1.10 0.00 0.00 33.01 30.00 2iaq s GLN 166 CO 0.03 -0.76 0.79 1.33 -0.55 0.00 0.00 175.29 176.12 2iaq n VAL 167 N 5.53 0.01 -3.59 1.34 0.24 0.04 -4.96 118.33 116.94 2iaq n VAL 167 Ca 0.13 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.21 2iaq n VAL 167 Cb 0.46 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 2iaq n VAL 167 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2iaq s ASP 168 N -3.51 -0.19 0.11 -1.34 -1.08 -1.18 -4.92 116.67 104.56 2iaq s ASP 168 Ca 0.03 0.09 0.02 0.00 -0.52 0.00 0.00 52.55 52.17 2iaq s ASP 168 Cb 0.15 0.18 -0.01 0.00 -1.46 0.00 0.00 42.92 41.79 2iaq s ASP 168 CO 0.88 -0.26 0.10 0.35 0.52 0.00 0.00 175.17 176.75 2iaq n THR 169 N 0.16 0.00 -2.91 1.71 -2.24 -1.26 -0.14 114.28 109.61 2iaq n THR 169 Ca -0.03 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 60.84 2iaq n THR 169 Cb 0.59 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2iaq n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iaq n ALA 170 N -2.24 -0.61 -2.82 6.98 0.00 -0.83 -4.92 120.51 116.08 2iaq n ALA 170 Ca -0.04 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 2iaq n ALA 170 Cb 0.20 -2.77 -0.06 0.00 0.00 0.00 0.00 19.45 16.82 2iaq n ALA 170 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2iaq s PHE 171 N -3.05 3.33 -0.97 0.00 0.40 -0.43 -4.79 117.98 112.47 2iaq s PHE 171 Ca 0.25 0.19 -0.13 0.00 -0.60 0.00 0.00 56.93 56.63 2iaq s PHE 171 Cb -0.11 -1.72 0.22 0.00 0.51 0.00 0.00 43.02 41.92 2iaq s PHE 171 CO 0.31 0.56 1.00 -1.14 0.70 0.00 0.00 175.22 176.64 2iaq s GLN 172 N -2.11 3.82 -0.51 0.44 0.74 -1.26 -1.14 119.66 119.64 2iaq s GLN 172 Ca 0.28 -2.57 -0.00 0.00 0.05 0.00 0.00 55.36 53.11 2iaq s GLN 172 Cb -0.12 -4.62 -0.01 0.00 1.10 0.00 0.00 33.01 29.37 2iaq s GLN 172 CO 0.20 -1.41 0.48 0.34 -0.55 0.00 0.00 175.29 174.34 2iaq n PHE 173 N 4.24 -1.92 -1.98 1.67 -0.00 -0.52 -4.05 117.46 114.89 2iaq n PHE 173 Ca 0.21 0.73 -0.41 0.00 -0.00 0.00 0.00 57.45 57.97 2iaq n PHE 173 Cb 0.45 -3.27 -0.02 0.00 -0.00 0.00 0.00 39.48 36.64 2iaq n PHE 173 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2iaq s PRO 174 N -3.11 4.25 0.00 -7.13 0.04 -1.26 -2.62 135.00 125.17 2iaq s PRO 174 Ca 0.04 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2iaq s PRO 174 Cb -0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2iaq s PRO 174 CO 0.49 -0.44 0.00 -1.71 0.04 0.00 0.00 177.00 175.39 2iaq n ASN 175 N 2.18 0.00 -4.74 6.66 2.85 0.10 -4.02 115.26 118.29 2iaq n ASN 175 Ca 0.06 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.22 2iaq n ASN 175 Cb 0.40 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.52 2iaq n ASN 175 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2iaq s GLY 176 N -0.09 1.82 -0.13 8.20 0.00 0.06 -4.14 107.32 113.04 2iaq s GLY 176 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.96 2iaq s GLY 176 CO 0.00 0.82 0.54 -1.50 0.00 0.00 0.00 173.10 172.96 2iaq s ILE 177 N -2.66 0.01 0.08 0.90 2.07 -1.26 -0.93 121.20 119.41 2iaq s ILE 177 Ca 0.65 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.67 2iaq s ILE 177 Cb -0.20 -0.80 0.02 0.00 0.13 0.00 0.00 42.46 41.60 2iaq s ILE 177 CO 0.53 -0.05 0.29 0.00 -1.91 0.00 0.00 174.94 173.80 2iaq s ALA 178 N -0.40 -0.58 -0.08 1.50 0.00 -0.38 -4.61 121.76 117.21 2iaq s ALA 178 Ca -0.05 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2iaq s ALA 178 Cb -0.03 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 2iaq s ALA 178 CO 0.04 -0.50 -0.23 0.08 0.00 0.00 0.00 175.76 175.15 2iaq s VAL 179 N -3.27 1.94 -0.16 0.00 1.01 -1.26 -0.53 120.40 118.12 2iaq s VAL 179 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2iaq s VAL 179 Cb 0.02 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2iaq s VAL 179 CO -0.08 0.54 0.13 -0.60 0.00 0.00 0.00 175.10 175.08 2iaq s ARG 180 N 0.22 3.86 0.17 2.72 3.52 0.73 -4.98 118.95 125.18 2iaq s ARG 180 Ca -0.14 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.35 2iaq s ARG 180 Cb -0.16 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2iaq s ARG 180 CO 0.07 0.50 -0.08 -1.01 -0.81 0.00 0.00 175.30 173.96 2iaq s HIS 181 N -0.22 2.68 0.82 5.12 3.76 -1.26 -1.70 115.29 124.49 2iaq s HIS 181 Ca 0.11 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.70 2iaq s HIS 181 Cb -0.11 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.33 2iaq s HIS 181 CO 0.01 0.50 1.10 -1.64 -0.85 0.00 0.00 174.74 173.85 2iaq s MET 182 N -2.73 1.90 0.55 1.40 1.00 0.21 -4.88 119.30 116.75 2iaq s MET 182 Ca 0.24 0.67 0.22 0.00 0.00 0.00 0.00 55.69 56.83 2iaq s MET 182 Cb -0.09 -1.89 1.45 0.00 0.00 0.00 0.00 34.83 34.30 2iaq s MET 182 CO 0.15 -1.76 2.13 -0.91 0.00 0.00 0.00 175.02 174.63 2iaq h ASN 183 N -1.19 0.00 0.11 3.03 2.35 -2.00 0.47 115.58 118.34 2iaq h ASN 183 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2iaq h ASN 183 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2iaq h ASN 183 CO 0.58 0.00 -0.02 -0.90 -1.65 0.00 0.00 177.43 175.45 2iaq n ASP 184 N -4.26 0.37 0.00 5.81 5.75 -1.26 -4.90 116.55 118.05 2iaq n ASP 184 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 2iaq n ASP 184 Cb 0.24 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2iaq