#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 -0.05 0.70 3.69 4.15 -2.07 -0.94 115.11 120.59 2iuf h GLN 3 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2iuf h GLN 3 Cb 0.00 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.71 2iuf h GLN 3 CO 0.00 -0.03 -0.34 0.35 -1.93 0.00 0.00 178.83 176.88 2iuf h PHE 4 N -0.05 -0.87 0.00 3.99 3.57 -2.03 -3.11 116.94 118.43 2iuf h PHE 4 Ca 0.33 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 2iuf h PHE 4 Cb 0.60 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2iuf h PHE 4 CO -0.76 -0.53 -0.07 -0.07 -2.23 0.00 0.00 178.31 174.65 2iuf h LEU 5 N -1.00 0.00 -1.84 0.59 3.38 -1.90 -2.99 115.31 111.55 2iuf h LEU 5 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2iuf h LEU 5 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2iuf h LEU 5 CO 0.16 0.07 0.00 0.77 0.09 0.00 0.00 178.44 179.53 2iuf h SER 6 N 0.00 0.00 0.13 -0.43 4.64 -1.10 -1.46 113.55 115.34 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2iuf h SER 6 CO 0.01 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.03 2iuf h GLN 7 N 0.00 0.00 -0.02 4.77 3.07 -1.60 -2.33 115.11 119.00 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 2iuf h GLN 7 CO 0.00 0.00 -0.01 1.19 0.09 0.00 0.00 178.83 180.10 2iuf n PHE 8 N -2.76 0.00 -2.10 0.06 3.72 -0.55 -4.99 117.46 110.84 2iuf n PHE 8 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 2iuf n PHE 8 Cb 0.09 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.39 3.06 -0.28 1.38 2.02 -0.88 -5.02 117.35 116.24 2iuf s TYR 9 Ca 0.19 1.32 -0.03 0.00 -0.37 0.00 0.00 57.07 58.18 2iuf s TYR 9 Cb 0.14 -3.70 0.03 0.00 -0.40 0.00 0.00 41.96 38.02 2iuf s TYR 9 CO 0.21 -2.02 -0.00 -0.51 -1.57 0.00 0.00 175.55 171.66 2iuf s LEU 10 N -1.38 3.58 -0.31 -1.29 1.43 -1.26 -5.08 118.68 114.37 2iuf s LEU 10 Ca 0.52 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 2iuf s LEU 10 Cb -0.40 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 2iuf s LEU 10 CO 0.50 -0.19 0.47 0.21 0.23 0.00 0.00 176.35 177.57 2iuf s ASN 11 N 1.35 6.31 -0.33 2.29 3.84 -1.26 -4.96 114.94 122.19 2iuf s ASN 11 Ca -0.01 0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.27 2iuf s ASN 11 Cb -0.18 -2.25 0.47 0.00 -0.55 0.00 0.00 41.25 38.74 2iuf s ASN 11 CO -0.02 -0.36 1.41 0.47 -2.79 0.00 0.00 177.10 175.81 2iuf n ASP 12 N 5.58 3.92 -4.70 -4.21 8.00 -1.26 -4.99 116.55 118.89 2iuf n ASP 12 Ca -0.06 -3.80 -0.40 0.00 0.71 0.00 0.00 54.79 51.24 2iuf n ASP 12 Cb 0.49 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.45 4.41 -1.16 -1.24 -0.21 -1.26 -4.43 119.66 112.31 2iuf s GLN 13 Ca 0.49 0.95 -0.19 0.00 0.02 0.00 0.00 55.36 56.62 2iuf s GLN 13 Cb 0.42 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 2iuf s GLN 13 CO 0.00 -0.04 0.77 -3.47 -2.12 0.00 0.00 175.29 170.43 2iuf n ASP 14 N 4.16 -4.93 -4.13 5.90 2.03 -1.26 -5.00 116.55 113.33 2iuf n ASP 14 Ca 0.01 -1.01 -0.09 0.00 0.52 0.00 0.00 54.79 54.21 2iuf n ASP 14 Cb 0.51 -3.36 -0.10 0.00 -0.72 0.00 0.00 41.12 37.44 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 -3.50 0.42 0.25 5.18 -7.23 -1.26 -5.15 120.40 109.11 2iuf s VAL 15 Ca 0.44 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 2iuf s VAL 15 Cb -0.16 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 2iuf s VAL 15 CO 0.86 -0.92 0.81 -0.31 -0.31 0.00 0.00 175.10 175.23 2iuf s TYR 16 N -3.80 3.69 0.28 2.82 2.02 -1.26 -5.05 117.35 116.05 2iuf s TYR 16 Ca 0.10 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 58.05 2iuf s TYR 16 Cb 0.07 -2.74 -0.10 0.00 -0.40 0.00 0.00 41.96 38.78 2iuf s TYR 16 CO -0.07 0.31 1.47 -1.17 -1.57 0.00 0.00 175.55 174.52 2iuf s LEU 17 N -1.91 4.37 0.10 -1.29 2.96 -1.26 -4.98 118.68 116.67 2iuf s LEU 17 Ca 0.45 2.78 0.02 0.00 -0.22 0.00 0.00 54.13 57.16 2iuf s LEU 17 Cb -0.18 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 2iuf s LEU 17 CO 0.23 -0.75 -0.07 0.42 -1.32 0.00 0.00 176.35 174.86 2iuf s THR 18 N -0.27 0.73 1.25 3.68 -4.23 -1.26 -1.07 115.64 114.47 2iuf s THR 18 Ca 0.58 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 2iuf s THR 18 Cb -0.44 -1.68 0.31 0.00 1.34 0.00 0.00 72.50 72.03 2iuf s THR 18 CO 0.48 -0.86 1.07 -0.94 -0.54 0.00 0.00 174.62 173.83 2iuf s SER 19 N -3.03 0.47 0.00 3.99 1.04 0.12 -4.83 113.70 111.47 2iuf s SER 19 Ca 0.12 0.68 0.21 0.00 0.48 0.00 0.00 55.95 57.44 2iuf s SER 19 Cb 0.05 -0.95 1.09 0.00 0.10 0.00 0.00 66.02 66.31 2iuf s SER 19 CO -0.04 -4.40 1.67 0.59 0.98 0.00 0.00 173.24 172.04 2iuf n ASN 20 N -4.96 0.00 -0.45 7.02 3.02 -1.26 -2.04 115.26 116.59 2iuf n ASN 20 Ca 0.13 -0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.67 2iuf n ASN 20 Cb 0.60 -0.26 0.18 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.26 2.11 -1.04 2.41 0.24 -1.26 -4.99 118.33 114.53 2iuf n VAL 21 Ca 0.11 -2.57 -0.01 0.00 -2.04 0.00 0.00 64.34 59.83 2iuf n VAL 21 Cb 0.16 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.20 0.51 3.64 7.63 0.00 -0.87 -5.02 105.19 109.89 2iuf n GLY 22 Ca 0.19 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.72 1.84 0.34 -0.02 0.00 -1.26 -4.82 107.32 100.68 2iuf s GLY 23 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.21 2iuf s GLY 23 CO 0.00 1.63 1.43 -4.14 0.00 0.00 0.00 173.10 172.02 2iuf s PRO 24 N 2.58 4.20 0.19 2.90 0.02 -1.26 