#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iuf h GLN 3 N 0.00 1.10 0.44 3.69 7.50 -2.07 -1.57 115.11 124.20 2iuf h GLN 3 Ca 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 58.92 2iuf h GLN 3 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.36 2iuf h GLN 3 CO 0.00 0.91 -0.21 0.35 -1.50 0.00 0.00 178.83 178.38 2iuf h PHE 4 N 1.05 -0.55 0.00 2.96 3.57 -2.03 -2.93 116.94 119.01 2iuf h PHE 4 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2iuf h PHE 4 Cb 0.23 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2iuf h PHE 4 CO 0.02 -0.25 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.74 2iuf h LEU 5 N -0.80 0.00 -2.11 0.59 3.38 -1.90 -3.12 115.31 111.36 2iuf h LEU 5 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2iuf h LEU 5 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2iuf h LEU 5 CO 0.10 0.04 -0.02 0.77 0.09 0.00 0.00 178.44 179.42 2iuf h SER 6 N 0.00 0.00 0.24 -0.43 4.64 -1.09 -1.28 113.55 115.63 2iuf h SER 6 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 6 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2iuf h SER 6 CO 0.01 0.02 0.00 0.06 -0.87 0.00 0.00 176.83 176.05 2iuf h GLN 7 N 0.00 0.00 -0.05 4.77 3.07 -1.61 -2.29 115.11 119.00 2iuf h GLN 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2iuf h GLN 7 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2iuf h GLN 7 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.11 2iuf n PHE 8 N -2.95 0.04 -2.19 0.06 3.72 -0.48 -4.99 117.46 110.67 2iuf n PHE 8 Ca -0.02 -0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 2iuf n PHE 8 Cb 0.12 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2iuf n PHE 8 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2iuf s TYR 9 N -1.61 3.08 -0.25 1.38 2.02 -0.86 -5.02 117.35 116.08 2iuf s TYR 9 Ca 0.24 1.48 -0.03 0.00 -0.37 0.00 0.00 57.07 58.39 2iuf s TYR 9 Cb 0.17 -3.56 0.02 0.00 -0.40 0.00 0.00 41.96 38.18 2iuf s TYR 9 CO 0.25 -1.61 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.07 2iuf s LEU 10 N -2.01 3.24 -0.25 -1.29 1.43 -1.26 -5.09 118.68 113.45 2iuf s LEU 10 Ca 0.51 -0.79 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2iuf s LEU 10 Cb -0.36 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2iuf s LEU 10 CO 0.48 -0.12 0.41 0.21 0.23 0.00 0.00 176.35 177.55 2iuf s ASN 11 N 1.37 6.33 -0.30 2.29 3.84 -1.26 -4.96 114.94 122.25 2iuf s ASN 11 Ca 0.01 0.39 0.08 0.00 0.21 0.00 0.00 52.86 53.56 2iuf s ASN 11 Cb -0.16 -2.23 0.49 0.00 -0.55 0.00 0.00 41.25 38.80 2iuf s ASN 11 CO -0.03 -0.18 1.43 0.47 -2.79 0.00 0.00 177.10 176.00 2iuf n ASP 12 N 5.20 2.67 -4.70 -4.21 8.00 -1.26 -5.00 116.55 117.24 2iuf n ASP 12 Ca -0.07 -3.81 -0.42 0.00 0.71 0.00 0.00 54.79 51.19 2iuf n ASP 12 Cb 0.51 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2iuf n ASP 12 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2iuf s GLN 13 N -3.30 4.50 -1.12 -1.24 -0.21 -1.26 -4.44 119.66 112.58 2iuf s GLN 13 Ca 0.45 1.45 -0.24 0.00 0.02 0.00 0.00 55.36 57.04 2iuf s GLN 13 Cb 0.41 -3.48 0.02 0.00 1.00 0.00 0.00 33.01 30.96 2iuf s GLN 13 CO -0.01 -0.16 0.72 -3.47 -2.12 0.00 0.00 175.29 170.25 2iuf n ASP 14 N 4.27 -4.82 -4.09 5.90 2.03 -1.26 -4.98 116.55 113.60 2iuf n ASP 14 Ca 0.07 -1.11 -0.07 0.00 0.52 0.00 0.00 54.79 54.20 2iuf n ASP 14 Cb 0.50 -2.45 -0.10 0.00 -0.72 0.00 0.00 41.12 38.35 2iuf n ASP 14 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2iuf s VAL 15 N -3.42 0.22 0.33 5.18 -7.23 -1.26 -5.15 120.40 109.06 2iuf s VAL 15 Ca 0.42 -1.80 -0.25 0.00 -1.81 0.00 0.00 61.98 58.54 2iuf s VAL 15 Cb -0.19 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.13 2iuf s VAL 15 CO 0.91 -0.99 0.93 -0.31 -0.31 0.00 0.00 175.10 175.33 2iuf s TYR 16 N -3.92 3.65 0.42 2.82 2.02 -1.26 -5.04 117.35 116.05 2iuf s TYR 16 Ca 0.07 1.74 -0.26 0.00 -0.37 0.00 0.00 57.07 58.25 2iuf s TYR 16 Cb 0.08 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.66 2iuf s TYR 16 CO -0.10 0.19 1.36 -1.17 -1.57 0.00 0.00 175.55 174.26 2iuf s LEU 17 N -2.16 4.18 0.08 -1.29 2.96 -1.26 -4.96 118.68 116.23 2iuf s LEU 17 Ca 0.51 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 2iuf s LEU 17 Cb -0.18 -3.90 -0.04 0.00 0.50 0.00 0.00 46.19 42.57 2iuf s LEU 17 CO 0.22 -0.97 -0.04 0.42 -1.32 0.00 0.00 176.35 174.67 2iuf s THR 18 N -1.23 0.42 1.13 3.68 -4.23 -1.26 -1.12 115.64 113.04 2iuf s THR 18 Ca 0.58 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 59.05 2iuf s THR 18 Cb -0.41 -1.64 0.25 0.00 1.34 0.00 0.00 72.50 72.05 2iuf s THR 18 CO 0.52 -0.90 1.10 -0.94 -0.54 0.00 0.00 174.62 173.86 2iuf s SER 19 N -2.99 1.50 0.00 3.99 1.04 0.64 -4.82 113.70 113.07 2iuf s SER 19 Ca 0.11 0.86 0.15 0.00 0.48 0.00 0.00 55.95 57.55 2iuf s SER 19 Cb 0.07 -1.29 0.76 0.00 0.10 0.00 0.00 66.02 65.66 2iuf s SER 19 CO -0.07 -3.79 1.42 0.59 0.98 0.00 0.00 173.24 172.37 2iuf n ASN 20 N -4.57 0.00 -0.67 7.02 3.02 -1.26 -2.05 115.26 116.74 2iuf n ASN 20 Ca 0.10 0.07 0.04 0.00 -0.03 0.00 0.00 54.58 54.75 2iuf n ASN 20 Cb 0.59 -0.28 0.20 0.00 -0.61 0.00 0.00 39.78 39.67 2iuf n ASN 20 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2iuf n VAL 21 N -1.28 2.25 -1.10 2.41 0.24 -1.26 -4.99 118.33 114.60 2iuf n VAL 21 Ca 0.07 -2.83 -0.04 0.00 -2.04 0.00 0.00 64.34 59.51 2iuf n VAL 21 Cb 0.12 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 2iuf n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iuf n GLY 22 N -1.14 0.65 3.66 7.63 0.00 -0.87 -5.02 105.19 110.10 2iuf n GLY 22 Ca 0.22 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 2iuf n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iuf s GLY 23 N -2.62 2.01 0.34 -0.02 0.00 -1.26 -4.80 107.32 100.97 2iuf s GLY 23 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 2iuf s GLY 23 CO 0.00 1.42 1.51 -4.14 0.00 0.00 0.00 173.10 171.89 2iuf s PRO 24 N 2.07 4.14 0.21 2.90 0.02 -1.26 -0.26 135.00 142.83 2iuf s PRO 24 Ca 0.30 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 2iuf s PRO 24 Cb -0.16 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 2iuf s PRO 24 CO 0.10 -0.54 0.18 0.96 -0.33 0.00 0.00 177.00 177.38 2iuf s ILE 25 N -0.65 0.00 0.21 2.83 -4.36 -0.27 -4.86 121.20 114.10 2iuf s ILE 25 Ca 0.57 -1.92 0.10 0.00 -0.26 0.00 0.00 60.65 59.14 2iuf s ILE 25 Cb -0.46 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2iuf s ILE 25 CO 0.56 0.00 -0.14 0.00 0.24 0.00 0.00 174.94 175.59 2iuf s GLN 26 N -4.12 1.87 0.00 0.37 -2.07 -1.26 -4.43 119.66 110.02 2iuf s GLN 26 Ca 0.37 -1.45 0.19 0.00 -1.82 0.00 0.00 55.36 52.65 2iuf s GLN 26 Cb 0.06 -2.00 0.31 0.00 -1.09 0.00 0.00 33.01 30.29 2iuf s GLN 26 CO 0.12 0.40 1.11 -0.40 -1.32 0.00 0.00 175.29 175.20 2iuf n ASP 27 N -0.13 0.57 -0.00 12.60 5.75 -1.26 -4.90 116.55 129.18 2iuf n ASP 27 Ca -0.10 -1.98 0.05 0.00 -0.01 0.00 0.00 54.79 52.76 2iuf n ASP 27 Cb 0.57 -0.19 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 2iuf n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2iuf n GLU 28 N 0.37 1.83 -4.11 0.11 -0.58 -1.26 -4.96 120.64 112.03 2iuf n GLU 28 Ca -0.00 -0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.50 2iuf n GLU 28 Cb 1.03 -1.14 -0.16 0.00 -0.57 0.00 0.00 31.44 30.60 2iuf n GLU 28 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2iuf s ASN 29 N -2.67 0.74 0.66 1.62 0.01 -1.26 -5.14 114.94 108.90 2iuf s ASN 29 Ca -0.00 -0.10 -0.16 0.00 -0.71 0.00 0.00 52.86 51.89 2iuf s ASN 29 Cb 0.08 -0.33 -0.00 0.00 0.41 0.00 0.00 41.25 41.40 2iuf s ASN 29 CO 0.45 -0.05 1.16 -0.44 -1.51 0.00 0.00 177.10 176.72 2iuf s SER 30 N 0.78 4.90 -0.16 -1.22 0.01 -1.26 -4.98 113.70 111.76 2iuf s SER 30 Ca -0.09 2.21 -0.28 0.00 1.31 0.00 0.00 55.95 59.10 2iuf s SER 30 Cb -0.13 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 2iuf s SER 30 CO -0.00 -1.78 0.97 -0.22 0.41 0.00 0.00 173.24 172.61 2iuf s LEU 31 N -4.68 4.19 0.15 2.44 2.96 -1.26 -5.02 118.68 117.45 2iuf s LEU 31 Ca 0.72 1.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.09 2iuf s LEU 31 Cb -0.26 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2iuf s LEU 31 CO 0.39 -0.50 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.82 2iuf s SER 32 N 1.14 2.36 -1.04 3.68 1.04 -1.26 -1.28 113.70 118.34 2iuf s SER 32 Ca 0.44 -0.84 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 2iuf s SER 32 Cb -0.17 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.88 2iuf s SER 32 CO 0.13 -0.09 1.51 0.00 0.98 0.00 0.00 173.24 175.77 2iuf s ALA 33 N -2.12 2.69 0.05 5.32 0.00 -0.85 -4.81 121.76 122.05 2iuf s ALA 33 Ca 0.13 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2iuf s ALA 33 Cb -0.05 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2iuf s ALA 33 CO 0.05 -3.68 0.00 0.41 0.00 0.00 0.00 175.76 172.54 2iuf n GLY 34 N 6.74 -1.69 0.31 0.00 0.00 -1.26 -3.30 105.19 105.98 2iuf n GLY 34 Ca 0.35 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.94 2iuf n GLY 34 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2iuf h GLN 35 N -0.18 0.59 -0.17 1.61 4.15 -2.01 -2.71 115.11 116.38 2iuf h GLN 35 Ca -0.00 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 2iuf h GLN 35 Cb 0.17 -0.13 -0.14 0.00 0.21 0.00 0.00 27.48 27.60 2iuf h GLN 35 CO 0.00 0.40 -0.63 0.54 -1.93 0.00 0.00 178.83 177.21 2iuf n ARG 36 N -4.46 1.89 -2.73 1.69 1.74 -1.26 -5.07 116.66 108.46 2iuf n ARG 36 Ca 0.04 -3.39 -0.21 0.00 -0.77 0.00 0.00 57.85 53.52 2iuf n ARG 36 Cb 0.06 -1.62 0.05 0.00 -1.02 0.00 0.00 32.46 29.93 2iuf n ARG 36 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2iuf s GLY 37 N -3.23 1.83 0.62 -0.13 0.00 -1.03 -5.03 107.32 100.36 2iuf s GLY 37 Ca 0.40 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 2iuf s GLY 37 CO -0.05 -1.21 1.22 0.00 0.00 0.00 0.00 173.10 173.05 2iuf s ALA 38 N -2.75 2.46 0.26 3.20 0.00 -1.26 -4.48 121.76 119.19 2iuf s ALA 38 Ca 0.59 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 2iuf s ALA 38 Cb -0.09 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2iuf s ALA 38 CO 0.39 -1.33 1.01 0.99 0.00 0.00 0.00 175.76 176.81 2iuf s THR 39 N -1.65 3.82 0.04 0.00 2.01 -1.26 -2.01 115.64 116.58 2iuf s THR 39 Ca 0.77 1.82 -0.18 0.00 0.31 0.00 0.00 61.69 64.41 2iuf s THR 39 Cb -0.31 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 2iuf s THR 39 CO 0.36 0.42 0.51 -0.76 -0.69 0.00 0.00 174.62 174.46 2iuf s LEU 40 N -1.35 4.50 0.45 4.42 1.43 -0.41 -4.97 118.68 122.76 2iuf s LEU 40 Ca 0.43 1.15 0.14 0.00 -1.03 0.00 0.00 54.13 54.81 2iuf s LEU 40 Cb -0.28 -2.78 1.05 0.00 0.03 0.00 0.00 46.19 44.21 2iuf s LEU 40 CO 0.35 0.28 2.02 0.25 0.23 0.00 0.00 176.35 179.49 2iuf h LEU 41 N 4.66 0.31 0.00 1.79 5.85 -1.96 -1.92 115.31 124.06 2iuf h LEU 41 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2iuf h LEU 41 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2iuf h LEU 41 CO 0.63 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 2iuf n GLN 42 N -4.47 0.57 -2.35 1.25 10.64 -1.26 -4.44 117.38 117.31 2iuf n GLN 42 Ca 0.07 0.01 -0.36 0.00 -1.83 0.00 0.00 57.00 54.88 2iuf n GLN 42 Cb 0.28 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.14 2iuf n GLN 42 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2iuf s ASP 43 N -2.05 6.02 0.51 2.61 -1.08 -0.72 -4.74 116.67 117.21 2iuf s ASP 43 Ca 0.28 -1.91 0.26 0.00 -0.52 0.00 0.00 52.55 50.65 2iuf s ASP 43 Cb 0.13 -2.58 1.37 0.00 -1.46 0.00 0.00 42.92 40.38 2iuf s ASP 43 CO 0.23 -2.02 2.04 2.19 0.52 0.00 0.00 175.17 178.13 2iuf h PHE 44 N 8.90 0.00 -0.16 -5.34 -0.00 -1.89 -2.46 116.94 115.99 2iuf h PHE 44 Ca 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.25 2iuf h PHE 44 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.87 2iuf h PHE 44 CO 1.32 0.14 -0.00 0.82 -0.00 0.00 0.00 178.31 180.58 2iuf h ILE 45 N 0.00 1.26 0.10 0.88 2.04 -1.95 -0.04 117.51 119.79 2iuf h ILE 45 Ca -0.00 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2iuf h ILE 45 Cb 0.37 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2iuf h ILE 45 CO 0.02 0.25 -0.17 0.15 0.00 0.00 0.00 178.15 178.40 2iuf h PHE 46 N 0.03 -0.44 -0.35 1.37 3.57 -1.91 -2.46 116.94 116.75 2iuf h PHE 46 Ca 0.05 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 2iuf h PHE 46 Cb 0.39 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2iuf h PHE 46 CO 0.04 -0.25 -0.40 0.00 -2.23 0.00 0.00 178.31 175.47 2iuf h ARG 47 N -0.33 0.86 -0.29 1.11 3.08 -1.31 -0.96 114.38 116.54 2iuf h ARG 47 Ca 0.02 -0.45 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 2iuf h ARG 47 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2iuf h ARG 47 CO -0.10 1.10 -0.10 1.05 -1.07 0.00 0.00 179.97 180.85 2iuf h GLU 48 N 0.70 0.48 -0.02 0.04 -0.00 -0.97 0.16 114.58 114.98 2iuf h GLU 48 Ca 0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.28 2iuf h GLU 48 Cb 0.97 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2iuf h GLU 48 CO 0.09 0.59 -0.01 -0.22 -0.00 0.00 0.00 179.01 179.46 2iuf h LYS 49 N 0.45 0.04 -0.07 1.06 3.64 -1.14 -1.86 116.57 118.69 2iuf h LYS 49 Ca 0.09 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 2iuf h LYS 49 Cb 0.45 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2iuf h LYS 49 CO 0.02 0.45 -0.62 0.82 -2.27 0.00 0.00 179.45 177.86 2iuf h ILE 50 N -0.37 1.39 -0.32 2.00 1.08 -1.10 -2.17 117.51 118.03 2iuf h ILE 50 Ca 0.00 -2.00 -0.05 0.00 -0.39 0.00 0.00 64.86 62.42 2iuf h ILE 50 Cb 0.44 2.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 2iuf h ILE 50 CO 0.00 0.59 -0.02 -0.61 -0.69 0.00 0.00 178.15 177.43 2iuf h GLN 51 N 0.18 0.57 -0.46 2.37 4.15 -0.66 0.23 115.11 121.49 2iuf h GLN 51 Ca -0.01 -0.19 0.05 0.00 0.77 0.00 0.00 58.65 59.27 2iuf h GLN 51 Cb 1.13 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 2iuf h GLN 51 CO 0.10 0.72 0.21 0.00 -1.93 0.00 0.00 178.83 177.92 2iuf h ARG 52 N 0.36 0.40 -0.21 1.69 2.47 -1.24 -2.45 114.38 115.40 2iuf h ARG 52 Ca 0.09 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.83 2iuf h ARG 52 Cb 0.47 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 2iuf h ARG 52 CO 0.02 0.27 -0.07 0.35 0.56 0.00 0.00 179.97 181.10 2iuf h PHE 53 N 0.41 -0.15 -0.02 3.04 3.57 -1.02 -2.45 116.94 120.32 2iuf h PHE 53 Ca 0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2iuf h PHE 53 Cb 0.15 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2iuf h PHE 53 CO -0.12 -0.11 0.02 -0.44 -2.23 0.00 0.00 178.31 175.43 2iuf h ASP 54 N -0.02 0.00 -0.14 0.41 3.32 -0.19 -1.96 116.42 117.83 2iuf h ASP 54 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2iuf h ASP 54 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2iuf h ASP 54 CO -0.23 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.70 2iuf n HIS 55 N -3.76 0.49 0.03 4.55 8.25 -0.95 -4.75 115.22 119.07 2iuf n HIS 55 Ca -0.03 -0.91 0.01 0.00 -0.26 0.00 0.00 57.72 56.54 2iuf n HIS 55 Cb 0.11 -0.23 0.35 0.00 1.12 0.00 0.00 29.99 31.34 2iuf n HIS 55 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2iuf h GLU 56 N 0.97 0.45 -6.69 -0.41 5.08 -0.90 -3.45 114.58 109.63 2iuf h GLU 56 Ca 0.00 -0.08 -0.50 0.00 -1.00 0.00 0.00 59.36 57.78 2iuf h GLU 56 Cb 1.21 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2iuf h GLU 56 CO 0.11 0.46 0.12 1.03 -1.00 0.00 0.00 179.01 179.73 2iuf s ARG 57 N -5.03 4.11 0.23 2.33 1.81 -1.26 -5.09 118.95 116.04 2iuf s ARG 57 Ca -0.07 0.77 0.09 0.00 -1.72 0.00 0.00 55.73 54.80 2iuf s ARG 57 Cb 0.16 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 2iuf s ARG 57 CO 0.75 0.23 -0.17 0.14 -0.68 0.00 0.00 175.30 175.58 2iuf s VAL 58 N -1.82 1.99 0.29 3.52 -7.23 -1.26 -5.11 120.40 110.77 2iuf s VAL 58 Ca 0.51 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2iuf s VAL 58 Cb -0.13 -2.12 -0.12 0.00 0.56 0.00 0.00 36.38 34.57 2iuf s VAL 58 CO 0.19 -0.52 1.43 -2.65 -0.31 0.00 0.00 175.10 173.24 2iuf n PRO 59 N -0.42 2.28 -1.43 4.82 -0.02 -1.26 -4.95 135.00 134.01 2iuf n PRO 59 Ca -0.07 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 2iuf n PRO 59 Cb 0.60 -2.48 0.09 0.00 -0.02 0.00 0.00 33.50 31.69 2iuf n PRO 59 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2iuf s GLU 60 N -0.91 2.20 0.36 -0.52 -1.05 -1.26 -4.84 118.70 112.68 2iuf s GLU 60 Ca 0.63 1.62 -0.27 0.00 -0.15 0.00 0.00 54.97 56.80 2iuf s GLU 60 Cb -0.58 -1.86 -0.12 0.00 -0.44 0.00 0.00 34.13 31.14 2iuf s GLU 60 CO 0.53 -1.76 1.18 0.54 0.95 0.00 0.00 175.26 176.71 2iuf n ARG 61 N -2.83 1.80 0.22 -4.83 1.74 -1.26 -4.87 116.66 106.63 2iuf n ARG 61 Ca 0.12 0.64 0.06 0.00 -0.77 0.00 0.00 57.85 57.90 2iuf n ARG 61 Cb 0.51 -2.19 0.50 0.00 -1.02 0.00 0.00 32.46 30.25 2iuf n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2iuf h ALA 62 N 2.18 1.49 -2.30 7.54 0.00 -1.98 -3.36 119.26 122.83 2iuf h ALA 62 Ca -0.45 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2iuf h ALA 62 Cb 1.31 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2iuf h ALA 62 CO 0.61 0.30 -0.69 0.14 0.00 0.00 0.00 179.25 179.61 2iuf s VAL 63 N -4.37 0.36 -1.30 0.00 -7.23 -1.26 -4.87 120.40 101.73 2iuf s VAL 63 Ca -0.03 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2iuf s VAL 63 Cb 0.15 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.61 2iuf s VAL 63 CO 0.68 -0.92 0.34 1.41 -0.31 0.00 0.00 175.10 176.30 2iuf n HIS 64 N 0.17 -1.34 0.02 2.82 -0.00 -0.21 -4.91 115.22 111.77 2iuf n HIS 64 Ca -0.14 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2iuf n HIS 64 Cb 0.60 -3.68 0.32 0.00 -0.00 0.00 0.00 29.99 27.23 2iuf n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2iuf h ALA 65 N 0.80 1.41 -2.40 -1.41 0.00 -1.71 -3.39 119.26 112.55 2iuf h ALA 65 Ca -0.42 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.62 2iuf h ALA 65 Cb 1.29 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 2iuf h ALA 65 CO 0.46 0.42 -0.18 0.50 0.00 0.00 0.00 179.25 180.44 2iuf s ARG 66 N -4.96 3.23 0.29 0.00 6.06 -1.25 -4.39 118.95 117.93 2iuf s ARG 66 Ca -0.07 -0.63 -0.20 0.00 -2.50 0.00 0.00 55.73 52.33 2iuf s ARG 66 Cb 0.16 -3.93 0.05 0.00 0.06 0.00 0.00 34.95 31.29 2iuf s ARG 66 CO 0.76 -0.80 0.83 0.20 -2.50 0.00 0.00 175.30 173.80 2iuf s GLY 67 N 1.81 0.10 -0.05 8.12 0.00 -1.26 -1.56 107.32 114.48 2iuf s GLY 67 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.39 2iuf s GLY 67 CO 0.14 0.22 0.13 -1.59 0.00 0.00 0.00 173.10 171.99 2iuf s THR 68 N -2.93 -0.00 0.23 0.90 2.01 0.28 -4.98 115.64 111.15 2iuf s THR 68 Ca 0.15 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.27 2iuf s THR 68 Cb -0.04 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 2iuf s THR 68 CO 0.08 0.01 -0.22 -0.83 -0.69 0.00 0.00 174.62 172.96 2iuf s GLY 69 N 0.14 1.77 -0.08 4.40 0.00 -1.26 -0.90 107.32 111.39 2iuf s GLY 69 Ca -0.01 -1.74 -0.17 0.00 0.00 0.00 0.00 44.72 42.80 2iuf s GLY 69 CO -0.00 -1.79 0.42 0.00 0.00 0.00 0.00 173.10 171.73 2iuf s ALA 70 N -2.06 -1.06 0.49 3.20 0.00 -0.27 -4.49 121.76 117.56 2iuf s ALA 70 Ca 0.24 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2iuf s ALA 70 Cb -0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 2iuf s ALA 70 CO 0.12 -0.26 0.91 -1.01 0.00 0.00 0.00 175.76 175.52 2iuf s HIS 71 N -0.66 3.49 0.00 0.00 3.76 0.15 -1.18 115.29 120.84 2iuf s HIS 71 Ca -0.08 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 2iuf s HIS 71 Cb -0.04 -2.64 0.00 0.00 1.11 0.00 0.00 32.58 31.02 2iuf s HIS 71 CO 0.04 -0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.02 2iuf n GLY 72 N -1.66 2.19 2.99 -2.22 0.00 -0.40 -1.06 105.19 105.04 2iuf n GLY 72 Ca 0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2iuf n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuf s THR 73 N -2.42 -0.03 -0.12 2.61 2.01 -0.24 -0.82 115.64 116.63 2iuf s THR 73 Ca 0.00 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 2iuf s THR 73 Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2iuf s THR 73 CO 0.00 0.04 0.09 0.12 -0.69 0.00 0.00 174.62 174.19 2iuf s PHE 74 N 0.76 3.43 -0.11 4.92 5.36 0.16 -1.26 117.98 131.25 2iuf s PHE 74 Ca -0.06 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 2iuf s PHE 74 Cb -0.07 -1.92 0.02 0.00 -0.34 0.00 0.00 43.02 40.70 2iuf s PHE 74 CO -0.04 0.58 -0.14 0.99 -1.46 0.00 0.00 175.22 175.15 2iuf s THR 75 N -0.78 1.43 0.30 0.12 2.01 0.16 -0.90 115.64 117.97 2iuf s THR 75 Ca 0.13 -0.60 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 2iuf s THR 75 Cb -0.12 -1.31 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 2iuf s THR 75 CO 0.03 0.43 1.06 -0.55 -0.69 0.00 0.00 174.62 174.89 2iuf s SER 76 N 1.04 7.20 0.00 3.53 0.15 -0.13 -0.79 113.70 124.71 2iuf s SER 76 Ca -0.06 2.15 0.25 0.00 0.70 0.00 0.00 55.95 58.99 2iuf s SER 76 Cb -0.15 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.01 2iuf s SER 76 CO -0.02 -0.18 1.38 -1.22 1.20 0.00 0.00 173.24 174.40 2iuf n TYR 77 N 0.91 0.00 -3.87 3.44 4.01 -0.04 -0.52 117.16 121.09 2iuf n TYR 77 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2iuf n TYR 77 Cb 0.46 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2iuf n TYR 77 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2iuf s GLY 78 N -2.50 0.37 -0.49 2.72 0.00 -1.26 -4.67 107.32 101.49 2iuf s GLY 78 Ca 0.22 -0.72 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 2iuf s GLY 78 CO 0.55 -0.34 0.67 -0.35 0.00 0.00 0.00 173.10 173.62 2iuf s ASP 79 N -3.04 6.26 -0.20 1.64 -1.08 -1.26 -2.71 116.67 116.28 2iuf s ASP 79 Ca 0.16 -0.68 0.13 0.00 -0.52 0.00 0.00 52.55 51.64 2iuf s ASP 79 Cb -0.05 -2.32 0.71 0.00 -1.46 0.00 0.00 42.92 39.81 2iuf s ASP 79 CO 0.11 -0.91 1.59 0.79 0.52 0.00 0.00 175.17 177.27 2iuf n TRP 80 N 6.38 1.78 0.32 -5.34 7.02 -0.21 -4.63 117.44 122.75 2iuf n TRP 80 Ca -0.04 -0.62 0.18 0.00 -1.02 0.00 0.00 57.50 56.00 2iuf n TRP 80 Cb 0.46 -0.44 1.05 0.00 -2.42 0.00 0.00 31.31 29.96 2iuf n TRP 80 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2iuf h SER 81 N 3.52 0.00 0.88 -0.99 4.64 -1.77 0.15 113.55 119.98 2iuf h SER 81 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 81 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 2iuf h SER 81 CO 0.41 0.00 -0.01 0.59 -0.87 0.00 0.00 176.83 176.95 2iuf n ASN 82 N -3.51 0.02 -0.08 4.97 3.02 -1.26 -3.78 115.26 114.64 2iuf n ASN 82 Ca -0.03 0.32 -0.11 0.00 -0.03 0.00 0.00 54.58 54.73 2iuf n ASN 82 Cb 0.08 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 2iuf n ASN 82 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2iuf n LEU 83 N -1.44 2.85 -3.72 3.41 7.94 0.24 -4.92 117.00 121.36 2iuf n LEU 83 Ca 0.09 -0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 2iuf n LEU 83 Cb 0.32 -0.54 -0.09 0.00 0.53 0.00 0.00 43.42 43.64 2iuf n LEU 83 CO 0.26 0.73 0.10 0.28 -1.11 0.00 0.00 177.39 177.65 2iuf s THR 84 N -2.31 0.03 -2.04 1.96 -1.32 0.26 -3.92 115.64 108.30 2iuf s THR 84 Ca -0.21 -0.21 0.31 0.00 -1.21 0.00 0.00 61.69 60.37 2iuf s THR 84 Cb 0.06 -0.64 0.85 0.00 -1.51 0.00 0.00 72.50 71.25 2iuf s THR 84 CO 0.35 -0.12 2.16 0.00 -2.21 0.00 0.00 174.62 174.80 2iuf n ALA 85 N 1.93 2.67 -1.68 11.08 0.00 -0.26 -3.75 120.51 130.50 2iuf n ALA 85 Ca -0.18 -0.23 -0.46 0.00 0.00 0.00 0.00 53.44 52.57 2iuf n ALA 85 Cb 0.57 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 2iuf n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iuf n ALA 86 N -0.86 1.23 0.08 0.00 0.00 -1.20 -4.69 120.51 115.06 2iuf n ALA 86 Ca 0.23 0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.97 2iuf n ALA 86 Cb 0.15 -2.53 0.34 0.00 0.00 0.00 0.00 19.45 17.41 2iuf n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2iuf h SER 87 N 9.06 0.32 0.43 0.00 0.87 -1.91 -1.54 113.55 120.77 2iuf h SER 87 Ca -0.48 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2iuf h SER 87 Cb 1.