n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iaq n GLY 185 N 1.11 0.38 3.70 6.12 0.00 0.15 -5.07 105.19 111.58 2iaq n GLY 185 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2iaq n GLY 185 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2iaq s ARG 186 N -0.93 4.41 0.09 1.61 3.52 -1.25 -4.67 118.95 121.72 2iaq s ARG 186 Ca 0.00 1.73 -0.31 0.00 -0.13 0.00 0.00 55.73 57.02 2iaq s ARG 186 Cb 0.00 -3.43 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2iaq s ARG 186 CO 0.00 -0.32 1.21 -2.14 -0.81 0.00 0.00 175.30 173.25 2iaq s PRO 187 N 1.48 4.44 0.00 5.12 0.02 -1.26 0.67 135.00 145.46 2iaq s PRO 187 Ca 0.58 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2iaq s PRO 187 Cb -0.28 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 30.93 2iaq s PRO 187 CO 0.27 -0.24 0.00 2.48 -0.33 0.00 0.00 177.00 179.18 2iaq n TYR 188 N 3.66 0.00 -3.76 6.54 4.11 -0.69 -4.75 117.16 122.28 2iaq n TYR 188 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.86 2iaq n TYR 188 Cb 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 2iaq n TYR 188 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 2iaq s GLN 189 N -0.08 0.23 -0.15 -3.48 0.74 -1.12 -0.85 119.66 114.96 2iaq s GLN 189 Ca 0.00 0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.82 2iaq s GLN 189 Cb 0.00 -0.00 -0.02 0.00 1.10 0.00 0.00 33.01 34.09 2iaq s GLN 189 CO 0.00 -0.10 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.37 2iaq s LEU 190 N 0.72 2.89 -0.13 3.68 2.96 -0.45 -0.20 118.68 128.16 2iaq s LEU 190 Ca -0.05 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2iaq s LEU 190 Cb -0.06 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2iaq s LEU 190 CO -0.04 0.15 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.43 2iaq s ILE 191 N 0.46 3.58 -0.08 6.68 -1.09 0.31 -1.53 121.20 129.54 2iaq s ILE 191 Ca -0.07 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2iaq s ILE 191 Cb -0.15 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 2iaq s ILE 191 CO 0.04 0.52 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 2iaq s VAL 192 N 0.12 1.08 -0.02 2.92 1.01 0.14 -1.25 120.40 124.41 2iaq s VAL 192 Ca -0.03 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2iaq s VAL 192 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2iaq s VAL 192 CO 0.03 0.35 0.67 0.00 0.00 0.00 0.00 175.10 176.16 2iaq s ALA 193 N 0.94 3.40 -0.43 5.51 0.00 -0.10 0.17 121.76 131.24 2iaq s ALA 193 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2iaq s ALA 193 Cb -0.15 -2.88 0.12 0.00 0.00 0.00 0.00 23.12 20.21 2iaq s ALA 193 CO 0.00 0.04 0.18 -2.00 0.00 0.00 0.00 175.76 173.99 2iaq s GLU 194 N 0.22 1.86 0.00 0.00 2.12 -0.57 0.02 118.70 122.35 2iaq s GLU 194 Ca 0.35 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.60 2iaq s GLU 194 Cb -0.18 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2iaq s GLU 194 CO 0.19 -1.04 0.96 2.41 -0.54 0.00 0.00 175.26 177.24 2iaq n THR 195 N 4.05 0.00 0.26 -1.70 -1.04 -1.08 -3.17 114.28 111.60 2iaq n THR 195 Ca 0.03 1.46 0.12 0.00 -2.04 0.00 0.00 64.05 63.62 2iaq n THR 195 Cb 0.39 -2.08 0.77 0.00 -1.82 0.00 0.00 70.33 67.59 2iaq n THR 195 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2iaq h PRO 196 N 0.00 0.00 -0.01 -2.82 0.13 -1.74 -2.58 132.00 124.99 2iaq h PRO 196 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2iaq h PRO 196 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2iaq h PRO 196 CO 0.00 0.00 -0.02 0.25 -0.23 0.00 0.00 178.00 178.00 2iaq n THR 197 N -4.21 0.00 -3.59 1.56 -2.24 -1.19 -4.92 114.28 99.69 2iaq n THR 197 Ca -0.02 -0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 2iaq n THR 197 Cb 0.13 -0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.38 2iaq n THR 197 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2iaq n LYS 198 N -0.52 -6.60 -4.31 -0.78 4.76 -0.97 -4.95 118.16 104.79 2iaq n LYS 198 Ca 0.20 0.76 -0.21 0.00 -2.87 0.00 0.00 58.31 56.20 2iaq n LYS 198 Cb 0.24 -5.73 -0.11 0.00 -1.84 0.00 0.00 35.03 27.59 2iaq n LYS 198 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2iaq s LYS 199 N -6.30 1.20 -0.14 1.97 1.02 -1.19 -1.18 119.74 115.12 2iaq s LYS 199 Ca 0.56 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 55.21 2iaq s LYS 199 Cb -0.26 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.85 2iaq s LYS 199 CO 0.69 0.24 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.69 2iaq s LEU 200 N -2.58 1.82 0.02 3.17 1.43 -0.57 -1.52 118.68 120.45 2iaq s LEU 200 Ca 0.14 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2iaq s LEU 200 Cb -0.06 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2iaq s LEU 200 CO 0.05 -0.00 0.09 0.26 0.23 0.00 0.00 176.35 176.98 2iaq s TRP 201 N 1.20 3.29 0.14 0.29 0.52 0.12 -0.51 118.94 123.99 2iaq s TRP 201 Ca -0.01 0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.35 2iaq s TRP 201 Cb -0.14 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2iaq s TRP 201 CO -0.07 0.55 -0.14 -1.54 0.02 0.00 0.00 176.95 175.77 2iaq s SER 202 N -1.99 2.12 0.04 2.95 1.04 0.26 0.25 113.70 118.36 2iaq s SER 202 Ca 0.26 -0.87 