0.16 135.00 143.79 2iuf s PRO 24 Ca 0.32 2.43 -0.05 0.00 0.02 0.00 0.00 61.00 63.72 2iuf s PRO 24 Cb -0.15 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2iuf s PRO 24 CO 0.08 -0.42 0.23 0.96 -0.33 0.00 0.00 177.00 177.53 2iuf s ILE 25 N -0.95 0.03 0.21 2.83 -4.36 -0.23 -4.85 121.20 113.89 2iuf s ILE 25 Ca 0.53 -1.71 0.09 0.00 -0.26 0.00 0.00 60.65 59.30 2iuf s ILE 25 Cb -0.44 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 2iuf s ILE 25 CO 0.57 -0.15 -0.09 0.00 0.24 0.00 0.00 174.94 175.51 2iuf s GLN 26 N -4.07 2.06 0.00 0.37 -2.07 -1.26 -4.49 119.66 110.20 2iuf s GLN 26 Ca 0.28 -1.37 0.16 0.00 -1.82 0.00 0.00 55.36 52.61 2iuf s GLN 26 Cb 0.05 -2.11 0.27 0.00 -1.09 0.00 0.00 33.01 30.13 2iuf s GLN 26 CO 0.07 0.40 1.09 -0.40 -1.32 0.00 0.00 175.29 175.13 2iuf n ASP 27 N -0.25 0.47 -0.00 12.60 5.75 -1.26 -4.92 116.55 128.94 2iuf n ASP 27 Ca -0.09 -1.96 0.07 0.00 -0.01 0.00 0.00 54.79 52.80 2iuf n ASP 27 Cb 0.57 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.32 1.13 -4.15 0.11 -0.58 -1.26 -4.97 120.64 111.24 2iuf n GLU 28 Ca -0.01 -0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.46 2iuf n GLU 28 Cb 0.98 -1.28 -0.16 0.00 -0.57 0.00 0.00 31.44 30.40 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 -3.19 0.82 0.59 1.62 0.01 -1.26 -5.14 114.94 108.38 2iuf s ASN 29 Ca -0.01 -0.11 -0.19 0.00 -0.71 0.00 0.00 52.86 51.84 2iuf s ASN 29 Cb 0.10 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.37 2iuf s ASN 29 CO 0.60 -0.03 1.19 -0.44 -1.51 0.00 0.00 177.10 176.91 2iuf s SER 30 N 0.71 5.27 -0.10 -1.22 0.01 -1.26 -4.98 113.70 112.13 2iuf s SER 30 Ca -0.09 2.35 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 2iuf s SER 30 Cb -0.12 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2iuf s SER 30 CO -0.00 -1.54 1.18 -0.22 0.41 0.00 0.00 173.24 173.07 2iuf s LEU 31 N -4.04 4.24 0.17 2.44 2.96 -1.26 -5.02 118.68 118.17 2iuf s LEU 31 Ca 0.77 1.72 0.06 0.00 -0.22 0.00 0.00 54.13 56.46 2iuf s LEU 31 Cb -0.29 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 2iuf s LEU 31 CO 0.32 -0.62 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.66 2iuf s SER 32 N 1.54 2.23 -0.92 3.68 1.04 -1.26 -0.99 113.70 119.01 2iuf s SER 32 Ca 0.54 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 2iuf s SER 32 Cb -0.22 -0.08 0.12 0.00 0.10 0.00 0.00 66.02 65.93 2iuf s SER 32 CO 0.18 -0.22 1.15 0.00 0.98 0.00 0.00 173.24 175.34 2iuf s ALA 33 N -2.98 3.28 0.00 5.32 0.00 -1.01 -4.83 121.76 121.55 2iuf s ALA 33 Ca 0.19 -2.67 0.00 0.00 0.00 0.00 0.00 51.96 49.48 2iuf s ALA 33 Cb -0.00 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2iuf s ALA 33 CO 0.04 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.17 2iuf n GLY 34 N 5.64 -1.34 0.37 0.00 0.00 -1.26 -3.30 105.19 105.29 2iuf n GLY 34 Ca 0.23 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 1.28 -0.34 1.61 4.15 -2.02 -2.96 115.11 116.84 2iuf h GLN 35 Ca 0.00 -0.12 -0.22 0.00 0.77 0.00 0.00 58.65 59.08 2iuf h GLN 35 Cb 0.00 -0.27 -0.15 0.00 0.21 0.00 0.00 27.48 27.27 2iuf h GLN 35 CO 0.00 0.90 -0.34 0.54 -1.93 0.00 0.00 178.83 178.00 2iuf n ARG 36 N -4.36 2.16 -2.60 1.69 1.74 -1.26 -5.06 116.66 108.97 2iuf n ARG 36 Ca 0.11 -3.45 -0.22 0.00 -0.77 0.00 0.00 57.85 53.52 2iuf n ARG 36 Cb 0.06 -1.87 0.05 0.00 -1.02 0.00 0.00 32.46 29.68 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 -2.98 1.80 0.62 -0.13 0.00 -1.12 -5.03 107.32 100.48 2iuf s GLY 37 Ca 0.45 -1.39 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 2iuf s GLY 37 CO -0.02 -1.04 1.20 0.00 0.00 0.00 0.00 173.10 173.24 2iuf s ALA 38 N -2.88 2.47 0.20 3.20 0.00 -1.26 -4.50 121.76 118.99 2iuf s ALA 38 Ca 0.60 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 2iuf s ALA 38 Cb -0.09 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2iuf s ALA 38 CO 0.40 -1.28 1.09 0.99 0.00 0.00 0.00 175.76 176.97 2iuf s THR 39 N -1.72 3.81 0.12 0.00 2.01 -1.26 -2.39 115.64 116.21 2iuf s THR 39 Ca 0.76 1.61 -0.23 0.00 0.31 0.00 0.00 61.69 64.14 2iuf s THR 39 Cb -0.29 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.12 2iuf s THR 39 CO 0.35 0.30 0.70 -0.76 -0.69 0.00 0.00 174.62 174.52 2iuf s LEU 40 N -0.59 4.56 0.50 4.42 1.43 -0.17 -4.97 118.68 123.86 2iuf s LEU 40 Ca 0.48 1.49 0.16 0.00 -1.03 0.00 0.00 54.13 55.23 2iuf s LEU 40 Cb -0.30 -3.14 1.20 0.00 0.03 0.00 0.00 46.19 43.99 2iuf s LEU 40 CO 0.36 0.22 2.09 0.25 0.23 0.00 0.00 176.35 179.50 2iuf h LEU 41 N 4.51 0.00 0.00 1.79 5.85 -1.95 -2.12 115.31 123.39 2iuf h LEU 41 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2iuf h LEU 41 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2iuf h LEU 41 CO 0.65 0.07 0.00 0.00 -0.34 0.00 0.00 178.44 178.83 2iuf n GLN 42 N -4.40 0.56 -2.26 1.25 10.64 -1.26 -4.47 117.38 117.45 2iuf n GLN 42 Ca -0.03 0.02 -0.33 0.00 -1.83 0.00 0.00 57.00 54.83 2iuf n GLN 42 Cb 0.15 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.99 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 -2.11 5.69 0.46 2.61 -1.08 -0.80 -4.75 116.67 116.70 2iuf s ASP 43 Ca 0.28 -1.63 0.25 0.00 -0.52 0.00 0.00 52.55 50.93 2iuf s ASP 43 Cb 0.13 -2.58 1.03 0.00 -1.46 0.00 0.00 42.92 40.04 2iuf s ASP 43 CO 0.24 -2.33 1.87 2.19 0.52 0.00 0.00 175.17 177.66 2iuf h PHE 44 N 9.53 0.00 -0.07 -5.34 -0.00 -1.89 -2.40 116.94 116.77 2iuf h PHE 44 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.20 2iuf h PHE 44 Cb 0.94 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.89 2iuf h PHE 44 CO 1.28 0.20 -0.02 0.82 -0.00 0.00 0.00 178.31 180.59 2iuf h ILE 45 N 0.00 1.30 -0.02 0.88 2.04 -1.95 0.36 117.51 120.12 2iuf h ILE 45 Ca -0.00 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2iuf h ILE 45 Cb 0.67 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 2iuf h ILE 45 CO 0.03 0.26 -0.38 0.15 0.00 0.00 0.00 178.15 178.22 2iuf h PHE 46 N -0.22 -1.05 -0.61 1.37 3.57 -1.91 -2.55 116.94 115.55 2iuf h PHE 46 Ca 0.02 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2iuf h PHE 46 Cb 0.43 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2iuf h PHE 46 CO 0.06 -0.46 0.01 0.00 -2.23 0.00 0.00 178.31 175.69 2iuf h ARG 47 N -0.52 1.06 -0.63 1.11 3.08 -1.33 -0.68 114.38 116.48 2iuf h ARG 47 Ca 0.06 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 2iuf h ARG 47 Cb 0.61 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2iuf h ARG 47 CO -0.31 1.03 0.20 1.05 -1.07 0.00 0.00 179.97 180.87 2iuf h GLU 48 N 0.96 0.95 -0.09 0.04 -0.00 -0.88 0.13 114.58 115.69 2iuf h GLU 48 Ca 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 2iuf h GLU 48 Cb 0.55 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.14 2iuf h GLU 48 CO 0.03 0.81 0.01 -0.22 -0.00 0.00 0.00 179.01 179.64 2iuf h LYS 49 N 0.92 0.15 0.01 1.06 3.64 -1.22 -2.16 116.57 118.96 2iuf h LYS 49 Ca 0.21 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.36 2iuf h LYS 49 Cb 0.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2iuf h LYS 49 CO -0.01 0.38 -0.87 0.82 -2.27 0.00 0.00 179.45 177.50 2iuf h ILE 50 N -0.11 1.55 -0.25 2.00 1.08 -1.02 -2.21 117.51 118.56 2iuf h ILE 50 Ca 0.03 -2.75 -0.01 0.00 -0.39 0.00 0.00 64.86 61.74 2iuf h ILE 50 Cb 0.31 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 2iuf h ILE 50 CO 0.00 0.79 0.12 -0.61 -0.69 0.00 0.00 178.15 177.76 2iuf h GLN 51 N 0.05 0.35 -0.49 2.37 4.15 -0.72 0.28 115.11 121.11 2iuf h GLN 51 Ca -0.03 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.41 2iuf h GLN 51 Cb 1.50 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 2iuf h GLN 51 CO 0.12 0.36 0.16 0.00 -1.93 0.00 0.00 178.83 177.54 2iuf h ARG 52 N 0.26 0.32 -0.19 1.69 2.47 -1.37 -2.32 114.38 115.24 2iuf h ARG 52 Ca 0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2iuf h ARG 52 Cb 0.12 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2iuf h ARG 52 CO -0.01 0.21 0.12 0.35 0.56 0.00 0.00 179.97 181.21 2iuf h PHE 53 N 0.33 0.25 0.00 3.04 3.57 -0.99 -2.54 116.94 120.60 2iuf h PHE 53 Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2iuf h PHE 53 Cb 0.26 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2iuf h PHE 53 CO -0.17 0.17 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.62 2iuf h ASP 54 N 0.25 0.00 -0.26 0.41 3.32 -0.17 -2.29 116.42 117.68 2iuf h ASP 54 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2iuf h ASP 54 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2iuf h ASP 54 CO -0.01 0.02 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 2iuf n HIS 55 N -3.63 0.78 -0.04 4.55 8.25 -0.90 -4.74 115.22 119.49 2iuf n HIS 55 Ca -0.03 -0.81 0.01 0.00 -0.26 0.00 0.00 57.72 56.64 2iuf n HIS 55 Cb 0.11 -0.25 0.32 0.00 1.12 0.00 0.00 29.99 31.29 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 1.71 0.62 -6.83 -0.41 5.08 -1.02 -3.45 114.58 110.28 2iuf h GLU 56 Ca 0.00 -0.08 -0.48 0.00 -1.00 0.00 0.00 59.36 57.80 2iuf h GLU 56 Cb 1.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2iuf h GLU 56 CO 0.16 0.52 0.22 1.03 -1.00 0.00 0.00 179.01 179.94 2iuf s ARG 57 N -5.29 4.21 0.23 2.33 1.81 -1.26 -5.08 118.95 115.90 2iuf s ARG 57 Ca -0.08 0.96 0.09 0.00 -1.72 0.00 0.00 55.73 54.97 2iuf s ARG 57 Cb 0.16 -2.49 -0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2iuf s ARG 57 CO 0.76 0.16 -0.15 0.14 -0.68 0.00 0.00 175.30 175.53 2iuf s VAL 58 N -1.91 1.90 0.31 3.52 -7.23 -1.26 -5.11 120.40 110.62 2iuf s VAL 58 Ca 0.54 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 2iuf s VAL 58 Cb -0.12 -2.15 -0.12 0.00 0.56 0.00 0.00 36.38 34.55 2iuf s VAL 58 CO 0.18 -0.52 1.54 -2.65 -0.31 0.00 0.00 175.10 173.34 2iuf n PRO 59 N -0.46 2.60 -1.22 4.82 -0.02 -1.26 -4.96 135.00 134.50 2iuf n PRO 59 Ca -0.07 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 2iuf n PRO 59 Cb 0.61 -2.67 0.10 0.00 -0.02 0.00 0.00 33.50 31.52 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 -0.88 1.99 0.46 -0.52 -1.05 -1.26 -4.82 118.70 112.62 2iuf s GLU 60 Ca 0.62 1.41 -0.25 0.00 -0.15 0.00 0.00 54.97 56.60 2iuf s GLU 60 Cb -0.51 -1.85 -0.08 0.00 -0.44 0.00 0.00 34.13 31.25 2iuf s GLU 60 CO 0.52 -1.88 1.41 0.54 0.95 0.00 0.00 175.26 176.80 2iuf n ARG 61 N -3.40 2.17 0.16 -4.83 1.74 -1.26 -4.87 116.66 106.36 2iuf n ARG 61 Ca 0.11 0.77 0.06 0.00 -0.77 0.00 0.00 57.85 58.02 2iuf n ARG 61 Cb 0.52 -2.60 0.52 0.00 -1.02 0.00 0.00 32.46 29.88 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 2.19 1.79 -2.24 7.54 0.00 -1.97 -3.35 119.26 123.21 2iuf h ALA 62 Ca -0.50 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2iuf h ALA 62 Cb 1.28 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2iuf h ALA 62 CO 0.60 