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2iuf h SER 87 CO 0.94 0.47 0.00 2.22 -0.53 0.00 0.00 176.83 179.93 2iuf n PHE 88 N -4.26 0.01 -1.04 2.24 -1.74 -1.26 -1.63 117.46 109.79 2iuf n PHE 88 Ca -0.00 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.97 2iuf n PHE 88 Cb 0.28 -0.51 0.24 0.00 1.52 0.00 0.00 39.48 41.01 2iuf n PHE 88 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2iuf n LEU 89 N -1.51 3.72 0.03 5.98 4.77 -0.58 -4.63 117.00 124.78 2iuf n LEU 89 Ca 0.03 -3.08 0.12 0.00 -0.03 0.00 0.00 56.01 53.05 2iuf n LEU 89 Cb 0.15 -0.54 0.32 0.00 -2.33 0.00 0.00 43.42 41.01 2iuf n LEU 89 CO 0.12 0.72 0.56 -1.54 -1.33 0.00 0.00 177.39 175.91 2iuf n SER 90 N -0.67 0.48 -3.64 -1.43 3.41 -0.64 -1.05 113.62 110.08 2iuf n SER 90 Ca 0.22 0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2iuf n SER 90 Cb 0.87 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.74 2iuf n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iuf s ALA 91 N -3.06 -1.52 0.15 7.33 0.00 -1.17 -4.42 121.76 119.08 2iuf s ALA 91 Ca 0.10 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.24 2iuf s ALA 91 Cb 0.16 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 2iuf s ALA 91 CO 0.66 -0.31 1.67 -2.00 0.00 0.00 0.00 175.76 175.78 2iuf s GLU 92 N -0.24 4.17 0.00 0.00 2.12 -1.10 -2.26 118.70 121.40 2iuf s GLU 92 Ca -0.04 2.46 0.00 0.00 0.36 0.00 0.00 54.97 57.75 2iuf s GLU 92 Cb -0.03 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2iuf s GLU 92 CO 0.04 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 2iuf n GLY 93 N 3.94 1.21 3.70 -1.50 0.00 0.33 -4.91 105.19 107.95 2iuf n GLY 93 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2iuf n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iuf s LYS 94 N -0.58 4.27 -0.10 1.61 2.20 -0.96 -4.68 119.74 121.50 2iuf s LYS 94 Ca 0.00 2.08 -0.06 0.00 -0.36 0.00 0.00 55.97 57.64 2iuf s LYS 94 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2iuf s LYS 94 CO 0.00 -0.57 0.12 -1.21 -0.36 0.00 0.00 175.35 173.33 2iuf s GLU 95 N 2.08 3.36 -0.03 4.03 2.02 -1.26 -0.96 118.70 127.95 2iuf s GLU 95 Ca 0.66 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.46 2iuf s GLU 95 Cb -0.35 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 30.79 2iuf s GLU 95 CO 0.29 0.75 -0.04 0.99 0.02 0.00 0.00 175.26 177.27 2iuf s THR 96 N -1.04 0.48 0.65 3.63 2.01 -0.08 -4.98 115.64 116.30 2iuf s THR 96 Ca 0.16 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 2iuf s THR 96 Cb -0.12 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 2iuf s THR 96 CO 0.05 0.19 1.17 -2.84 -0.69 0.00 0.00 174.62 172.51 2iuf s PRO 97 N 0.67 2.72 0.06 4.92 0.02 -1.26 -0.66 135.00 141.47 2iuf s PRO 97 Ca -0.08 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.62 2iuf s PRO 97 Cb -0.12 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 2iuf s PRO 97 CO -0.00 -1.37 -0.07 -1.64 -0.33 0.00 0.00 177.00 173.59 2iuf s MET 98 N -3.70 0.64 -0.03 5.54 -1.94 -0.00 -1.17 119.30 118.64 2iuf s MET 98 Ca 0.73 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 2iuf s MET 98 Cb -0.27 -0.25 0.01 0.00 2.01 0.00 0.00 34.83 36.33 2iuf s MET 98 CO 0.38 0.02 -0.08 0.12 -0.01 0.00 0.00 175.02 175.46 2iuf s PHE 99 N -2.25 0.93 -0.04 -0.03 5.36 -0.87 -1.27 117.98 119.80 2iuf s PHE 99 Ca -0.02 -0.25 0.04 0.00 -0.96 0.00 0.00 56.93 55.74 2iuf s PHE 99 Cb -0.04 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.94 2iuf s PHE 99 CO -0.02 -0.14 -0.14 0.99 -1.46 0.00 0.00 175.22 174.46 2iuf s THR 100 N 0.41 1.20 -0.08 0.12 2.01 -0.32 -0.80 115.64 118.18 2iuf s THR 100 Ca -0.06 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2iuf s THR 100 Cb -0.11 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2iuf s THR 100 CO 0.01 0.35 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.48 2iuf s ARG 101 N 0.14 2.64 0.16 4.92 3.52 -0.37 -1.12 118.95 128.84 2iuf s ARG 101 Ca -0.05 -0.77 0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2iuf s ARG 101 Cb -0.11 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2iuf s ARG 101 CO 0.02 0.17 0.13 -0.06 -0.81 0.00 0.00 175.30 174.75 2iuf s PHE 102 N 0.33 3.15 0.17 5.12 0.08 -0.08 -1.14 117.98 125.62 2iuf s PHE 102 Ca -0.15 -0.01 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 2iuf s PHE 102 Cb -0.17 -1.52 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 2iuf s PHE 102 CO 0.07 0.52 0.85 -1.54 -0.10 0.00 0.00 175.22 175.02 2iuf s SER 103 N -3.04 -0.26 0.26 1.36 1.04 -0.96 -0.55 113.70 111.55 2iuf s SER 103 Ca 0.31 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2iuf s SER 103 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2iuf s SER 103 CO 0.23 -0.99 0.00 0.35 0.98 0.00 0.00 173.24 173.81 2iuf n THR 104 N -0.43 0.00 0.02 2.02 -2.24 -0.60 -0.82 114.28 112.23 2iuf n THR 104 Ca -0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 2iuf n THR 104 Cb 0.61 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 2iuf n THR 104 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2iuf n VAL 105 N -0.86 0.80 0.06 2.28 0.31 -1.23 -3.81 118.33 115.89 2iuf n VAL 105 Ca 0.00 0.21 -0.17 0.00 -0.01 0.00 0.00 64.34 64.38 2iuf n VAL 105 Cb 0.00 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 2iuf n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2iuf h ALA 106 N -0.09 0.30 -2.70 3.52 0.00 -1.96 -0.55 119.26 117.78 2iuf h ALA 106 Ca -0.03 -1.13 -0.51 0.00 0.00 0.00 0.00 54.91 53.24 2iuf h ALA 106 Cb 0.49 0.30 0.09 0.00 0.00 0.00 0.00 17.79 18.66 2iuf h ALA 106 CO -0.02 1.16 0.46 0.20 0.00 0.00 0.00 179.25 181.05 2iuf s GLY 107 N -4.98 2.70 0.98 0.00 0.00 -1.26 -4.63 107.32 100.12 2iuf s GLY 107 Ca -0.09 0.92 -0.14 0.00 0.00 0.00 0.00 44.72 45.40 2iuf s GLY 107 CO 0.85 1.30 1.15 -0.56 0.00 0.00 0.00 173.10 175.84 2iuf s SER 108 N -1.63 2.91 -0.24 1.64 0.01 -1.26 -3.90 113.70 111.23 2iuf s SER 108 Ca 0.73 0.84 -0.36 0.00 1.31 0.00 0.00 55.95 58.47 2iuf s SER 108 Cb -0.27 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.54 2iuf s SER 108 CO 0.30 -2.91 1.99 0.54 0.41 0.00 0.00 173.24 173.57 2iuf n ARG 109 N -3.98 1.51 0.00 12.44 1.74 -1.26 -1.65 116.66 125.45 2iuf n ARG 109 Ca 0.09 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2iuf n ARG 109 Cb 0.59 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2iuf n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iuf n GLY 110 N 5.25 1.26 3.71 -0.13 0.00 -1.26 -5.04 105.19 108.97 2iuf n GLY 110 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2iuf n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iuf s SER 111 N -1.23 3.48 0.30 1.61 1.04 -0.66 -4.96 113.70 113.29 2iuf s SER 111 Ca 0.00 1.67 -0.29 0.00 0.48 0.00 0.00 55.95 57.81 2iuf s SER 111 Cb 0.00 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.70 2iuf s SER 111 CO 0.00 -2.66 1.19 0.00 0.98 0.00 0.00 173.24 172.75 2iuf s ALA 112 N -2.85 3.45 0.24 5.32 0.00 -1.26 -4.92 121.76 121.73 2iuf s ALA 112 Ca 0.64 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 2iuf s ALA 112 Cb -0.19 -3.40 0.41 0.00 0.00 0.00 0.00 23.12 19.94 2iuf s ALA 112 CO 0.57 -0.37 1.75 -0.44 0.00 0.00 0.00 175.76 177.27 2iuf h ASP 113 N 3.68 0.33 -0.57 0.00 3.32 -1.49 -2.99 116.42 118.70 2iuf h ASP 113 Ca -0.48 0.09 -0.25 0.00 0.02 0.00 0.00 57.03 56.41 2iuf h ASP 113 Cb 1.22 0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.67 2iuf h ASP 113 CO 0.67 0.16 0.32 0.35 -1.72 0.00 0.00 179.24 179.01 2iuf n THR 114 N -4.96 2.26 -1.69 0.35 -2.24 -1.26 -4.89 114.28 101.86 2iuf n THR 114 Ca 0.13 -1.15 -0.38 0.00 -2.27 0.00 0.00 64.05 60.38 2iuf n THR 114 Cb 0.36 -0.59 0.05 0.00 -2.10 0.00 0.00 70.33 68.06 2iuf n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iuf n ALA 115 N -0.32 0.89 -2.54 6.98 0.00 -1.13 -4.59 120.51 119.79 2iuf n ALA 115 Ca 0.33 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2iuf n ALA 115 Cb 1.16 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2iuf n ALA 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2iuf s ARG 116 N -2.98 4.42 0.09 0.00 3.52 -1.26 -4.76 118.95 117.98 2iuf s ARG 116 Ca 0.77 1.60 -0.27 0.00 -0.13 0.00 0.00 55.73 57.70 2iuf s ARG 116 Cb -0.41 -3.49 0.08 0.00 -1.56 0.00 0.00 34.95 29.58 2iuf s ARG 116 CO 0.45 -0.31 1.03 0.34 -0.81 0.00 0.00 175.30 176.01 2iuf s ASP 117 N 1.23 -0.17 0.56 -2.12 -1.08 -0.48 -4.79 116.67 109.81 2iuf s ASP 117 Ca 0.54 -0.29 -0.20 0.00 -0.52 0.00 0.00 52.55 52.08 2iuf s ASP 117 Cb -0.24 0.39 -0.05 0.00 -1.46 0.00 0.00 42.92 41.57 2iuf s ASP 117 CO 0.24 -0.72 1.20 -0.69 0.52 0.00 0.00 175.17 175.72 2iuf s VAL 118 N -3.05 2.78 -0.04 1.11 1.01 -1.26 -4.30 120.40 116.64 2iuf s VAL 118 Ca 0.12 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2iuf s VAL 118 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2iuf s VAL 118 CO -0.00 -0.08 -0.21 -1.00 0.00 0.00 0.00 175.10 173.80 2iuf s HIS 119 N -1.60 2.50 0.49 5.22 3.76 -1.26 -3.47 115.29 120.93 2iuf s HIS 119 Ca 0.74 -0.44 -0.19 0.00 -0.15 0.00 0.00 55.06 55.02 2iuf s HIS 119 Cb -0.30 -1.58 -0.09 0.00 1.11 0.00 0.00 32.58 31.72 2iuf s HIS 119 CO 0.33 -0.03 0.99 0.20 -0.85 0.00 0.00 174.74 175.39 2iuf s GLY 120 N -0.48 2.28 -0.43 -2.22 0.00 0.00 -0.53 107.32 105.94 2iuf s GLY 120 Ca 0.06 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.19 2iuf s GLY 120 CO 0.01 0.66 0.49 -0.12 0.00 0.00 0.00 173.10 174.14 2iuf s PHE 121 N -2.32 -0.38 -0.28 1.90 2.19 0.24 -2.26 117.98 117.07 2iuf s PHE 121 Ca 0.62 -1.13 -0.08 0.00 0.33 0.00 0.00 56.93 56.67 2iuf s PHE 121 Cb -0.11 -0.29 -0.01 0.00 -1.31 0.00 0.00 43.02 41.30 2iuf s PHE 121 CO 0.23 -1.04 0.09 0.00 1.83 0.00 0.00 175.22 176.34 2iuf s ALA 122 N 0.87 3.15 -0.16 11.12 0.00 -0.29 -1.38 121.76 135.06 2iuf s ALA 122 Ca 0.26 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2iuf s ALA 122 Cb -0.04 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.92 2iuf s ALA 122 CO -0.09 -0.74 -0.20 0.95 0.00 0.00 0.00 175.76 175.68 2iuf s THR 123 N 1.57 1.98 -0.19 0.00 -4.23 -0.41 -1.24 115.64 113.13 2iuf s THR 123 Ca 0.05 -0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.56 2iuf s THR 123 Cb -0.16 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 2iuf s THR 123 CO 0.04 0.53 0.12 -0.60 -0.54 0.00 0.00 174.62 174.17 2iuf s ARG 124 N 1.16 4.08 -0.28 3.99 3.52 0.02 -1.24 118.95 130.21 2iuf s ARG 124 Ca 0.01 -0.23 -0.08 0.00 -0.13 0.00 0.00 55.73 55.30 2iuf s ARG 124 Cb -0.14 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2iuf s ARG 124 CO -0.09 0.35 0.10 -0.06 -0.81 0.00 0.00 175.30 174.79 2iuf s PHE 125 N 0.22 3.13 -1.34 5.12 0.40 0.54 -2.06 117.98 123.99 2iuf s PHE 125 Ca 0.08 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 2iuf s PHE 125 Cb -0.11 -2.28 0.10 0.00 0.51 0.00 0.00 43.02 41.23 2iuf s PHE 125 CO -0.01 -0.43 1.93 0.66 0.70 0.00 0.00 175.22 178.07 2iuf n TYR 126 N 4.94 3.78 -1.69 0.36 4.01 -0.31 -0.98 117.16 127.27 2iuf n TYR 126 Ca -0.15 -2.95 -0.31 0.00 -0.16 0.00 0.00 57.90 54.33 2iuf n TYR 126 Cb 0.50 -2.35 0.05 0.00 -0.31 0.00 0.00 39.34 37.23 2iuf n TYR 126 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2iuf s THR 127 N 2.38 3.87 -2.00 -0.72 -4.23 -0.95 -4.40 115.64 109.59 2iuf s THR 127 Ca 0.46 0.61 0.22 0.00 -1.18 0.00 0.00 61.69 61.80 2iuf s THR 127 Cb 0.09 -3.45 0.63 0.00 1.34 0.00 0.00 72.50 71.10 2iuf s THR 127 CO -0.02 -0.79 1.70 -0.90 -0.54 0.00 0.00 174.62 174.06 2iuf n ASP 128 N -3.09 0.00 -0.75 3.99 3.85 -1.26 -2.04 116.55 117.25 2iuf n ASP 128 Ca 0.07 -0.73 0.06 0.00 -0.71 0.00 0.00 54.79 53.48 2iuf n ASP 128 Cb 0.55 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.46 2iuf n ASP 128 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2iuf n GLU 129 N -0.99 1.07 0.00 0.11 -0.58 -1.26 -4.82 120.64 114.17 2iuf n GLU 129 Ca 0.17 -2.77 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 2iuf n GLU 129 Cb 0.08 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2iuf n GLU 129 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2iuf n GLY 130 N -0.70 3.12 3.72 0.62 0.00 -0.86 -4.76 105.19 106.33 2iuf n GLY 130 Ca 0.14 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2iuf n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iuf s ASN 131 N 0.00 6.66 -0.16 1.61 0.01 -1.26 -2.23 114.94 119.57 2iuf s ASN 131 Ca 0.00 2.53 0.01 0.00 -0.71 0.00 0.00 52.86 54.69 2iuf s ASN 131 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2iuf s ASN 131 CO 0.00 -0.76 -0.17 0.12 -1.51 0.00 0.00 177.10 174.77 2iuf s PHE 132 N 1.05 2.48 -0.15 2.20 5.36 -0.15 -3.96 117.98 124.81 2iuf s PHE 132 Ca 0.68 -1.43 -0.02 0.00 -0.96 0.00 0.00 56.93 55.20 2iuf s PHE 132 Cb -0.41 -1.76 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2iuf s PHE 132 CO 0.32 -0.73 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.75 2iuf s ASP 133 N 1.36 4.33 -0.40 6.13 1.01 -0.50 -0.34 116.67 128.27 2iuf s ASP 133 Ca 0.04 -0.26 -0.07 0.00 0.71 0.00 0.00 52.55 52.97 2iuf s ASP 133 Cb -0.13 -1.69 0.08 0.00 1.01 0.00 0.00 42.92 42.19 2iuf s ASP 133 CO -0.11 0.15 0.21 -0.63 0.21 0.00 0.00 175.17 174.99 2iuf s ILE 134 N 0.48 3.91 -0.93 0.77 1.01 -0.37 -4.65 121.20 121.42 2iuf s ILE 134 Ca -0.07 -1.48 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 2iuf s ILE 134 Cb -0.15 -3.40 0.21 0.00 0.01 0.00 0.00 42.46 39.13 2iuf s ILE 134 CO 0.04 -0.46 0.94 -0.69 0.00 0.00 0.00 174.94 174.77 2iuf s VAL 135 N 1.36 5.49 0.07 2.92 1.01 -1.26 -1.29 120.40 128.69 2iuf s VAL 135 Ca 0.03 -2.50 0.01 0.00 0.00 0.00 0.00 61.98 59.52 2iuf s VAL 135 Cb -0.22 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.58 2iuf s VAL 135 CO 0.01 -1.19 0.05 0.61 0.00 0.00 0.00 175.10 174.58 2iuf n GLY 136 N 4.03 3.01 3.24 4.51 0.00 -0.48 -4.93 105.19 114.56 2iuf n GLY 136 Ca 0.19 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2iuf n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iuf s ASN 137 N -1.41 0.50 0.00 1.61 0.01 -0.59 -0.59 114.94 114.47 2iuf s ASN 137 Ca 0.04 -1.40 0.12 0.00 -0.71 0.00 0.00 52.86 50.91 2iuf s ASN 137 Cb -0.00 0.32 0.53 0.00 0.41 0.00 0.00 41.25 42.51 2iuf s ASN 137 CO 0.03 -0.82 1.37 -0.46 -1.51 0.00 0.00 177.10 175.71 2iuf n ASN 138 N -0.36 0.86 -4.03 -1.22 6.94 0.31 -0.43 115.26 117.33 2iuf n ASN 138 Ca 0.02 -1.78 -0.22 0.00 -0.02 0.00 0.00 54.58 52.57 2iuf n ASN 138 Cb 0.66 -0.08 -0.16 0.00 -2.36 0.00 0.00 39.78 37.84 2iuf n ASN 138 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2iuf s ILE 139 N -1.83 0.98 -1.37 1.53 1.01 -1.26 -4.68 121.20 115.57 2iuf s ILE 139 Ca 0.20 -0.45 0.30 0.00 0.00 0.00 0.00 60.65 60.70 2iuf s ILE 139 Cb 0.10 -0.87 0.45 0.00 0.01 0.00 0.00 42.46 42.15 2iuf s ILE 139 CO 0.16 0.30 1.98 -0.81 0.00 0.00 0.00 174.94 176.57 2iuf n PRO 140 N 3.41 0.38 -4.25 2.79 -0.04 -1.26 -4.76 135.00 131.27 2iuf n PRO 140 Ca -0.20 -0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.01 2iuf n PRO 140 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2iuf n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2iuf s VAL 141 N -2.65 1.54 0.34 0.52 -7.23 -1.26 -4.27 120.40 107.38 2iuf s VAL 141 Ca 0.25 -1.49 0.09 0.00 -1.81 0.00 0.00 61.98 59.02 2iuf s VAL 141 Cb 0.20 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 2iuf s VAL 141 CO 0.48 -0.12 0.07 0.12 -0.31 0.00 0.00 175.10 175.34 2iuf s PHE 142 N -1.25 2.63 0.32 2.82 5.36 -0.08 -4.65 117.98 123.12 2iuf s PHE 142 Ca 0.04 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 55.68 2iuf s PHE 142 Cb -0.10 -1.55 0.54 0.00 -0.34 0.00 0.00 43.02 41.57 2iuf s PHE 142 CO 0.04 0.42 1.76 0.74 -1.46 0.00 0.00 175.22 176.71 2iuf h PHE 143 N 1.69 0.30 -3.31 10.12 0.04 -1.87 -3.38 116.94 120.53 2iuf h PHE 143 Ca -0.43 -0.07 -0.35 0.00 2.80 0.00 0.00 57.97 59.93 2iuf h PHE 143 Cb 1.25 -0.07 -0.15 0.00 2.20 0.00 0.00 35.95 39.18 2iuf h PHE 143 CO 0.66 0.56 -0.72 0.96 -0.60 0.00 0.00 178.31 179.18 2iuf s ILE 144 N -4.33 1.26 -1.45 -0.55 -4.36 -1.26 -1.80 121.20 108.70 2iuf s ILE 144 Ca -0.05 -2.08 0.17 0.00 -0.26 0.00 0.00 60.65 58.42 2iuf s ILE 144 Cb 0.14 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 2iuf s ILE 144 CO 0.76 -0.72 0.86 0.00 0.24 0.00 0.00 174.94 176.08 2iuf n GLN 145 N -0.22 1.64 -3.75 0.37 6.02 -1.26 -4.72 117.38 115.46 2iuf n GLN 145 Ca -0.10 -0.74 -0.13 0.00 -0.01 0.00 0.00 57.00 56.02 2iuf n GLN 145 Cb 0.61 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 2iuf n GLN 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2iuf s ASP 146 N -2.02 -0.15 0.56 1.08 -1.08 -1.26 -3.66 116.67 110.14 2iuf s ASP 146 Ca 0.13 0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.78 2iuf s ASP 146 Cb 0.13 0.25 1.50 0.00 -1.46 0.00 0.00 42.92 43.34 2iuf s ASP 146 CO 0.45 -0.15 2.03 0.00 0.52 0.00 0.00 175.17 178.03 2iuf h ALA 147 N 7.14 2.15 0.00 3.66 0.00 -1.69 -1.82 119.26 128.69 2iuf h ALA 147 Ca -0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2iuf h ALA 147 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2iuf h ALA 147 CO 0.41 -0.47 -0.09 0.97 0.00 0.00 0.00 179.25 180.07 2iuf h ILE 148 N 0.00 0.41 0.00 0.00 2.10 -1.94 -1.51 117.51 116.57 2iuf h ILE 148 Ca 0.16 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.64 2iuf h ILE 148 Cb 0.75 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2iuf h ILE 148 CO -0.00 0.09 0.00 0.18 -1.08 0.00 0.00 178.15 177.33 2iuf n LEU 149 N -3.49 0.00 -0.18 2.19 4.77 -0.68 -4.38 117.00 115.23 2iuf n LEU 149 Ca -0.02 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.19 2iuf n LEU 149 Cb 0.22 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2iuf n LEU 149 CO 0.28 -0.01 1.04 0.15 -1.33 0.00 0.00 177.39 177.52 2iuf h PHE 150 N 0.00 0.53 0.00 -1.77 3.57 -1.42 -1.06 116.94 116.79 2iuf h PHE 150 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2iuf h PHE 150 Cb 0.26 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2iuf h PHE 150 CO 0.00 0.27 -0.15 -1.35 -2.23 0.00 0.00 178.31 174.85 2iuf h PRO 151 N 0.56 0.00 0.05 6.41 0.11 -1.82 -0.17 132.00 137.14 2iuf h PRO 151 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 2iuf h PRO 151 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2iuf h PRO 151 CO -0.14 0.15 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.33 2iuf h ASP 152 N 0.00 -0.06 -0.19 -2.05 5.19 -1.51 0.10 116.42 117.90 2iuf h ASP 152 Ca -0.00 -0.43 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 2iuf h ASP 152 Cb 0.30 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2iuf h ASP 152 CO 0.02 0.41 0.05 0.25 -3.12 0.00 0.00 179.24 176.85 2iuf h LEU 153 N -0.55 0.04 -0.14 1.55 5.85 -1.01 -1.53 115.31 119.50 2iuf h LEU 153 Ca -0.01 0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.51 2iuf h LEU 153 Cb 0.49 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2iuf h LEU 153 CO 0.01 0.05 -0.81 0.40 -0.34 0.00 0.00 178.44 177.75 2iuf h ILE 154 N 0.13 1.28 -0.43 4.05 1.08 -1.05 -1.88 117.51 120.69 2iuf h ILE 154 Ca 0.08 -2.01 0.01 0.00 -0.39 0.00 0.00 64.86 62.56 2iuf h ILE 154 Cb 0.07 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 2iuf h ILE 154 CO -0.10 0.64 0.28 0.45 -0.69 0.00 0.00 178.15 178.73 2iuf h HIS 155 N 0.52 0.51 -0.12 1.37 3.86 -0.74 0.24 115.15 120.78 2iuf h HIS 155 Ca -0.06 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 58.96 2iuf h HIS 155 Cb 1.44 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2iuf h HIS 155 CO 0.09 0.31 -0.72 0.00 0.86 0.00 0.00 177.93 178.47 2iuf h ALA 156 N 1.74 0.50 0.21 2.45 0.00 -0.94 -3.29 119.26 119.93 2iuf h ALA 156 Ca 0.16 -0.59 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2iuf h ALA 156 Cb -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.76 2iuf h ALA 156 CO -0.04 0.73 -1.48 0.28 0.00 0.00 0.00 179.25 178.74 2iuf h VAL 157 N 0.40 1.27 -3.78 0.00 2.07 -1.08 -2.58 116.25 112.55 2iuf h VAL 157 Ca -0.03 -2.76 -0.44 0.00 0.82 0.00 0.00 66.70 64.28 2iuf h VAL 157 Cb 1.32 2.96 0.17 0.00 -1.52 0.00 0.00 31.29 34.22 2iuf h VAL 157 CO 0.14 0.84 0.18 -0.54 0.02 0.00 0.00 177.57 178.20 2iuf s LYS 158 N -2.61 -0.05 0.74 1.57 1.02 0.05 -4.60 119.74 115.86 2iuf s LYS 158 Ca -0.09 0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 2iuf s LYS 158 Cb 0.05 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 2iuf s LYS 158 CO 0.91 -3.01 1.13 -2.30 -0.92 0.00 0.00 175.35 171.16 2iuf n PRO 159 N -4.34 0.51 -1.65 -1.68 -0.02 -1.25 -4.84 135.00 121.72 2iuf n PRO 159 Ca 0.07 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 2iuf n PRO 159 Cb 0.58 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2iuf n PRO 159 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2iuf n ARG 160 N -2.43 1.32 0.25 -0.52 0.63 -0.37 -4.75 116.66 110.79 2iuf n ARG 160 Ca 0.14 0.49 0.12 0.00 -0.92 0.00 0.00 57.85 57.68 2iuf n ARG 160 Cb 0.50 -2.24 0.66 0.00 0.45 0.00 0.00 32.46 31.83 2iuf n ARG 160 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2iuf h GLY 161 N 1.17 0.00 0.74 5.14 0.00 -1.91 -0.89 103.07 107.32 2iuf h GLY 161 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 2iuf h GLY 161 CO 0.55 0.00 -1.32 1.29 0.00 0.00 0.00 176.54 177.06 2iuf h ASP 162 N 0.00 0.50 0.00 0.19 2.03 -1.97 -3.41 116.42 113.77 2iuf h ASP 162 Ca -0.00 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 55.40 2iuf h ASP 162 Cb 0.45 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2iuf h ASP 162 CO 0.02 1.60 0.00 -0.46 -1.03 0.00 0.00 179.24 179.37 2iuf n ASN 163 N -3.90 0.89 -3.89 4.15 0.23 -1.22 -5.02 115.26 106.50 2iuf n ASN 163 Ca -0.21 -1.04 -0.26 0.00 -0.53 0.00 0.00 54.58 52.55 2iuf n ASN 163 Cb 0.93 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 2iuf n ASN 163 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2iuf n GLN 164 N -0.02 -4.10 -4.86 -3.83 7.27 -0.34 -4.97 117.38 106.52 2iuf n GLN 164 Ca 0.00 0.50 -0.26 0.00 0.07 0.00 0.00 57.00 57.31 2iuf n GLN 164 Cb 0.05 -4.92 -0.15 0.00 2.41 0.00 0.00 30.24 27.63 2iuf n GLN 164 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2iuf s ILE 165 N -3.72 1.52 0.14 1.69 1.01 -1.26 -4.58 121.20 116.00 2iuf s ILE 165 Ca 0.16 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2iuf s ILE 165 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2iuf s ILE 165 CO 0.86 0.38 0.18 -2.16 0.00 0.00 0.00 174.94 174.20 2iuf s PRO 166 N -0.58 3.12 0.17 2.79 0.04 -1.26 -1.24 135.00 138.04 2iuf s PRO 166 Ca 0.07 -0.72 -0.30 0.00 0.04 0.00 0.00 61.00 60.09 2iuf s PRO 166 Cb -0.08 -2.80 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 2iuf s PRO 166 CO -0.00 0.52 1.23 -1.14 0.04 0.00 0.00 177.00 177.64 2iuf s GLN 167 N -3.00 4.46 -1.34 4.56 2.00 -1.26 -3.96 119.66 121.12 2iuf s GLN 167 Ca 0.32 1.90 -0.04 0.00 -2.00 0.00 0.00 55.36 55.55 2iuf s GLN 167 Cb -0.11 -3.25 -0.00 0.00 0.80 0.00 0.00 33.01 30.45 2iuf s GLN 167 CO 0.25 -0.16 0.54 0.00 -0.50 0.00 0.00 175.29 175.42 2iuf n ALA 168 N 2.77 -2.11 -3.53 1.58 0.00 -1.26 -4.93 120.51 113.03 2iuf n ALA 168 Ca 0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2iuf n ALA 168 Cb 0.44 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 2iuf n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iuf s ALA 169 N -3.82 -1.59 -2.35 0.00 0.00 -1.26 -4.58 121.76 108.16 2iuf s ALA 169 Ca 0.08 1.68 0.26 0.00 0.00 0.00 0.00 51.96 53.98 2iuf s ALA 169 Cb -0.03 -0.84 0.58 0.00 0.00 0.00 0.00 23.12 22.82 2iuf s ALA 169 CO 0.87 -0.31 1.46 0.25 0.00 0.00 0.00 175.76 178.03 2iuf n THR 170 N 2.38 0.00 -1.36 0.00 -2.24 -1.26 -4.74 114.28 107.06 2iuf n THR 170 Ca -0.15 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 2iuf n THR 170 Cb 0.56 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 2iuf n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iuf n ALA 171 N 0.22 7.12 -3.30 6.98 0.00 -1.26 -4.49 120.51 125.78 2iuf n ALA 171 Ca 0.14 -3.53 -0.12 0.00 0.00 0.00 0.00 53.44 49.93 2iuf n ALA 171 Cb 0.43 -3.39 -0.03 0.00 0.00 0.00 0.00 19.45 16.46 2iuf n ALA 171 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2iuf s HIS 172 N 2.40 -0.44 0.22 0.00 -0.00 -1.26 -4.79 115.29 111.41 2iuf s HIS 172 Ca 0.65 0.28 -0.09 0.00 -0.00 0.00 0.00 55.06 55.89 2iuf s HIS 172 Cb 0.17 0.45 0.33 0.00 -0.00 0.00 0.00 32.58 33.52 2iuf s HIS 172 CO -0.06 -0.77 1.67 -0.44 -0.00 0.00 0.00 174.74 175.14 2iuf h ASP 173 N 2.25 -0.17 -0.53 7.38 5.19 -1.87 -2.69 116.42 125.98 2iuf h ASP 173 Ca -0.33 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.18 2iuf h ASP 173 Cb 1.27 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.99 2iuf h ASP 173 CO 0.41 -0.08 0.17 0.77 -3.12 0.00 0.00 179.24 177.38 2iuf h SER 174 N 0.17 0.81 0.01 6.45 4.64 -1.93 0.60 113.55 124.30 2iuf h SER 174 Ca 0.34 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2iuf h SER 174 Cb 0.55 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2iuf