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 2iaq s SER 202 Cb -0.12 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2iaq s SER 202 CO 0.17 -0.16 0.06 -0.31 0.98 0.00 0.00 173.24 173.98 2iaq s TYR 203 N -2.42 0.27 -0.12 5.02 2.02 -0.58 -0.93 117.35 120.62 2iaq s TYR 203 Ca 0.13 -0.63 -0.20 0.00 -0.37 0.00 0.00 57.07 55.99 2iaq s TYR 203 Cb -0.03 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 2iaq s TYR 203 CO 0.04 -0.36 0.58 -0.51 -1.57 0.00 0.00 175.55 173.73 2iaq s ASP 204 N -2.25 6.79 -0.38 2.29 1.01 0.31 -1.34 116.67 123.09 2iaq s ASP 204 Ca -0.03 0.95 -0.22 0.00 0.71 0.00 0.00 52.55 53.95 2iaq s ASP 204 Cb 0.00 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.60 2iaq s ASP 204 CO -0.06 -0.09 0.72 -0.63 0.21 0.00 0.00 175.17 175.32 2iaq s ILE 205 N 0.93 4.78 -0.16 0.77 1.01 -0.03 -1.45 121.20 127.05 2iaq s ILE 205 Ca 0.30 0.63 0.22 0.00 0.00 0.00 0.00 60.65 61.80 2iaq s ILE 205 Cb -0.16 -4.18 -0.12 0.00 0.01 0.00 0.00 42.46 38.01 2iaq s ILE 205 CO 0.13 -0.45 0.83 0.29 0.00 0.00 0.00 174.94 175.74 2iaq n LYS 206 N 6.32 0.62 -3.14 2.79 4.76 0.46 -4.45 118.16 125.53 2iaq n LYS 206 Ca 0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2iaq n LYS 206 Cb 0.48 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2iaq n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2iaq n GLY 207 N 1.24 -1.33 3.68 0.72 0.00 -1.15 -5.00 105.19 103.35 2iaq n GLY 207 Ca -0.03 -1.03 -0.49 0.00 0.00 0.00 0.00 46.02 44.47 2iaq n GLY 207 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2iaq n PRO 208 N -0.12 2.11 -2.00 1.61 -0.02 -1.26 -0.86 135.00 134.47 2iaq n PRO 208 Ca 0.00 0.77 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 2iaq n PRO 208 Cb 0.00 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 30.83 2iaq n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iaq n ALA 209 N 6.17 -0.47 -3.94 3.55 0.00 -1.26 -4.96 120.51 119.60 2iaq n ALA 209 Ca 0.22 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 2iaq n ALA 209 Cb 0.28 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 2iaq n ALA 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2iaq s LYS 210 N -4.39 1.39 -0.04 0.00 1.02 -0.04 -4.93 119.74 112.76 2iaq s LYS 210 Ca 0.00 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 54.61 2iaq s LYS 210 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2iaq s LYS 210 CO 0.00 -0.84 -0.20 0.96 -0.92 0.00 0.00 175.35 174.35 2iaq s ILE 211 N 1.21 1.61 0.34 2.17 -4.36 -1.26 -0.40 121.20 120.49 2iaq s ILE 211 Ca 0.05 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 2iaq s ILE 211 Cb -0.19 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 2iaq s ILE 211 CO -0.11 0.46 0.11 -1.61 0.24 0.00 0.00 174.94 174.02 2iaq s GLU 212 N -0.18 1.69 -0.92 0.37 2.02 -0.53 -4.93 118.70 116.23 2iaq s GLU 212 Ca 0.00 -1.98 -0.08 0.00 0.02 0.00 0.00 54.97 52.93 2iaq s GLU 212 Cb -0.11 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.61 2iaq s GLU 212 CO 0.01 -0.36 0.69 0.09 0.02 0.00 0.00 175.26 175.71 2iaq n ASN 213 N -0.91 -5.70 -4.72 -0.19 4.13 -1.26 -0.53 115.26 106.07 2iaq n ASN 213 Ca -0.02 -0.78 -0.42 0.00 1.68 0.00 0.00 54.58 55.04 2iaq n ASN 213 Cb 0.66 -3.08 -0.03 0.00 -1.54 0.00 0.00 39.78 35.78 2iaq n ASN 213 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2iaq s LYS 214 N -4.90 4.16 0.01 3.52 2.20 -1.26 -4.35 119.74 119.12 2iaq s LYS 214 Ca 0.17 2.51 -0.05 0.00 -0.36 0.00 0.00 55.97 58.24 2iaq s LYS 214 Cb -0.07 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 2iaq s LYS 214 CO 0.85 -0.69 0.08 0.15 -0.36 0.00 0.00 175.35 175.39 2iaq s LYS 215 N 1.02 0.44 -0.77 4.03 1.02 -0.11 -4.98 119.74 120.41 2iaq s LYS 215 Ca 0.72 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.97 2iaq s LYS 215 Cb -0.47 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.07 2iaq s LYS 215 CO 0.33 -0.10 1.18 0.08 -0.92 0.00 0.00 175.35 175.92 2iaq s VAL 216 N -1.52 4.05 0.06 3.17 1.01 -1.26 -0.58 120.40 125.34 2iaq s VAL 216 Ca -0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2iaq s VAL 216 Cb -0.08 -4.84 -0.30 0.00 0.00 0.00 0.00 36.38 31.16 2iaq s VAL 216 CO 0.00 -1.70 1.11 -0.25 0.00 0.00 0.00 175.10 174.27 2iaq h TRP 217 N 9.73 0.77 -3.90 5.22 7.01 -1.11 -3.48 115.95 130.19 2iaq h TRP 217 Ca -0.18 -0.53 -0.09 0.00 2.11 0.00 0.00 58.89 60.20 2iaq h TRP 217 Cb 1.05 -0.04 -0.14 0.00 -2.10 0.00 0.00 29.16 27.92 2iaq h TRP 217 CO 1.10 1.39 -0.43 0.20 -2.79 0.00 0.00 178.44 177.91 2iaq s GLY 218 N -4.57 0.20 -0.13 2.65 0.00 -0.74 -0.34 107.32 104.39 2iaq s GLY 218 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2iaq s GLY 218 CO 0.91 -0.91 -0.21 0.30 0.00 0.00 0.00 173.10 173.19 2iaq s HIS 219 N -3.88 2.53 -0.15 1.90 3.76 -0.08 -1.52 115.29 117.85 2iaq s HIS 219 Ca 0.06 -1.26 -0.21 0.00 -0.15 0.00 0.00 55.06 53.50 2iaq s HIS 219 Cb 0.05 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 2iaq s HIS 219 CO -0.10 -0.59 0.62 0.42 -0.85 0.00 0.00 174.74 174.24 2iaq s ILE 220 N 0.85 5.06 0.71 0.60 -1.09 -0.33 -4.46 121.20 122.54 2iaq s ILE 220 Ca -0.07 1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 59.40 2iaq s ILE 220 Cb -0.15 