0.16 -0.69 0.14 0.00 0.00 0.00 179.25 179.47 2iuf s VAL 63 N -5.05 0.38 -1.50 0.00 -7.23 -1.26 -4.88 120.40 100.86 2iuf s VAL 63 Ca -0.06 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2iuf s VAL 63 Cb 0.17 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2iuf s VAL 63 CO 0.70 -0.96 0.21 1.41 -0.31 0.00 0.00 175.10 176.15 2iuf n HIS 64 N 0.06 -1.21 -0.04 2.82 -0.00 -0.11 -4.91 115.22 111.83 2iuf n HIS 64 Ca -0.13 0.18 0.05 0.00 -0.00 0.00 0.00 57.72 57.81 2iuf n HIS 64 Cb 0.61 -3.81 0.41 0.00 -0.00 0.00 0.00 29.99 27.20 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 0.88 1.71 -2.32 -1.41 0.00 -1.71 -3.40 119.26 113.02 2iuf h ALA 65 Ca -0.45 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 53.74 2iuf h ALA 65 Cb 1.32 -0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 2iuf h ALA 65 CO 0.51 0.25 -0.14 0.50 0.00 0.00 0.00 179.25 180.37 2iuf s ARG 66 N -5.53 3.12 0.23 0.00 6.06 -1.25 -4.42 118.95 117.16 2iuf s ARG 66 Ca -0.09 -0.73 -0.22 0.00 -2.50 0.00 0.00 55.73 52.19 2iuf s ARG 66 Cb 0.18 -3.98 0.04 0.00 0.06 0.00 0.00 34.95 31.24 2iuf s ARG 66 CO 0.74 -0.91 0.80 0.20 -2.50 0.00 0.00 175.30 173.63 2iuf s GLY 67 N 1.93 -0.15 0.04 8.12 0.00 -1.26 -1.59 107.32 114.40 2iuf s GLY 67 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.73 2iuf s GLY 67 CO 0.14 -0.05 -0.07 -1.59 0.00 0.00 0.00 173.10 171.53 2iuf s THR 68 N -3.70 0.46 0.22 0.90 2.01 0.89 -4.97 115.64 111.45 2iuf s THR 68 Ca 0.11 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2iuf s THR 68 Cb -0.04 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2iuf s THR 68 CO 0.05 -0.36 -0.17 -0.83 -0.69 0.00 0.00 174.62 172.61 2iuf s GLY 69 N -1.45 1.56 -0.05 4.40 0.00 -1.26 -0.49 107.32 110.03 2iuf s GLY 69 Ca -0.10 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.74 2iuf s GLY 69 CO 0.00 -1.77 0.44 0.00 0.00 0.00 0.00 173.10 171.77 2iuf s ALA 70 N -2.62 -1.12 0.47 3.20 0.00 -0.40 -4.52 121.76 116.77 2iuf s ALA 70 Ca 0.23 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 2iuf s ALA 70 Cb -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.91 2iuf s ALA 70 CO 0.09 -0.28 0.92 -1.01 0.00 0.00 0.00 175.76 175.48 2iuf s HIS 71 N -1.00 3.44 0.00 0.00 3.76 0.30 -1.26 115.29 120.53 2iuf s HIS 71 Ca -0.10 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 2iuf s HIS 71 Cb -0.03 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.95 2iuf s HIS 71 CO 0.05 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.09 2iuf n GLY 72 N -1.37 1.97 2.96 -2.22 0.00 -0.57 -0.90 105.19 105.07 2iuf n GLY 72 Ca 0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.63 0.09 -0.02 2.61 2.01 -0.03 -0.90 115.64 116.78 2iuf s THR 73 Ca 0.00 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2iuf s THR 73 Cb 0.00 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 2iuf s THR 73 CO 0.00 -0.39 -0.16 0.12 -0.69 0.00 0.00 174.62 173.50 2iuf s PHE 74 N -1.15 2.65 -0.14 4.92 5.36 0.25 -1.05 117.98 128.82 2iuf s PHE 74 Ca -0.12 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 2iuf s PHE 74 Cb -0.08 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2iuf s PHE 74 CO -0.01 0.20 -0.12 0.99 -1.46 0.00 0.00 175.22 174.82 2iuf s THR 75 N -0.80 1.46 0.27 0.12 2.01 -0.04 -1.19 115.64 117.47 2iuf s THR 75 Ca 0.13 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 2iuf s THR 75 Cb -0.11 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 2iuf s THR 75 CO 0.02 0.42 1.18 -0.55 -0.69 0.00 0.00 174.62 175.00 2iuf s SER 76 N 1.53 7.09 0.00 3.53 0.15 0.01 -1.18 113.70 124.83 2iuf s SER 76 Ca 0.05 2.38 0.26 0.00 0.70 0.00 0.00 55.95 59.34 2iuf s SER 76 Cb -0.13 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.33 2iuf s SER 76 CO -0.10 -0.31 1.58 -1.22 1.20 0.00 0.00 173.24 174.40 2iuf n TYR 77 N 1.39 0.00 -3.82 3.44 4.01 0.04 -0.41 117.16 121.82 2iuf n TYR 77 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2iuf n TYR 77 Cb 0.44 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -2.68 -0.03 -0.57 2.72 0.00 -1.26 -4.68 107.32 100.81 2iuf s GLY 78 Ca 0.20 -0.23 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 2iuf s GLY 78 CO 0.57 0.24 0.77 -0.35 0.00 0.00 0.00 173.10 174.34 2iuf s ASP 79 N -3.02 6.23 -0.19 1.64 -1.08 -1.26 -2.92 116.67 116.07 2iuf s ASP 79 Ca 0.14 -0.93 0.09 0.00 -0.52 0.00 0.00 52.55 51.33 2iuf s ASP 79 Cb -0.04 -2.35 0.58 0.00 -1.46 0.00 0.00 42.92 39.66 2iuf s ASP 79 CO 0.06 -1.12 1.43 0.79 0.52 0.00 0.00 175.17 176.85 2iuf n TRP 80 N 6.78 1.59 0.31 -5.34 7.02 -0.25 -4.60 117.44 122.94 2iuf n TRP 80 Ca -0.05 -0.62 0.20 0.00 -1.02 0.00 0.00 57.50 56.01 2iuf n TRP 80 Cb 0.45 -0.44 1.07 0.00 -2.42 0.00 0.00 31.31 29.97 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 2.67 0.00 0.24 -0.99 4.64 -1.76 0.15 113.55 118.49 2iuf h SER 81 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2iuf h SER 81 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2iuf h SER 81 CO 0.40 0.00 -0.05 0.59 -0.87 0.00 0.00 176.83 176.91 2iuf n ASN 82 N -2.92 0.39 -0.05 4.97 3.02 -1.26 -3.89 115.26 115.52 2iuf n ASN 82 Ca -0.02 -0.76 -0.08 0.00 -0.03 0.00 0.00 54.58 53.69 2iuf n ASN 82 Cb 0.08 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.87 2.80 -3.70 3.41 7.94 0.34 -4.94 117.00 121.98 2iuf n LEU 83 Ca 0.18 -0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.90 2iuf n LEU 83 Cb 0.23 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 43.74 2iuf n LEU 83 CO 0.21 0.64 0.13 0.28 -1.11 0.00 0.00 177.39 177.54 2iuf s THR 84 N -2.21 0.03 -2.10 1.96 -1.32 -0.11 -3.84 115.64 108.05 2iuf s THR 84 Ca -0.14 -0.23 0.28 0.00 -1.21 0.00 0.00 61.69 60.39 2iuf s THR 84 Cb 0.04 -0.69 0.75 0.00 -1.51 0.00 0.00 72.50 71.09 2iuf s THR 84 CO 0.23 -0.13 2.01 0.00 -2.21 0.00 0.00 174.62 174.53 2iuf n ALA 85 N 1.73 2.65 -1.69 11.08 0.00 0.42 -3.73 120.51 130.97 2iuf n ALA 85 Ca -0.18 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 2iuf n ALA 85 Cb 0.56 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.69 1.99 -0.26 0.00 0.00 -1.21 -4.71 120.51 115.63 2iuf n ALA 86 Ca 0.21 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.97 2iuf n ALA 86 Cb 0.15 -2.56 0.20 0.00 0.00 0.00 0.00 19.45 17.24 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 8.36 0.95 0.47 0.00 0.87 -1.92 -1.79 113.55 120.50 2iuf h SER 87 Ca -0.46 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2iuf h SER 87 Cb 1.23 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2iuf h SER 87 CO 0.94 0.70 0.00 2.22 -0.53 0.00 0.00 176.83 180.17 2iuf n PHE 88 N -4.40 0.15 -1.01 2.24 -1.74 -1.26 -1.68 117.46 109.76 2iuf n PHE 88 Ca 0.09 0.06 0.09 0.00 -0.56 0.00 0.00 57.45 57.13 2iuf n PHE 88 Cb 0.04 -0.60 0.24 0.00 1.52 0.00 0.00 39.48 40.69 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 -1.64 3.68 -0.03 5.98 4.77 -0.67 -4.59 117.00 124.50 2iuf n LEU 89 Ca 0.03 -3.04 0.12 0.00 -0.03 0.00 0.00 56.01 53.09 2iuf n LEU 89 Cb 0.16 -0.53 0.32 0.00 -2.33 0.00 0.00 43.42 41.04 2iuf n LEU 89 CO 0.13 0.69 0.55 -1.54 -1.33 0.00 0.00 177.39 175.89 2iuf n SER 90 N -0.65 0.49 -3.59 -1.43 3.41 -0.67 -1.09 113.62 110.10 2iuf n SER 90 Ca 0.21 -0.24 -0.16 0.00 -0.26 0.00 0.00 58.87 58.41 2iuf n SER 90 Cb 0.86 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 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 -2.93 -1.59 0.07 7.33 0.00 -1.18 -4.50 121.76 118.97 2iuf s ALA 91 Ca 0.14 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 2iuf s ALA 91 Cb 0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.98 2iuf s ALA 91 CO 0.65 -0.34 1.60 -2.00 0.00 0.00 0.00 175.76 175.67 2iuf s GLU 92 N -0.85 4.22 0.00 0.00 2.12 -1.15 -2.14 118.70 120.91 2iuf s GLU 92 Ca -0.09 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.52 2iuf s GLU 92 Cb -0.02 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2iuf s GLU 92 CO 0.07 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 2iuf n GLY 93 N 3.89 0.92 3.73 -1.50 0.00 0.46 -4.89 105.19 107.80 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 -0.49 4.21 -0.03 1.61 2.20 -0.91 -4.71 119.74 121.62 2iuf s LYS 94 Ca 0.00 2.39 0.05 0.00 -0.36 0.00 0.00 55.97 58.06 2iuf s LYS 94 Cb 0.00 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2iuf s LYS 94 CO 0.00 -0.58 -0.19 -1.21 -0.36 0.00 0.00 175.35 173.02 2iuf s GLU 95 N 0.60 2.34 -0.03 4.03 2.02 -1.26 -0.80 118.70 125.59 2iuf s GLU 95 Ca 0.67 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.88 2iuf s GLU 95 Cb -0.44 -2.25 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2iuf s GLU 95 CO 0.36 0.60 -0.03 0.99 0.02 0.00 0.00 175.26 177.20 2iuf s THR 96 N -0.70 0.37 0.69 3.63 2.01 -0.34 -4.98 115.64 116.33 2iuf s THR 96 Ca 0.11 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 2iuf s THR 96 Cb -0.10 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.02 2iuf s THR 96 CO 0.00 0.17 1.17 -2.84 -0.69 0.00 0.00 174.62 172.43 2iuf s PRO 97 N 0.72 2.45 0.09 4.92 0.02 -1.26 -0.59 135.00 141.35 2iuf s PRO 97 Ca -0.08 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.58 2iuf s PRO 97 Cb -0.12 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 2iuf s PRO 97 CO -0.01 -1.57 -0.03 -1.64 -0.33 0.00 0.00 177.00 173.42 2iuf s MET 98 N -3.90 0.77 -0.02 5.54 -1.94 -0.08 -0.79 119.30 118.88 2iuf s MET 98 Ca 0.72 -1.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2iuf s MET 98 Cb -0.26 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.60 2iuf s MET 98 CO 0.42 -0.09 -0.02 0.12 -0.01 0.00 0.00 175.02 175.45 2iuf s PHE 99 N -3.79 0.31 -0.03 -0.03 5.36 -0.93 -1.51 117.98 117.36 2iuf s PHE 99 Ca 0.12 -0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.10 2iuf s PHE 99 Cb 0.07 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.43 2iuf s PHE 99 CO -0.06 -0.07 -0.15 0.99 -1.46 0.00 0.00 175.22 174.46 2iuf s THR 100 N 0.52 1.27 -0.07 0.12 2.01 -0.39 -0.78 115.64 118.32 2iuf s THR 100 Ca -0.05 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2iuf s THR 100 Cb -0.08 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.35 2iuf s THR 100 CO -0.01 0.37 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.53 2iuf s ARG 101 N -0.07 1.96 0.20 4.92 3.52 -0.35 -1.28 118.95 127.85 2iuf s ARG 101 Ca -0.00 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 2iuf s ARG 101 Cb -0.09 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 31.66 2iuf s ARG 101 CO 0.01 0.11 0.10 -0.06 -0.81 0.00 0.00 175.30 174.65 2iuf s PHE 102 N 0.44 3.02 0.13 5.12 0.08 0.36 -1.07 117.98 126.06 2iuf s PHE 102 Ca -0.13 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 2iuf s PHE 102 Cb -0.15 -1.42 0.07 0.00 -0.57 0.00 0.00 43.02 40.95 2iuf s PHE 102 CO 0.04 0.53 0.83 -1.54 -0.10 0.00 0.00 175.22 174.98 2iuf s SER 103 N -3.30 -0.32 0.42 1.36 1.04 -1.00 -0.07 113.70 111.84 2iuf s SER 103 Ca 0.31 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2iuf s SER 103 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2iuf s SER 103 CO 0.22 -0.91 0.00 0.35 0.98 0.00 0.00 173.24 173.88 2iuf n THR 104 N -0.39 0.00 0.01 2.02 -2.24 -0.62 -0.83 114.28 112.22 2iuf n THR 104 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 2iuf n THR 104 Cb 0.61 -1.