h SER 174 CO -0.50 0.78 -0.01 0.00 -0.87 0.00 0.00 176.83 176.23 2iuf h ALA 175 N 1.33 -0.02 0.00 5.18 0.00 -1.11 -0.78 119.26 123.87 2iuf h ALA 175 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2iuf h ALA 175 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2iuf h ALA 175 CO -0.01 -0.39 -0.40 -1.49 0.00 0.00 0.00 179.25 176.97 2iuf h TRP 176 N -0.26 0.00 0.04 0.00 4.06 -1.48 -0.72 115.95 117.58 2iuf h TRP 176 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2iuf h TRP 176 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2iuf h TRP 176 CO 0.01 0.40 -0.02 0.22 -3.56 0.00 0.00 178.44 175.49 2iuf h ASP 177 N 0.00 -0.04 -0.48 -3.49 3.58 -0.69 -1.76 116.42 113.54 2iuf h ASP 177 Ca -0.00 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2iuf h ASP 177 Cb 0.90 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2iuf h ASP 177 CO 0.05 0.04 0.18 0.15 -2.88 0.00 0.00 179.24 176.79 2iuf h PHE 178 N -0.12 0.74 -0.78 0.28 3.57 -0.70 -0.92 116.94 119.01 2iuf h PHE 178 Ca -0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2iuf h PHE 178 Cb 0.11 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2iuf h PHE 178 CO -0.05 0.63 0.44 0.74 -2.23 0.00 0.00 178.31 177.83 2iuf h PHE 179 N 0.63 1.04 0.00 0.41 0.04 -1.05 0.69 116.94 118.71 2iuf h PHE 179 Ca 0.16 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.73 2iuf h PHE 179 Cb 0.21 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2iuf h PHE 179 CO 0.01 0.72 -0.86 0.66 -0.60 0.00 0.00 178.31 178.23 2iuf h SER 180 N 1.08 0.00 1.86 2.17 4.64 -1.06 -3.09 113.55 119.15 2iuf h SER 180 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 2iuf h SER 180 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2iuf h SER 180 CO -0.05 0.86 -0.14 1.56 -0.87 0.00 0.00 176.83 178.20 2iuf h GLN 181 N 0.00 0.00 -2.41 4.77 1.08 -0.80 -3.40 115.11 114.35 2iuf h GLN 181 Ca -0.01 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.60 2iuf h GLN 181 Cb 1.66 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.70 2iuf h GLN 181 CO 0.11 0.11 -0.89 0.94 -0.95 0.00 0.00 178.83 178.16 2iuf n GLN 182 N -3.12 0.87 0.00 1.46 -0.06 0.20 -4.99 117.38 111.75 2iuf n GLN 182 Ca 0.03 -3.60 0.04 0.00 -2.00 0.00 0.00 57.00 51.47 2iuf n GLN 182 Cb 0.58 -1.75 0.16 0.00 -4.06 0.00 0.00 30.24 25.16 2iuf n GLN 182 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2iuf n PRO 183 N 2.14 0.01 -0.28 3.69 -0.04 -1.20 -1.47 135.00 137.84 2iuf n PRO 183 Ca 0.26 0.37 0.29 0.00 -0.04 0.00 0.00 63.50 64.38 2iuf n PRO 183 Cb 0.46 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.08 2iuf n PRO 183 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2iuf h SER 184 N 0.00 0.15 0.03 3.54 4.64 -1.85 -1.67 113.55 118.38 2iuf h SER 184 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2iuf h SER 184 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2iuf h SER 184 CO 0.00 0.03 0.00 -0.37 -0.87 0.00 0.00 176.83 175.62 2iuf h VAL 185 N 0.13 0.00 -0.20 0.95 -1.51 -0.45 -3.33 116.25 111.83 2iuf h VAL 185 Ca 0.53 -0.01 -0.09 0.00 -1.23 0.00 0.00 66.70 65.90 2iuf h VAL 185 Cb 1.86 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 2iuf h VAL 185 CO -0.10 0.00 -0.27 -0.07 -1.23 0.00 0.00 177.57 175.90 2iuf h LEU 186 N 0.00 0.39 0.31 4.19 3.38 -1.55 -1.36 115.31 120.67 2iuf h LEU 186 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2iuf h LEU 186 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2iuf h LEU 186 CO 0.00 0.66 -0.15 -0.74 0.09 0.00 0.00 178.44 178.31 2iuf h HIS 187 N 0.34 -0.38 -0.75 1.13 2.76 -1.81 -1.75 115.15 114.69 2iuf h HIS 187 Ca 0.05 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2iuf h HIS 187 Cb 0.67 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.72 2iuf h HIS 187 CO 0.02 -0.12 0.39 1.15 -1.30 0.00 0.00 177.93 178.06 2iuf h THR 188 N -0.59 1.23 -0.35 6.26 2.02 -1.80 -2.30 112.91 117.38 2iuf h THR 188 Ca -0.04 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.58 2iuf h THR 188 Cb 0.43 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2iuf h THR 188 CO 0.07 0.26 0.06 0.25 0.37 0.00 0.00 175.52 176.54 2iuf h LEU 189 N 1.06 -0.01 -0.60 2.58 5.85 -1.06 -0.35 115.31 122.78 2iuf h LEU 189 Ca 0.26 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2iuf h LEU 189 Cb 0.06 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2iuf h LEU 189 CO -0.04 0.03 0.38 -0.07 -0.34 0.00 0.00 178.44 178.40 2iuf h LEU 190 N 0.18 0.71 -0.41 2.25 4.07 -0.93 -2.85 115.31 118.33 2iuf h LEU 190 Ca 0.17 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.15 2iuf h LEU 190 Cb 0.20 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 2iuf h LEU 190 CO -0.23 0.55 0.07 -0.50 -1.08 0.00 0.00 178.44 177.25 2iuf h TRP 191 N 0.82 0.11 0.00 1.13 4.06 -0.96 -0.46 115.95 120.65 2iuf h TRP 191 Ca 0.22 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.19 2iuf h TRP 191 Cb -0.05 0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2iuf h TRP 191 CO -0.02 -0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.86 2iuf n ALA 192 N -2.47 2.12 0.00 1.49 0.00 -0.18 -3.50 120.51 117.97 2iuf n ALA 192 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2iuf n ALA 192 Cb 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2iuf n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iuf n ALA 194 N 0.72 0.00 0.30 0.00 0.00 -0.18 -2.67 120.51 118.67 2iuf n ALA 194 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2iuf n ALA 194 Cb 0.30 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.63 2iuf n ALA 194 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2iuf h GLY 195 N 0.00 0.00 2.00 0.00 0.00 -1.89 -3.14 103.07 100.04 2iuf h GLY 195 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2iuf h GLY 195 CO 0.00 0.00 -0.05 0.45 0.00 0.00 0.00 176.54 176.94 2iuf h HIS 196 N 0.00 0.00 0.00 5.60 -0.00 -1.82 -1.46 115.15 117.46 2iuf h HIS 196 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2iuf h HIS 196 Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.74 2iuf h HIS 196 CO 0.00 0.05 -0.06 0.78 -0.00 0.00 0.00 177.93 178.70 2iuf h GLY 197 N 0.47 0.00 -5.96 2.45 0.00 -1.45 -3.39 103.07 95.19 2iuf h GLY 197 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2iuf h GLY 197 CO 0.01 0.00 -1.11 0.29 0.00 0.00 0.00 176.54 175.73 2iuf n ILE 198 N -3.19 -0.02 -2.08 2.60 -5.35 -0.55 -1.39 119.36 109.38 2iuf n ILE 198 Ca 0.00 -4.50 -0.34 0.00 -0.27 0.00 0.00 62.75 57.64 2iuf n ILE 198 Cb 0.34 -0.94 0.02 0.00 -1.74 0.00 0.00 39.64 37.31 2iuf n ILE 198 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2iuf s PRO 199 N -2.11 3.15 0.31 6.28 0.04 -1.22 -0.59 135.00 140.86 2iuf s PRO 199 Ca 0.39 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2iuf s PRO 199 Cb 0.28 -1.98 0.52 0.00 0.04 0.00 0.00 34.50 33.35 2iuf s PRO 199 CO -0.09 -1.00 1.78 -0.09 0.04 0.00 0.00 177.00 177.64 2iuf h ARG 200 N 0.80 0.41 -2.57 4.56 9.65 -1.30 -3.43 114.38 122.49 2iuf h ARG 200 Ca -0.49 -0.13 0.12 0.00 -1.10 0.00 0.00 59.98 58.38 2iuf h ARG 200 Cb 1.26 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.72 2iuf h ARG 200 CO 0.56 0.60 0.39 -1.54 2.80 0.00 0.00 179.97 182.78 2iuf s SER 201 N -6.82 -0.27 0.38 -3.80 1.04 -1.26 -5.01 113.70 97.96 2iuf s SER 201 Ca -0.06 -0.36 0.28 0.00 0.48 0.00 0.00 55.95 56.28 2iuf s SER 201 Cb 0.14 0.55 1.08 0.00 0.10 0.00 0.00 66.02 67.89 2iuf s SER 201 CO 0.77 -0.99 1.82 -0.26 0.98 0.00 0.00 173.24 175.56 2iuf h PHE 202 N 2.00 0.00 0.00 5.02 0.04 -1.98 -2.64 116.94 119.38 2iuf h PHE 202 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 2iuf h PHE 202 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2iuf h PHE 202 CO 0.36 0.00 -0.06 0.54 -0.60 0.00 0.00 178.31 178.55 2iuf n ARG 203 N -2.62 0.19 -1.52 1.51 1.74 -1.26 -3.91 116.66 110.80 2iuf n ARG 203 Ca 0.02 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.03 2iuf n ARG 203 Cb 0.29 -1.71 0.08 0.00 -1.02 0.00 0.00 32.46 30.11 2iuf n ARG 203 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2iuf n HIS 204 N -2.03 2.38 -4.24 -1.55 8.25 -1.00 -4.44 115.22 112.60 2iuf n HIS 204 Ca 0.06 -2.24 -0.13 0.00 -0.26 0.00 0.00 57.72 55.14 2iuf n HIS 204 Cb 0.40 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 2iuf n HIS 204 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2iuf s VAL 205 N -4.28 0.83 0.40 1.59 -7.23 -1.25 -2.40 120.40 108.05 2iuf s VAL 205 Ca 0.52 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2iuf s VAL 205 Cb 0.43 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 35.40 2iuf s VAL 205 CO 0.01 -0.62 0.56 0.20 -0.31 0.00 0.00 175.10 174.95 2iuf s ASN 206 N -3.16 5.80 0.28 4.85 0.01 -1.26 -4.40 114.94 117.05 2iuf s ASN 206 Ca 0.20 -0.13 0.11 0.00 -0.71 0.00 0.00 52.86 52.32 2iuf s ASN 206 Cb 0.05 -1.12 -0.05 0.00 0.41 0.00 0.00 41.25 40.54 2iuf s ASN 206 CO 0.02 -0.64 -0.16 -0.83 -1.51 0.00 0.00 177.10 173.98 2iuf s GLY 207 N -4.25 1.85 -0.08 0.66 0.00 -0.02 -4.18 107.32 101.30 2iuf s GLY 207 Ca 0.49 -1.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.27 2iuf s GLY 207 CO 0.34 -1.93 0.21 -1.36 0.00 0.00 0.00 173.10 170.35 2iuf s PHE 208 N -2.64 -0.24 0.16 1.90 0.08 0.43 -0.57 117.98 117.10 2iuf s PHE 208 Ca 0.29 0.58 0.30 0.00 0.12 0.00 0.00 56.93 58.22 2iuf s PHE 208 Cb -0.03 0.06 1.27 0.00 -0.57 0.00 0.00 43.02 43.76 2iuf s PHE 208 CO 0.14 -0.13 1.96 0.78 -0.10 0.00 0.00 175.22 177.86 2iuf h GLY 209 N 6.12 0.00 0.00 4.36 0.00 -1.61 -1.57 103.07 110.37 2iuf h GLY 209 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2iuf h GLY 209 CO 0.38 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 176.30 2iuf n VAL 210 N -3.24 0.00 -1.85 4.60 0.31 -1.26 -4.80 118.33 112.09 2iuf n VAL 210 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2iuf n VAL 210 Cb 0.33 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.29 2iuf n VAL 210 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2iuf s HIS 211 N 0.00 3.06 0.11 3.52 3.76 -1.26 -4.88 115.29 119.61 2iuf s HIS 211 Ca 0.00 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.08 2iuf s HIS 211 Cb 0.00 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.68 2iuf s HIS 211 CO 0.00 -1.13 1.14 0.99 -0.85 0.00 0.00 174.74 174.88 2iuf s THR 212 N -2.72 4.00 0.46 1.30 2.01 -1.26 -4.55 115.64 114.88 2iuf s THR 212 Ca 0.61 1.57 0.04 0.00 0.31 0.00 0.00 61.69 64.22 2iuf s THR 212 Cb -0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2iuf s THR 212 CO 0.45 0.19 0.01 -0.36 -0.69 0.00 0.00 174.62 174.22 2iuf s PHE 213 N 0.42 2.19 -0.06 4.92 0.40 -0.33 -4.20 117.98 121.32 2iuf s PHE 213 Ca 0.54 -0.82 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2iuf s PHE 213 Cb -0.29 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 2iuf s PHE 213 CO 0.32 0.33 -0.02 1.03 0.70 0.00 0.00 175.22 177.58 2iuf s ARG 214 N -3.80 2.84 -0.05 0.44 0.52 -0.16 -0.97 118.95 117.77 2iuf s ARG 214 Ca 0.20 -0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2iuf s ARG 214 Cb 0.06 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 2iuf s ARG 214 CO 0.10 0.67 0.02 -0.51 0.02 0.00 0.00 175.30 175.60 2iuf s LEU 215 N -1.04 3.66 -0.04 2.53 1.43 -0.27 -0.92 118.68 124.02 2iuf s LEU 215 Ca 0.15 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2iuf s LEU 215 Cb -0.11 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2iuf s LEU 215 CO 0.04 0.34 -0.04 -0.69 0.23 0.00 0.00 176.35 176.23 2iuf s VAL 216 N -1.00 0.48 0.72 -1.59 1.01 -0.12 -1.76 120.40 118.14 2iuf s VAL 216 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2iuf s VAL 216 Cb -0.12 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.82 2iuf s VAL 216 CO 0.06 0.22 1.03 0.42 0.00 0.00 0.00 175.10 176.83 2iuf s THR 217 N 1.00 2.26 0.50 3.92 -4.23 -0.14 -1.10 115.64 117.85 2iuf s THR 217 Ca -0.10 -0.30 0.21 0.00 -1.18 0.00 0.00 61.69 60.32 2iuf s THR 217 Cb -0.14 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.01 2iuf s THR 217 CO -0.01 0.00 2.12 0.44 -0.54 0.00 0.00 174.62 176.64 2iuf h ASP 218 N -0.64 0.00 -0.44 3.99 3.32 -1.91 0.28 116.42 121.02 2iuf h ASP 218 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2iuf h ASP 218 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2iuf h ASP 218 CO 0.56 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2iuf n ASP 219 N -4.17 4.10 0.00 6.45 5.75 -1.26 -4.93 116.55 122.50 2iuf n ASP 219 Ca -0.03 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 2iuf n ASP 219 Cb 0.15 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2iuf n ASP 219 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iuf n GLY 220 N 0.65 0.77 3.77 6.12 0.00 0.09 -5.04 105.19 111.55 2iuf n GLY 220 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2iuf n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuf s LYS 221 N -0.39 4.58 0.18 1.61 1.02 -1.26 -4.58 119.74 120.89 2iuf s LYS 221 Ca 0.00 1.57 0.09 0.00 0.02 0.00 0.00 55.97 57.66 2iuf s LYS 221 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 2iuf s LYS 221 CO 0.00 0.22 -0.20 0.95 -0.92 0.00 0.00 175.35 175.40 2iuf s THR 222 N -1.36 2.00 0.09 2.17 -4.23 -1.26 -0.96 115.64 112.08 2iuf s THR 222 Ca 0.48 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 2iuf s THR 222 Cb -0.26 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 2iuf s THR 222 CO 0.33 -0.26 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.44 2iuf s LYS 223 N -2.77 0.98 0.02 3.99 -0.14 -0.72 -4.69 119.74 116.41 2iuf s LYS 223 Ca 0.18 -1.09 -0.20 0.00 -1.36 0.00 0.00 55.97 53.50 2iuf s LYS 223 Cb -0.06 -1.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.95 2iuf s LYS 223 CO 0.08 0.24 0.58 -0.51 -0.76 0.00 0.00 175.35 174.98 2iuf s LEU 224 N -1.92 4.46 0.04 3.17 1.43 0.10 -1.11 118.68 124.84 2iuf s LEU 224 Ca 0.03 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2iuf s LEU 224 Cb -0.09 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 2iuf s LEU 224 CO 0.03 0.17 -0.05 0.68 0.23 0.00 0.00 176.35 177.40 2iuf s VAL 225 N -0.52 0.35 -0.17 -1.59 -7.23 -0.15 -0.18 120.40 110.91 2iuf s VAL 225 Ca 0.30 -1.08 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2iuf s VAL 225 Cb -0.19 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 2iuf s VAL 225 CO 0.18 -0.49 0.02 -0.54 -0.31 0.00 0.00 175.10 173.97 2iuf s LYS 226 N -1.75 3.86 0.12 4.82 -0.14 -1.05 -1.19 119.74 124.42 2iuf s LYS 226 Ca -0.11 -0.41 -0.24 0.00 -1.36 0.00 0.00 55.97 53.85 2iuf s LYS 226 Cb -0.08 -3.10 -0.07 0.00 -1.68 0.00 0.00 37.83 32.89 2iuf s LYS 226 CO -0.01 0.26 0.74 -0.06 -0.76 0.00 0.00 175.35 175.52 2iuf s PHE 227 N 0.37 3.85 0.03 3.18 0.08 -1.26 -1.21 117.98 123.02 2iuf s PHE 227 Ca 0.00 1.53 0.05 0.00 0.12 0.00 0.00 56.93 58.64 2iuf s PHE 227 Cb -0.13 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.57 2iuf s PHE 227 CO 0.01 0.47 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.44 2iuf s HIS 228 N -0.88 1.31 -0.32 0.36 3.76 0.08 -1.64 115.29 117.96 2iuf s HIS 228 Ca 0.35 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 2iuf s HIS 228 Cb -0.22 -0.79 0.09 0.00 1.11 0.00 0.00 32.58 32.77 2iuf s HIS 228 CO 0.24 0.04 0.02 -1.58 -0.85 0.00 0.00 174.74 172.60 2iuf s TRP 229 N -0.78 3.57 -0.45 1.40 0.52 0.27 -0.71 118.94 122.76 2iuf s TRP 229 Ca 0.03 -2.67 -0.22 0.00 0.02 0.00 0.00 56.10 53.26 2iuf s TRP 229 Cb -0.08 -2.61 0.03 0.00 -1.15 0.00 0.00 33.47 29.66 2iuf s TRP 229 CO 0.01 -0.92 0.72 0.15 0.02 0.00 0.00 176.95 176.93 2iuf s LYS 230 N 1.01 3.33 0.37 4.98 -0.14 0.02 -0.84 119.74 128.47 2iuf s LYS 230 Ca 0.04 -0.28 -0.26 0.00 -1.36 0.00 0.00 55.97 54.11 2iuf s LYS 230 Cb -0.20 -3.96 -0.09 0.00 -1.68 0.00 0.00 37.83 31.90 2iuf s LYS 230 CO -0.06 -1.10 1.16 0.20 -0.76 0.00 0.00 175.35 174.79 2iuf s GLY 231 N 2.15 2.90 0.00 -3.33 0.00 -1.26 -1.12 107.32 106.66 2iuf s GLY 231 Ca 0.26 0.96 0.22 0.00 0.00 0.00 0.00 44.72 46.17 2iuf s GLY 231 CO 0.20 1.50 1.48 1.04 0.00 0.00 0.00 173.10 177.32 2iuf n LEU 232 N 0.33 3.77 -0.12 0.66 4.77 -0.31 -4.31 117.00 121.79 2iuf n LEU 232 Ca 0.03 -1.84 -0.22 0.00 -0.03 0.00 0.00 56.01 53.95 2iuf n LEU 232 Cb 0.46 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2iuf n LEU 232 CO 0.52 0.90 -1.30 0.00 -1.33 0.00 0.00 177.39 176.18 2iuf n GLN 233 N 1.56 0.64 0.00 3.23 3.00 -1.26 -4.46 117.38 120.09 2iuf n GLN 233 Ca 0.22 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2iuf n GLN 233 Cb 0.61 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.31 2iuf n GLN 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2iuf n GLY 234 N 1.89 3.47 3.74 1.08 0.00 -1.26 -0.82 105.19 113.29 2iuf n GLY 234 Ca -0.47 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2iuf n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuf s LYS 235 N -4.63 4.16 -0.15 1.61 1.02 -1.26 -4.35 119.74 116.14 2iuf s LYS 235 Ca 0.00 2.50 -0.09 0.00 0.02 0.00 0.00 55.97 58.40 2iuf s LYS 235 Cb 0.00 -3.06 0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2iuf s LYS 235 CO 0.00 -0.59 0.37 0.00 -0.92 0.00 0.00 175.35 174.20 2iuf s ALA 236 N 0.21 -0.91 0.06 5.17 0.00 -1.01 -4.85 121.76 120.43 2iuf s ALA 236 Ca 0.64 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2iuf s ALA 236 Cb -0.46 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2iuf s ALA 236 CO 0.44 -0.23 -0.04 -1.12 0.00 0.00 0.00 175.76 174.80 2iuf s SER 237 N 1.14 0.67 0.70 0.00 0.01 -1.26 -0.85 113.70 114.10 2iuf s SER 237 Ca -0.08 -0.90 -0.06 0.00 1.31 0.00 0.00 55.95 56.22 2iuf s SER 237 Cb -0.08 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.37 2iuf s SER 237 CO -0.09 -0.49 1.00 -0.36 0.41 0.00 0.00 173.24 173.71 2iuf s PHE 238 N -3.32 2.70 0.31 2.43 0.08 0.25 -4.79 117.98 115.63 2iuf s PHE 238 Ca 0.04 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 2iuf s PHE 238 Cb 0.04 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2iuf s PHE 238 CO -0.07 -1.45 0.52 0.14 -0.10 0.00 0.00 175.22 174.27 2iuf s VAL 239 N -3.22 5.11 0.16 -0.44 -7.23 -1.26 -4.86 120.40 108.66 2iuf s VAL 239 Ca 0.61 -0.37 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 2iuf s VAL 239 Cb -0.10 -3.82 0.08 0.00 0.56 0.00 0.00 36.38 33.10 2iuf s VAL 239 CO 0.44 -0.46 1.68 -0.25 -0.31 0.00 0.00 175.10 176.21 2iuf h TRP 240 N 1.11 -0.12 -0.33 2.82 -0.00 -1.97 -1.21 115.95 116.25 2iuf h TRP 240 Ca -0.49 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.44 2iuf h TRP 240 Cb 1.21 0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.46 2iuf h TRP 240 CO 0.53 -0.12 0.22 1.05 -0.00 0.00 0.00 178.44 180.11 2iuf h GLU 241 N 0.05 0.40 0.07 2.65 9.09 -1.99 -0.53 114.58 124.32 2iuf h GLU 241 Ca 0.19 -0.02 -0.25 0.00 0.05 0.00 0.00 59.36 59.32 2iuf h GLU 241 Cb 0.28 -0.09 0.01 0.00 -1.65 0.00 0.00 28.75 27.29 2iuf h GLU 241 CO -0.36 0.27 -1.10 1.49 0.05 0.00 0.00 179.01 179.36 2iuf h GLU 242 N 0.41 0.35 -0.79 1.06 4.81 -1.70 -1.77 114.58 116.95 2iuf h GLU 242 Ca 0.13 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2iuf h GLU 242 Cb 0.01 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2iuf h GLU 242 CO -0.03 1.17 0.46 0.00 -0.73 0.00 0.00 179.01 179.88 2iuf h ALA 243 N 0.64 1.01 -0.00 2.92 0.00 -0.33 -1.52 119.26 121.99 2iuf h ALA 243 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2iuf h ALA 243 Cb 1.78 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2iuf h ALA 243 CO 0.19 0.50 0.00 1.96 0.00 0.00 0.00 179.25 181.90 2iuf h GLN 244 N 1.09 0.00 -0.76 0.00 4.20 -1.13 -1.23 115.11 117.28 2iuf h GLN 244 Ca 0.28 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2iuf h GLN 244 Cb -0.01 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2iuf h GLN 244 CO -0.05 0.08 0.47 0.37 -0.67 0.00 0.00 178.83 179.03 2iuf h GLN 245 N -0.07 1.03 -0.44 1.46 4.15 -1.19 -1.47 115.11 118.58 2iuf h GLN 245 Ca 0.00 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 2iuf h GLN 245 Cb 0.07 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2iuf h GLN 245 CO -0.00 0.71 -0.02 1.15 -1.93 0.00 0.00 178.83 178.74 2iuf h THR 246 N 1.05 1.24 -0.69 2.39 2.02 -1.03 -2.03 112.91 115.85 2iuf h THR 246 Ca 0.28 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2iuf h THR 246 Cb -0.06 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2iuf h THR 246 CO -0.05 0.34 0.45 0.00 0.37 0.00 0.00 175.52 176.62 2iuf h ALA 247 N 1.31 1.49 0.00 6.16 0.00 -0.17 0.15 119.26 128.20 2iuf h ALA 247 Ca 0.13 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2iuf h ALA 247 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2iuf h ALA 247 CO 0.02 0.47 -0.83 0.78 0.00 0.00 0.00 179.25 179.68 2iuf h GLY 248 N 0.95 0.03 0.32 0.00 0.00 -1.00 -3.34 103.07 100.02 2iuf h GLY 248 Ca 0.25 -0.05 -0.36 0.00 0.00 0.00 0.00 47.33 47.17 2iuf h GLY 248 CO -0.05 0.04 -2.19 0.28 0.00 0.00 0.00 176.54 174.62 2iuf n LYS 249 N -3.57 0.68 -3.27 4.80 4.76 -0.80 -4.85 118.16 115.90 2iuf n LYS 249 Ca -0.01 0.14 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 2iuf n LYS 249 Cb 0.79 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 32.33 2iuf n LYS 249 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2iuf s ASN 250 N -6.12 -0.33 0.57 4.39 3.84 0.48 -4.99 114.94 112.78 2iuf s ASN 250 Ca -0.17 -0.98 0.38 0.00 0.21 0.00 0.00 52.86 52.30 2iuf s ASN 250 Cb 0.07 1.35 1.94 0.00 -0.55 0.00 0.00 41.25 44.06 2iuf s ASN 250 CO 0.76 -0.23 2.15 0.00 -2.79 0.00 0.00 177.10 176.99 2iuf h ALA 251 N 7.20 1.00 -0.55 1.71 0.00 -1.68 -1.62 119.26 125.32 2iuf h ALA 251 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2iuf h ALA 251 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2iuf h ALA 251 CO 0.16 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 2iuf n ASP 252 N -2.91 5.09 -0.10 0.00 8.00 -1.26 -1.25 116.55 124.12 2iuf n ASP 252 Ca -0.02 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2iuf n ASP 252 Cb 0.12 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2iuf n ASP 252 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2iuf n PHE 253 N 0.64 0.00 0.00 1.24 7.35 -0.61 -0.45 117.46 125.62 2iuf n PHE 253 Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 2iuf n PHE 253 Cb 1.03 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.86 2iuf n PHE 253 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2iuf n ARG 255 N -0.19 0.00 -0.14 -4.13 0.63 -1.26 -1.41 116.66 110.15 2iuf n ARG 255 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2iuf n ARG 255 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2iuf n ARG 255 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2iuf h GLN 256 N 0.00 0.71 -0.41 -0.14 4.15 -1.18 -1.87 115.11 116.37 2iuf h GLN 256 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 58.65 59.26 2iuf h GLN 256 Cb 0.00 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.57 2iuf h GLN 256 CO 0.00 0.79 0.09 0.22 -1.93 0.00 0.00 178.83 178.00 2iuf h ASP 257 N 0.54 0.02 -0.25 -0.69 1.82 -1.46 0.10 116.42 116.51 2iuf h ASP 257 Ca 0.11 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.77 2iuf h ASP 257 Cb 0.47 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2iuf h ASP 257 CO 0.02 0.05 -0.06 0.25 -1.61 0.00 0.00 179.24 177.88 2iuf h LEU 258 N 0.22 0.48 -0.14 2.28 5.85 -1.81 -1.06 115.31 121.13 2iuf h LEU 258 Ca 0.20 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2iuf h LEU 258 Cb 0.23 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2iuf h LEU 258 CO -0.25 0.74 0.01 0.15 -0.34 0.00 0.00 178.44 178.75 2iuf h PHE 259 N 0.22 0.02 -0.70 1.25 3.57 -1.07 -1.95 116.94 118.28 2iuf h PHE 259 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2iuf h PHE 259 Cb 0.53 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2iuf h PHE 259 CO 0.05 -0.00 0.30 1.96 -2.23 0.00 0.00 178.31 178.39 2iuf h GLN 260 N 0.06 1.03 -0.72 1.11 4.20 -0.95 -1.42 115.11 118.43 2iuf h GLN 260 Ca 0.06 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2iuf h GLN 260 Cb 0.07 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2iuf h GLN 260 CO -0.10 0.84 0.35 0.66 -0.67 0.00 0.00 178.83 179.91 2iuf h SER 261 N 0.99 0.94 -0.38 1.46 4.64 -0.91 -0.14 113.55 120.16 2iuf h SER 261 Ca 0.24 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 2iuf