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 2iaq s ILE 220 CO -0.02 0.18 1.19 -2.84 -1.23 0.00 0.00 174.94 172.22 2iaq s PRO 221 N 1.42 2.29 0.00 2.79 0.02 -1.26 -4.83 135.00 135.43 2iaq s PRO 221 Ca 0.30 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2iaq s PRO 221 Cb -0.16 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2iaq s PRO 221 CO 0.12 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.50 2iaq n GLY 222 N 0.23 1.16 0.33 0.52 0.00 -1.26 -4.89 105.19 101.27 2iaq n GLY 222 Ca 0.13 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.46 2iaq n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iaq n THR 223 N 1.20 0.44 -0.93 2.61 -2.24 -1.26 -5.02 114.28 109.08 2iaq n THR 223 Ca 0.00 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 2iaq n THR 223 Cb 0.00 0.86 0.14 0.00 -2.10 0.00 0.00 70.33 69.23 2iaq n THR 223 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2iaq s HIS 224 N -0.76 2.01 0.01 4.78 -3.43 -1.26 -4.95 115.29 111.68 2iaq s HIS 224 Ca 0.11 1.68 -0.30 0.00 -0.80 0.00 0.00 55.06 55.74 2iaq s HIS 224 Cb 0.07 -3.22 -0.05 0.00 -1.43 0.00 0.00 32.58 27.95 2iaq s HIS 224 CO 0.09 -2.42 1.22 -1.21 -2.00 0.00 0.00 174.74 170.41 2iaq s GLU 225 N -4.75 4.39 0.00 -0.38 0.41 -1.26 -4.70 118.70 112.40 2iaq s GLU 225 Ca 0.64 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.95 2iaq s GLU 225 Cb -0.20 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 2iaq s GLU 225 CO 0.57 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 2iaq n GLY 226 N 3.32 0.36 0.00 -1.39 0.00 -1.26 -4.56 105.19 101.65 2iaq n GLY 226 Ca 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2iaq n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iaq n GLY 227 N 0.00 0.85 3.68 -0.02 0.00 -0.63 -3.95 105.19 105.11 2iaq n GLY 227 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2iaq n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iaq s ALA 228 N -1.01 3.68 0.00 4.61 0.00 -1.26 -0.68 121.76 127.11 2iaq s ALA 228 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2iaq s ALA 228 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2iaq s ALA 228 CO 0.00 -1.31 0.00 -3.47 0.00 0.00 0.00 175.76 170.98 2iaq n ASP 229 N 6.31 0.00 -4.87 0.00 -0.08 0.10 -3.98 116.55 114.03 2iaq n ASP 229 Ca 0.18 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.16 2iaq n ASP 229 Cb 0.40 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.84 2iaq n ASP 229 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2iaq s GLY 230 N 0.00 1.85 0.14 0.27 0.00 0.74 -0.76 107.32 109.56 2iaq s GLY 230 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.45 2iaq s GLY 230 CO 0.00 0.07 0.35 -3.16 0.00 0.00 0.00 173.10 170.37 2iaq s MET 231 N -4.26 1.11 -0.14 2.90 0.23 -1.26 -0.70 119.30 117.18 2iaq s MET 231 Ca 0.53 -0.91 -0.30 0.00 -1.03 0.00 0.00 55.69 53.97 2iaq s MET 231 Cb -0.10 0.43 0.12 0.00 -1.53 0.00 0.00 34.83 33.75 2iaq s MET 231 CO 0.37 -0.42 0.98 -0.51 -2.03 0.00 0.00 175.02 173.41 2iaq s ASP 232 N -2.87 -0.38 0.12 -1.18 1.01 -0.96 -4.77 116.67 107.64 2iaq s ASP 232 Ca 0.08 0.38 -0.07 0.00 0.71 0.00 0.00 52.55 53.65 2iaq s ASP 232 Cb 0.02 0.32 -0.06 0.00 1.01 0.00 0.00 42.92 44.21 2iaq s ASP 232 CO -0.07 -0.37 0.40 -0.36 0.21 0.00 0.00 175.17 174.98 2iaq s PHE 233 N -1.28 3.51 0.70 4.23 0.40 -1.26 -1.03 117.98 123.24 2iaq s PHE 233 Ca -0.01 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 2iaq s PHE 233 Cb -0.00 -2.09 0.12 0.00 0.51 0.00 0.00 43.02 41.56 2iaq s PHE 233 CO 0.01 0.45 0.96 0.16 0.70 0.00 0.00 175.22 177.51 2iaq s ASP 234 N -2.15 4.45 0.64 1.36 3.84 -0.20 -1.62 116.67 122.99 2iaq s ASP 234 Ca 0.38 -0.50 0.40 0.00 -0.00 0.00 0.00 52.55 52.84 2iaq s ASP 234 Cb -0.13 0.11 2.20 0.00 -1.38 0.00 0.00 42.92 43.72 2iaq s ASP 234 CO 0.21 -1.79 2.31 1.05 -0.00 0.00 0.00 175.17 176.95 2iaq h GLU 235 N -0.41 0.00 -0.48 2.11 4.11 -0.92 -1.06 114.58 117.94 2iaq h GLU 235 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2iaq h GLU 235 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2iaq h GLU 235 CO 0.39 0.01 0.00 -0.25 0.07 0.00 0.00 179.01 179.23 2iaq n ASP 236 N -3.24 2.75 -0.79 3.06 9.92 -1.26 -4.88 116.55 122.10 2iaq n ASP 236 Ca -0.03 -1.97 -0.08 0.00 -0.53 0.00 0.00 54.79 52.18 2iaq n ASP 236 Cb 0.10 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.24 2iaq n ASP 236 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2iaq n ASN 237 N 1.01 -3.45 -4.75 -2.24 3.02 -0.40 -4.83 115.26 103.62 2iaq n ASN 237 Ca 0.18 0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 2iaq n ASN 237 Cb 0.45 -2.23 -0.05 0.00 -0.61 0.00 0.00 39.78 37.33 2iaq n ASN 237 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2iaq s ASN 238 N -2.77 7.37 -0.32 6.41 0.02 -1.26 -4.04 114.94 120.36 2iaq s ASN 238 Ca 0.00 1.64 -0.12 0.00 -1.02 0.00 0.00 52.86 53.35 2iaq s ASN 238 Cb 0.00 -2.52 -0.03 0.00 0.02 0.00 0.00 41.25 38.72 2iaq s ASN 238 CO 0.00 0.08 0.23 -0.22 0.02 0.00 0.00 177.10 177.21 2iaq s LEU 239 N -0.54 4.32 -0.22 0.60 2.96 -0.27 -1.03 118.68 124.49 2iaq s LEU 239 Ca 0.39 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.92 2iaq s LEU 239 Cb -0.23 