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.22 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 -1.10 0.50 0.10 2.28 0.31 -1.22 -3.84 118.33 115.36 2iuf n VAL 105 Ca 0.00 0.11 -0.24 0.00 -0.01 0.00 0.00 64.34 64.20 2iuf n VAL 105 Cb 0.00 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.21 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 -0.08 0.03 -2.51 3.52 0.00 -1.96 -0.25 119.26 118.01 2iuf h ALA 106 Ca -0.04 -1.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.34 2iuf h ALA 106 Cb 0.72 0.35 0.08 0.00 0.00 0.00 0.00 17.79 18.94 2iuf h ALA 106 CO -0.02 0.88 0.40 0.20 0.00 0.00 0.00 179.25 180.71 2iuf s GLY 107 N -4.91 2.38 0.99 0.00 0.00 -1.26 -4.64 107.32 99.87 2iuf s GLY 107 Ca -0.13 0.67 -0.15 0.00 0.00 0.00 0.00 44.72 45.10 2iuf s GLY 107 CO 0.89 1.02 1.22 -0.56 0.00 0.00 0.00 173.10 175.66 2iuf s SER 108 N -2.21 2.84 0.00 1.64 0.01 -1.26 -3.96 113.70 110.75 2iuf s SER 108 Ca 0.69 0.56 0.05 0.00 1.31 0.00 0.00 55.95 58.56 2iuf s SER 108 Cb -0.22 -0.82 0.27 0.00 0.21 0.00 0.00 66.02 65.47 2iuf s SER 108 CO 0.34 -2.93 0.65 -2.11 0.41 0.00 0.00 173.24 169.60 2iuf n ARG 109 N -3.95 0.32 0.00 12.44 1.85 -1.26 -1.61 116.66 124.44 2iuf n ARG 109 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2iuf n ARG 109 Cb 0.60 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 2iuf n ARG 109 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2iuf n GLY 110 N -0.27 0.98 3.75 2.89 0.00 -1.26 -4.70 105.19 106.58 2iuf n GLY 110 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.00 4.32 0.30 1.61 1.04 -0.63 -4.95 113.70 115.39 2iuf s SER 111 Ca 0.00 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 2iuf s SER 111 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 2iuf s SER 111 CO 0.00 -2.16 1.42 0.00 0.98 0.00 0.00 173.24 173.48 2iuf s ALA 112 N -2.72 3.58 0.24 5.32 0.00 -1.26 -4.90 121.76 122.01 2iuf s ALA 112 Ca 0.64 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.92 2iuf s ALA 112 Cb -0.19 -3.55 0.40 0.00 0.00 0.00 0.00 23.12 19.78 2iuf s ALA 112 CO 0.53 -0.79 1.79 -0.44 0.00 0.00 0.00 175.76 176.85 2iuf h ASP 113 N 4.08 0.57 -0.58 0.00 3.32 -1.30 -2.83 116.42 119.68 2iuf h ASP 113 Ca -0.48 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 2iuf h ASP 113 Cb 1.22 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 2iuf h ASP 113 CO 0.71 0.31 0.31 0.35 -1.72 0.00 0.00 179.24 179.20 2iuf n THR 114 N -4.81 2.28 -1.65 0.35 -2.24 -1.26 -4.89 114.28 102.05 2iuf n THR 114 Ca 0.13 -1.17 -0.38 0.00 -2.27 0.00 0.00 64.05 60.37 2iuf n THR 114 Cb 0.30 -0.56 0.06 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.29 0.53 -2.42 6.98 0.00 -1.07 -4.60 120.51 119.63 2iuf n ALA 115 Ca 0.33 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2iuf n ALA 115 Cb 1.16 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.91 4.39 0.05 0.00 3.52 -1.26 -4.76 118.95 117.98 2iuf s ARG 116 Ca 0.77 1.75 -0.28 0.00 -0.13 0.00 0.00 55.73 57.84 2iuf s ARG 116 Cb -0.41 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.63 2iuf s ARG 116 CO 0.46 -0.35 1.07 0.34 -0.81 0.00 0.00 175.30 176.00 2iuf s ASP 117 N 1.29 -0.16 0.55 -2.12 -1.08 -0.65 -4.79 116.67 109.71 2iuf s ASP 117 Ca 0.58 -0.24 -0.20 0.00 -0.52 0.00 0.00 52.55 52.17 2iuf s ASP 117 Cb -0.28 0.35 -0.05 0.00 -1.46 0.00 0.00 42.92 41.49 2iuf s ASP 117 CO 0.26 -0.63 1.25 -0.69 0.52 0.00 0.00 175.17 175.88 2iuf s VAL 118 N -2.94 2.54 -0.05 1.11 1.01 -1.26 -4.27 120.40 116.54 2iuf s VAL 118 Ca 0.12 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2iuf s VAL 118 Cb 0.01 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2iuf s VAL 118 CO -0.02 -0.04 -0.22 -1.00 0.00 0.00 0.00 175.10 173.83 2iuf s HIS 119 N -1.49 2.49 0.46 5.22 3.76 -1.26 -3.44 115.29 121.04 2iuf s HIS 119 Ca 0.73 -0.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.96 2iuf s HIS 119 Cb -0.33 -1.59 -0.09 0.00 1.11 0.00 0.00 32.58 31.68 2iuf s HIS 119 CO 0.38 -0.05 1.03 0.20 -0.85 0.00 0.00 174.74 175.45 2iuf s GLY 120 N -0.44 2.54 -0.44 -2.22 0.00 -0.01 -0.29 107.32 106.45 2iuf s GLY 120 Ca 0.05 0.61 0.05 0.00 0.00 0.00 0.00 44.72 45.43 2iuf s GLY 120 CO 0.01 0.94 0.51 -0.12 0.00 0.00 0.00 173.10 174.45 2iuf s PHE 121 N -1.93 -0.37 -0.22 1.90 2.19 0.45 -2.37 117.98 117.62 2iuf s PHE 121 Ca 0.65 -1.23 -0.06 0.00 0.33 0.00 0.00 56.93 56.62 2iuf s PHE 121 Cb -0.17 -0.28 -0.03 0.00 -1.31 0.00 0.00 43.02 41.24 2iuf s PHE 121 CO 0.21 -1.05 0.04 0.00 1.83 0.00 0.00 175.22 176.25 2iuf s ALA 122 N 0.73 3.15 -0.12 11.12 0.00 -0.23 -1.25 121.76 135.15 2iuf s ALA 122 Ca 0.28 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2iuf s ALA 122 Cb -0.02 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2iuf