h SER 261 Cb 0.18 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2iuf h SER 261 CO -0.02 0.81 -0.36 0.40 -0.87 0.00 0.00 176.83 176.79 2iuf h ILE 262 N 1.01 1.28 0.00 0.95 2.04 -1.06 0.12 117.51 121.84 2iuf h ILE 262 Ca 0.25 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2iuf h ILE 262 Cb 0.12 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2iuf h ILE 262 CO -0.03 0.51 -0.19 1.56 0.00 0.00 0.00 178.15 180.00 2iuf h GLN 263 N 0.72 0.00 -0.00 2.37 1.08 -0.94 -1.78 115.11 116.56 2iuf h GLN 263 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2iuf h GLN 263 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 2iuf h GLN 263 CO 0.09 0.19 -0.02 0.00 -0.95 0.00 0.00 178.83 178.15 2iuf n ALA 264 N -2.40 2.62 -1.04 3.87 0.00 -0.09 -4.91 120.51 118.55 2iuf n ALA 264 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 2iuf n ALA 264 Cb 0.28 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 2iuf n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuf n GLY 265 N 1.15 0.49 2.97 0.00 0.00 -0.67 -4.95 105.19 104.18 2iuf n GLY 265 Ca 0.19 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2iuf n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuf n ARG 266 N -2.21 3.70 -2.48 1.61 1.74 0.38 -4.99 116.66 114.41 2iuf n ARG 266 Ca -0.02 -3.72 -0.43 0.00 -0.77 0.00 0.00 57.85 52.92 2iuf n ARG 266 Cb 0.14 -2.88 -0.02 0.00 -1.02 0.00 0.00 32.46 28.68 2iuf n ARG 266 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2iuf s PHE 267 N 0.08 3.02 0.42 -1.55 0.08 -1.26 -4.39 117.98 114.38 2iuf s PHE 267 Ca 0.39 1.15 -0.24 0.00 0.12 0.00 0.00 56.93 58.35 2iuf s PHE 267 Cb 0.07 -3.44 -0.08 0.00 -0.57 0.00 0.00 43.02 39.00 2iuf s PHE 267 CO 0.02 -1.37 1.09 -1.25 -0.10 0.00 0.00 175.22 173.61 2iuf s PRO 268 N 3.12 4.02 0.10 0.24 0.04 -1.24 -4.83 135.00 136.44 2iuf s PRO 268 Ca 0.53 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.23 2iuf s PRO 268 Cb -0.21 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2iuf s PRO 268 CO 0.15 -0.29 -0.14 -1.21 0.04 0.00 0.00 177.00 175.55 2iuf s GLU 269 N -2.58 0.95 0.01 4.56 2.02 -1.26 -1.89 118.70 120.50 2iuf s GLU 269 Ca 0.60 -1.13 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 2iuf s GLU 269 Cb -0.24 -0.88 -0.01 0.00 0.10 0.00 0.00 34.13 33.10 2iuf s GLU 269 CO 0.30 0.18 -0.00 -1.58 0.02 0.00 0.00 175.26 174.18 2iuf s TRP 270 N -1.82 0.09 -0.16 1.61 0.51 -0.58 -1.16 118.94 117.43 2iuf s TRP 270 Ca 0.05 -0.18 -0.13 0.00 -2.12 0.00 0.00 56.10 53.73 2iuf s TRP 270 Cb -0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 33.47 32.48 2iuf s TRP 270 CO 0.03 -0.07 0.25 -1.21 -0.51 0.00 0.00 176.95 175.43 2iuf s GLU 271 N -0.54 4.19 0.10 4.98 2.02 -0.28 -0.23 118.70 128.95 2iuf s GLU 271 Ca -0.06 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 2iuf s GLU 271 Cb -0.04 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 2iuf s GLU 271 CO -0.00 0.30 1.07 -1.17 0.02 0.00 0.00 175.26 175.48 2iuf s LEU 272 N 0.31 4.44 0.09 1.80 2.96 -0.02 -0.80 118.68 127.47 2iuf s LEU 272 Ca 0.15 1.92 -0.00 0.00 -0.22 0.00 0.00 54.13 55.98 2iuf s LEU 272 Cb -0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2iuf s LEU 272 CO 0.03 -0.26 -0.00 -0.83 -1.32 0.00 0.00 176.35 173.96 2iuf s GLY 273 N 0.44 0.73 -0.01 7.98 0.00 0.12 -0.37 107.32 116.20 2iuf s GLY 273 Ca 0.52 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2iuf s GLY 273 CO 0.31 -1.36 -0.08 -1.34 0.00 0.00 0.00 173.10 170.63 2iuf s VAL 274 N -3.91 0.64 -0.42 1.40 -7.23 0.19 -0.74 120.40 110.32 2iuf s VAL 274 Ca 0.15 -0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 2iuf s VAL 274 Cb 0.07 -0.55 0.02 0.00 0.56 0.00 0.00 36.38 36.49 2iuf s VAL 274 CO -0.04 0.19 0.88 -1.10 -0.31 0.00 0.00 175.10 174.71 2iuf s GLN 275 N -0.07 3.64 -0.25 4.82 -0.21 -0.35 -0.24 119.66 127.00 2iuf s GLN 275 Ca 0.01 0.26 -0.15 0.00 0.02 0.00 0.00 55.36 55.51 2iuf s GLN 275 Cb -0.04 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 2iuf s GLN 275 CO -0.00 -1.07 0.35 0.42 -2.12 0.00 0.00 175.29 172.87 2iuf s ILE 276 N 3.49 5.21 0.20 1.08 1.01 -1.26 -2.52 121.20 128.41 2iuf s ILE 276 Ca 0.35 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.60 2iuf s ILE 276 Cb -0.11 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2iuf s ILE 276 CO 0.22 0.21 -0.05 -0.04 0.00 0.00 0.00 174.94 175.28 2iuf s MET 277 N 1.72 1.23 0.34 2.79 -1.94 0.74 -4.97 119.30 119.21 2iuf s MET 277 Ca 0.15 -1.58 -0.02 0.00 -1.71 0.00 0.00 55.69 52.53 2iuf s MET 277 Cb -0.15 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.99 2iuf s MET 277 CO 0.09 -0.01 0.57 -0.65 -0.01 0.00 0.00 175.02 175.01 2iuf s GLN 278 N -3.80 3.53 0.38 2.03 -1.52 -1.26 -0.72 119.66 118.30 2iuf s GLN 278 Ca 0.23 -0.18 0.12 0.00 -1.95 0.00 0.00 55.36 53.59 2iuf s GLN 278 Cb 0.04 -2.63 0.92 0.00 -0.22 0.00 0.00 33.01 31.12 2iuf s GLN 278 CO 0.05 0.14 1.88 0.93 -0.25 0.00 0.00 175.29 178.05 2iuf h GLU 279 N 1.02 0.56 0.00 2.91 4.39 -1.93 -0.44 114.58 121.09 2iuf h GLU 279 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2iuf h GLU 279 Cb 1.21 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2iuf h GLU 279 CO 0.63 0.37 0.00 1.04 -1.16 0.00 0.00 179.01 179.89 2iuf n GLN 280 N -4.53 0.53 -0.01 2.33 3.00 -1.26 -3.20 117.38 114.24 2iuf n GLN 280 Ca 0.17 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.33 2iuf n GLN 280 Cb 0.51 -1.50 0.54 0.00 0.00 0.00 0.00 30.24 29.79 2iuf n GLN 280 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2iuf n ASP 281 N -1.13 1.41 0.01 1.08 8.00 -0.17 -4.51 116.55 121.23 2iuf n ASP 281 Ca 0.14 -1.49 0.04 0.00 0.71 0.00 0.00 54.79 54.19 2iuf n ASP 281 Cb 0.12 -0.01 0.42 0.00 -0.02 0.00 0.00 41.12 41.63 2iuf n ASP 281 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2iuf h GLN 282 N 2.16 0.52 0.00 -1.24 4.20 -1.72 -3.06 115.11 115.97 2iuf h GLN 282 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2iuf h GLN 282 Cb 0.46 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2iuf h GLN 282 CO 0.00 0.36 -0.09 1.28 -0.67 0.00 0.00 178.83 179.71 2iuf n LEU 283 N -4.46 1.82 0.05 1.46 4.77 -1.26 -0.67 117.00 118.71 2iuf n LEU 283 Ca 0.03 -2.51 -0.04 0.00 -0.03 0.00 0.00 56.01 53.46 2iuf n LEU 283 Cb 0.07 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 2iuf n LEU 283 CO 0.35 0.58 -0.02 0.50 -1.33 0.00 0.00 177.39 177.48 2iuf h LYS 284 N 0.00 0.00 -0.31 3.23 3.64 -1.75 -3.37 116.57 118.01 2iuf h LYS 284 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2iuf h LYS 284 Cb 1.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2iuf h LYS 284 CO 0.00 0.62 0.00 1.19 -2.27 0.00 0.00 179.45 178.99 2iuf n PHE 285 N -3.16 0.40 -0.27 1.91 3.72 -1.26 -4.90 117.46 113.91 2iuf n PHE 285 Ca -0.05 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2iuf n PHE 285 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 2iuf n PHE 285 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2iuf n GLY 286 N 1.26 0.64 3.44 1.37 0.00 -1.26 -5.02 105.19 105.61 2iuf n GLY 286 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2iuf n GLY 286 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2iuf s PHE 287 N -2.53 0.80 -0.22 1.61 -0.12 -1.26 -5.08 117.98 111.17 2iuf s PHE 287 Ca 0.00 -1.07 -0.12 0.00 -0.05 0.00 0.00 56.93 55.68 2iuf s PHE 287 Cb 0.00 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 2iuf s PHE 287 CO 0.00 -0.91 0.23 0.34 -0.05 0.00 0.00 175.22 174.83 2iuf s ASP 288 N -3.12 6.23 0.49 1.98 -1.08 -1.26 -4.37 116.67 115.54 2iuf s ASP 288 Ca 0.30 0.25 0.33 0.00 -0.52 0.00 0.00 52.55 52.91 2iuf s ASP 288 Cb 0.02 -2.14 1.67 0.00 -1.46 0.00 0.00 42.92 41.00 2iuf s ASP 288 CO 0.13 0.04 2.00 -0.07 0.52 0.00 0.00 175.17 177.79 2iuf h LEU 289 N 7.43 0.00 0.00 -1.34 3.38 -1.20 -0.43 115.31 123.16 2iuf h LEU 289 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2iuf h LEU 289 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2iuf h LEU 289 CO 0.69 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.40 2iuf n LEU 290 N -2.72 0.00 -4.54 1.67 4.77 -1.26 -4.28 117.00 110.64 2iuf n LEU 290 Ca -0.01 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 2iuf n LEU 290 Cb 0.13 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2iuf n LEU 290 CO 0.18 -0.03 0.26 -0.62 -1.33 0.00 0.00 177.39 175.86 2iuf s ASP 291 N -2.63 6.31 0.00 -1.43 -1.08 -0.17 -4.28 116.67 113.38 2iuf s ASP 291 Ca 0.24 -0.19 0.18 0.00 -0.52 0.00 0.00 52.55 52.26 2iuf s ASP 291 Cb 0.18 -2.28 1.07 0.00 -1.46 0.00 0.00 42.92 40.43 2iuf s ASP 291 CO 0.42 -0.58 1.60 -0.81 0.52 0.00 0.00 175.17 176.32 2iuf n PRO 292 N 5.89 0.86 -0.12 4.34 -0.04 -1.26 -2.40 135.00 142.27 2iuf n PRO 292 Ca -0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2iuf n PRO 292 Cb 0.48 -1.33 0.30 0.00 -0.04 0.00 0.00 33.50 32.92 2iuf n PRO 292 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2iuf n THR 293 N -0.83 0.31 -4.98 0.52 -2.24 -1.26 -0.91 114.28 104.89 2iuf n THR 293 Ca 0.13 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2iuf n THR 293 Cb 0.06 0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 68.81 2iuf n THR 293 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iuf s LYS 294 N -1.69 2.99 0.34 -0.78 -0.14 -1.01 -4.85 119.74 114.60 2iuf s LYS 294 Ca 0.35 -0.77 -0.04 0.00 -1.36 0.00 0.00 55.97 54.15 2iuf s LYS 294 Cb 0.20 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 2iuf s LYS 294 CO 0.29 0.32 0.61 0.96 -0.76 0.00 0.00 175.35 176.77 2iuf s ILE 295 N 0.04 5.00 -0.43 2.17 -4.36 -1.26 -4.87 121.20 117.49 2iuf s ILE 295 Ca -0.07 0.02 -0.17 0.00 -0.26 0.00 0.00 60.65 60.17 2iuf s ILE 295 Cb -0.15 -3.78 0.02 0.00 1.25 0.00 0.00 42.46 39.80 2iuf s ILE 295 CO 0.05 -0.48 0.45 -0.69 0.24 0.00 0.00 174.94 174.51 2iuf s VAL 296 N -2.27 5.08 0.39 8.37 1.01 -1.26 -5.07 120.40 126.65 2iuf s VAL 296 Ca 0.44 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 2iuf s VAL 296 Cb -0.10 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 2iuf s VAL 296 CO 0.34 -0.45 1.39 -2.65 0.00 0.00 0.00 175.10 173.73 2iuf n PRO 297 N 5.62 2.33 0.28 2.72 -0.02 -1.26 -4.83 135.00 139.84 2iuf n PRO 297 Ca -0.07 0.82 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 2iuf n PRO 297 Cb 0.47 -2.52 0.83 0.00 -0.02 0.00 0.00 33.50 32.26 2iuf n PRO 297 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2iuf h GLU 298 N 2.58 0.00 0.00 -0.52 5.08 -1.97 0.43 114.58 120.18 2iuf h GLU 298 Ca -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2iuf h GLU 298 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2iuf h GLU 298 CO 0.62 0.07 -0.11 0.93 -1.00 0.00 0.00 179.01 179.52 2iuf h GLU 299 N 0.00 0.00 0.17 2.33 3.07 -1.97 -3.16 114.58 115.03 2iuf h GLU 299 Ca -0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 2iuf h GLU 299 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2iuf h GLU 299 CO 0.01 0.11 -1.81 -0.07 -1.40 0.00 0.00 179.01 175.85 2iuf h LEU 300 N 0.00 0.56 -7.12 1.33 3.38 -1.28 -3.46 115.31 108.73 2iuf h LEU 300 Ca -0.00 -0.94 -0.39 0.00 0.09 0.00 0.00 57.88 56.63 2iuf h LEU 300 Cb 0.22 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 40.40 2iuf h LEU 300 CO 0.01 1.81 -0.72 -0.69 0.09 0.00 0.00 178.44 178.95 2iuf s VAL 301 N -2.57 -0.15 0.79 1.22 1.01 -0.97 -5.08 120.40 114.66 2iuf s VAL 301 Ca -0.18 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2iuf s VAL 301 Cb 0.06 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 36.07 2iuf s VAL 301 CO 0.83 -0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.77 2iuf s PRO 302 N 2.19 2.14 -0.23 2.72 0.04 -1.21 -4.25 135.00 136.40 2iuf s PRO 302 Ca 0.04 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 2iuf s PRO 302 Cb -0.14 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2iuf s PRO 302 CO -0.07 -1.61 0.74 0.08 0.04 0.00 0.00 177.00 176.17 2iuf s VAL 303 N -3.07 4.91 -0.19 -0.36 1.01 -1.26 -4.27 120.40 117.16 2iuf s VAL 303 Ca 0.61 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.79 2iuf s VAL 303 Cb -0.15 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2iuf s VAL 303 CO 0.55 -0.01 0.50 -0.89 0.00 0.00 0.00 175.10 175.25 2iuf s THR 304 N 2.55 5.13 -0.11 3.92 2.01 0.66 -4.85 115.64 124.95 2iuf s THR 304 Ca 0.32 0.92 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 2iuf s THR 304 Cb -0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2iuf s THR 304 CO 0.09 0.20 0.65 -0.63 -0.69 0.00 0.00 174.62 174.24 2iuf s ILE 305 N 1.48 5.06 -0.20 1.82 -1.09 -1.26 -0.64 121.20 126.37 2iuf s ILE 305 Ca 0.24 1.30 0.17 0.00 -2.23 0.00 0.00 60.65 60.13 2iuf s ILE 305 Cb -0.15 -3.98 -0.25 0.00 -1.58 0.00 0.00 42.46 36.50 2iuf s ILE 305 CO 0.09 0.23 0.06 0.18 -1.23 0.00 0.00 174.94 174.27 2iuf n LEU 306 N 4.05 0.12 0.00 2.97 4.77 0.50 -4.94 117.00 124.47 2iuf n LEU 306 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2iuf n LEU 306 Cb 0.51 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2iuf n LEU 306 CO 0.46 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2iuf n GLY 307 N 1.77 -1.39 2.96 -0.72 0.00 -1.20 -0.87 105.19 105.74 2iuf n GLY 307 Ca -0.33 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 2iuf n GLY 307 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iuf s LYS 308 N -1.10 0.74 -0.16 1.61 2.20 0.03 -0.84 119.74 122.22 2iuf s LYS 308 Ca 0.00 -0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 2iuf s LYS 308 Cb 0.00 -0.72 -0.05 0.00 -1.51 0.00 0.00 37.83 35.55 2iuf s LYS 308 CO 0.00 0.06 0.15 1.41 -0.36 0.00 0.00 175.35 176.61 2iuf s MET 309 N 0.29 3.93 -0.08 4.03 -2.45 0.68 -0.67 119.30 125.04 2iuf s MET 309 Ca -0.04 -0.15 0.04 0.00 -1.25 0.00 0.00 55.69 54.29 2iuf s MET 309 Cb -0.08 -3.34 0.00 0.00 1.25 0.00 0.00 34.83 32.66 2iuf s MET 309 CO 0.00 0.47 -0.20 -1.14 1.05 0.00 0.00 175.02 175.20 2iuf s GLN 310 N -0.15 2.47 -0.24 4.11 0.74 -0.39 -1.52 119.66 124.68 2iuf s GLN 310 Ca 0.11 -0.72 -0.13 0.00 0.05 0.00 0.00 55.36 54.67 2iuf s GLN 310 Cb -0.12 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 2iuf s GLN 310 CO 0.01 0.16 0.28 -0.51 -0.55 0.00 0.00 175.29 174.68 2iuf s LEU 311 N 0.35 4.09 0.00 3.68 1.43 -0.79 -1.07 118.68 126.36 2iuf s LEU 311 Ca -0.15 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2iuf s LEU 311 Cb -0.16 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2iuf s LEU 311 CO 0.06 -0.05 0.22 -0.46 0.23 0.00 0.00 176.35 176.35 2iuf n ASN 312 N 4.72 0.00 -3.72 2.29 0.23 -0.23 -3.71 115.26 114.84 2iuf n ASN 312 Ca -0.11 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.58 52.82 2iuf n ASN 312 Cb 0.51 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.09 2iuf n ASN 312 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2iuf s ARG 313 N 0.00 0.25 0.53 -3.83 3.52 -0.98 -4.99 118.95 113.46 2iuf s ARG 313 Ca 0.00 0.58 -0.17 0.00 -0.13 0.00 0.00 55.73 56.01 2iuf s ARG 313 Cb 0.00 -0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.24 2iuf s ARG 313 CO 0.00 -0.15 1.00 -0.80 -0.81 0.00 0.00 175.30 174.54 2iuf s ASN 314 N 1.22 6.42 0.00 -2.12 0.01 -1.26 -0.68 114.94 118.54 2iuf s ASN 314 Ca -0.09 1.65 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 2iuf s ASN 314 Cb -0.09 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2iuf s ASN 314 CO -0.09 -0.72 0.00 -2.65 -1.51 0.00 0.00 177.10 172.13 2iuf n PRO 315 N -1.60 1.93 -1.53 -0.60 -0.02 -1.26 -4.86 135.00 127.05 2iuf n PRO 315 Ca 0.07 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 60.99 2iuf n PRO 315 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 2iuf n PRO 315 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2iuf n ASN 317 N 0.00 1.93 -0.14 2.55 2.85 -1.26 -5.15 115.26 116.04 2iuf n ASN 317 Ca 0.00 0.76 -0.04 0.00 -0.11 0.00 0.00 54.58 55.19 2iuf n ASN 317 Cb 0.00 -1.13 0.04 0.00 1.24 0.00 0.00 39.78 39.94 2iuf n ASN 317 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2iuf h TYR 318 N 9.37 0.29 0.01 1.20 5.03 -2.01 -2.01 116.97 128.85 2iuf h TYR 318 Ca -0.32 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.01 2iuf h TYR 318 Cb 1.34 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.56 2iuf h TYR 318 CO 0.88 0.11 -0.00 0.35 -1.32 0.00 0.00 178.16 178.17 2iuf h PHE 319 N 0.34 -0.01 -0.41 -3.82 3.57 -1.98 0.21 116.94 114.83 2iuf h PHE 319 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2iuf h PHE 319 Cb 0.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2iuf h PHE 319 CO -0.15 0.09 0.02 0.00 -2.23 0.00 0.00 178.31 176.04 2iuf h ALA 320 N 0.89 1.27 0.00 2.41 0.00 -1.94 -2.56 119.26 119.33 2iuf h ALA 320 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2iuf h ALA 320 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2iuf h ALA 320 CO 0.00 0.49 -0.59 0.39 0.00 0.00 0.00 179.25 179.54 2iuf n GLU 321 N -4.26 0.33 -0.03 0.00 1.02 -0.77 -4.33 120.64 112.60 2iuf n GLU 321 Ca 0.02 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 2iuf n GLU 321 Cb 0.26 -1.13 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 2iuf n GLU 321 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2iuf h THR 322 N -0.64 1.51 -0.56 2.62 2.02 -0.84 -2.56 112.91 114.47 2iuf h THR 322 Ca 0.00 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.36 2iuf h THR 322 Cb 0.59 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 2iuf h THR 322 CO 0.00 0.47 0.02 -0.08 0.37 0.00 0.00 175.52 176.31 2iuf h GLU 323 N -0.48 0.94 -0.01 6.66 4.57 -1.03 -3.05 114.58 122.19 2iuf h GLU 323 Ca -0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2iuf h GLU 323 Cb 0.86 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2iuf h GLU 323 CO 0.03 0.91 -0.17 1.04 -1.18 0.00 0.00 179.01 179.65 2iuf n GLN 324 N -4.20 0.89 -2.11 1.92 6.02 -0.98 -4.89 117.38 114.03 2iuf n GLN 324 Ca 0.03 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 56.15 2iuf n GLN 324 Cb 0.31 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 2iuf n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2iuf s VAL 325 N -2.42 3.02 -0.44 5.09 0.11 -0.96 -4.87 120.40 119.93 2iuf s VAL 325 Ca 0.28 0.79 0.03 0.00 -2.93 0.00 0.00 61.98 60.15 2iuf s VAL 325 Cb 0.20 -3.51 0.12 0.00 -1.53 0.00 0.00 36.38 31.67 2iuf s VAL 325 CO 0.48 0.09 0.20 -0.04 -3.33 0.00 0.00 175.10 172.50 2iuf s MET 326 N 0.37 1.50 0.53 1.54 -1.94 -1.26 -5.06 119.30 114.99 2iuf s MET 326 Ca 0.62 -2.10 -0.18 0.00 -1.71 0.00 0.00 55.69 52.32 2iuf s MET 326 Cb -0.39 -2.79 -0.06 0.00 2.01 0.00 0.00 34.83 33.59 2iuf s MET 326 CO 0.36 -1.09 1.03 -0.06 -0.01 0.00 0.00 175.02 175.25 2iuf s PHE 327 N 0.35 3.12 -0.19 -0.03 0.08 -1.26 -5.04 117.98 115.01 2iuf s PHE 327 Ca 0.15 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.61 2iuf s PHE 327 Cb -0.23 -2.96 0.06 0.00 -0.57 0.00 0.00 43.02 39.31 2iuf s PHE 327 CO -0.04 -0.79 0.46 -0.65 -0.10 0.00 0.00 175.22 174.10 2iuf s GLN 328 N -3.78 0.47 0.64 0.44 -0.21 -1.26 -4.91 119.66 111.05 2iuf s GLN 328 Ca 0.63 0.83 0.42 0.00 0.02 0.00 0.00 55.36 57.26 2iuf s GLN 328 Cb -0.14 0.05 2.18 0.00 1.00 0.00 0.00 33.01 36.11 2iuf s GLN 328 CO 0.29 -0.14 2.29 -1.35 -2.12 0.00 0.00 175.29 174.26 2iuf h PRO 329 N 6.79 0.00 0.00 2.91 0.11 -1.89 -1.50 132.00 138.41 2iuf h PRO 329 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2iuf h PRO 329 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2iuf h PRO 329 CO 0.26 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.46 2iuf n GLY 330 N -0.83 -1.13 3.58 -0.55 0.00 -1.26 -4.06 105.19 100.95 2iuf n GLY 330 Ca -0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2iuf n GLY 330 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iuf s HIS 331 N -2.80 2.59 0.22 1.61 3.76 -0.57 -4.93 115.29 115.17 2iuf s HIS 331 Ca 0.15 -1.13 0.10 0.00 -0.15 0.00 0.00 55.06 54.03 2iuf s HIS 331 Cb 0.14 -4.59 -0.04 0.00 1.11 0.00 0.00 32.58 29.20 2iuf s HIS 331 CO 0.36 -1.69 -0.15 -1.50 -0.85 0.00 0.00 174.74 170.92 2iuf s ILE 332 N 5.74 2.84 0.24 0.60 2.07 -1.25 -1.40 121.20 130.03 2iuf s ILE 332 Ca 0.57 -1.95 0.09 0.00 -1.41 0.00 0.00 60.65 57.94 2iuf s ILE 332 Cb 0.03 -2.43 -0.05 0.00 0.13 0.00 0.00 42.46 40.14 2iuf s ILE 332 CO 0.08 -0.21 -0.14 0.68 -1.91 0.00 0.00 174.94 173.44 2iuf s VAL 333 N -1.94 1.93 0.01 4.00 -7.23 -1.26 -4.89 120.40 111.01 2iuf s VAL 333 Ca 0.26 -2.25 -0.37 0.00 -1.81 0.00 0.00 61.98 57.81 2iuf s VAL 333 Cb -0.07 -2.20 -0.16 0.00 0.56 0.00 0.00 36.38 34.50 2iuf s VAL 333 CO 0.14 -0.48 1.50 -1.14 -0.31 0.00 0.00 175.10 174.82 2iuf n ARG 334 N -0.49 1.39 0.00 4.82 0.63 -1.26 -1.71 116.66 120.03 2iuf n ARG 334 Ca -0.07 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 2iuf n ARG 334 Cb 0.61 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.33 2iuf n ARG 334 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2iuf n GLY 335 N 3.15 0.87 3.14 5.14 0.00 -1.26 -3.24 105.19 112.99 2iuf n GLY 335 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2iuf n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuf s VAL 336 N -2.00 0.98 0.24 1.61 1.01 -0.69 -0.95 120.40 120.59 2iuf s VAL 336 Ca 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 2iuf s VAL 336 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2iuf s VAL 336 CO 0.00 -0.19 0.34 -0.62 0.00 0.00 0.00 175.10 174.63 2iuf s ASP 337 N -1.51 0.08 0.62 3.32 2.15 -0.10 -4.70 116.67 116.52 2iuf s ASP 337 Ca -0.03 -1.15 -0.03 0.00 0.43 0.00 0.00 52.55 51.78 2iuf s ASP 337 Cb -0.09 0.51 0.04 0.00 -0.30 0.00 0.00 42.92 43.08 2iuf s ASP 337 CO 0.02 -1.03 0.88 -0.36 -0.17 0.00 0.00 175.17 174.51 2iuf s PHE 338 N -4.01 2.91 0.41 -5.34 0.08 -1.26 -0.99 117.98 109.77 2iuf s PHE 338 Ca 0.29 0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.61 2iuf s PHE 338 Cb 0.02 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.47 2iuf s PHE 338 CO 0.11 -1.10 0.03 0.95 -0.10 0.00 0.00 175.22 175.11 2iuf s THR 339 N -2.98 1.53 -1.07 0.64 -4.23 -1.26 -4.46 115.64 103.81 2iuf s THR 339 Ca 0.58 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 2iuf s THR 339 Cb -0.11 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 71.15 2iuf s THR 339 CO 0.41 0.00 0.82 -0.62 -0.54 0.00 0.00 174.62 174.69 2iuf n GLU 340 N -0.95 1.70 -1.62 3.99 4.71 -1.26 -4.58 120.64 122.63 2iuf n GLU 340 Ca -0.07 -0.61 -0.45 0.00 -0.01 0.00 0.00 57.16 56.02 2iuf n GLU 340 Cb 0.67 -1.55 -0.04 0.00 -1.01 0.00 0.00 31.44 29.50 2iuf n GLU 340 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2iuf n ASP 341 N 0.09 3.37 0.15 1.62 -0.08 -1.26 -4.83 116.55 115.62 2iuf n ASP 341 Ca 0.05 0.62 0.12 0.00 -1.51 0.00 0.00 54.79 54.08 2iuf n ASP 341 Cb 0.38 -1.45 0.55 0.00 2.34 0.00 0.00 41.12 42.93 2iuf n ASP 341 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2iuf h PRO 342 N 11.95 0.00 0.04 -0.67 0.11 -1.77 -0.46 132.00 141.20 2iuf h PRO 342 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2iuf h PRO 342 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2iuf h PRO 342 CO 0.96 0.00 -0.02 1.25 -0.21 0.00 0.00 178.00 179.98 2iuf h LEU 343 N 0.00 -0.04 -0.56 2.35 5.85 -1.88 -2.71 115.31 118.33 2iuf h LEU 343 Ca 0.00 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.16 2iuf h LEU 343 Cb 0.27 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2iuf h LEU 343 CO 0.00 0.72 0.17 0.25 -0.34 0.00 0.00 178.44 179.25 2iuf h LEU 344 N -0.90 0.14 -0.51 2.25 5.85 -1.77 -2.23 115.31 118.14 2iuf h LEU 344 Ca -0.00 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2iuf h LEU 344 Cb 0.69 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 2iuf h LEU 344 CO 0.01 0.09 0.06 1.56 -0.34 0.00 0.00 178.44 179.83 2iuf h GLN 345 N 0.34 0.18 0.00 1.25 1.08 -1.19 -2.44 115.11 114.33 2iuf h GLN 345 Ca 0.28 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.30 2iuf h GLN 345 Cb 0.35 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2iuf h GLN 345 CO -0.31 0.12 -0.86 0.78 -0.95 0.00 0.00 178.83 177.62 2iuf h GLY 346 N 0.19 0.00 0.04 3.46 0.00 -1.46 -3.07 103.07 102.23 2iuf h GLY 346 Ca 0.26 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.78 2iuf h GLY 346 CO -0.37 0.00 0.50 3.21 0.00 0.00 0.00 176.54 179.88 2iuf h ARG 347 N 0.00 0.59 -0.85 4.80 3.08 -0.94 -1.85 114.38 119.21 2iuf h ARG 347 Ca -0.03 