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2iaq s LEU 239 CO 0.26 -0.17 0.33 -0.76 -1.32 0.00 0.00 176.35 174.70 2iaq s LEU 240 N 1.76 4.12 -0.13 -0.68 1.02 -0.20 -0.80 118.68 123.77 2iaq s LEU 240 Ca 0.07 0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.61 2iaq s LEU 240 Cb -0.17 -2.39 0.01 0.00 0.02 0.00 0.00 46.19 43.67 2iaq s LEU 240 CO 0.11 -0.06 -0.18 -0.69 0.02 0.00 0.00 176.35 175.55 2iaq s VAL 241 N 1.37 1.77 -0.25 -1.59 1.01 0.12 -2.27 120.40 120.57 2iaq s VAL 241 Ca 0.15 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2iaq s VAL 241 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2iaq s VAL 241 CO 0.07 0.49 1.42 0.00 0.00 0.00 0.00 175.10 177.09 2iaq s ALA 242 N 1.05 3.38 -1.04 5.51 0.00 0.13 0.38 121.76 131.17 2iaq s ALA 242 Ca -0.03 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2iaq s ALA 242 Cb -0.15 -3.78 0.24 0.00 0.00 0.00 0.00 23.12 19.44 2iaq s ALA 242 CO -0.05 -1.74 1.06 1.21 0.00 0.00 0.00 175.76 176.24 2iaq s ASN 243 N 3.20 7.11 -0.07 0.00 3.04 -0.74 0.00 114.94 127.49 2iaq s ASN 243 Ca 0.62 -3.20 -0.36 0.00 0.04 0.00 0.00 52.86 49.95 2iaq s ASN 243 Cb -0.21 -2.24 -0.14 0.00 -1.54 0.00 0.00 41.25 37.12 2iaq s ASN 243 CO 0.24 -0.46 1.71 1.87 -3.04 0.00 0.00 177.10 177.42 2iaq n TRP 244 N 3.60 2.12 -0.18 0.43 -0.00 0.14 -1.31 117.44 122.24 2iaq n TRP 244 Ca 0.23 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 58.02 2iaq n TRP 244 Cb 0.42 -2.53 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 2iaq n TRP 244 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2iaq n GLY 245 N 3.89 0.83 0.00 5.87 0.00 -0.46 -1.61 105.19 113.71 2iaq n GLY 245 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.31 2iaq n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2iaq n SER 246 N 0.00 0.79 -0.09 1.61 3.41 -0.43 -4.89 113.62 114.02 2iaq n SER 246 Ca 0.00 -0.73 -0.01 0.00 -0.26 0.00 0.00 58.87 57.87 2iaq n SER 246 Cb 0.00 1.08 -0.00 0.00 -0.26 0.00 0.00 64.21 65.02 2iaq n SER 246 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2iaq n SER 247 N -1.41 -4.04 -4.16 4.04 7.64 -0.93 -5.00 113.62 109.77 2iaq n SER 247 Ca 0.02 0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2iaq n SER 247 Cb 0.24 -1.64 -0.11 0.00 -1.01 0.00 0.00 64.21 61.69 2iaq n SER 247 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2iaq s HIS 248 N -1.74 0.96 -0.20 1.43 3.76 -1.26 -0.38 115.29 117.85 2iaq s HIS 248 Ca 0.00 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.14 2iaq s HIS 248 Cb 0.00 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 2iaq s HIS 248 CO 0.00 -0.06 -0.02 0.42 -0.85 0.00 0.00 174.74 174.23 2iaq s ILE 249 N -2.76 3.67 0.19 0.60 1.01 -0.26 -1.79 121.20 121.85 2iaq s ILE 249 Ca 0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 2iaq s ILE 249 Cb -0.01 -2.66 -0.08 0.00 0.01 0.00 0.00 42.46 39.73 2iaq s ILE 249 CO -0.02 0.43 0.70 -1.61 0.00 0.00 0.00 174.94 174.44 2iaq s GLU 250 N 1.16 4.27 -0.23 2.79 0.41 0.16 -0.31 118.70 126.95 2iaq s GLU 250 Ca 0.02 0.86 0.01 0.00 -0.41 0.00 0.00 54.97 55.46 2iaq s GLU 250 Cb -0.15 -3.00 0.04 0.00 -1.78 0.00 0.00 34.13 29.25 2iaq s GLU 250 CO 0.00 0.47 -0.13 0.08 -0.49 0.00 0.00 175.26 175.19 2iaq s VAL 251 N -1.40 2.30 -0.03 2.63 1.01 0.57 0.13 120.40 125.62 2iaq s VAL 251 Ca 0.39 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2iaq s VAL 251 Cb -0.18 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2iaq s VAL 251 CO 0.21 0.20 0.12 -0.36 0.00 0.00 0.00 175.10 175.28 2iaq s PHE 252 N 1.21 3.41 0.88 5.22 0.08 0.02 0.43 117.98 129.23 2iaq s PHE 252 Ca -0.02 0.30 -0.14 0.00 0.12 0.00 0.00 56.93 57.19 2iaq s PHE 252 Cb -0.17 -1.80 0.13 0.00 -0.57 0.00 0.00 43.02 40.61 2iaq s PHE 252 CO -0.07 0.61 1.23 0.20 -0.10 0.00 0.00 175.22 177.08 2iaq s GLY 253 N -1.66 1.66 0.47 4.36 0.00 -1.26 -1.11 107.32 109.78 2iaq s GLY 253 Ca 0.23 -0.86 0.26 0.00 0.00 0.00 0.00 44.72 44.35 2iaq s GLY 253 CO 0.14 -0.25 1.83 -2.55 0.00 0.00 0.00 173.10 172.26 2iaq h PRO 254 N -1.32 0.20 -0.04 2.90 0.11 -1.88 -1.37 132.00 130.59 2iaq h PRO 254 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2iaq h PRO 254 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2iaq h PRO 254 CO 0.55 0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 2iaq n ASP 255 N -4.41 1.91 0.00 -2.05 8.00 -1.26 -5.05 116.55 113.68 2iaq n ASP 255 Ca 0.22 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2iaq n ASP 255 Cb 0.94 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 2iaq n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iaq n GLY 256 N 1.22 1.14 4.24 0.44 0.00 -0.52 -4.99 105.19 106.72 2iaq n GLY 256 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2iaq n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iaq n GLY 257 N 0.00 1.57 3.84 -0.02 0.00 0.54 -4.60 105.19 106.51 2iaq n GLY 257 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2iaq n GLY 257 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iaq s GLN 258 N 0.00 3.11 0.37 1.61 -1.52 -1.26 -0.90 119.66 121.07 2iaq s GLN 258 Ca 0.00 -0.61 -0.28 0.00 -1.95 0.00 0.00 55.36 52.52 2iaq s GLN 258 Cb 0.00 -2.84 -0.11 0.00 -0.22 0.00 0.00 33.01 29.84 2iaq s GLN 258 CO 0.00 0.57 1.45 -2.30 -0.25 0.00 0.00 175.29 174.76 2iaq n PRO 259 N 0.27 2.57 0.05 2.91 -0.02 -1.26 -4.68 135.00 134.83 2iaq n PRO 259 Ca -0.07 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2iaq n PRO 259 Cb 0.52 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 2iaq n PRO 259 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2iaq h LYS 260 N 2.87 0.00 -3.41 -0.52 1.79 -0.37 -3.48 116.57 113.45 2iaq h LYS 260 Ca -0.50 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.90 2iaq h LYS 260 Cb 1.25 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.76 2iaq h LYS 260 CO 0.64 0.89 -0.16 1.41 -1.08 0.00 0.00 179.45 181.15 2iaq s MET 261 N -2.70 0.97 0.12 3.15 1.75 -1.03 -4.18 119.30 117.37 2iaq s MET 261 Ca 0.00 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 53.84 2iaq s MET 261 Cb 0.10 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.15 2iaq s MET 261 CO 0.82 -0.35 -0.19 1.03 -0.65 0.00 0.00 175.02 175.68 2iaq s ARG 262 N -3.44 1.11 -0.25 4.11 0.52 -0.56 -0.31 118.95 120.13 2iaq s ARG 262 Ca 0.01 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 2iaq s ARG 262 Cb 0.02 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.28 2iaq s ARG 262 CO -0.09 0.28 -0.12 0.42 0.02 0.00 0.00 175.30 175.80 2iaq s ILE 263 N -1.49 2.15 0.01 1.52 1.01 0.58 -1.60 121.20 123.38 2iaq s ILE 263 Ca 0.08 -1.54 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 2iaq s ILE 263 Cb -0.08 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2iaq s ILE 263 CO 0.04 0.05 1.25 -0.60 0.00 0.00 0.00 174.94 175.68 2iaq s ARG 264 N 1.13 4.36 0.05 2.79 6.06 -0.56 -1.10 118.95 131.68 2iaq s ARG 264 Ca -0.07 1.80 0.02 0.00 -2.50 0.00 0.00 55.73 54.97 2iaq s ARG 264 Cb -0.19 -3.46 -0.04 0.00 0.06 0.00 0.00 34.95 31.32 2iaq s ARG 264 CO -0.06 -0.40 0.07 0.00 -2.50 0.00 0.00 175.30 172.41 2iaq n PRO 266 N 0.78 1.06 -3.46 0.00 -0.04 -1.26 -4.71 135.00 127.36 2iaq n PRO 266 Ca -0.11 -0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.09 2iaq n PRO 266 Cb 0.52 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 2iaq n PRO 266 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2iaq s PHE 267 N -0.14 -0.56 -0.20 0.54 -0.71 -1.26 -5.08 117.98 110.57 2iaq s PHE 267 Ca 0.02 0.59 0.17 0.00 -1.04 0.00 0.00 56.93 56.68 2iaq s PHE 267 Cb 0.02 0.51 0.06 0.00 -1.21 0.00 0.00 43.02 42.39 2iaq s PHE 267 CO 0.00 -0.73 1.29 1.49 -1.34 0.00 0.00 175.22 175.93 2iaq h GLU 268 N 2.34 0.00 -2.23 1.99 4.81 -1.90 -3.38 114.58 116.22 2iaq h GLU 268 Ca -0.30 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.33 2iaq h GLU 268 Cb 1.24 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.20 2iaq h GLU 268 CO 0.37 0.32 -0.61 1.63 -0.73 0.00 0.00 179.01 179.99 2iaq n LYS 269 N -3.07 2.81 -2.04 1.92 5.02 -1.26 -1.35 118.16 120.18 2iaq n LYS 269 Ca -0.00 -4.75 -0.42 0.00 -2.02 0.00 0.00 58.31 51.12 2iaq n LYS 269 Cb 0.71 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 2iaq n LYS 269 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2iaq s PRO 270 N -2.86 4.28 -0.12 1.97 0.04 -1.26 -0.77 135.00 136.28 2iaq s PRO 270 Ca 0.43 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.59 2iaq s PRO 270 Cb 0.20 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 2iaq s PRO 270 CO -0.06 -0.46 -0.26 0.00 0.04 0.00 0.00 177.00 176.26 2iaq n ALA 271 N 3.19 1.45 -2.25 8.56 0.00 0.11 -3.18 120.51 128.39 2iaq n ALA 271 Ca 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 2iaq n ALA 271 Cb 0.40 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2iaq n ALA 271 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2iaq s ASN 272 N -6.00 0.23 0.18 0.00 3.04 -1.20 -0.19 114.94 111.00 2iaq s ASN 272 Ca -0.22 -1.20 -0.11 0.00 0.04 0.00 0.00 52.86 51.37 2iaq s ASN 272 Cb 0.04 0.34 -0.00 0.00 -1.54 0.00 0.00 41.25 40.08 2iaq s ASN 272 CO 0.32 -0.78 0.34 -1.48 -3.04 0.00 0.00 177.10 172.46 2iaq s LEU 273 N -3.06 0.76 -0.28 3.21 0.05 -1.26 -1.04 118.68 117.06 2iaq s LEU 273 Ca 0.27 -0.82 -0.23 0.00 0.05 0.00 0.00 54.13 53.39 2iaq s LEU 273 Cb 0.07 1.38 0.10 0.00 -2.05 0.00 0.00 46.19 45.70 2iaq s LEU 273 CO 0.04 -0.94 0.90 -2.28 -0.55 0.00 0.00 176.35 173.52 2iaq s HIS 274 N -3.96 -0.63 0.40 3.48 2.46 -0.34 -4.76 115.29 111.94 2iaq s HIS 274 Ca 0.17 1.48 -0.19 0.00 0.47 0.00 0.00 55.06 56.99 2iaq s HIS 274 Cb 0.02 0.36 -0.10 0.00 -0.13 0.00 0.00 32.58 32.73 2iaq s HIS 274 CO 0.00 -0.31 0.88 -0.06 -2.47 0.00 0.00 174.74 172.78 2iaq s PHE 275 N 0.52 3.34 -0.11 3.88 0.40 -1.26 -0.12 117.98 124.63 2iaq s PHE 275 Ca -0.00 1.47 -0.21 0.00 -0.60 0.00 0.00 56.93 57.58 2iaq s PHE 275 Cb -0.05 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 2iaq s PHE 275 CO -0.06 -0.05 0.61 0.21 0.70 0.00 0.00 175.22 176.64 2iaq s LYS 276 N -3.14 4.36 0.28 0.44 2.20 0.03 -4.84 119.74 119.07 2iaq s LYS 276 Ca 0.59 0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 56.62 2iaq s LYS 276 Cb -0.09 -3.47 -0.15 0.00 -1.51 0.00 0.00 37.83 32.61 2iaq s LYS 276 CO 0.15 0.04 0.87 -2.30 -0.36 0.00 0.00 175.35 173.75 2iaq n PRO 277 N 3.98 0.99 -1.19 4.03 -0.02 -1.26 -1.98 135.00 