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.10 2iuf h ARG 347 Cb 1.61 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.44 2iuf h ARG 347 CO 0.09 0.39 0.47 -0.07 -1.07 0.00 0.00 179.97 179.78 2iuf h LEU 348 N 0.61 0.62 -0.21 3.04 3.38 -1.37 -1.06 115.31 120.31 2iuf h LEU 348 Ca 0.55 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.55 2iuf h LEU 348 Cb 0.90 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2iuf h LEU 348 CO -0.42 0.31 -0.01 0.15 0.09 0.00 0.00 178.44 178.55 2iuf h PHE 349 N 0.72 0.42 -0.49 1.13 3.57 -1.49 -3.34 116.94 117.47 2iuf h PHE 349 Ca 0.44 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 2iuf h PHE 349 Cb 0.52 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2iuf h PHE 349 CO -0.07 0.59 0.24 1.03 -2.23 0.00 0.00 178.31 177.87 2iuf h SER 350 N 0.14 0.63 1.50 0.41 0.87 -0.91 -2.52 113.55 113.66 2iuf h SER 350 Ca 0.06 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2iuf h SER 350 Cb 0.43 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2iuf h SER 350 CO 0.01 0.57 0.00 1.88 -0.53 0.00 0.00 176.83 178.76 2iuf h TYR 351 N 0.64 0.00 0.06 2.24 -1.99 -1.54 -0.24 116.97 116.13 2iuf h TYR 351 Ca 0.17 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.79 2iuf h TYR 351 Cb 0.10 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.84 2iuf h TYR 351 CO -0.01 0.00 -0.45 1.25 -0.00 0.00 0.00 178.16 178.95 2iuf h LEU 352 N 0.00 0.30 -0.18 3.88 5.85 -1.63 -3.36 115.31 120.17 2iuf h LEU 352 Ca 0.00 -0.90 -0.00 0.00 0.84 0.00 0.00 57.88 57.81 2iuf h LEU 352 Cb 0.75 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2iuf h LEU 352 CO 0.00 1.17 0.10 -0.78 -0.34 0.00 0.00 178.44 178.59 2iuf h ASP 353 N -0.53 0.22 0.17 1.25 3.58 -1.26 -3.22 116.42 116.62 2iuf h ASP 353 Ca -0.07 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2iuf h ASP 353 Cb 1.29 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 2iuf h ASP 353 CO 0.09 0.23 -0.12 0.00 -2.88 0.00 0.00 179.24 176.55 2iuf h THR 354 N 0.19 0.94 0.00 2.25 1.03 -1.20 -1.49 112.91 114.63 2iuf h THR 354 Ca 0.06 -0.45 -0.01 0.00 -0.01 0.00 0.00 66.41 66.00 2iuf h THR 354 Cb 0.05 1.25 -0.00 0.00 -1.07 0.00 0.00 68.15 68.38 2iuf h THR 354 CO -0.01 0.12 -0.07 1.56 -0.01 0.00 0.00 175.52 177.11 2iuf h GLN 355 N 0.00 0.00 -0.87 0.00 1.08 -1.70 -1.04 115.11 112.58 2iuf h GLN 355 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2iuf h GLN 355 Cb 0.24 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2iuf h GLN 355 CO 0.02 0.07 0.50 -0.07 -0.95 0.00 0.00 178.83 178.39 2iuf h LEU 356 N 0.00 1.07 -0.23 1.46 3.38 -1.43 0.88 115.31 120.44 2iuf h LEU 356 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2iuf h LEU 356 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2iuf h LEU 356 CO 0.01 0.84 -0.03 -1.13 0.09 0.00 0.00 178.44 178.22 2iuf h ASN 357 N 1.21 0.42 -0.18 -0.43 -0.73 -1.32 0.74 115.58 115.29 2iuf h ASN 357 Ca 0.31 -0.34 -0.14 0.00 1.87 0.00 0.00 56.30 57.99 2iuf h ASN 357 Cb -0.01 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.47 2iuf h ASN 357 CO -0.05 0.66 -0.45 0.03 -0.37 0.00 0.00 177.43 177.25 2iuf h ARG 358 N 0.17 0.63 0.00 6.67 3.08 -1.12 -3.25 114.38 120.57 2iuf h ARG 358 Ca 0.06 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.55 2iuf h ARG 358 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2iuf h ARG 358 CO 0.02 1.05 -1.03 1.25 -1.07 0.00 0.00 179.97 180.19 2iuf h HIS 359 N 0.30 0.00 -0.10 3.04 2.76 -0.93 -3.40 115.15 116.83 2iuf h HIS 359 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2iuf h HIS 359 Cb 1.06 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2iuf h HIS 359 CO 0.09 0.50 -0.04 0.41 -1.30 0.00 0.00 177.93 177.59 2iuf n GLY 360 N 1.31 0.54 3.24 5.26 0.00 0.25 -4.96 105.19 110.83 2iuf n GLY 360 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.63 2iuf n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuf n GLY 361 N -2.25 0.26 0.01 -0.02 0.00 -1.19 -5.02 105.19 96.98 2iuf n GLY 361 Ca -0.02 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 45.13 2iuf n GLY 361 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iuf n PRO 362 N -0.76 0.05 -1.16 1.61 -0.04 -1.26 -4.29 135.00 129.14 2iuf n PRO 362 Ca 0.04 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2iuf n PRO 362 Cb 0.47 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 2iuf n PRO 362 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2iuf n ASN 363 N -1.61 4.38 0.25 3.54 3.02 -1.26 -4.57 115.26 119.02 2iuf n ASN 363 Ca 0.06 -3.53 0.10 0.00 -0.03 0.00 0.00 54.58 51.18 2iuf n ASN 363 Cb 0.35 -0.85 0.66 0.00 -0.61 0.00 0.00 39.78 39.34 2iuf n ASN 363 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2iuf h PHE 364 N 1.11 0.00 0.00 3.10 -5.15 -1.93 -1.41 116.94 112.66 2iuf h PHE 364 Ca 0.59 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.36 2iuf h PHE 364 Cb 2.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.57 2iuf h PHE 364 CO 1.46 0.11 0.00 0.39 -2.00 0.00 0.00 178.31 178.27 2iuf n GLU 365 N -4.04 0.05 0.00 6.09 -0.58 -1.26 -2.32 120.64 118.58 2iuf n GLU 365 Ca -0.02 0.23 0.13 0.00 -0.42 0.00 0.00 57.16 57.07 2iuf n GLU 365 Cb 0.20 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 29.95 2iuf n GLU 365 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2iuf n GLN 366 N -1.45 0.14 -1.88 3.49 6.02 -0.53 -3.26 117.38 119.90 2iuf n GLN 366 Ca 0.04 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 2iuf n GLN 366 Cb 0.16 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 2iuf n GLN 366 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2iuf s LEU 367 N -2.91 4.35 0.26 1.08 1.43 -0.98 -4.77 118.68 117.14 2iuf s LEU 367 Ca 0.15 2.94 -0.07 0.00 -1.03 0.00 0.00 54.13 56.12 2iuf s LEU 367 Cb 0.18 -3.66 0.46 0.00 0.03 0.00 0.00 46.19 43.21 2iuf s LEU 367 CO 0.62 -0.79 1.62 -0.65 0.23 0.00 0.00 176.35 177.38 2iuf h PRO 368 N 3.34 0.06 0.00 1.29 0.11 -1.91 0.17 132.00 135.07 2iuf h PRO 368 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2iuf h PRO 368 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2iuf h PRO 368 CO 0.66 0.04 -0.04 0.97 -0.21 0.00 0.00 178.00 179.43 2iuf h ILE 369 N 0.06 0.13 0.00 4.15 6.09 -1.90 -2.72 117.51 123.32 2iuf h ILE 369 Ca 0.44 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 2iuf h ILE 369 Cb 0.77 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.46 2iuf h ILE 369 CO -0.75 0.04 -1.18 0.59 -3.07 0.00 0.00 178.15 173.78 2iuf n ASN 370 N -3.20 0.60 -4.77 2.19 3.02 0.49 -4.94 115.26 108.66 2iuf n ASN 370 Ca -0.01 -0.36 -0.37 0.00 -0.03 0.00 0.00 54.58 53.82 2iuf n ASN 370 Cb 0.25 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 2iuf n ASN 370 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2iuf s ARG 371 N -3.20 3.51 0.82 3.52 0.52 -0.49 -4.86 118.95 118.78 2iuf s ARG 371 Ca 0.03 1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 56.90 2iuf s ARG 371 Cb 0.15 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.46 2iuf s ARG 371 CO 0.83 -0.76 1.14 -1.25 0.02 0.00 0.00 175.30 175.29 2iuf s PRO 372 N -2.94 1.90 -0.58 3.54 0.04 -1.26 -4.99 135.00 130.71 2iuf s PRO 372 Ca 0.68 0.28 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2iuf s PRO 372 Cb -0.29 -1.93 0.40 0.00 0.04 0.00 0.00 34.50 32.72 2iuf s PRO 372 CO 0.34 -1.67 1.47 0.54 0.04 0.00 0.00 177.00 177.71 2iuf n ARG 373 N -3.40 3.18 -3.61 4.56 5.12 -1.26 -4.97 116.66 116.27 2iuf n ARG 373 Ca 0.07 -4.10 -0.12 0.00 -1.93 0.00 0.00 57.85 51.77 2iuf n ARG 373 Cb 0.59 -2.26 -0.05 0.00 -1.16 0.00 0.00 32.46 29.58 2iuf n ARG 373 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2iuf s ALA 374 N -3.74 -1.13 0.56 7.54 0.00 -1.26 -4.58 121.76 119.14 2iuf s ALA 374 Ca 0.50 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 2iuf s ALA 374 Cb 0.42 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2iuf s ALA 374 CO -0.25 -0.55 1.29 -2.14 0.00 0.00 0.00 175.76 174.11 2iuf s PRO 375 N -2.94 3.10 -0.13 0.00 0.02 -1.26 -5.02 135.00 128.78 2iuf s PRO 375 Ca -0.02 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.07 2iuf s PRO 375 Cb 0.00 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.39 2iuf s PRO 375 CO -0.06 -1.16 -0.22 0.42 -0.33 0.00 0.00 177.00 175.65 2iuf s ILE 376 N -1.42 2.03 -0.24 2.83 1.01 -1.26 -5.02 121.20 119.13 2iuf s ILE 376 Ca 0.73 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2iuf s ILE 376 Cb -0.36 -1.79 0.13 0.00 0.01 0.00 0.00 42.46 40.45 2iuf s ILE 376 CO 0.41 0.55 0.35 -1.00 0.00 0.00 0.00 174.94 175.25 2iuf s HIS 377 N 0.72 -0.73 0.39 3.97 3.76 -1.26 -5.16 115.29 116.99 2iuf s HIS 377 Ca -0.10 0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 55.33 2iuf s HIS 377 Cb -0.16 -0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.51 2iuf s HIS 377 CO 0.00 -0.72 0.78 0.54 -0.85 0.00 0.00 174.74 174.49 2iuf s ASN 378 N 2.50 0.11 -0.02 1.40 2.20 -1.26 -4.95 114.94 114.92 2iuf s ASN 378 Ca 0.11 -1.23 0.21 0.00 -0.94 0.00 0.00 52.86 51.01 2iuf s ASN 378 Cb -0.15 0.85 0.64 0.00 -2.00 0.00 0.00 41.25 40.59 2iuf s ASN 378 CO -0.17 -1.70 1.53 0.59 -2.94 0.00 0.00 177.10 174.41 2iuf n ASN 379 N -1.52 3.94 -4.77 3.54 3.02 -1.26 -4.94 115.26 113.27 2iuf n ASN 379 Ca -0.08 -2.10 -0.39 0.00 -0.03 0.00 0.00 54.58 51.98 2iuf n ASN 379 Cb 0.60 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2iuf n ASN 379 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2iuf s ASN 380 N -0.97 6.14 0.04 6.41 0.01 -1.26 -4.85 114.94 120.46 2iuf s ASN 380 Ca 0.47 2.57 -0.02 0.00 -0.71 0.00 0.00 52.86 55.17 2iuf s ASN 380 Cb 0.26 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 2iuf s ASN 380 CO 0.30 -0.96 0.01 -0.13 -1.51 0.00 0.00 177.10 174.81 2iuf s ARG 381 N -2.45 0.53 4.97 -0.60 1.81 -1.26 -5.08 118.95 116.87 2iuf s ARG 381 Ca 0.61 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 2iuf s ARG 381 Cb -0.36 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.34 2iuf s ARG 381 CO 0.45 -0.11 0.00 -0.25 -0.68 0.00 0.00 175.30 174.71 2iuf n ASP 382 N 0.70 0.00 0.00 0.23 8.00 -1.26 -5.04 116.55 119.18 2iuf n ASP 382 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2iuf n ASP 382 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2iuf n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iuf n GLY 383 N 0.00 -1.76 3.54 0.44 0.00 -1.26 -4.67 105.19 101.48 2iuf n GLY 383 Ca 0.00 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 2iuf n GLY 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuf n ALA 384 N -0.55 -0.53 -2.86 4.61 0.00 -1.26 -2.81 120.51 117.11 2iuf n ALA 384 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 2iuf n ALA 384 Cb 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 19.45 17.53 2iuf n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuf n GLY 385 N 1.50 -0.20 3.61 0.00 0.00 -1.26 -4.27 105.19 104.57 2iuf n GLY 385 Ca 0.11 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2iuf n GLY 385 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2iuf s GLN 386 N -5.44 3.66 0.08 1.61 2.00 -1.12 -4.81 119.66 115.63 2iuf s GLN 386 Ca 0.24 1.00 0.23 0.00 -2.00 0.00 0.00 55.36 54.83 2iuf s GLN 386 Cb -0.11 -3.99 0.16 0.00 0.80 0.00 0.00 33.01 29.87 2iuf s GLN 386 CO 0.30 -1.46 1.14 -1.33 -0.50 0.00 0.00 175.29 173.44 2iuf n MET 387 N 7.90 0.31 -3.67 1.67 2.81 -1.26 -4.94 117.12 119.94 2iuf n MET 387 Ca 0.16 0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.88 2iuf n MET 387 Cb 0.48 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 31.33 2iuf n MET 387 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2iuf s PHE 388 N -3.20 2.98 -0.38 2.03 0.08 -1.26 -5.10 117.98 113.14 2iuf s PHE 388 Ca 0.04 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.84 2iuf s PHE 388 Cb 0.14 -1.88 0.11 0.00 -0.57 0.00 0.00 43.02 40.82 2iuf s PHE 388 CO 0.77 0.10 0.15 0.42 -0.10 0.00 0.00 175.22 176.55 2iuf s ILE 389 N -2.26 1.54 0.07 0.64 1.01 -1.26 -5.06 121.20 115.89 2iuf s ILE 389 Ca 0.43 -2.17 -0.31 0.00 0.00 0.00 0.00 60.65 58.60 2iuf s ILE 389 Cb -0.07 -2.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 2iuf s ILE 389 CO 0.28 -0.74 1.52 -2.84 0.00 0.00 0.00 174.94 173.16 2iuf s PRO 390 N 0.87 4.25 0.28 2.79 0.02 -1.26 -4.91 135.00 137.04 2iuf s PRO 390 Ca 0.13 2.18 0.15 0.00 0.02 0.00 0.00 61.00 63.48 2iuf s PRO 390 Cb -0.21 -3.46 0.11 0.00 0.02 0.00 0.00 34.50 30.96 2iuf s PRO 390 CO -0.11 -0.61 1.46 -0.07 -0.33 0.00 0.00 177.00 177.34 2iuf h LEU 391 N 7.91 0.00 -8.87 -5.54 3.38 -2.01 -3.44 115.31 106.75 2iuf h LEU 391 Ca -0.41 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.98 2iuf h LEU 391 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 2iuf h LEU 391 CO 0.91 0.51 0.74 -0.62 0.09 0.00 0.00 178.44 180.06 2iuf s ASP 392 N -6.46 6.77 0.00 -0.43 2.15 -1.26 -4.90 116.67 112.53 2iuf s ASP 392 Ca 0.04 0.75 0.31 0.00 0.43 0.00 0.00 52.55 54.08 2iuf s ASP 392 Cb 0.08 -2.51 1.70 0.00 -0.30 0.00 0.00 42.92 41.89 2iuf s ASP 392 CO 0.74 -0.91 2.12 -0.81 -0.17 0.00 0.00 175.17 176.14 2iuf n PRO 393 N 6.94 0.94 -3.62 4.34 -0.04 -1.26 -4.39 135.00 137.92 2iuf n PRO 393 Ca 0.10 -0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 2iuf n PRO 393 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 2iuf n PRO 393 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2iuf n ASN 394 N -0.92 3.68 -3.70 3.54 3.02 -1.26 -5.01 115.26 114.61 2iuf n ASN 394 Ca 0.21 -3.32 -0.41 0.00 -0.03 0.00 0.00 54.58 51.03 2iuf n ASN 394 Cb 0.17 -0.79 0.01 0.00 -0.61 0.00 0.00 39.78 38.56 2iuf n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iuf n ALA 395 N 1.49 6.03 -3.02 5.41 0.00 -1.26 -4.84 120.51 124.33 2iuf n ALA 395 Ca 0.25 -4.38 -0.12 0.00 0.00 0.00 0.00 53.44 49.19 2iuf n ALA 395 Cb 0.38 -2.63 -0.07 0.00 0.00 0.00 0.00 19.45 17.13 2iuf n ALA 395 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2iuf s TYR 396 N -1.73 -0.14 0.13 0.00 1.13 -1.26 -4.87 117.35 110.62 2iuf s TYR 396 Ca 0.43 -0.01 0.11 0.00 -1.41 0.00 0.00 57.07 56.19 2iuf s TYR 396 Cb 0.14 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2iuf s TYR 396 CO -0.04 -0.54 -0.26 -1.12 -2.51 0.00 0.00 175.55 171.07 2iuf s SER 397 N -2.17 3.26 0.30 -0.18 0.01 -1.26 -3.93 113.70 109.73 2iuf s SER 397 Ca -0.04 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.20 2iuf s SER 397 Cb -0.00 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 2iuf s SER 397 CO -0.04 0.17 1.01 -2.84 0.41 0.00 0.00 173.24 171.94 2iuf s PRO 398 N -2.08 4.59 0.14 12.44 0.02 -1.26 -5.18 135.00 143.67 2iuf s PRO 398 Ca 0.14 1.55 0.08 0.00 0.02 0.00 0.00 61.00 62.79 2iuf s PRO 398 Cb -0.10 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2iuf s PRO 398 CO 0.06 0.24 -0.19 0.54 -0.33 0.00 0.00 177.00 177.31 2iuf s ASN 399 N -1.27 2.65 -0.06 2.53 2.20 -1.25 -5.00 114.94 114.73 2iuf s ASN 399 Ca 0.48 -0.79 0.14 0.00 -0.94 0.00 0.00 52.86 51.74 2iuf s ASN 399 Cb -0.25 -0.15 -0.21 0.00 -2.00 0.00 0.00 41.25 38.63 2iuf s ASN 399 CO 0.32 0.01 0.24 0.35 -2.94 0.00 0.00 177.10 175.08 2iuf n THR 400 N 0.60 0.29 0.28 0.54 -2.24 -1.26 -1.90 114.28 110.59 2iuf n THR 400 Ca -0.16 -0.42 0.17 0.00 -2.27 0.00 0.00 64.05 61.38 2iuf n THR 400 Cb 0.56 -0.08 0.80 0.00 -2.10 0.00 0.00 70.33 69.51 2iuf n THR 400 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2iuf h GLU 401 N 0.00 0.00 -0.16 -0.78 4.39 -1.96 -0.97 114.58 115.10 2iuf h GLU 401 Ca -0.11 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2iuf h GLU 401 Cb 1.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 2iuf h GLU 401 CO 0.01 0.05 -0.23 -1.71 -1.16 0.00 0.00 179.01 175.96 2iuf n ASN 402 N -3.25 2.26 -2.42 1.42 5.15 -1.26 -4.99 115.26 112.17 2iuf n ASN 402 Ca -0.01 -3.69 -0.17 0.00 -0.60 0.00 0.00 54.58 50.11 2iuf n ASN 402 Cb 0.25 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.92 2iuf n ASN 402 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2iuf n LYS 403 N -1.11 -1.90 -0.92 1.20 5.02 -0.37 -2.37 118.16 117.70 2iuf n LYS 403 Ca 0.25 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2iuf n LYS 403 Cb 0.84 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 2iuf n LYS 403 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iuf n GLY 404 N -0.93 0.49 3.61 0.72 0.00 -0.80 -4.98 105.19 103.30 2iuf n GLY 404 Ca -0.21 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2iuf n GLY 404 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2iuf s SER 405 N -2.43 4.66 0.53 1.61 0.15 -1.00 -3.71 113.70 113.51 2iuf s SER 405 Ca 0.00 -0.22 -0.21 0.00 0.70 0.00 0.00 55.95 56.21 2iuf s SER 405 Cb 0.00 -1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 2iuf s SER 405 CO 0.00 0.22 1.25 -2.84 1.20 0.00 0.00 173.24 173.08 2iuf s PRO 406 N -1.88 3.31 0.03 5.44 0.02 -1.26 -4.78 135.00 135.89 2iuf s PRO 406 Ca 0.21 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 2iuf s PRO 406 Cb -0.11 -2.23 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 2iuf s PRO 406 CO 0.12 -0.97 0.53 0.15 -0.33 0.00 0.00 177.00 176.50 2iuf s LYS 407 N -2.94 4.16 0.33 5.54 1.02 -1.24 -4.99 119.74 121.62 2iuf s LYS 407 Ca 0.70 0.65 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 2iuf s LYS 407 Cb -0.34 -3.26 -0.12 0.00 -0.52 0.00 0.00 37.83 33.59 2iuf s LYS 407 CO 0.40 0.58 1.44 1.04 -0.92 0.00 0.00 175.35 177.89 2iuf n GLN 408 N 2.00 2.44 -5.20 1.68 1.13 -1.26 -5.02 117.38 113.15 2iuf n GLN 408 Ca -0.10 0.86 -0.31 0.00 -1.94 0.00 0.00 57.00 55.50 2iuf n GLN 408 Cb 0.51 -2.55 -0.17 0.00 0.11 0.00 0.00 30.24 28.15 2iuf n GLN 408 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2iuf s ALA 409 N -0.75 2.11 0.00 -1.58 0.00 -1.26 -4.80 121.76 115.48 2iuf s ALA 409 Ca 0.58 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2iuf s ALA 409 Cb -0.53 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2iuf s ALA 409 CO 0.58 0.34 0.00 0.27 0.00 0.00 0.00 175.76 176.95 2iuf n ASN 410 N 3.27 0.00 -0.26 0.00 0.23 0.16 -4.35 115.26 114.32 2iuf n ASN 410 Ca -0.18 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.83 2iuf n ASN 410 Cb 0.53 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.30 2iuf n ASN 410 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2iuf h GLU 411 N 0.00 0.89 0.00 -3.83 4.81 -1.78 -0.52 114.58 114.15 2iuf h GLU 411 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2iuf h GLU 411 Cb 0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2iuf h GLU 411 CO 0.00 0.59 -0.88 0.25 -0.73 0.00 0.00 179.01 178.23 2iuf n THR 412 N -4.63 0.00 -3.74 0.32 -2.24 -1.26 -4.75 114.28 97.98 2iuf n THR 412 Ca 0.08 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 2iuf n THR 412 Cb 0.07 0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 68.95 2iuf n THR 412 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2iuf s VAL 413 N -3.00 -0.08 0.00 2.28 -7.23 -1.21 -4.89 120.40 106.27 2iuf s VAL 413 Ca 0.09 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2iuf s VAL 413 Cb 0.16 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.91 2iuf s VAL 413 CO 0.83 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 176.32 2iuf n GLY 414 N 4.37 0.60 3.74 2.32 0.00 -1.26 -0.66 105.19 114.30 2iuf n GLY 414 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2iuf n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iuf n LYS 415 N -2.79 -6.13 -1.96 1.61 5.02 -1.26 -4.78 118.16 107.87 2iuf n LYS 415 Ca 0.00 0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 56.61 2iuf n LYS 415 Cb 0.00 -5.56 0.04 0.00 -0.02 0.00 0.00 35.03 29.49 2iuf n LYS 415 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2iuf s GLY 416 N -3.64 2.77 0.53 0.72 0.00 -0.21 -4.86 107.32 102.62 2iuf s GLY 416 Ca 0.44 1.06 -0.21 0.00 0.00 0.00 0.00 44.72 46.01 2iuf s GLY 416 CO 0.79 1.46 0.99 0.33 0.00 0.00 0.00 173.10 176.67 2iuf n PHE 417 N -1.62 0.98 -3.76 1.90 7.35 -1.26 -4.37 117.46 116.69 2iuf n PHE 417 Ca 0.14 0.48 -0.13 0.00 -0.76 0.00 0.00 57.45 57.18 2iuf n PHE 417 Cb 0.49 -2.18 -0.10 0.00 0.35 0.00 0.00 39.48 38.04 2iuf n PHE 417 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 2iuf s PHE 418 N -1.42 -0.33 0.36 -5.13 -0.71 -1.26 -4.47 117.98 105.01 2iuf s PHE 418 Ca 0.70 0.77 -0.28 0.00 -1.04 0.00 0.00 56.93 57.09 2iuf s PHE 418 Cb -0.47 0.12 -0.10 0.00 -1.21 0.00 0.00 43.02 41.37 2iuf s PHE 418 CO 0.52 -0.23 1.28 0.99 -1.34 0.00 0.00 175.22 176.44 2iuf s THR 419 N -0.15 2.77 0.10 -4.49 2.01 -1.26 -4.85 115.64 109.77 2iuf s THR 419 Ca -0.03 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 2iuf s THR 419 Cb -0.03 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 2iuf s THR 419 CO 0.01 0.15 1.80 0.00 -0.69 0.00 0.00 174.62 175.89 2iuf s ALA 420 N -1.21 3.73 -0.64 7.40 0.00 -1.26 -4.82 121.76 124.96 2iuf s ALA 420 Ca 0.52 1.38 0.25 0.00 0.00 0.00 0.00 51.96 54.11 2iuf s ALA 420 Cb -0.38 -3.76 0.90 0.00 0.00 0.00 0.00 23.12 19.88 2iuf s ALA 420 CO 0.50 -1.23 1.75 -0.35 0.00 0.00 0.00 175.76 176.42 2iuf n PRO 421 N 5.84 0.22 0.00 0.00 -0.04 -1.26 -2.51 135.00 137.25 2iuf n PRO 421 Ca 0.17 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 2iuf n PRO 421 Cb 0.39 -1.81 0.47 0.00 -0.04 0.00 0.00 33.50 32.50 2iuf n PRO 421 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2iuf n GLU 422 N -2.21 1.38 -1.90 0.54 -0.58 -1.26 -4.92 120.64 111.69 2iuf n GLU 422 Ca 0.04 -0.81 -0.41 0.00 -0.42 0.00 0.00 57.16 55.56 2iuf n GLU 422 Cb 0.34 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 2iuf n GLU 422 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2iuf s ARG 423 N -2.18 4.19 0.14 3.49 0.52 -1.04 -5.02 118.95 119.05 2iuf s ARG 423 Ca 0.33 2.46 0.02 0.00 -0.52 0.00 0.00 55.73 58.02 2iuf s ARG 423 Cb 0.20 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2iuf s ARG 423 CO 0.40 -0.44 -0.03 0.95 0.02 0.00 0.00 175.30 176.20 2iuf s THR 424 N -0.95 0.71 0.12 0.02 -4.23 -1.26 -5.08 115.64 104.97 2iuf s THR 424 Ca 0.53 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 2iuf s THR 424 Cb -0.44 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2iuf s THR 424 CO 0.58 -0.64 -0.25 0.00 -0.54 0.00 0.00 174.62 173.76 2iuf s ALA 425 N -3.63 2.44 -0.28 3.99 0.00 -1.26 -5.14 121.76 117.88 2iuf s ALA 425 Ca 0.19 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 2iuf s ALA 425 Cb 0.06 -0.45 0.08 0.00 0.00 0.00 0.00 23.12 22.81 2iuf s ALA 425 CO 0.00 0.55 0.71 0.45 0.00 0.00 0.00 175.76 177.48 2iuf s SER 426 N -2.04 -0.86 0.00 0.00 0.15 -1.26 -5.17 113.70 104.52 2iuf s SER 426 Ca 0.15 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2iuf s SER 426 Cb -0.10 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 2iuf s SER 426 CO 0.07 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2iuf n GLY 427 N 3.75 1.16 3.78 9.45 0.00 -1.26 -5.05 105.19 117.02 2iuf n GLY 427 Ca -0.18 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 2iuf n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuf s LYS 428 N -1.14 4.41 0.15 1.61 1.02 -1.26 -4.99 119.74 119.54 2iuf s LYS 428 Ca 0.00 1.47 -0.31 0.00 0.02 0.00 0.00 55.97 57.15 2iuf s LYS 428 Cb 0.00 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 2iuf s LYS 428 CO 0.00 0.09 1.43 -0.51 -0.92 0.00 0.00 175.35 175.44 2iuf s LEU 429 N -2.22 4.38 0.01 3.17 1.43 -1.26 -4.98 118.68 119.21 2iuf s LEU 429 Ca 0.53 2.45 -0.28 0.00 -1.03 0.00 0.00 54.13 55.79 2iuf s LEU 429 Cb -0.22 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.49 2iuf s LEU 429 CO 0.28 -0.69 0.71 0.00 0.23 0.00 0.00 176.35 176.88 2iuf s GLN 430 N 0.80 1.06 -0.62 1.70 -2.07 -1.26 -5.09 119.66 114.17 2iuf s GLN 430 Ca 0.64 -0.04 -0.04 0.00 -1.82 0.00 0.00 55.36 54.11 2iuf s GLN 430 Cb -0.39 0.49 0.16 0.00 -1.09 0.00 0.00 33.01 32.18 2iuf s GLN 430 CO 0.33 -0.39 0.45 1.03 -1.32 0.00 0.00 175.29 175.38 2iuf s ARG 431 N -2.17 2.60 0.04 9.60 0.52 -1.26 -5.07 118.95 123.22 2iuf s ARG 431 Ca -0.05 -2.46 -0.03 0.00 -0.52 0.00 0.00 55.73 52.67 2iuf s ARG 431 Cb -0.00 -3.78 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 2iuf s ARG 431 CO 0.00 -1.18 0.03 0.95 0.02 0.00 0.00 175.30 175.13 2iuf s THR 432 N 0.07 0.16 -0.19 0.02 -4.23 -1.26 -5.13 115.64 105.08 2iuf s THR 432 Ca 0.16 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 2iuf s THR 432 Cb -0.20 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 2iuf s THR 432 CO -0.04 -0.73 0.55 -0.22 -0.54 0.00 0.00 174.62 173.64 2iuf s LEU 433 N -2.35 4.16 0.26 4.79 2.96 -1.26 -5.03 118.68 122.21 2iuf s LEU 433 Ca -0.02 0.73 -0.31 0.00 -0.22 0.00 0.00 54.13 54.32 2iuf s LEU 433 Cb 0.01 -2.76 -0.12 0.00 0.50 0.00 0.00 46.19 43.82 2iuf s LEU 433 CO -0.06 -0.19 1.53 -0.24 -1.32 0.00 0.00 176.35 176.07 2iuf n SER 434 N 4.77 3.41 0.31 3.68 2.88 -1.26 -4.86 113.62 122.54 2iuf n SER 434 Ca -0.04 1.14 0.19 0.00 -1.33 0.00 0.00 58.87 58.83 2iuf n SER 434 Cb 0.50 -1.52 0.99 0.00 -0.75 0.00 0.00 64.21 63.44 2iuf n SER 434 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2iuf h THR 435 N 3.28 0.12 0.00 2.46 1.35 -2.03 -1.51 112.91 116.58 2iuf h THR 435 Ca -0.46 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2iuf h THR 435 Cb 1.24 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2iuf h THR 435 CO 0.80 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 176.43 2iuf n THR 436 N -3.22 0.68 0.56 6.82 -2.24 -1.26 -3.03 114.28 112.59 2iuf n THR 436 Ca -0.02 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 2iuf n THR 436 Cb 0.16 -0.87 0.24 0.00 -2.10 0.00 0.00 70.33 67.75 2iuf n THR 436 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2iuf n PHE 437 N -1.42 0.39 0.89 4.78 3.01 -0.57 -4.29 117.46 120.26 2iuf n PHE 437 Ca 0.06 -0.20 0.12 0.00 1.01 0.00 0.00 57.45 58.45 2iuf n PHE 437 Cb 0.18 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 39.97 2iuf n PHE 437 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2iuf n GLU 438 N 1.26 0.08 -2.81 -1.08 1.02 -1.17 -4.59 120.64 113.35 2iuf n GLU 438 Ca 0.18 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.92 2iuf n GLU 438 Cb 0.56 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2iuf n GLU 438 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2iuf s ASN 439 N -3.35 6.20 0.00 1.62 3.84 -1.26 -4.85 114.94 117.14 2iuf s ASN 439 Ca 0.11 -0.96 0.28 0.00 0.21 0.00 0.00 52.86 52.49 2iuf s ASN 439 Cb 0.17 -2.44 1.01 0.00 -0.55 0.00 0.00 41.25 39.43 2iuf s ASN 439 CO 0.66 -1.49 1.72 0.59 -2.79 0.00 0.00 177.10 175.79 2iuf n ASN 440 N 7.94 1.20 0.00 -4.21 3.02 -1.26 -4.61 115.26 117.34 2iuf n ASN 440 Ca -0.01 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2iuf n ASN 440 Cb 0.46 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2iuf n ASN 440 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2iuf n TRP 441 N -0.23 0.00 -0.25 3.10 8.01 -1.26 -4.58 117.44 122.23 2iuf n TRP 441 Ca 0.17 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.29 2iuf n TRP 441 Cb 0.34 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.68 2iuf n TRP 441 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2iuf h SER 442 N 0.00 0.90 0.04 -0.99 0.02 -1.81 -1.64 113.55 110.07 2iuf h SER 442 Ca 0.00 -0.14 -0.24 0.00 -0.84 0.00 0.00 61.79 60.57 2iuf h SER 442 Cb 0.86 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.18 2iuf h SER 442 CO 0.00 0.79 -0.94 1.56 -1.14 0.00 0.00 176.83 177.11 2iuf h GLN 443 N 0.96 0.66 -0.89 3.45 4.20 -1.87 0.12 115.11 121.74 2iuf h GLN 443 Ca 0.23 -0.65 0.17 0.00 0.06 0.00 0.00 58.65 58.47 2iuf h GLN 443 Cb 0.14 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 2iuf h GLN 443 CO -0.03 1.25 0.58 -1.35 -0.67 0.00 0.00 178.83 178.61 2iuf h PRO 444 N 0.40 0.54 -0.41 1.46 0.11 -1.79 -0.77 132.00 131.54 2iuf h PRO 444 Ca -0.09 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.84 2iuf h PRO 444 Cb 1.57 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.55 2iuf h PRO 444 CO 0.18 0.36 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.91 2iuf h ARG 445 N 0.55 0.93 -0.50 1.05 9.65 -0.88 -0.29 114.38 124.89 2iuf h ARG 445 Ca 0.46 -0.45 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2iuf h ARG 445 Cb 0.92 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.43 2iuf h ARG 445 CO -0.20 1.11 0.08 1.25 2.80 0.00 0.00 179.97 185.01 2iuf h LEU 446 N 0.77 -0.04 0.15 3.80 5.85 -0.12 0.63 115.31 126.35 2iuf h LEU 446 Ca 0.08 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2iuf h LEU 446 Cb 0.91 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2iuf h LEU 446 CO 0.08 0.01 -0.07 0.15 -0.34 0.00 0.00 178.44 178.27 2iuf h PHE 447 N 0.21 -0.19 -0.60 1.25 3.57 -0.77 -2.76 116.94 117.65 2iuf h PHE 447 Ca 0.25 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.86 2iuf h PHE 447 Cb 0.35 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 2iuf h PHE 447 CO -0.24 0.03 0.15 2.35 -2.23 0.00 0.00 178.31 178.37 2iuf h TRP 448 N -0.39 0.24 0.00 0.41 2.91 -0.84 -1.48 115.95 116.80 2iuf h TRP 448 Ca -0.02 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 2iuf h TRP 448 Cb 0.31 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2iuf h TRP 448 CO -0.01 -0.01 -0.01 -0.91 -1.03 0.00 0.00 178.44 176.47 2iuf h ASN 449 N 0.28 0.00 0.03 2.65 2.35 -0.75 -2.95 115.58 117.18 2iuf h ASN 449 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2iuf h ASN 449 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2iuf h ASN 449 CO -0.39 0.01 -0.04 -1.20 -1.65 0.00 0.00 177.43 174.15 2iuf n SER 450 N -4.29 1.44 -4.87 5.81 7.64 -0.56 -4.91 113.62 113.88 2iuf n SER 450 Ca -0.03 -1.40 -0.32 0.00 1.01 0.00 0.00 58.87 58.13 2iuf n SER 450 Cb 0.09 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2iuf n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2iuf s LEU 451 N -2.09 4.17 0.77 -3.43 1.43 -1.12 -4.64 118.68 113.77 2iuf s LEU 451 Ca 0.35 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 2iuf s LEU 451 Cb 0.21 -3.68 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2iuf s LEU 451 CO 0.37 -0.07 1.14 0.68 0.23 0.00 0.00 176.35 178.69 2iuf s VAL 452 N -1.82 2.75 0.37 -1.59 -7.23 -1.26 -4.78 120.40 106.85 2iuf s VAL 452 Ca 0.47 0.29 0.07 0.00 -1.81 0.00 0.00 61.98 61.01 2iuf s VAL 452 Cb -0.11 -2.69 0.30 0.00 0.56 0.00 0.00 36.38 34.44 2iuf s VAL 452 CO 0.21 -0.27 1.94 0.78 -0.31 0.00 0.00 175.10 177.45 2iuf h ASN 453 N -0.88 0.63 -0.77 4.85 2.35 -1.98 -1.10 115.58 118.68 2iuf h ASN 453 Ca -0.45 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2iuf h ASN 453 Cb 1.26 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.47 2iuf h ASN 453 CO 0.49 0.39 0.37 0.00 -1.65 0.00 0.00 177.43 177.03 2iuf h ALA 454 N 1.61 0.99 0.00 -0.83 0.00 -1.94 -1.59 119.26 117.51 2iuf h ALA 454 Ca 0.34 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2iuf h ALA 454 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2iuf h ALA 454 CO -0.12 0.55 -0.71 0.37 0.00 0.00 0.00 179.25 179.34 2iuf h GLN 455 N 1.08 0.00 -0.68 0.00 4.15 -1.58 0.64 115.11 118.73 2iuf h GLN 455 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.72 2iuf h GLN 455 Cb 0.11 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2iuf h GLN 455 CO -0.03 0.71 0.42 0.87 -1.93 0.00 0.00 178.83 178.86 2iuf h LYS 456 N 0.00 0.79 -0.59 1.69 1.57 -1.17 -1.29 116.57 117.56 2iuf h LYS 456 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2iuf h LYS 456 Cb 1.28 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2iuf h LYS 456 CO 0.09 0.52 0.07 1.49 -0.57 0.00 0.00 179.45 181.05 2iuf h GLU 457 N 0.81 0.97 -0.69 3.15 4.57 -0.67 -1.37 114.58 121.35 2iuf h GLU 457 Ca 0.28 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2iuf h GLU 457 Cb 0.04 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2iuf h GLU 457 CO -0.12 0.91 0.38 0.74 -1.18 0.00 0.00 179.01 179.75 2iuf h PHE 458 N 0.91 0.95 -0.12 0.92 0.04 -0.45 0.30 116.94 119.48 2iuf h PHE 458 Ca 0.18 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 2iuf h PHE 458 Cb 0.44 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2iuf h PHE 458 CO 0.03 0.67 0.06 0.82 -0.60 0.00 0.00 178.31 179.29 2iuf h ILE 459 N 0.95 1.10 -0.35 -0.55 2.04 -0.89 0.55 117.51 120.37 2iuf h ILE 459 Ca 0.24 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2iuf h ILE 459 Cb 0.03 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2iuf h ILE 459 CO -0.04 0.09 0.09 0.58 0.00 0.00 0.00 178.15 178.87 2iuf h VAL 460 N 0.08 0.86 0.00 1.67 2.07 -0.76 -2.54 116.25 117.63 2iuf h VAL 460 Ca 0.04 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2iuf h VAL 460 Cb 0.09 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2iuf h VAL 460 CO -0.01 0.04 -0.42 0.44 0.02 0.00 0.00 177.57 177.64 2iuf h ASP 461 N 0.22 0.00 0.00 0.57 3.32 -0.26 0.11 116.42 120.38 2iuf h ASP 461 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2iuf h ASP 461 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2iuf h ASP 461 CO -0.19 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 2iuf n ALA 462 N -2.46 1.67 0.00 3.45 0.00 0.17 -1.46 120.51 121.89 2iuf n ALA 462 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2iuf n ALA 462 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2iuf n ALA 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2iuf n ARG 464 N 0.26 0.00 0.08 0.00 1.74 0.38 -0.72 116.66 118.40 2iuf n ARG 464 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2iuf n ARG 464 Cb 0.11 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.50 2iuf n ARG 464 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2iuf h PHE 465 N 0.00 -0.47 0.03 -1.55 3.57 -1.50 -2.14 116.94 114.88 2iuf h PHE 465 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2iuf h PHE 465 Cb 0.00 0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2iuf h PHE 465 CO 0.00 -0.26 -0.02 0.93 -2.23 0.00 0.00 178.31 176.73 2iuf h GLU 466 N -0.32 -0.04 0.00 1.11 4.39 -1.19 -3.10 114.58 115.42 2iuf h GLU 466 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2iuf h GLU 466 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2iuf h GLU 466 CO -0.13 0.14 0.00 1.79 -1.16 0.00 0.00 179.01 179.65 2iuf h THR 467 N -0.23 0.00 0.00 1.13 1.35 -1.80 -1.61 112.91 111.76 2iuf h THR 467 Ca -0.00 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2iuf h THR 467 Cb 0.21 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2iuf h THR 467 CO 0.01 0.00 -0.03 0.77 -0.25 0.00 0.00 175.52 176.02 2iuf h SER 468 N 0.00 0.00 -0.17 5.36 4.64 -1.30 -1.94 113.55 120.14 2iuf h SER 468 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 468 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2iuf h SER 468 CO 0.00 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 2iuf n ASN 469 N -3.22 1.74 -4.61 4.97 3.02 -0.60 -4.82 115.26 111.74 2iuf n ASN 469 Ca -0.01 -1.71 -0.40 0.00 -0.03 0.00 0.00 54.58 52.43 2iuf n ASN 469 Cb 0.20 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 2iuf n ASN 469 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2iuf s VAL 470 N -1.79 5.10 0.10 2.41 1.01 -0.73 -4.40 120.40 122.10 2iuf s VAL 470 Ca 0.33 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 62.97 2iuf s VAL 470 Cb 0.18 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.54 2iuf s VAL 470 CO 0.27 0.10 1.22 0.28 0.00 0.00 0.00 175.10 176.97 2iuf h SER 471 N 8.09 0.71 -2.72 3.32 0.02 -1.87 -3.45 113.55 117.64 2iuf h SER 471 Ca -0.30 -0.59 -0.56 0.00 -0.84 0.00 0.00 61.79 59.50 2iuf h SER 471 Cb 1.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2iuf h SER 471 CO 0.69 1.40 1.03 -0.55 -1.14 0.00 0.00 176.83 178.26 2iuf s SER 472 N -7.22 6.74 0.37 3.07 0.15 -1.26 -4.90 113.70 110.65 2iuf s SER 472 Ca -0.08 2.01 0.12 0.00 0.70 0.00 0.00 55.95 58.70 2iuf s SER 472 Cb 0.08 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.57 2iuf s SER 472 CO 0.90 -0.89 1.84 0.77 1.20 0.00 0.00 173.24 177.05 2iuf h SER 473 N 9.18 0.06 -0.37 5.45 4.64 -2.00 -1.69 113.55 128.83 2iuf h SER 473 Ca -0.35 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2iuf h SER 473 Cb 1.15 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2iuf h SER 473 CO 0.96 0.39 0.18 0.58 -0.87 0.00 0.00 176.83 178.06 2iuf h VAL 474 N 0.05 1.17 -0.27 0.95 2.07 -1.99 -0.69 116.25 117.54 2iuf h VAL 474 Ca 0.01 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2iuf h VAL 474 Cb 0.61 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2iuf h VAL 474 CO 0.04 0.18 0.09 0.58 0.02 0.00 0.00 177.57 178.48 2iuf h VAL 475 N 0.46 1.19 -0.53 2.57 2.07 -1.89 0.58 116.25 120.70 2iuf h VAL 475 Ca 0.13 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2iuf h VAL 475 Cb 0.12 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2iuf h VAL 475 CO -0.02 0.20 0.23 0.03 0.02 0.00 0.00 177.57 178.04 2iuf h ARG 476 N 0.27 0.43 -0.57 1.57 3.08 -1.10 0.54 114.38 118.60 2iuf h ARG 476 Ca 0.09 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2iuf h ARG 476 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2iuf h ARG 476 CO -0.00 0.29 0.10 -0.44 -1.07 0.00 0.00 179.97 178.84 2iuf h ASP 477 N 0.45 0.90 -0.81 7.04 3.32 -0.88 -2.28 116.42 124.17 2iuf h ASP 477 Ca 0.25 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2iuf h ASP 477 Cb 0.22 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2iuf h ASP 477 CO -0.21 0.93 0.46 0.44 -1.72 0.00 0.00 179.24 179.14 2iuf h ASP 478 N 0.84 1.00 -0.19 6.45 3.32 -0.33 -1.24 116.42 126.27 2iuf h ASP 478 Ca 0.17 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2iuf h ASP 478 Cb 0.41 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2iuf h ASP 478 CO 0.01 0.79 0.09 0.58 -1.72 0.00 0.00 179.24 178.99 2iuf h VAL 479 N 1.13 1.13 -0.67 -1.35 2.07 -0.64 -2.47 116.25 115.45 2iuf h VAL 479 Ca 0.29 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2iuf h VAL 479 Cb -0.00 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2iuf h VAL 479 CO -0.05 0.12 0.42 0.40 0.02 0.00 0.00 177.57 178.48 2iuf h ILE 480 N 0.18 1.19 -0.61 4.57 1.08 -1.04 0.32 117.51 123.19 2iuf h ILE 480 Ca 0.06 -0.39 0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2iuf h ILE 480 Cb 0.11 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.02 2iuf h ILE 480 CO -0.01 0.19 0.22 0.40 -0.69 0.00 0.00 178.15 178.26 2iuf h ILE 481 N 0.91 0.75 -0.16 -0.67 2.04 -1.17 -0.03 117.51 119.19 2iuf h ILE 481 Ca 0.24 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 2iuf h ILE 481 Cb -0.06 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2iuf h ILE 481 CO -0.05 0.07 -0.39 1.56 0.00 0.00 0.00 178.15 179.34 2iuf h GLN 482 N 0.39 0.54 -0.99 2.37 1.08 -0.94 -2.90 115.11 114.66 2iuf h GLN 482 Ca 0.31 -0.37 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2iuf h GLN 482 Cb 0.40 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.81 2iuf h GLN 482 CO -0.32 0.99 0.63 -0.07 -0.95 0.00 0.00 178.83 179.11 2iuf h LEU 483 N 0.17 0.94 -2.20 1.46 3.38 -0.78 -2.07 115.31 116.22 2iuf h LEU 483 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2iuf h LEU 483 Cb 1.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2iuf h LEU 483 CO 0.08 0.53 -0.04 -1.13 0.09 0.00 0.00 178.44 177.98 2iuf h ASN 484 N 1.03 0.00 1.76 -0.43 -1.24 -0.80 -0.60 115.58 115.30 2iuf h ASN 484 Ca 0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.48 2iuf h ASN 484 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2iuf h ASN 484 CO -0.23 0.04 0.00 0.03 -1.29 0.00 0.00 177.43 175.98 2iuf h ARG 485 N 0.00 0.00 0.02 6.67 3.08 -1.26 -3.22 114.38 119.67 2iuf h ARG 485 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2iuf h ARG 485 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2iuf h ARG 485 CO 0.01 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.72 2iuf h ILE 486 N 0.00 0.96 -1.85 2.04 2.04 -1.15 -3.40 117.51 116.15 2iuf h ILE 486 Ca 0.00 -1.66 0.07 0.00 1.00 0.00 0.00 64.86 64.27 2iuf h ILE 486 Cb 0.88 1.79 -0.21 0.00 -0.74 0.00 0.00 36.82 38.54 2iuf h ILE 486 CO 0.00 0.32 -0.00 -0.55 0.00 0.00 0.00 178.15 177.92 2iuf s SER 487 N -5.86 -0.97 0.49 1.72 0.15 -0.58 -4.65 113.70 104.00 2iuf s SER 487 Ca -0.11 1.41 0.20 0.00 0.70 0.00 0.00 55.95 58.16 2iuf s SER 487 Cb -0.01 1.86 1.24 0.00 -1.71 0.00 0.00 66.02 67.39 2iuf s SER 487 CO 0.38 -0.21 2.05 -0.78 1.20 0.00 0.00 173.24 175.89 2iuf h ASP 488 N 7.48 0.00 0.17 5.45 3.58 -1.82 -2.20 116.42 129.07 2iuf h ASP 488 Ca -0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 2iuf h ASP 488 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2iuf h ASP 488 CO 0.12 0.13 -0.08 -1.13 -2.88 0.00 0.00 179.24 175.41 2iuf h ASN 489 N 0.00 -0.19 -0.29 2.28 -0.00 -1.94 -0.75 115.58 114.68 2iuf h ASN 489 Ca -0.00 -0.29 0.06 0.00 -0.00 0.00 0.00 56.30 56.07 2iuf h ASN 489 Cb 0.27 0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 38.58 2iuf h ASN 489 CO 0.02 0.22 -0.12 0.25 -0.00 0.00 0.00 177.43 177.80 2iuf h LEU 490 N -0.65 -0.41 -0.52 0.34 5.85 -1.88 -1.25 115.31 116.80 2iuf h LEU 490 Ca -0.02 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2iuf h LEU 490 Cb 0.47 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2iuf h LEU 490 CO 0.04 -0.15 0.22 0.00 -0.34 0.00 0.00 178.44 178.20 2iuf h ALA 491 N 1.18 0.67 -0.35 1.25 0.00 -1.35 -1.34 119.26 119.32 2iuf h ALA 491 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2iuf h ALA 491 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2iuf h ALA 491 CO -0.34 0.27 0.15 1.15 0.00 0.00 0.00 179.25 180.48 2iuf h THR 492 N 0.70 1.18 -0.71 0.00 2.02 -0.99 0.07 112.91 115.18 2iuf h THR 492 Ca 0.17 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2iuf h THR 492 Cb 0.18 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2iuf h THR 492 CO -0.02 0.19 0.20 0.03 0.37 0.00 0.00 175.52 176.29 2iuf h ARG 493 N 0.42 1.10 -0.10 6.66 3.08 -0.99 -2.41 114.38 122.14 2iuf h ARG 493 Ca 0.12 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2iuf h ARG 493 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2iuf h ARG 493 CO -0.01 0.96 -0.38 0.28 -1.07 0.00 0.00 179.97 179.74 2iuf h VAL 494 N 1.06 1.39 -0.60 2.04 2.07 -1.10 -3.26 116.25 117.84 2iuf h VAL 494 Ca 0.23 -1.72 0.12 0.00 0.82 0.00 0.00 66.70 66.15 2iuf h VAL 494 Cb 0.33 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2iuf h VAL 494 CO -0.00 0.51 0.41 0.00 0.02 0.00 0.00 177.57 178.51 2iuf h ALA 495 N 0.48 2.16 0.00 1.67 0.00 -0.77 -2.08 119.26 120.72 2iuf h ALA 495 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuf h ALA 495 Cb 1.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2iuf h ALA 495 CO 0.08 -0.32 -0.02 0.66 0.00 0.00 0.00 179.25 179.66 2iuf h SER 496 N 0.30 0.00 1.95 0.00 4.64 -1.47 -2.22 113.55 116.74 2iuf h SER 496 Ca 0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2iuf h SER 496 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2iuf h SER 496 CO -0.07 0.02 -0.05 0.00 -0.87 0.00 0.00 176.83 175.86 2iuf h ALA 497 N 1.98 0.97 0.00 5.18 0.00 -1.54 -3.39 119.26 122.46 2iuf h ALA 497 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuf h ALA 497 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2iuf h ALA 497 CO 0.00 0.04 -0.09 0.44 0.00 0.00 0.00 179.25 179.64 2iuf n ILE 498 N -3.10 1.44 -1.70 0.00 -5.35 -0.84 -4.96 119.36 104.85 2iuf n ILE 498 Ca 0.04 -1.72 -0.10 0.00 -0.27 0.00 0.00 62.75 60.71 2iuf n ILE 498 Cb 0.54 -0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.39 2iuf n ILE 498 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2iuf n GLY 499 N -1.08 0.58 3.67 3.28 0.00 -1.19 -5.02 105.19 105.43 2iuf n GLY 499 Ca 0.12 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2iuf n GLY 499 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuf s VAL 500 N -2.41 4.40 0.44 1.61 1.01 -1.20 -5.09 120.40 119.16 2iuf s VAL 500 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 2iuf s VAL 500 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2iuf s VAL 500 CO 0.00 0.58 1.36 1.21 0.00 0.00 0.00 175.10 178.25 2iuf n GLU 501 N 2.47 2.10 -1.80 2.72 2.13 -1.26 -4.52 120.64 122.48 2iuf n GLU 501 Ca -0.18 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 2iuf n GLU 501 Cb 0.53 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 2iuf n GLU 501 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2iuf s ALA 502 N -1.20 3.78 0.50 4.31 0.00 -1.26 -4.95 121.76 122.94 2iuf s ALA 502 Ca 0.61 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 2iuf s ALA 502 Cb -0.47 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 18.85 2iuf s ALA 502 CO 0.57 -1.07 0.99 -1.25 0.00 0.00 0.00 175.76 175.01 2iuf s PRO 503 N 2.15 3.95 0.33 0.00 0.04 -1.26 -5.04 135.00 135.16 2iuf s PRO 503 Ca 0.76 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2iuf s PRO 503 Cb -0.45 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 2iuf s PRO 503 CO 0.34 -0.27 0.74 0.15 0.04 0.00 0.00 177.00 177.99 2iuf s LYS 504 N -3.86 4.00 0.41 4.56 1.02 -1.26 -4.93 119.74 119.68 2iuf s LYS 504 Ca 0.60 0.67 -0.26 0.00 0.02 0.00 0.00 55.97 57.00 2iuf s LYS 504 Cb -0.10 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 2iuf s LYS 504 CO 0.28 0.14 1.27 -2.30 -0.92 0.00 0.00 175.35 173.82 2iuf n PRO 505 N -0.42 1.95 -3.78 -1.68 -0.02 -1.26 -4.99 135.00 124.80 2iuf n PRO 505 Ca 0.04 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 2iuf n PRO 505 Cb 0.53 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 2iuf n PRO 505 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2iuf s ASN 506 N -0.51 4.14 0.00 2.55 3.04 -1.26 -5.04 114.94 117.85 2iuf s ASN 506 Ca 0.60 -1.80 0.22 0.00 0.04 0.00 0.00 52.86 51.92 2iuf s ASN 506 Cb -0.51 -1.01 0.55 0.00 -1.54 0.00 0.00 41.25 38.73 2iuf s ASN 506 CO 0.58 -0.40 1.45 -1.54 -3.04 0.00 0.00 177.10 174.16 2iuf n SER 507 N 4.65 2.69 -0.34 -4.21 3.41 -1.26 -4.51 113.62 114.05 2iuf n SER 507 Ca -0.00 -1.89 0.20 0.00 -0.26 0.00 0.00 58.87 56.92 2iuf n SER 507 Cb 0.41 -0.20 0.43 0.00 -0.26 0.00 0.00 64.21 64.59 2iuf n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2iuf h SER 508 N 3.46 0.60 -0.24 4.04 0.02 -1.96 -2.12 113.55 117.35 2iuf h SER 508 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2iuf h SER 508 Cb 0.76 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2iuf h SER 508 CO 0.00 0.02 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 2iuf n PHE 509 N -4.92 0.32 -2.33 3.45 3.72 -1.26 -5.02 117.46 111.42 2iuf n PHE 509 Ca 0.29 -0.39 -0.38 0.00 -0.05 0.00 0.00 57.45 56.91 2iuf n PHE 509 Cb 0.85 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.34 2iuf n PHE 509 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2iuf s TYR 510 N -0.96 3.13 0.21 1.38 2.02 -0.80 -4.50 117.35 117.83 2iuf s TYR 510 Ca 0.19 1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 58.23 2iuf s TYR 510 Cb 0.10 -3.37 0.05 0.00 -0.40 0.00 0.00 41.96 38.34 2iuf s TYR 510 CO 0.14 -1.21 0.87 -3.38 -1.57 0.00 0.00 175.55 170.40 2iuf s HIS 511 N -1.40 -0.12 -0.76 2.71 -3.43 -1.26 -5.07 115.29 105.96 2iuf s HIS 511 Ca 0.56 -0.27 0.10 0.00 -0.80 0.00 0.00 55.06 54.64 2iuf s HIS 511 Cb -0.30 0.68 0.28 0.00 -1.43 0.00 0.00 32.58 31.81 2iuf s HIS 511 CO 0.38 -1.02 1.23 -0.25 -2.00 0.00 0.00 174.74 173.09 2iuf n ASP 512 N -0.58 2.87 -4.76 7.38 8.00 -1.26 -4.91 116.55 123.29 2iuf n ASP 512 Ca -0.05 -2.08 -0.34 0.00 0.71 0.00 0.00 54.79 53.03 2iuf n ASP 512 Cb 0.60 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 41.51 2iuf n ASP 512 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2iuf s ASN 513 N -1.08 5.19 0.20 -2.24 0.01 -1.26 -5.06 114.94 110.70 2iuf s ASN 513 Ca 0.22 2.13 0.03 0.00 -0.71 0.00 0.00 52.86 54.52 2iuf s ASN 513 Cb 0.12 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 2iuf s ASN 513 CO 0.13 -1.58 -0.01 0.42 -1.51 0.00 0.00 177.10 174.56 2iuf s THR 514 N -2.06 0.87 0.03 1.60 -4.23 -1.26 -4.58 115.64 106.01 2iuf s THR 514 Ca 0.71 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2iuf s THR 514 Cb -0.23 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2iuf s THR 514 CO 0.37 -0.43 -0.10 0.28 -0.54 0.00 0.00 174.62 174.19 2iuf s THR 515 N -3.53 0.80 0.35 3.99 -1.32 -1.26 -5.05 115.64 109.61 2iuf s THR 515 Ca 0.25 -0.86 -0.26 0.00 -1.21 0.00 0.00 61.69 59.61 2iuf s THR 515 Cb 0.06 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.20 2iuf s THR 515 CO 0.06 -0.09 1.04 0.00 -2.21 0.00 0.00 174.62 173.42 2iuf s ALA 516 N -0.86 3.20 -1.56 11.08 0.00 -1.26 -4.26 121.76 128.10 2iuf s ALA 516 Ca -0.02 