139.56 2iaq n PRO 277 Ca -0.03 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.73 2iaq n PRO 277 Cb 0.51 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 2iaq n PRO 277 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2iaq n GLN 278 N 0.77 -1.53 -4.33 -0.52 1.13 -1.26 -4.95 117.38 106.68 2iaq n GLN 278 Ca 0.12 0.68 -0.19 0.00 -1.94 0.00 0.00 57.00 55.67 2iaq n GLN 278 Cb 0.31 -4.94 -0.09 0.00 0.11 0.00 0.00 30.24 25.62 2iaq n GLN 278 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2iaq s THR 279 N -1.70 0.31 -2.73 5.09 -4.23 -0.84 -5.03 115.64 106.51 2iaq s THR 279 Ca 0.00 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.76 2iaq s THR 279 Cb 0.00 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.68 2iaq s THR 279 CO 0.00 0.00 1.45 0.29 -0.54 0.00 0.00 174.62 175.82 2iaq n LYS 280 N -0.58 2.09 -2.35 3.99 5.02 -1.26 -3.31 118.16 121.76 2iaq n LYS 280 Ca 0.01 -1.60 -0.42 0.00 -2.02 0.00 0.00 58.31 54.28 2iaq n LYS 280 Cb 0.65 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2iaq n LYS 280 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2iaq s THR 281 N -1.93 3.99 -0.19 -0.18 2.01 -1.26 -0.57 115.64 117.51 2iaq s THR 281 Ca 0.33 1.36 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 2iaq s THR 281 Cb 0.20 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2iaq s THR 281 CO 0.31 0.01 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.51 2iaq s ILE 282 N 2.14 2.82 -0.08 1.82 1.01 0.13 -0.79 121.20 128.26 2iaq s ILE 282 Ca 0.60 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 2iaq s ILE 282 Cb -0.28 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2iaq s ILE 282 CO 0.25 0.48 0.54 -0.36 0.00 0.00 0.00 174.94 175.85 2iaq s PHE 283 N 1.21 3.57 -0.06 3.97 0.08 0.83 -1.81 117.98 125.77 2iaq s PHE 283 Ca 0.02 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.13 2iaq s PHE 283 Cb -0.14 -2.60 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2iaq s PHE 283 CO -0.05 0.21 -0.15 0.08 -0.10 0.00 0.00 175.22 175.21 2iaq s VAL 284 N 0.43 1.33 -0.01 -0.44 1.01 0.81 -1.20 120.40 122.32 2iaq s VAL 284 Ca 0.29 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2iaq s VAL 284 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2iaq s VAL 284 CO 0.13 0.39 0.12 0.42 0.00 0.00 0.00 175.10 176.16 2iaq s THR 285 N 0.37 4.99 0.00 3.92 -4.23 -0.20 -0.12 115.64 120.38 2iaq s THR 285 Ca -0.11 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 2iaq s THR 285 Cb -0.14 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 2iaq s THR 285 CO 0.04 0.35 0.06 -1.83 -0.54 0.00 0.00 174.62 172.70 2iaq s GLU 286 N -1.77 0.36 0.00 3.99 4.04 -0.57 0.08 118.70 124.83 2iaq s GLU 286 Ca 0.24 -0.41 0.23 0.00 0.04 0.00 0.00 54.97 55.07 2iaq s GLU 286 Cb -0.12 0.14 0.56 0.00 0.02 0.00 0.00 34.13 34.73 2iaq s GLU 286 CO 0.15 -0.07 1.48 0.72 -1.84 0.00 0.00 175.26 175.70 2iaq n HIS 287 N 1.74 0.77 -0.04 4.83 8.25 0.05 -1.69 115.22 129.13 2iaq n HIS 287 Ca -0.22 -0.39 -0.15 0.00 -0.26 0.00 0.00 57.72 56.71 2iaq n HIS 287 Cb 0.56 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.55 2iaq n HIS 287 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2iaq h GLU 288 N 4.32 0.07 -0.00 -0.41 4.81 -1.96 -3.36 114.58 118.05 2iaq h GLU 288 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2iaq h GLU 288 Cb 0.97 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2iaq h GLU 288 CO 0.00 0.91 -0.61 0.09 -0.73 0.00 0.00 179.01 178.67 2iaq n ASN 289 N -4.59 0.88 -3.30 1.04 4.13 -1.26 -5.01 115.26 107.16 2iaq n ASN 289 Ca -0.10 -0.94 -0.16 0.00 1.68 0.00 0.00 54.58 55.06 2iaq n ASN 289 Cb 0.47 0.89 0.08 0.00 -1.54 0.00 0.00 39.78 39.68 2iaq n ASN 289 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2iaq n ASN 290 N -1.09 -4.98 -3.94 6.41 3.02 -0.68 -4.45 115.26 109.55 2iaq n ASN 290 Ca 0.04 -0.67 -0.19 0.00 -0.03 0.00 0.00 54.58 53.73 2iaq n ASN 290 Cb 0.25 -5.15 -0.09 0.00 -0.61 0.00 0.00 39.78 34.18 2iaq n ASN 290 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iaq s ALA 291 N -3.38 1.95 -0.05 5.41 0.00 -0.90 -0.99 121.76 123.81 2iaq s ALA 291 Ca 0.29 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.55 2iaq s ALA 291 Cb -0.04 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 2iaq s ALA 291 CO 0.73 -0.52 -0.25 0.08 0.00 0.00 0.00 175.76 175.80 2iaq s VAL 292 N -3.60 2.04 0.38 0.00 1.01 -0.20 -1.51 120.40 118.52 2iaq s VAL 292 Ca 0.36 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2iaq s VAL 292 Cb 0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2iaq s VAL 292 CO 0.18 0.57 0.13 0.26 0.00 0.00 0.00 175.10 176.24 2iaq s TRP 293 N -0.24 1.78 -0.04 5.22 0.52 0.84 -0.62 118.94 126.39 2iaq s TRP 293 Ca -0.01 -1.27 -0.12 0.00 0.02 0.00 0.00 56.10 54.71 2iaq s TRP 293 Cb -0.13 -1.11 0.02 0.00 -1.15 0.00 0.00 33.47 31.10 2iaq s TRP 293 CO 0.03 -0.32 0.28 -1.59 0.02 0.00 0.00 176.95 175.37 2iaq s LYS 294 N -3.74 0.55 0.14 4.98 -2.85 -0.23 -0.14 119.74 118.46 2iaq s LYS 294 Ca 0.28 -0.07 -0.12 0.00 -1.00 0.00 0.00 55.97 55.06 2iaq s LYS 294 Cb 0.04 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2iaq s LYS 294 CO 0.16 -0.13 0.32 -0.59 0.10 0.00 0.00 175.35 175.20 2iaq s PHE 295 N -0.94 0.09 -0.20 1.78 -0.71 -0.75 -0.23 117.98 117.02 2iaq s PHE 295 Ca -0.10 -0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 55.17 2iaq s PHE 295 Cb -0.05 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2iaq s PHE 295 CO 0.03 -0.69 0.37 -1.21 -1.34 0.00 0.00 175.22 172.37 2iaq s GLU 296 N -3.88 4.17 0.71 1.99 0.41 -1.26 -0.69 118.70 120.15 2iaq s GLU 296 Ca 0.09 0.15 -0.03 0.00 -0.41 0.00 0.00 54.97 54.77 2iaq s GLU 296 Cb 0.03 -3.53 0.11 0.00 -1.78 0.00 0.00 34.13 28.96 2iaq s GLU 296 CO -0.07 -0.01 0.99 -0.46 -0.49 0.00 0.00 175.26 175.22 2iaq s TRP 297 N 1.23 1.99 0.16 1.61 -0.00 0.27 -4.94 118.94 119.26 2iaq s TRP 297 Ca 0.18 -0.08 0.33 0.00 -0.00 0.00 0.00 56.10 56.53 2iaq s TRP 297 Cb -0.14 -3.08 1.41 0.00 -0.00 0.00 0.00 33.47 31.65 2iaq s TRP 297 CO 0.07 -1.61 2.00 1.96 -0.00 0.00 0.00 176.95 179.38 2iaq h GLN 298 N -0.53 0.00 -3.21 5.86 4.20 -1.98 -3.46 115.11 115.98 2iaq h GLN 298 Ca -0.39 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 2iaq h GLN 298 Cb 1.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2iaq h GLN 298 CO 0.45 0.03 0.18 -0.98 -0.67 0.00 0.00 178.83 177.83 2iaq s ARG 299 N -3.73 2.09 0.83 1.46 1.70 -1.26 -5.09 118.95 114.96 2iaq s ARG 299 Ca 0.00 -1.42 -0.11 0.00 -0.47 0.00 0.00 55.73 53.74 2iaq s ARG 299 Cb 0.10 0.59 0.09 0.00 -0.57 0.00 0.00 34.95 35.16 2iaq s ARG 299 CO 0.54 -0.96 1.10 -0.80 -1.08 0.00 0.00 175.30 174.10 2iaq s ASN 300 N -3.07 3.96 0.59 -2.89 -0.87 -1.26 -4.42 114.94 106.98 2iaq s ASN 300 Ca 0.18 1.78 -0.09 0.00 -1.57 0.00 0.00 52.86 53.16 2iaq s ASN 300 Cb -0.04 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2iaq s ASN 300 CO 0.12 -2.38 0.95 -0.83 -2.57 0.00 0.00 177.10 172.40 2iaq s GLY 301 N -3.29 1.60 0.14 0.66 0.00 -1.21 -0.51 107.32 104.71 2iaq s GLY 301 Ca 0.63 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 2iaq s GLY 301 CO 0.57 -0.09 1.23 1.25 0.00 0.00 0.00 173.10 176.06 2iaq s LYS 302 N -5.06 4.44 0.14 2.90 2.47 -0.64 -3.94 119.74 120.06 2iaq s LYS 302 Ca 0.53 1.88 -0.35 0.00 -1.56 0.00 0.00 55.97 56.47 2iaq s LYS 302 Cb -0.11 -3.27 -0.15 0.00 -1.46 0.00 0.00 37.83 32.84 2iaq s LYS 302 CO 0.50 -0.20 1.46 1.63 0.16 0.00 0.00 175.35 178.90 2iaq n LYS 303 N 3.17 1.73 -1.80 4.03 5.02 -1.26 -4.90 118.16 124.15 2iaq n LYS 303 Ca 0.07 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 2iaq n LYS 303 Cb 0.45 -2.33 0.06 0.00 -0.02 0.00 0.00 35.03 33.19 2iaq n LYS 303 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2iaq s GLN 304 N 0.61 2.61 0.38 1.97 -1.52 -1.26 -4.94 119.66 117.52 2iaq s GLN 304 Ca 0.80 0.49 0.10 0.00 -1.95 0.00 0.00 55.36 54.80 2iaq s GLN 304 Cb -0.79 -1.99 0.86 0.00 -0.22 0.00 0.00 33.01 30.88 2iaq s GLN 304 CO 0.42 -1.22 1.92 -0.92 -0.25 0.00 0.00 175.29 175.25 2iaq h TYR 305 N -0.79 0.69 0.00 0.91 5.03 -1.87 -1.43 116.97 119.51 2iaq h TYR 305 Ca -0.46 0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.87 2iaq h TYR 305 Cb 1.26 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.32 2iaq h TYR 305 CO 0.48 0.30 0.00 0.00 -1.32 0.00 0.00 178.16 177.62 2iaq n GLU 307 N -2.00 0.16 -2.36 0.00 1.02 -0.54 -4.78 120.64 112.14 2iaq n GLU 307 Ca 0.02 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 2iaq n GLU 307 Cb 0.20 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2iaq n GLU 307 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2iaq s THR 308 N -3.10 4.44 -0.17 2.62 -4.23 -0.88 -4.99 115.64 109.33 2iaq s THR 308 Ca 0.07 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2iaq s THR 308 Cb 0.15 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 2iaq s THR 308 CO 0.76 -0.80 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.21 2iaq s LEU 309 N -4.94 2.92 0.36 4.79 1.43 -1.26 -5.00 118.68 116.98 2iaq s LEU 309 Ca 0.51 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2iaq s LEU 309 Cb -0.11 -1.71 0.67 0.00 0.03 0.00 0.00 46.19 45.07 2iaq s LEU 309 CO 0.47 0.09 1.99 0.50 0.23 0.00 0.00 176.35 179.64 2iaq h LYS 310 N 7.29 0.73 -0.31 1.70 3.64 -1.96 -2.56 116.57 125.11 2iaq h LYS 310 Ca -0.34 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 2iaq h LYS 310 Cb 1.19 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2iaq h LYS 310 CO 0.59 0.52 0.01 1.19 -2.27 0.00 0.00 179.45 179.49 2iaq n PHE 311 N -4.42 1.10 -2.50 1.91 3.72 -1.26 -5.01 117.46 111.00 2iaq n PHE 311 Ca 0.05 -0.96 -0.40 0.00 -0.05 0.00 0.00 57.45 56.09 2iaq n PHE 311 Cb 0.08 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.21 2iaq n PHE 311 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2iaq s GLY 312 N -1.89 3.03 0.03 1.37 0.00 -0.97 -4.96 107.32 103.93 2iaq s GLY 312 Ca 0.44 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 45.89 2iaq s GLY 312 CO 0.09 1.44 0.99 -2.22 0.00 0.00 0.00 173.10 173.40 2iaq h ILE 313 N 2.99 1.29 -0.02 0.90 2.04 -1.95 -3.49 117.51 119.26 2iaq h ILE 313 Ca -0.47 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 62.63 2iaq h ILE 313 Cb 1.21 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 2iaq h ILE 313 CO 0.66 0.83 0.00 0.49 0.00 0.00 0.00 178.15 180.14