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2iuf s ALA 516 Cb -0.07 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.86 2iuf s ALA 516 CO 0.01 -0.11 0.58 0.72 0.00 0.00 0.00 175.76 176.96 2iuf n HIS 517 N 0.46 -1.68 0.02 0.00 8.25 -1.26 -4.87 115.22 116.13 2iuf n HIS 517 Ca 0.02 0.77 0.02 0.00 -0.26 0.00 0.00 57.72 58.27 2iuf n HIS 517 Cb 0.48 -3.30 -0.10 0.00 1.12 0.00 0.00 29.99 28.20 2iuf n HIS 517 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2iuf n ILE 518 N -4.41 0.97 -1.84 1.59 0.13 -1.26 -4.94 119.36 109.59 2iuf n ILE 518 Ca -0.12 -0.67 -0.30 0.00 -1.10 0.00 0.00 62.75 60.57 2iuf n ILE 518 Cb 0.59 -0.54 0.20 0.00 -0.84 0.00 0.00 39.64 39.04 2iuf n ILE 518 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2iuf s GLY 519 N -4.79 1.77 0.27 4.50 0.00 -1.26 -4.99 107.32 102.80 2iuf s GLY 519 Ca -0.04 -1.20 0.21 0.00 0.00 0.00 0.00 44.72 43.68 2iuf s GLY 519 CO 0.83 -0.40 1.24 0.00 0.00 0.00 0.00 173.10 174.77 2iuf h ALA 520 N -1.77 0.70 -3.47 3.20 0.00 -1.93 -3.47 119.26 112.53 2iuf h ALA 520 Ca -0.44 -0.21 -0.67 0.00 0.00 0.00 0.00 54.91 53.59 2iuf h ALA 520 Cb 1.24 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2iuf h ALA 520 CO 0.36 0.25 -0.67 -0.06 0.00 0.00 0.00 179.25 179.13 2iuf s PHE 521 N -3.18 2.98 0.00 0.00 0.08 -1.26 -4.42 117.98 112.18 2iuf s PHE 521 Ca 0.02 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2iuf s PHE 521 Cb 0.08 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2iuf s PHE 521 CO 0.75 0.42 0.00 0.41 -0.10 0.00 0.00 175.22 176.70 2iuf n GLY 522 N 1.39 0.56 3.22 4.36 0.00 -1.26 -4.70 105.19 108.77 2iuf n GLY 522 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2iuf n GLY 522 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iuf s GLU 523 N 0.00 0.95 0.64 1.61 2.02 -1.26 -5.13 118.70 117.52 2iuf s GLU 523 Ca 0.00 -1.04 -0.15 0.00 0.02 0.00 0.00 54.97 53.80 2iuf s GLU 523 Cb 0.00 -1.07 -0.01 0.00 0.10 0.00 0.00 34.13 33.15 2iuf s GLU 523 CO 0.00 0.24 1.09 0.15 0.02 0.00 0.00 175.26 176.77 2iuf s LYS 524 N -1.80 2.95 0.54 1.61 1.02 -1.26 -4.94 119.74 117.86 2iuf s LYS 524 Ca 0.02 1.33 -0.19 0.00 0.02 0.00 0.00 55.97 57.14 2iuf s LYS 524 Cb -0.10 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.18 2iuf s LYS 524 CO 0.03 -1.12 1.12 -0.51 -0.92 0.00 0.00 175.35 173.94 2iuf s LEU 525 N -4.77 3.75 0.07 3.17 1.43 -0.15 -4.94 118.68 117.25 2iuf s LEU 525 Ca 0.66 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.87 2iuf s LEU 525 Cb -0.19 -4.58 -0.27 0.00 0.03 0.00 0.00 46.19 41.18 2iuf s LEU 525 CO 0.40 -1.17 1.11 0.00 0.23 0.00 0.00 176.35 176.92 2iuf h ALA 526 N 1.22 0.17 -3.19 4.21 0.00 -1.28 -3.47 119.26 116.92 2iuf h ALA 526 Ca -0.50 -0.94 -0.22 0.00 0.00 0.00 0.00 54.91 53.26 2iuf h ALA 526 Cb 1.26 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.86 2iuf h ALA 526 CO 0.57 1.05 -0.72 0.15 0.00 0.00 0.00 179.25 180.31 2iuf s LYS 527 N -2.66 0.34 0.00 0.00 1.02 -0.66 -5.00 119.74 112.78 2iuf s LYS 527 Ca -0.04 -0.55 0.23 0.00 0.02 0.00 0.00 55.97 55.63 2iuf s LYS 527 Cb 0.07 -0.05 0.39 0.00 -0.52 0.00 0.00 37.83 37.73 2iuf s LYS 527 CO 0.87 -0.00 1.37 1.28 -0.92 0.00 0.00 175.35 177.95 2iuf n LEU 528 N 1.84 3.39 -4.61 3.17 4.77 -1.26 -4.85 117.00 119.46 2iuf n LEU 528 Ca -0.21 -1.46 -0.51 0.00 -0.03 0.00 0.00 56.01 53.80 2iuf n LEU 528 Cb 0.56 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2iuf n LEU 528 CO 0.21 0.72 0.98 0.47 -1.33 0.00 0.00 177.39 178.44 2iuf n ASP 529 N 1.45 1.99 0.00 -1.43 10.43 -1.16 -2.06 116.55 125.77 2iuf n ASP 529 Ca 0.18 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.65 2iuf n ASP 529 Cb 0.60 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.31 2iuf n ASP 529 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2iuf n GLY 530 N 2.76 1.26 3.79 0.44 0.00 0.12 -4.98 105.19 108.58 2iuf n GLY 530 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2iuf n GLY 530 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuf s LEU 531 N 0.00 3.45 -0.04 0.99 1.43 -0.88 -4.85 118.68 118.79 2iuf s LEU 531 Ca 0.00 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 2iuf s LEU 531 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2iuf s LEU 531 CO 0.00 -1.35 -0.14 -0.54 0.23 0.00 0.00 176.35 174.56 2iuf s LYS 532 N -4.11 1.45 -0.24 1.70 1.02 -1.26 -1.63 119.74 116.67 2iuf s LYS 532 Ca 0.65 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 2iuf s LYS 532 Cb -0.18 -1.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 2iuf s LYS 532 CO 0.39 0.18 0.03 0.08 -0.92 0.00 0.00 175.35 175.11 2iuf s VAL 533 N 0.14 4.02 -0.34 3.17 1.01 0.35 -0.30 120.40 128.45 2iuf s VAL 533 Ca -0.04 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2iuf s VAL 533 Cb -0.11 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2iuf s VAL 533 CO 0.02 0.37 0.61 -0.83 0.00 0.00 0.00 175.10 175.26 2iuf s GLY 534 N 1.57 1.77 -0.34 4.51 0.00 -0.24 -0.43 107.32 114.16 2iuf s GLY 534 Ca 0.06 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 2iuf s GLY 534 CO 0.01 1.44 0.33 -2.27 0.00 0.00 0.00 173.10 172.61 2iuf s LEU 535 N 2.62 4.48 -0.49 0.66 2.96 -0.14 -1.12 118.68 127.65 2iuf s LEU 535 Ca 0.23 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.63 2iuf s LEU 535 Cb -0.15 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.30 2iuf s LEU 535 CO 0.14 -0.32 0.70 -0.76 -1.32 0.00 0.00 176.35 174.79 2iuf s LEU 536 N 1.94 4.62 0.00 -0.68 1.43 0.63 -0.68 118.68 125.94 2iuf s LEU 536 Ca 0.10 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2iuf s LEU 536 Cb -0.17 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2iuf s LEU 536 CO 0.11 -0.92 0.01 0.00 0.23 0.00 0.00 176.35 175.78 2iuf n ALA 537 N 6.48 0.25 -3.35 4.21 0.00 0.31 -1.05 120.51 127.36 2iuf n ALA 537 Ca -0.03 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.00 2iuf n ALA 537 Cb 0.47 0.69 -0.14 0.00 0.00 0.00 0.00 19.45 20.46 2iuf n ALA 537 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2iuf s SER 538 N -2.57 -0.03 0.59 0.00 0.15 -1.26 -4.46 113.70 106.11 2iuf s SER 538 Ca 0.01 0.12 0.35 0.00 0.70 0.00 0.00 55.95 57.13 2iuf s SER 538 Cb -0.00 0.07 1.80 0.00 -1.71 0.00 0.00 66.02 66.18 2iuf s SER 538 CO 0.00 -0.08 2.17 -0.37 1.20 0.00 0.00 173.24 176.16 2iuf h VAL 539 N 5.65 0.22 0.00 4.45 -1.51 -1.93 -1.67 116.25 121.45 2iuf h VAL 539 Ca -0.35 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2iuf h VAL 539 Cb 1.17 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2iuf h VAL 539 CO 0.47 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 177.44 2iuf n ASN 540 N -3.31 0.00 -3.67 4.19 3.02 -1.26 -4.21 115.26 110.02 2iuf n ASN 540 Ca -0.02 0.48 -0.29 0.00 -0.03 0.00 0.00 54.58 54.73 2iuf n ASN 540 Cb 0.19 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 2iuf n ASN 540 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2iuf s LYS 541 N -2.99 1.41 0.49 3.52 -0.14 -0.63 -5.00 119.74 116.40 2iuf s LYS 541 Ca 0.13 -2.27 0.27 0.00 -1.36 0.00 0.00 55.97 52.75 2iuf s LYS 541 Cb 0.18 -2.30 1.35 0.00 -1.68 0.00 0.00 37.83 35.38 2iuf s LYS 541 CO 0.49 -1.24 1.85 -1.35 -0.76 0.00 0.00 175.35 174.34 2iuf h PRO 542 N 6.22 0.14 0.00 -1.68 0.11 -1.73 0.16 132.00 135.22 2iuf h PRO 542 Ca 0.09 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2iuf h PRO 542 Cb 0.89 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2iuf h PRO 542 CO 0.49 0.09 -0.38 0.00 -0.21 0.00 0.00 178.00 178.00 2iuf h ALA 543 N 1.55 1.26 -0.71 -0.75 0.00 -1.90 -1.75 119.26 116.97 2iuf h ALA 543 Ca 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2iuf h ALA 543 Cb 1.65 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2iuf h ALA 543 CO -0.09 0.47 0.32 0.66 0.00 0.00 0.00 179.25 180.62 2iuf h SER 544 N 0.00 0.94 -0.19 0.00 4.64 -0.76 -2.84 113.55 115.34 2iuf h SER 544 Ca -0.00 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 2iuf h SER 544 Cb 0.72 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2iuf h SER 544 CO 0.05 0.82 -0.29 0.40 -0.87 0.00 0.00 176.83 176.94 2iuf h ILE 545 N 0.99 1.28 0.00 0.95 2.04 -1.41 -2.86 117.51 118.50 2iuf h ILE 545 Ca 0.24 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 2iuf h ILE 545 Cb 0.14 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2iuf h ILE 545 CO -0.03 0.46 -0.08 0.00 0.00 0.00 0.00 178.15 178.50 2iuf h ALA 546 N 1.09 1.46 0.00 1.87 0.00 -1.14 -1.80 119.26 120.75 2iuf h ALA 546 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2iuf h ALA 546 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2iuf h ALA 546 CO 0.07 0.10 -0.03 1.96 0.00 0.00 0.00 179.25 181.35 2iuf h GLN 547 N 0.00 0.00 0.32 0.00 4.20 -1.27 -3.03 115.11 115.33 2iuf h GLN 547 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2iuf h GLN 547 Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2iuf h GLN 547 CO 0.01 0.03 -0.36 0.78 -0.67 0.00 0.00 178.83 178.62 2iuf h GLY 548 N 0.27 -0.82 1.30 3.46 0.00 -1.47 0.93 103.07 106.74 2iuf h GLY 548 Ca -0.00 0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 2iuf h GLY 548 CO 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 176.54 176.31 2iuf h ALA 549 N -0.25 1.10 -0.16 3.60 0.00 -1.72 0.55 119.26 122.38 2iuf h ALA 549 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2iuf h ALA 549 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2iuf h ALA 549 CO -0.09 0.58 0.04 -0.22 0.00 0.00 0.00 179.25 179.57 2iuf h LYS 550 N 0.82 0.25 -0.68 0.00 3.64 -1.46 -1.18 116.57 117.95 2iuf h LYS 550 Ca 0.17 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2iuf h LYS 550 Cb 0.40 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2iuf h LYS 550 CO 0.01 0.38 0.36 1.25 -2.27 0.00 0.00 179.45 179.19 2iuf h LEU 551 N 0.07 0.86 -0.81 5.20 5.85 -0.57 -2.80 115.31 123.10 2iuf h LEU 551 Ca 0.05 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2iuf h LEU 551 Cb 0.24 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2iuf h LEU 551 CO -0.00 0.72 0.46 -0.61 -0.34 0.00 0.00 178.44 178.66 2iuf h GLN 552 N 0.94 0.75 -0.10 1.25 5.75 -0.63 -1.64 115.11 121.43 2iuf h GLN 552 Ca 0.24 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 2iuf h GLN 552 Cb 0.06 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2iuf h GLN 552 CO -0.04 0.50 -0.03 -0.39 -2.65 0.00 0.00 178.83 176.23 2iuf h VAL 553 N 0.78 1.08 0.00 2.39 -1.51 -0.94 -0.52 116.25 117.53 2iuf h VAL 553 Ca 0.39 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 2iuf h VAL 553 Cb 0.35 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2iuf h VAL 553 CO -0.24 0.11 -0.31 0.00 -1.23 0.00 0.00 177.57 175.89 2iuf n ALA 554 N -2.51 3.08 0.26 5.19 0.00 -0.65 -4.10 120.51 121.77 2iuf n ALA 554 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.21 2iuf n ALA 554 Cb 0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 2iuf n ALA 554 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2iuf n LEU 555 N -1.51 0.26 -0.13 0.00 4.77 -0.50 -4.73 117.00 115.15 2iuf n LEU 555 Ca 0.06 -0.40 0.02 0.00 -0.03 0.00 0.00 56.01 55.66 2iuf n LEU 555 Cb 0.34 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.74 2iuf n LEU 555 CO 0.32 0.07 1.21 0.28 -1.33 0.00 0.00 177.39 177.93 2iuf h SER 556 N 0.00 0.72 0.49 -1.43 0.02 -1.30 -2.61 113.55 109.43 2iuf h SER 556 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2iuf h SER 556 Cb 0.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2iuf h SER 556 CO 0.00 0.52 0.00 0.77 -1.14 0.00 0.00 176.83 176.98 2iuf h SER 557 N 0.84 0.00 -0.34 3.07 4.64 -1.85 -1.27 113.55 118.65 2iuf h SER 557 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2iuf h SER 557 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2iuf h SER 557 CO -0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 2iuf n VAL 558 N -2.76 1.14 -1.47 0.95 0.24 -0.99 -4.99 118.33 110.45 2iuf n VAL 558 Ca -0.00 -1.10 -0.03 0.00 -2.04 0.00 0.00 64.34 61.17 2iuf n VAL 558 Cb 0.17 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 32.95 2iuf n VAL 558 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iuf n GLY 559 N 0.41 0.45 3.76 7.63 0.00 -0.48 -2.99 105.19 113.97 2iuf n GLY 559 Ca 0.13 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2iuf n GLY 559 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuf s VAL 560 N -2.11 5.10 -0.04 1.61 1.01 -1.16 0.10 120.40 124.91 2iuf s VAL 560 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2iuf s VAL 560 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2iuf s VAL 560 CO 0.00 0.55 0.02 -1.81 0.00 0.00 0.00 175.10 173.86 2iuf s ASP 561 N -0.47 5.31 -0.21 3.32 1.01 -0.64 -4.25 116.67 120.74 2iuf s ASP 561 Ca 0.11 0.09 -0.09 0.00 0.71 0.00 0.00 52.55 53.37 2iuf s ASP 561 Cb -0.12 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.30 2iuf s ASP 561 CO 0.02 0.32 0.12 -0.69 0.21 0.00 0.00 175.17 175.15 2iuf s VAL 562 N -1.03 5.21 -0.24 -1.27 1.01 -1.26 -0.49 120.40 122.33 2iuf s VAL 562 Ca 0.18 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2iuf s VAL 562 Cb -0.12 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2iuf s VAL 562 CO 0.08 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 2iuf s VAL 563 N 0.59 3.17 -0.24 2.92 1.01 0.43 -4.95 120.40 123.33 2iuf s VAL 563 Ca 0.07 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 2iuf s VAL 563 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2iuf s VAL 563 CO 0.00 0.30 0.83 -0.69 0.00 0.00 0.00 175.10 175.54 2iuf s VAL 564 N 1.41 4.84 -0.18 2.92 1.01 -1.26 -0.97 120.40 128.17 2iuf s VAL 564 Ca 0.03 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 2iuf s VAL 564 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2iuf s VAL 564 CO -0.04 -0.07 0.10 -0.69 0.00 0.00 0.00 175.10 174.40 2iuf s VAL 565 N 2.83 5.14 0.23 2.92 1.01 0.14 -0.54 120.40 132.13 2iuf s VAL 565 Ca 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2iuf s VAL 565 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2iuf s VAL 565 CO 0.07 0.47 0.30 0.00 0.00 0.00 0.00 175.10 175.95 2iuf n ALA 566 N 3.32 -0.16 -0.22 5.51 0.00 -0.64 -0.53 120.51 127.80 2iuf n ALA 566 Ca -0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.13 2iuf n ALA 566 Cb 0.52 0.86 0.06 0.00 0.00 0.00 0.00 19.45 20.90 2iuf n ALA 566 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2iuf h GLU 567 N 0.00 1.07 0.00 0.00 3.07 -1.87 0.53 114.58 117.38 2iuf h GLU 567 Ca -0.17 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2iuf h GLU 567 Cb 0.77 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2iuf h GLU 567 CO 0.24 0.99 0.00 2.89 -1.40 0.00 0.00 179.01 181.72 2iuf n ARG 568 N -4.21 0.00 0.00 2.33 1.85 -1.26 -4.54 116.66 110.82 2iuf n ARG 568 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2iuf n ARG 568 Cb 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 2iuf n ARG 568 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2iuf n ALA 570 N -3.00 0.00 -1.64 2.89 0.00 -1.26 -4.89 120.51 112.60 2iuf n ALA 570 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2iuf n ALA 570 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2iuf n ALA 570 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2iuf n ASN 571 N 0.00 2.32 -0.93 0.00 5.03 -1.26 -1.92 115.26 118.50 2iuf n ASN 571 Ca 0.00 1.15 -0.12 0.00 0.87 0.00 0.00 54.58 56.48 2iuf n ASN 571 Cb 0.00 -1.37 -0.05 0.00 -1.02 0.00 0.00 39.78 37.34 2iuf n ASN 571 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2iuf n ASN 572 N 2.02 -4.76 -4.81 6.41 3.02 -1.26 -5.01 115.26 110.87 2iuf n ASN 572 Ca 0.12 0.30 -0.36 0.00 -0.03 0.00 0.00 54.58 54.61 2iuf n ASN 572 Cb 0.30 -3.33 -0.07 0.00 -0.61 0.00 0.00 39.78 36.07 2iuf n ASN 572 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2iuf s VAL 573 N -2.35 5.45 -0.16 2.41 1.01 -0.81 -4.76 120.40 121.19 2iuf s VAL 573 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2iuf s VAL 573 Cb 0.00 -3.45 -0.23 0.00 0.00 0.00 0.00 36.38 32.70 2iuf s VAL 573 CO 0.00 0.53 0.19 0.47 0.00 0.00 0.00 175.10 176.29 2iuf n ASP 574 N 2.71 1.63 -3.97 3.32 10.43 0.30 -4.78 116.55 126.19 2iuf n ASP 574 Ca -0.18 0.10 -0.09 0.00 2.57 0.00 0.00 54.79 57.20 2iuf n ASP 574 Cb 0.53 -0.37 -0.10 0.00 1.84 0.00 0.00 41.12 43.02 2iuf n ASP 574 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2iuf s GLU 575 N -2.54 0.52 0.40 -1.24 2.02 -0.79 -4.98 118.70 112.08 2iuf s GLU 575 Ca -0.22 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 53.92 2iuf s GLU 575 Cb 0.07 0.20 -0.05 0.00 0.10 0.00 0.00 34.13 34.45 2iuf s GLU 575 CO 0.73 -0.11 0.70 0.95 0.02 0.00 0.00 175.26 177.55 2iuf s THR 576 N -2.50 4.92 0.28 3.63 -4.23 -1.26 -1.61 115.64 114.86 2iuf s THR 576 Ca -0.06 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2iuf s THR 576 Cb -0.02 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.29 2iuf s THR 576 CO -0.04 -0.60 1.78 1.88 -0.54 0.00 0.00 174.62 177.10 2iuf h TYR 577 N 0.93 0.92 -0.86 3.99 0.05 -1.12 -1.92 116.97 118.96 2iuf h TYR 577 Ca -0.47 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.39 2iuf h TYR 577 Cb 1.20 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 2iuf h TYR 577 CO 0.58 0.25 0.56 1.03 -1.05 0.00 0.00 178.16 179.54 2iuf h SER 578 N 0.74 0.88 0.04 3.88 0.87 -1.86 -1.87 113.55 116.23 2iuf h SER 578 Ca 0.50 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2iuf h SER 578 Cb 0.67 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2iuf h SER 578 CO -0.34 0.58 -0.03 0.00 -0.53 0.00 0.00 176.83 176.50 2iuf n ALA 579 N -2.41 2.66 -2.69 6.23 0.00 -0.77 -4.93 120.51 118.60 2iuf n ALA 579 Ca 0.12 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 2iuf n ALA 579 Cb 0.17 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 2iuf n ALA 579 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2iuf s SER 580 N -2.09 4.87 -0.01 0.00 0.01 -0.70 -4.91 113.70 110.86 2iuf s SER 580 Ca 0.38 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 2iuf s SER 580 Cb 0.21 -1.02 0.06 0.00 0.21 0.00 0.00 66.02 65.48 2iuf s SER 580 CO 0.37 -0.03 0.56 -0.62 0.41 0.00 0.00 173.24 173.93 2iuf s ASP 581 N -3.74 -0.50 0.36 2.44 2.15 -1.26 -4.98 116.67 111.14 2iuf s ASP 581 Ca 0.32 0.42 0.13 0.00 0.43 0.00 0.00 52.55 53.86 2iuf s ASP 581 Cb -0.07 0.48 0.96 0.00 -0.30 0.00 0.00 42.92 43.99 2iuf s ASP 581 CO 0.22 -0.61 1.79 0.00 -0.17 0.00 0.00 175.17 176.40 2iuf h ALA 582 N 3.10 2.00 0.00 3.66 0.00 -1.90 -1.28 119.26 124.84 2iuf h ALA 582 Ca -0.29 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2iuf h ALA 582 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2iuf h ALA 582 CO 0.40 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.61 2iuf n VAL 583 N -4.66 1.48 0.34 0.00 0.24 -1.26 -1.17 118.33 113.30 2iuf n VAL 583 Ca 0.23 0.43 0.13 0.00 -2.04 0.00 0.00 64.34 63.09 2iuf n VAL 583 Cb 0.72 -1.35 0.32 0.00 -1.47 0.00 0.00 33.84 32.06 2iuf n VAL 583 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2iuf h GLN 584 N 0.00 0.00 -5.92 7.34 4.20 -1.65 -3.46 115.11 115.62 2iuf h GLN 584 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 2iuf h GLN 584 Cb 0.11 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 27.58 2iuf h GLN 584 CO 0.00 0.00 -0.86 -0.06 -0.67 0.00 0.00 178.83 177.24 2iuf s PHE 585 N -3.25 2.05 -0.12 2.96 0.08 -0.31 -4.83 117.98 114.55 2iuf s PHE 585 Ca 0.07 -0.50 0.14 0.00 0.12 0.00 0.00 56.93 56.76 2iuf s PHE 585 Cb 0.08 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 2iuf s PHE 585 CO 0.62 -0.12 1.43 -0.44 -0.10 0.00 0.00 175.22 176.61 2iuf h ASP 586 N 5.89 0.00 -4.76 1.36 3.32 -0.93 -3.45 116.42 117.85 2iuf h ASP 586 Ca -0.36 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.51 2iuf h ASP 586 Cb 1.16 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 2iuf h ASP 586 CO 0.47 0.56 -0.69 0.00 -1.72 0.00 0.00 179.24 177.86 2iuf s ALA 587 N -2.94 0.08 -0.07 3.45 0.00 -0.83 -3.92 121.76 117.53 2iuf s ALA 587 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2iuf s ALA 587 Cb 0.08 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2iuf s ALA 587 CO 0.75 -0.13 -0.13 0.08 0.00 0.00 0.00 175.76 176.33 2iuf s VAL 588 N -1.20 1.21 -0.05 0.00 1.01 -0.77 -1.08 120.40 119.52 2iuf s VAL 588 Ca -0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2iuf s VAL 588 Cb -0.08 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.22 2iuf s VAL 588 CO -0.01 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 2iuf s VAL 589 N 0.63 0.81 -0.23 2.92 1.01 -0.27 -1.13 120.40 124.14 2iuf s VAL 589 Ca -0.15 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 2iuf s VAL 589 Cb -0.16 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2iuf s VAL 589 CO 0.04 0.28 0.65 -0.69 0.00 0.00 0.00 175.10 175.38 2iuf s VAL 590 N 0.64 4.98 0.53 2.92 1.01 -0.43 -0.27 120.40 129.79 2iuf s VAL 590 Ca -0.11 1.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 2iuf s VAL 590 Cb -0.14 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 2iuf s VAL 590 CO 0.02 0.05 1.08 0.00 0.00 0.00 0.00 175.10 176.24 2iuf s ALA 591 N 2.30 2.77 -0.06 5.51 0.00 -0.21 -1.14 121.76 130.92 2iuf s ALA 591 Ca 0.28 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 2iuf s ALA 591 Cb -0.16 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2iuf s ALA 591 CO 0.09 -0.60 1.49 0.34 0.00 0.00 0.00 175.76 177.08 2iuf s ASP 592 N -2.08 6.78 0.00 0.00 2.15 -1.18 -2.09 116.67 120.26 2iuf s ASP 592 Ca 0.68 2.09 0.00 0.00 0.43 0.00 0.00 52.55 55.75 2iuf s ASP 592 Cb -0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2iuf s ASP 592 CO 0.26 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2iuf n GLY 593 N 3.85 1.62 0.11 2.66 0.00 -1.26 -3.73 105.19 108.44 2iuf n GLY 593 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2iuf n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuf n ALA 594 N -1.24 3.55 0.09 4.61 0.00 -0.89 -4.47 120.51 122.17 2iuf n ALA 594 Ca 0.00 -0.41 0.17 0.00 0.00 0.00 0.00 53.44 53.19 2iuf n ALA 594 Cb 0.00 -1.06 0.69 0.00 0.00 0.00 0.00 19.45 19.08 2iuf n ALA 594 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2iuf h GLU 595 N 0.52 0.00 -0.09 0.00 9.09 -1.83 -0.69 114.58 121.58 2iuf h GLU 595 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.44 2iuf h GLU 595 Cb 0.52 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.61 2iuf h GLU 595 CO 0.00 0.00 0.18 0.78 0.05 0.00 0.00 179.01 180.02 2iuf h GLY 596 N 0.00 0.00 1.45 1.06 0.00 -1.94 -1.64 103.07 102.00 2iuf h GLY 596 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2iuf h GLY 596 CO -0.00 0.00 -0.00 1.04 0.00 0.00 0.00 176.54 177.58 2iuf n LEU 597 N -3.37 0.01 -0.93 3.11 4.77 -0.27 -4.22 117.00 116.11 2iuf n LEU 597 Ca -0.01 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.22 2iuf n LEU 597 Cb 0.27 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 2iuf n LEU 597 CO 0.22 0.00 0.66 0.49 -1.33 0.00 0.00 177.39 177.43 2iuf n PHE 598 N -1.22 0.86 -1.81 -1.77 3.01 -0.62 -4.47 117.46 111.44 2iuf n PHE 598 Ca 0.16 -1.31 -0.40 0.00 1.01 0.00 0.00 57.45 56.92 2iuf n PHE 598 Cb 0.22 -0.39 0.02 0.00 -0.01 0.00 0.00 39.48 39.32 2iuf n PHE 598 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2iuf s GLY 599 N -2.44 2.91 0.55 1.37 0.00 -1.26 -4.68 107.32 103.77 2iuf s GLY 599 Ca 0.42 1.43 0.29 0.00 0.00 0.00 0.00 44.72 46.87 2iuf s GLY 599 CO 0.02 2.03 2.13 0.00 0.00 0.00 0.00 173.10 177.28 2iuf h ALA 600 N 2.21 1.30 -0.05 3.20 0.00 -1.97 -1.63 119.26 122.32 2iuf h ALA 600 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2iuf h ALA 600 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2iuf h ALA 600 CO 0.61 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 2iuf n ASP 601 N -3.62 0.62 0.23 0.00 8.00 -1.26 -4.42 116.55 116.10 2iuf n ASP 601 Ca -0.02 -1.49 0.12 0.00 0.71 0.00 0.00 54.79 54.11 2iuf n ASP 601 Cb 0.20 -0.03 0.45 0.00 -0.02 0.00 0.00 41.12 41.71 2iuf n ASP 601 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2iuf h SER 602 N 0.84 0.00 0.31 -2.24 4.64 -1.66 -1.90 113.55 113.55 2iuf h SER 602 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2iuf h SER 602 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2iuf h SER 602 CO 0.00 0.16 -0.55 -0.26 -0.87 0.00 0.00 176.83 175.31 2iuf h PHE 603 N 0.00 0.32 0.00 4.77 -1.00 -1.82 -2.78 116.94 116.43 2iuf h PHE 603 Ca -0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2iuf h PHE 603 Cb 0.77 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2iuf h PHE 603 CO 0.00 0.75 0.00 0.25 -1.61 0.00 0.00 178.31 177.70 2iuf n THR 604 N -3.92 0.00 -1.89 -1.55 -2.24 -1.17 -4.76 114.28 98.76 2iuf n THR 604 Ca -0.02 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 2iuf n THR 604 Cb 0.58 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 2iuf n THR 604 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iuf s VAL 605 N -0.58 2.25 -0.09 2.28 0.11 -0.72 -4.91 120.40 118.73 2iuf s VAL 605 Ca 0.00 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.00 2iuf s VAL 605 Cb 0.00 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2iuf s VAL 605 CO 0.00 0.05 1.25 -0.70 -3.33 0.00 0.00 175.10 172.38 2iuf s GLU 606 N -1.69 4.29 -1.37 1.54 2.12 -1.26 -4.93 118.70 117.40 2iuf s GLU 606 Ca 0.54 1.71 -0.08 0.00 0.36 0.00 0.00 54.97 57.50 2iuf s GLU 606 Cb -0.45 -3.65 0.09 0.00 0.26 0.00 0.00 34.13 30.38 2iuf s GLU 606 CO 0.57 -0.57 2.35 -0.35 -0.54 0.00 0.00 175.26 176.72 2iuf n PRO 607 N 5.83 4.11 -2.11 4.30 -0.04 -1.26 -4.79 135.00 141.04 2iuf n PRO 607 Ca 0.12 -3.21 -0.28 0.00 -0.04 0.00 0.00 63.50 60.10 2iuf n PRO 607 Cb 0.45 -2.77 0.06 0.00 -0.04 0.00 0.00 33.50 31.20 2iuf n PRO 607 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2iuf s SER 608 N 0.95 5.04 0.39 3.54 1.04 -1.26 -4.93 113.70 118.48 2iuf s SER 608 Ca 0.53 0.72 0.20 0.00 0.48 0.00 0.00 55.95 57.88 2iuf s SER 608 Cb 0.16 -1.44 1.16 0.00 0.10 0.00 0.00 66.02 66.00 2iuf s SER 608 CO -0.06 -1.50 1.72 0.00 0.98 0.00 0.00 173.24 174.37 2iuf h ALA 609 N -0.62 2.28 -0.04 5.32 0.00 -1.99 -0.80 119.26 123.40 2iuf h ALA 609 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2iuf h ALA 609 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2iuf h ALA 609 CO 0.62 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.51 2iuf n GLY 610 N -1.45 0.07 0.14 0.00 0.00 -1.26 -4.44 105.19 98.25 2iuf n GLY 610 Ca 0.29 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2iuf n GLY 610 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iuf h SER 611 N 2.38 0.00 -0.57 1.61 4.64 -1.45 -3.48 113.55 116.68 2iuf h SER 611 Ca 0.00 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2iuf h SER 611 Cb 0.51 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.50 2iuf h SER 611 CO 0.00 0.00 -0.22 0.61 -0.87 0.00 0.00 176.83 176.35 2iuf n GLY 612 N 1.17 1.30 3.77 -0.77 0.00 -1.26 -5.00 105.19 104.40 2iuf n GLY 612 Ca 0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2iuf n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuf s ALA 613 N -2.42 3.44 0.21 4.61 0.00 -1.26 -4.99 121.76 121.36 2iuf s ALA 613 Ca 0.00 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 2iuf s ALA 613 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2iuf s ALA 613 CO 0.00 -0.64 0.84 0.45 0.00 0.00 0.00 175.76 176.41 2iuf s SER 614 N -0.57 7.45 0.00 0.00 0.15 -1.26 -4.93 113.70 114.54 2iuf s SER 614 Ca 0.50 1.75 0.28 0.00 0.70 0.00 0.00 55.95 59.18 2iuf s SER 614 Cb -0.39 -2.54 1.05 0.00 -1.71 0.00 0.00 66.02 62.43 2iuf s SER 614 CO 0.51 0.15 1.74 0.35 1.20 0.00 0.00 173.24 177.20 2iuf n THR 615 N 1.39 0.00 0.89 6.45 -2.24 -1.26 -4.26 114.28 115.25 2iuf n THR 615 Ca -0.03 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2iuf n THR 615 Cb 0.48 0.45 0.43 0.00 -2.10 0.00 0.00 70.33 69.59 2iuf n THR 615 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2iuf n LEU 616 N 0.04 0.35 -3.52 3.22 4.77 -1.26 -4.87 117.00 115.73 2iuf n LEU 616 Ca 0.18 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 2iuf n LEU 616 Cb 0.35 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2iuf n LEU 616 CO 0.18 0.00 0.30 -0.72 -1.33 0.00 0.00 177.39 175.82 2iuf s TYR 617 N -3.04 -0.41 0.65 -1.77 -0.85 -1.26 -4.16 117.35 106.51 2iuf s TYR 617 Ca 0.12 0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 56.73 2iuf s TYR 617 Cb 0.17 0.41 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 2iuf s TYR 617 CO 0.61 -0.75 1.29 -2.14 -1.52 0.00 0.00 175.55 173.04 2iuf s PRO 618 N -3.42 2.57 -0.10 -3.49 0.02 -1.26 -4.79 135.00 124.52 2iuf s PRO 618 Ca -0.00 2.05 -0.38 0.00 0.02 0.00 0.00 61.00 62.69 2iuf s PRO 618 Cb 0.00 -1.85 -0.16 0.00 0.02 0.00 0.00 34.50 32.52 2iuf s PRO 618 CO -0.10 -1.58 1.60 0.00 -0.33 0.00 0.00 177.00 176.59 2iuf n ALA 619 N -1.90 -0.32 -0.88 -1.55 0.00 -1.26 -1.58 120.51 113.02 2iuf n ALA 619 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2iuf n ALA 619 Cb 0.48 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2iuf n ALA 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuf n GLY 620 N 3.55 0.76 0.15 0.00 0.00 -1.05 -4.69 105.19 103.92 2iuf n GLY 620 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 2iuf n GLY 620 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2iuf h ARG 621 N 2.37 0.14 -0.20 1.61 9.65 -1.64 -0.04 114.38 126.27 2iuf h ARG 621 Ca 0.00 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2iuf h ARG 621 Cb 0.00 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 2iuf h ARG 621 CO 0.00 0.09 0.03 -1.35 2.80 0.00 0.00 179.97 181.54 2iuf h PRO 622 N 0.14 0.10 -0.28 0.20 0.11 -1.85 -1.37 132.00 129.05 2iuf h PRO 622 Ca 0.17 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2iuf h PRO 622 Cb 0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2iuf h PRO 622 CO -0.26 0.07 -0.09 1.25 -0.21 0.00 0.00 178.00 178.76 2iuf h LEU 623 N 0.11 0.44 -0.77 2.35 5.85 -1.68 -2.45 115.31 119.17 2iuf h LEU 623 Ca 0.09 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2iuf h LEU 623 Cb 0.09 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2iuf h LEU 623 CO -0.13 0.58 0.50 -1.13 -0.34 0.00 0.00 178.44 177.91 2iuf h ASN 624 N 0.43 0.83 -0.27 1.25 -1.24 -0.53 0.11 115.58 116.17 2iuf h ASN 624 Ca 0.08 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 2iuf h ASN 624 Cb 0.43 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2iuf h ASN 624 CO 0.02 0.58 0.10 0.40 -1.29 0.00 0.00 177.43 177.25 2iuf h ILE 625 N 0.98 1.18 -0.26 2.57 2.04 -0.80 0.01 117.51 123.23 2iuf h ILE 625 Ca 0.30 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2iuf h ILE 625 Cb -0.03 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2iuf h ILE 625 CO -0.10 0.19 0.13 0.25 0.00 0.00 0.00 178.15 178.62 2iuf h LEU 626 N 0.29 0.34 -0.54 1.44 5.85 -1.15 -1.14 115.31 120.40 2iuf h LEU 626 Ca 0.09 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2iuf h LEU 626 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2iuf h LEU 626 CO -0.01 0.36 0.07 -0.07 -0.34 0.00 0.00 178.44 178.45 2iuf h LEU 627 N 0.29 0.88 -0.36 2.25 3.38 -0.68 -0.82 115.31 120.25 2iuf h LEU 627 Ca 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2iuf h LEU 627 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2iuf h LEU 627 CO -0.01 0.93 0.18 0.44 0.09 0.00 0.00 178.44 180.08 2iuf h ASP 628 N 0.80 0.46 -0.48 -0.43 3.32 -0.95 0.02 116.42 119.16 2iuf h ASP 628 Ca 0.16 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.15 2iuf h ASP 628 Cb 0.44 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2iuf h ASP 628 CO 0.01 0.44 0.21 0.00 -1.72 0.00 0.00 179.24 178.19 2iuf h ALA 629 N 1.04 0.61 -0.11 3.45 0.00 -0.88 0.38 119.26 123.75 2iuf h ALA 629 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2iuf h ALA 629 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2iuf h ALA 629 CO -0.02 -0.15 0.06 0.35 0.00 0.00 0.00 179.25 179.49 2iuf h PHE 630 N 0.42 0.15 -0.04 0.00 3.57 -0.91 -1.18 116.94 118.95 2iuf h PHE 630 Ca 0.22 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2iuf h PHE 630 Cb 0.17 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2iuf h PHE 630 CO -0.12 0.18 -0.34 0.00 -2.23 0.00 0.00 178.31 175.80 2iuf h ARG 631 N 0.07 0.08 0.00 1.11 3.08 -0.51 -1.21 114.38 117.01 2iuf h ARG 631 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2iuf h ARG 631 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2iuf h ARG 631 CO -0.01 0.42 0.00 1.19 -1.07 0.00 0.00 179.97 180.50 2iuf n PHE 632 N -4.11 0.15 -0.06 3.04 3.72 0.08 -4.90 117.46 115.37 2iuf n PHE 632 Ca -0.02 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2iuf n PHE 632 Cb 0.40 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 2iuf n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2iuf n GLY 633 N 0.89 0.86 3.83 1.37 0.00 -0.46 -4.80 105.19 106.89 2iuf n GLY 633 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2iuf n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuf s LYS 634 N -0.94 3.78 0.09 1.61 1.02 -0.46 -0.25 119.74 124.59 2iuf s LYS 634 Ca 0.00 1.06 -0.35 0.00 0.02 0.00 0.00 55.97 56.70 2iuf s LYS 634 Cb 0.00 -2.11 -0.15 0.00 -0.52 0.00 0.00 37.83 35.06 2iuf s LYS 634 CO 0.00 -0.42 1.54 2.41 -0.92 0.00 0.00 175.35 177.96 2iuf n THR 635 N -1.60 0.07 -4.13 2.17 -1.04 -1.25 -4.64 114.28 103.85 2iuf n THR 635 Ca 0.07 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 2iuf n THR 635 Cb 0.54 -1.32 -0.12 0.00 -1.82 0.00 0.00 70.33 67.60 2iuf n THR 635 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2iuf s VAL 636 N 1.21 0.90 0.26 12.58 -7.23 -0.05 -1.85 120.40 126.23 2iuf s VAL 636 Ca 0.83 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 2iuf s VAL 636 Cb -0.79 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.25 2iuf s VAL 636 CO 0.43 -0.29 0.51 -0.83 -0.31 0.00 0.00 175.10 174.61 2iuf s GLY 637 N -1.69 0.58 -0.14 2.32 0.00 -0.28 -0.74 107.32 107.37 2iuf s GLY 637 Ca -0.05 -0.90 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 2iuf s GLY 637 CO 0.02 -0.62 0.48 0.00 0.00 0.00 0.00 173.10 172.97 2iuf s ALA 638 N -3.85 -1.19 -0.18 3.20 0.00 -0.25 -1.32 121.76 118.18 2iuf s ALA 638 Ca 0.22 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 2iuf s ALA 638 Cb -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2iuf s ALA 638 CO 0.10 -0.25 -0.02 -0.51 0.00 0.00 0.00 175.76 175.08 2iuf s LEU 639 N -0.13 3.19 0.00 0.00 1.43 -0.29 -1.70 118.68 121.17 2iuf s LEU 639 Ca -0.03 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2iuf s LEU 639 Cb -0.03 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2iuf s LEU 639 CO 0.02 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2iuf n GLY 640 N 4.00 3.24 0.00 -3.19 0.00 0.61 -0.68 105.19 109.16 2iuf n GLY 640 Ca -0.17 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.70 2iuf n GLY 640 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iuf n SER 641 N 2.62 0.00 0.15 1.61 7.64 -1.26 -2.14 113.62 122.23 2iuf n SER 641 Ca 0.00 -0.96 0.18 0.00 1.01 0.00 0.00 58.87 59.11 2iuf n SER 641 Cb 0.00 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 63.98 2iuf n SER 641 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2iuf h GLY 642 N 4.26 0.00 2.00 0.23 0.00 -1.09 -2.13 103.07 106.35 2iuf h GLY 642 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2iuf h GLY 642 CO 0.00 0.00 -0.00 1.48 0.00 0.00 0.00 176.54 178.02 2iuf h SER 643 N 0.00 0.00 -0.52 0.19 4.64 -1.60 -0.77 113.55 115.50 2iuf h SER 643 Ca 0.14 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.54 2iuf h SER 643 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2iuf h SER 643 CO -0.00 0.00 0.35 0.44 -0.87 0.00 0.00 176.83 176.75 2iuf h ASP 644 N 0.00 0.31 -0.34 4.97 5.19 -1.64 -1.37 116.42 123.54 2iuf h ASP 644 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 2iuf h ASP 644 Cb 0.08 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 2iuf h ASP 644 CO 0.00 0.19 -0.07 0.00 -3.12 0.00 0.00 179.24 176.24 2iuf h ALA 645 N 1.73 1.07 -0.80 3.45 0.00 -1.35 -1.10 119.26 122.26 2iuf h ALA 645 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2iuf h ALA 645 Cb 0.48 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2iuf h ALA 645 CO -0.06 0.58 0.47 -0.07 0.00 0.00 0.00 179.25 180.17 2iuf h LEU 646 N 0.69 0.97 -0.33 0.00 3.38 -1.35 -1.25 115.31 117.41 2iuf h LEU 646 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2iuf h LEU 646 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2iuf h LEU 646 CO 0.03 0.76 0.19 -0.33 0.09 0.00 0.00 178.44 179.18 2iuf h GLU 647 N 1.09 0.46 -0.86 1.13 5.08 -1.10 0.98 114.58 121.36 2iuf h GLU 647 Ca 0.28 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.68 2iuf h GLU 647 Cb -0.02 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2iuf h GLU 647 CO -0.05 0.36 0.56 0.77 -1.00 0.00 0.00 179.01 179.65 2iuf h SER 648 N 0.42 0.80 -0.25 1.42 0.02 -0.85 -1.15 113.55 113.96 2iuf h SER 648 Ca 0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2iuf h SER 648 Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2iuf h SER 648 CO -0.02 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 2iuf n GLY 649 N -1.41 0.31 3.50 -3.77 0.00 -0.51 -4.59 105.19 98.73 2iuf n GLY 649 Ca 0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2iuf n GLY 649 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2iuf n GLN 650 N 0.31 -6.18 -3.78 1.61 6.02 -0.44 -4.97 117.38 109.95 2iuf n GLN 650 Ca 0.12 0.77 -0.37 0.00 -0.01 0.00 0.00 57.00 57.50 2iuf n GLN 650 Cb 0.26 -5.71 -0.13 0.00 1.02 0.00 0.00 30.24 25.69 2iuf n GLN 650 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2iuf s ILE 651 N -3.24 3.80 0.08 5.09 1.01 0.25 -5.03 121.20 123.16 2iuf s ILE 651 Ca 0.52 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 2iuf s ILE 651 Cb -0.24 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 2iuf s ILE 651 CO 0.64 0.04 0.76 -0.55 0.00 0.00 0.00 174.94 175.82 2iuf s SER 652 N 1.46 7.25 0.03 3.58 0.15 -1.26 -4.24 113.70 120.67 2iuf s SER 652 Ca 0.01 1.49 0.13 0.00 0.70 0.00 0.00 55.95 58.28 2iuf s SER 652 Cb -0.18 -2.47 0.57 0.00 -1.71 0.00 0.00 66.02 62.23 2iuf s SER 652 CO 0.02 0.08 1.42 -1.54 1.20 0.00 0.00 173.24 174.41 2iuf n SER 653 N 2.45 0.08 0.26 5.45 3.41 -1.26 -1.53 113.62 122.48 2iuf n SER 653 Ca -0.04 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.26 2iuf n SER 653 Cb 0.50 -0.54 0.62 0.00 -0.26 0.00 0.00 64.21 64.53 2iuf n SER 653 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2iuf h GLU 654 N 0.00 0.00 -7.08 4.33 4.39 -1.92 -3.44 114.58 110.86 2iuf h GLU 654 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2iuf h GLU 654 Cb 0.22 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2iuf h GLU 654 CO 0.00 0.00 0.40 1.03 -1.16 0.00 0.00 179.01 179.28 2iuf s ARG 655 N -3.59 3.67 0.38 2.33 1.81 -0.58 -4.99 118.95 117.98 2iuf s ARG 655 Ca 0.02 1.44 -0.28 0.00 -1.72 0.00 0.00 55.73 55.19 2iuf s ARG 655 Cb 0.09 -2.07 -0.11 0.00 -0.45 0.00 0.00 34.95 32.41 2iuf s ARG 655 CO 0.54 -0.56 1.47 -0.65 -0.68 0.00 0.00 175.30 175.42 2iuf s GLN 656 N -3.25 4.11 -0.40 3.54 -1.52 -1.26 -3.01 119.66 117.88 2iuf s GLN 656 Ca 0.69 2.53 0.00 0.00 -1.95 0.00 0.00 55.36 56.63 2iuf s GLN 656 Cb -0.19 -2.96 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 2iuf s GLN 656 CO 0.22 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.16 2iuf n GLY 657 N 0.49 0.68 3.04 3.09 0.00 -1.26 -5.00 105.19 106.23 2iuf n GLY 657 Ca 0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2iuf n GLY 657 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuf s VAL 658 N -2.11 1.53 -0.05 1.61 1.01 -1.16 -0.87 120.40 120.36 2iuf s VAL 658 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2iuf s VAL 658 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.97 2iuf s VAL 658 CO 0.00 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.11 2iuf s TYR 659 N 1.22 1.42 0.03 5.22 2.02 0.08 -4.77 117.35 122.57 2iuf s TYR 659 Ca -0.01 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 2iuf s TYR 659 Cb -0.14 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 2iuf s TYR 659 CO -0.06 -0.19 -0.16 0.95 -1.57 0.00 0.00 175.55 174.53 2iuf s THR 660 N 0.29 2.95 0.03 -0.71 -4.23 -1.26 -1.09 115.64 111.61 2iuf s THR 660 Ca -0.07 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2iuf s THR 660 Cb -0.12 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 2iuf s THR 660 CO 0.02 0.37 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.59 2iuf s GLY 661 N -1.37 0.37 0.20 3.99 0.00 -0.69 -4.96 107.32 104.86 2iuf s GLY 661 Ca 0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.21 2iuf s GLY 661 CO 0.05 -0.63 1.67 1.70 0.00 0.00 0.00 173.10 175.89 2iuf h LYS 662 N 4.86 0.99 0.00 2.90 3.64 -1.95 0.17 116.57 127.19 2iuf h LYS 662 Ca -0.33 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 58.62 2iuf h LYS 662 Cb 1.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2iuf h LYS 662 CO 0.43 0.98 0.11 0.27 -2.27 0.00 0.00 179.45 178.97 2iuf n ASN 663 N -4.18 -1.97 -1.58 4.20 0.23 -1.26 -3.92 115.26 106.78 2iuf n ASN 663 Ca 0.03 -2.73 -0.11 0.00 -0.53 0.00 0.00 54.58 51.24 2iuf n ASN 663 Cb 0.34 3.38 0.06 0.00 -2.08 0.00 0.00 39.78 41.49 2iuf n ASN 663 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2iuf n ALA 664 N -0.58 4.07 -2.00 -2.53 0.00 -1.26 -4.60 120.51 113.61 2iuf n ALA 664 Ca -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2iuf n ALA 664 Cb 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2iuf n ALA 664 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuf n GLY 665 N 0.04 0.51 0.37 0.00 0.00 -1.26 -3.81 105.19 101.04 2iuf n GLY 665 Ca 0.24 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.42 2iuf n GLY 665 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2iuf h ASP 666 N 0.00 0.92 -0.39 1.61 3.32 -1.95 -1.32 116.42 118.61 2iuf h ASP 666 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2iuf h ASP 666 Cb 0.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2iuf h ASP 666 CO 0.00 0.52 0.24 0.00 -1.72 0.00 0.00 179.24 178.29 2iuf h ALA 667 N 1.52 0.49 -0.36 3.45 0.00 -1.94 0.16 119.26 122.60 2iuf h ALA 667 Ca 0.46 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 2iuf h ALA 667 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2iuf h ALA 667 CO -0.22 -0.03 -0.29 0.35 0.00 0.00 0.00 179.25 179.06 2iuf h PHE 668 N 0.52 0.99 -0.96 0.00 3.57 -1.71 -2.62 116.94 116.72 2iuf h PHE 668 Ca 0.14 -0.28 0.07 0.00 3.53 0.00 0.00 57.97 61.42 2iuf h PHE 668 Cb -0.02 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.44 2iuf h PHE 668 CO -0.04 1.07 0.62 0.00 -2.23 0.00 0.00 178.31 177.73 2iuf h ALA 669 N 0.76 1.45 -0.86 2.41 0.00 -0.88 -0.34 119.26 121.81 2iuf h ALA 669 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2iuf h ALA 669 Cb 0.87 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2iuf h ALA 669 CO 0.08 0.40 0.44 -0.22 0.00 0.00 0.00 179.25 179.95 2iuf h LYS 670 N 1.11 1.22 -0.34 0.00 3.64 -0.46 -0.46 116.57 121.29 2iuf h LYS 670 Ca 0.41 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2iuf h LYS 670 Cb 0.18 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2iuf h LYS 670 CO -0.16 0.92 0.04 -0.44 -2.27 0.00 0.00 179.45 177.54 2iuf h ASP 671 N 1.22 0.56 -0.95 4.20 3.32 -0.86 -1.52 116.42 122.39 2iuf h ASP 671 Ca 0.30 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2iuf h ASP 671 Cb 0.08 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2iuf h ASP 671 CO -0.04 0.70 0.63 0.40 -1.72 0.00 0.00 179.24 179.20 2iuf h ILE 672 N 0.40 1.24 -0.71 0.35 1.08 -0.84 -1.18 117.51 117.85 2iuf h ILE 672 Ca 0.10 -0.44 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2iuf h ILE 672 Cb 0.39 -0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 2iuf h ILE 672 CO 0.01 0.23 0.18 0.11 -0.69 0.00 0.00 178.15 178.00 2iuf h LYS 673 N 1.28 1.13 -0.57 2.37 1.57 -0.91 0.52 116.57 121.96 2iuf h LYS 673 Ca 0.35 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2iuf h LYS 673 Cb -0.14 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 31.99 2iuf h LYS 673 CO -0.08 0.99 0.35 1.03 -0.57 0.00 0.00 179.45 181.18 2iuf h SER 674 N 1.07 0.58 -0.11 0.86 0.87 -0.93 -0.73 113.55 115.16 2iuf h SER 674 Ca 0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2iuf h SER 674 Cb 0.36 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2iuf h SER 674 CO 0.00 0.41 0.06 1.23 -0.53 0.00 0.00 176.83 178.00 2iuf h GLY 675 N 0.70 0.16 0.96 5.77 0.00 -0.89 -2.32 103.07 107.46 2iuf h GLY 675 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2iuf h GLY 675 CO -0.09 0.07 0.64 1.41 0.00 0.00 0.00 176.54 178.57 2iuf h LEU 676 N 0.08 1.10 -0.99 3.11 3.38 -0.74 0.13 115.31 121.38 2iuf h LEU 676 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2iuf h LEU 676 Cb 0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2iuf h LEU 676 CO -0.01 0.78 0.59 0.28 0.09 0.00 0.00 178.44 180.18 2iuf h SER 677 N 1.29 1.13 -0.28 -0.43 0.02 -0.96 -2.14 113.55 112.18 2iuf h SER 677 Ca 0.37 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 2iuf h SER 677 Cb -0.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 2iuf h SER 677 CO -0.09 0.85 -0.30 0.74 -1.14 0.00 0.00 176.83 176.88 2iuf h THR 678 N 1.30 1.28 0.00 -2.27 2.02 -0.85 -0.37 112.91 114.02 2iuf h THR 678 Ca 0.34 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2iuf h THR 678 Cb -0.09 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2iuf h THR 678 CO -0.07 0.48 0.00 0.33 0.37 0.00 0.00 175.52 176.63 2iuf n PHE 679 N -4.08 0.00 -4.60 3.16 7.35 0.41 -4.75 117.46 114.95 2iuf n PHE 679 Ca -0.01 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 2iuf n PHE 679 Cb 0.48 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.15 2iuf n PHE 679 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2iuf s LYS 680 N 0.00 1.49 -0.73 -4.13 2.20 -1.26 -4.44 119.74 112.86 2iuf s LYS 680 Ca 0.00 -0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 54.96 2iuf s LYS 680 Cb 0.00 -1.29 0.08 0.00 -1.51 0.00 0.00 37.83 35.11 2iuf s LYS 680 CO 0.00 0.12 1.02 -0.06 -0.36 0.00 0.00 175.35 176.07 2iuf s PHE 681 N 0.33 2.77 -0.54 4.03 0.08 0.65 -4.94 117.98 120.37 2iuf s PHE 681 Ca -0.08 -0.76 0.23 0.00 0.12 0.00 0.00 56.93 56.45 2iuf s PHE 681 Cb -0.12 -4.31 0.94 0.00 -0.57 0.00 0.00 43.02 38.97 2iuf s PHE 681 CO 0.02 -1.62 1.70 1.28 -0.10 0.00 0.00 175.22 176.50 2iuf n LEU 682 N 7.48 0.62 0.00 -0.37 4.77 -1.26 -2.89 117.00 125.35 2iuf n LEU 682 Ca 0.04 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.75 2iuf n LEU 682 Cb 0.46 -0.55 0.44 0.00 -2.33 0.00 0.00 43.42 41.44 2iuf n LEU 682 CO 0.61 -0.51 0.76 -0.90 -1.33 0.00 0.00 177.39 176.02 2iuf n ASP 683 N -2.18 0.00 -0.41 -1.43 3.85 -1.26 -2.31 116.55 112.82 2iuf n ASP 683 Ca 0.02 0.07 0.10 0.00 -0.71 0.00 0.00 54.79 54.27 2iuf n ASP 683 Cb 0.24 -0.30 0.41 0.00 -1.35 0.00 0.00 41.12 40.12 2iuf n ASP 683 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2iuf n ARG 684 N -1.30 1.53 -4.87 0.11 1.74 -1.14 -4.80 116.66 107.93 2iuf n ARG 684 Ca 0.08 -0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 56.03 2iuf n ARG 684 Cb 0.15 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.06 2iuf n ARG 684 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2iuf s PHE 685 N -1.84 2.66 0.53 -1.55 0.08 -0.98 -5.02 117.98 111.85 2iuf s PHE 685 Ca 0.31 -1.14 -0.20 0.00 0.12 0.00 0.00 56.93 56.02 2iuf s PHE 685 Cb 0.16 -1.79 -0.06 0.00 -0.57 0.00 0.00 43.02 40.76 2iuf s PHE 685 CO 0.25 -0.49 1.16 0.00 -0.10 0.00 0.00 175.22 176.04 2iuf s ALA 686 N 0.60 2.75 0.02 5.36 0.00 -1.26 -5.03 121.76 124.20 2iuf s ALA 686 Ca -0.12 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2iuf s ALA 686 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2iuf s ALA 686 CO 0.03 -0.82 -0.15 0.08 0.00 0.00 0.00 175.76 174.90 2iuf s VAL 687 N -1.66 1.19 0.74 0.00 1.01 -1.26 -5.01 120.40 115.41 2iuf s VAL 687 Ca 0.71 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 2iuf s VAL 687 Cb -0.27 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.11 2iuf s VAL 687 CO 0.31 0.17 1.24 -1.81 0.00 0.00 0.00 175.10 175.01 2iuf s ASP 688 N -0.79 4.04 0.00 3.32 1.01 -1.26 -5.19 116.67 117.81 2iuf s ASP 688 Ca 0.04 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.78 2iuf s ASP 688 Cb -0.07 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2iuf s ASP 688 CO 0.01 -2.37 0.38 -0.62 0.21 0.00 0.00 175.17 172.77