s ALA 122 CO -0.10 -0.28 -0.13 0.95 0.00 0.00 0.00 175.76 176.20 2iuf s THR 123 N 1.23 1.42 -0.17 0.00 -4.23 -0.34 -1.21 115.64 112.34 2iuf s THR 123 Ca 0.04 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.91 2iuf s THR 123 Cb -0.14 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 2iuf s THR 123 CO 0.03 0.43 0.08 -0.60 -0.54 0.00 0.00 174.62 174.02 2iuf s ARG 124 N 1.31 3.91 -0.26 3.99 3.52 0.04 -1.02 118.95 130.44 2iuf s ARG 124 Ca -0.00 -0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2iuf s ARG 124 Cb -0.14 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2iuf s ARG 124 CO -0.06 0.36 0.07 -0.06 -0.81 0.00 0.00 175.30 174.80 2iuf s PHE 125 N 0.14 3.09 -1.28 5.12 0.40 0.55 -2.18 117.98 123.82 2iuf s PHE 125 Ca 0.06 -0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 2iuf s PHE 125 Cb -0.12 -2.24 0.14 0.00 0.51 0.00 0.00 43.02 41.31 2iuf s PHE 125 CO 0.00 -0.41 1.73 0.66 0.70 0.00 0.00 175.22 177.90 2iuf n TYR 126 N 4.91 4.09 -1.74 0.36 4.01 0.03 -1.32 117.16 127.50 2iuf n TYR 126 Ca -0.16 -3.04 -0.31 0.00 -0.16 0.00 0.00 57.90 54.23 2iuf n TYR 126 Cb 0.51 -2.24 0.03 0.00 -0.31 0.00 0.00 39.34 37.33 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 1.85 4.28 -1.64 -0.72 -4.23 -1.00 -4.40 115.64 109.78 2iuf s THR 127 Ca 0.44 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.87 2iuf s THR 127 Cb 0.04 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.64 2iuf s THR 127 CO 0.00 -0.97 1.50 -0.90 -0.54 0.00 0.00 174.62 173.72 2iuf n ASP 128 N -2.95 0.00 -0.75 3.99 3.85 -1.26 -2.21 116.55 117.22 2iuf n ASP 128 Ca 0.07 -0.18 0.06 0.00 -0.71 0.00 0.00 54.79 54.02 2iuf n ASP 128 Cb 0.54 -0.18 0.16 0.00 -1.35 0.00 0.00 41.12 40.29 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 -1.18 1.23 0.00 0.11 -0.58 -1.26 -4.83 120.64 114.13 2iuf n GLU 129 Ca 0.10 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.87 2iuf n GLU 129 Cb 0.11 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.79 2.73 3.73 0.62 0.00 -0.94 -4.74 105.19 105.81 2iuf n GLY 130 Ca 0.16 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 7.13 -0.16 1.61 0.01 -1.26 -2.38 114.94 119.89 2iuf s ASN 131 Ca 0.00 2.15 0.01 0.00 -0.71 0.00 0.00 52.86 54.31 2iuf s ASN 131 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2iuf s ASN 131 CO 0.00 -0.36 -0.16 0.12 -1.51 0.00 0.00 177.10 175.20 2iuf s PHE 132 N 0.15 2.37 -0.12 2.20 5.36 -0.44 -3.93 117.98 123.57 2iuf s PHE 132 Ca 0.53 -1.37 -0.00 0.00 -0.96 0.00 0.00 56.93 55.13 2iuf s PHE 132 Cb -0.31 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2iuf s PHE 132 CO 0.35 -0.72 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.77 2iuf s ASP 133 N 1.42 4.26 -0.39 6.13 1.01 -0.58 -0.33 116.67 128.19 2iuf s ASP 133 Ca 0.05 -0.24 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 2iuf s ASP 133 Cb -0.13 -1.52 0.07 0.00 1.01 0.00 0.00 42.92 42.35 2iuf s ASP 133 CO -0.11 0.21 0.21 -0.63 0.21 0.00 0.00 175.17 175.05 2iuf s ILE 134 N 0.12 3.97 -0.86 0.77 1.01 -0.19 -4.66 121.20 121.37 2iuf s ILE 134 Ca -0.05 -1.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.04 2iuf s ILE 134 Cb -0.14 -3.41 0.20 0.00 0.01 0.00 0.00 42.46 39.11 2iuf s ILE 134 CO 0.04 -0.43 0.86 -0.69 0.00 0.00 0.00 174.94 174.72 2iuf s VAL 135 N 1.38 5.39 0.26 2.92 1.01 -1.26 -1.20 120.40 128.90 2iuf s VAL 135 Ca 0.02 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.78 2iuf s VAL 135 Cb -0.22 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.63 2iuf s VAL 135 CO 0.01 -1.15 0.18 0.61 0.00 0.00 0.00 175.10 174.75 2iuf n GLY 136 N 4.36 2.97 3.31 4.51 0.00 -0.38 -4.93 105.19 115.03 2iuf n GLY 136 Ca 0.17 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.55 1.27 0.00 1.61 0.01 -0.65 -0.41 114.94 114.22 2iuf s ASN 137 Ca 0.14 -1.50 0.15 0.00 -0.71 0.00 0.00 52.86 50.93 2iuf s ASN 137 Cb -0.01 0.34 0.63 0.00 0.41 0.00 0.00 41.25 42.62 2iuf s ASN 137 CO 0.09 -0.85 1.44 -0.46 -1.51 0.00 0.00 177.10 175.81 2iuf n ASN 138 N -0.76 1.06 -4.06 -1.22 6.94 0.60 -1.00 115.26 116.82 2iuf n ASN 138 Ca 0.01 -1.75 -0.23 0.00 -0.02 0.00 0.00 54.58 52.60 2iuf n ASN 138 Cb 0.65 -0.09 -0.16 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.81 1.08 -1.31 1.53 1.01 -1.26 -4.70 121.20 115.73 2iuf s ILE 139 Ca 0.24 -0.52 0.30 0.00 0.00 0.00 0.00 60.65 60.68 2iuf s ILE 139 Cb 0.13 -0.94 0.44 0.00 0.01 0.00 0.00 42.46 42.10 2iuf s ILE 139 CO 0.19 0.32 2.02 -0.81 0.00 0.00 0.00 174.94 176.66 2iuf n PRO 140 N 3.26 0.31 -4.25 2.79 -0.04 -1.26 -4.77 135.00 131.04 2iuf n PRO 140 Ca -0.18 -0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.05 2iuf n PRO 140 Cb 0.54 -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 -2.69 1.52 0.36 0.52 -7.23 -1.26 -4.28 120.40 107.34 2iuf s VAL 141 Ca 0.24 -1.50 0.08 0.00 -1.81 0.00 0.00 61.98 59.00 2iuf s VAL 141 Cb 0.20 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.66 2iuf s VAL 141 CO 0.48 -0.14 0.05 0.12 -0.31 0.00 0.00 175.10 175.30 2iuf s PHE 142 N -1.29 2.56 0.35 2.82 5.36 -0.19 -4.65 117.98 122.94 2iuf s PHE 142 Ca 0.04 -0.49 0.13 0.00 -0.96 0.00 0.00 56.93 55.65 2iuf s PHE 142 Cb -0.10 -1.62 0.69 0.00 -0.34 0.00 0.00 43.02 41.66 2iuf s PHE 142 CO 0.04 0.42 1.80 0.74 -1.46 0.00 0.00 175.22 176.75 2iuf h PHE 143 N 1.73 0.00 -3.77 10.12 0.04 -1.88 -3.38 116.94 119.80 2iuf h PHE 143 Ca -0.43 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.07 2iuf h PHE 143 Cb 1.25 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.23 2iuf h PHE 143 CO 0.69 0.40 -0.71 0.96 -0.60 0.00 0.00 178.31 179.05 2iuf s ILE 144 N -4.08 0.78 -1.52 -0.55 -4.36 -1.26 -1.97 121.20 108.23 2iuf s ILE 144 Ca -0.02 -1.73 0.15 0.00 -0.26 0.00 0.00 60.65 58.78 2iuf s ILE 144 Cb 0.14 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 42.44 2iuf s ILE 144 CO 0.72 -0.70 0.86 0.00 0.24 0.00 0.00 174.94 176.06 2iuf n GLN 145 N 0.34 1.56 -3.74 0.37 6.02 -1.26 -4.71 117.38 115.96 2iuf n GLN 145 Ca -0.15 -0.98 -0.13 0.00 -0.01 0.00 0.00 57.00 55.74 2iuf n GLN 145 Cb 0.59 -1.25 -0.13 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.59 -0.24 0.59 1.08 -1.08 -1.26 -3.73 116.67 110.43 2iuf s ASP 146 Ca 0.14 0.48 0.28 0.00 -0.52 0.00 0.00 52.55 52.94 2iuf s ASP 146 Cb 0.12 0.38 1.71 0.00 -1.46 0.00 0.00 42.92 43.68 2iuf s ASP 146 CO 0.31 -0.15 2.18 0.00 0.52 0.00 0.00 175.17 178.02 2iuf h ALA 147 N 7.02 1.69 0.00 3.66 0.00 -1.65 -1.69 119.26 128.29 2iuf h ALA 147 Ca -0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2iuf h ALA 147 Cb 1.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2iuf h ALA 147 CO 0.38 -0.14 -0.03 0.97 0.00 0.00 0.00 179.25 180.43 2iuf h ILE 148 N 0.00 0.17 -0.00 0.00 2.10 -1.94 -1.71 117.51 116.12 2iuf h ILE 148 Ca 0.04 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2iuf h ILE 148 Cb 0.23 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 2iuf h ILE 148 CO -0.00 0.03 -0.04 0.18 -1.08 0.00 0.00 178.15 177.24 2iuf n LEU 149 N -3.26 0.32 -0.15 2.19 4.77 -0.64 -4.36 117.00 115.87 2iuf n LEU 149 Ca -0.02 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2iuf n LEU 149 Cb 0.18 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2iuf n LEU 149 CO 0.25 0.06 1.02 0.15 -1.33 0.00 0.00 177.39 177.54 2iuf h PHE 150 N 0.44 0.46 0.00 -1.77 3.57 -1.46 -1.38 116.94 116.80 2iuf h PHE 150 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2iuf h PHE 150 Cb 0.25 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2iuf h PHE 150 CO 0.00 0.25 -0.09 -1.35 -2.23 0.00 0.00 178.31 174.89 2iuf h PRO 151 N 0.50 0.00 0.20 6.41 0.11 -1.82 0.15 132.00 137.54 2iuf h PRO 151 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2iuf h PRO 151 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2iuf h PRO 151 CO -0.11 0.09 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.23 2iuf h ASP 152 N 0.00 -0.22 -0.36 -2.05 5.19 -1.59 0.24 116.42 117.62 2iuf h ASP 152 Ca -0.00 -0.26 0.07 0.00 -0.62 0.00 0.00 57.03 56.21 2iuf h ASP 152 Cb 0.16 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.67 2iuf h ASP 152 CO 0.01 0.18 -0.00 0.25 -3.12 0.00 0.00 179.24 176.55 2iuf h LEU 153 N -0.66 -0.15 -0.22 1.55 5.85 -1.01 -1.58 115.31 119.08 2iuf h LEU 153 Ca -0.03 0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 2iuf h LEU 153 Cb 0.47 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.66 2iuf h LEU 153 CO 0.04 -0.04 -0.77 0.40 -0.34 0.00 0.00 178.44 177.73 2iuf h ILE 154 N 0.10 1.30 -0.30 4.05 1.08 -0.98 -1.97 117.51 120.79 2iuf h ILE 154 Ca 0.18 -2.02 -0.04 0.00 -0.39 0.00 0.00 64.86 62.58 2iuf h ILE 154 Cb 0.24 2.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 2iuf h ILE 154 CO -0.30 0.63 0.02 0.45 -0.69 0.00 0.00 178.15 178.27 2iuf h HIS 155 N 0.47 0.46 -0.13 1.37 3.86 -0.89 -0.76 115.15 119.53 2iuf h HIS 155 Ca -0.05 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.94 2iuf h HIS 155 Cb 1.39 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.72 2iuf h HIS 155 CO 0.08 0.44 -0.68 0.00 0.86 0.00 0.00 177.93 178.63 2iuf h ALA 156 N 1.59 0.57 0.13 2.45 0.00 -0.97 -3.30 119.26 119.74 2iuf h ALA 156 Ca 0.10 -0.57 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 2iuf h ALA 156 Cb 0.26 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.02 2iuf h ALA 156 CO 0.00 0.72 -1.18 0.28 0.00 0.00 0.00 179.25 179.07 2iuf h VAL 157 N 0.38 1.32 -3.80 0.00 2.07 -1.12 -2.38 116.25 112.72 2iuf h VAL 157 Ca -0.02 -2.47 -0.45 0.00 0.82 0.00 0.00 66.70 64.58 2iuf h VAL 157 Cb 1.25 2.80 0.17 0.00 -1.52 0.00 0.00 31.29 33.99 2iuf h VAL 157 CO 0.12 0.74 0.17 -0.54 0.02 0.00 0.00 177.57 178.09 2iuf s LYS 158 N -2.88 0.13 0.70 1.57 1.02 -0.31 -4.57 119.74 115.39 2iuf s LYS 158 Ca -0.10 0.45 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 2iuf s LYS 158 Cb 0.05 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2iuf s LYS 158 CO 0.92 -2.92 1.10 -2.30 -0.92 0.00 0.00 175.35 171.22 2iuf n PRO 159 N -4.30 0.69 -1.71 -1.68 -0.02 -1.25 -4.84 135.00 121.89 2iuf n PRO 159 Ca 0.05 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 2iuf n PRO 159 Cb 0.57 -2.34 -0.00 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 -1.96 2.18 0.25 -0.52 0.63 -0.27 -4.77 116.66 112.20 2iuf n ARG 160 Ca 0.14 0.77 0.08 0.00 -0.92 0.00 0.00 57.85 57.92 2iuf n ARG 160 Cb 0.49 -2.40 0.63 0.00 0.45 0.00 0.00 32.46 31.63 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 2.51 0.00 0.64 5.14 0.00 -1.91 0.63 103.07 110.08 2iuf h GLY 161 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 2iuf h GLY 161 CO 0.62 0.00 -0.60 1.29 0.00 0.00 0.00 176.54 177.85 2iuf h ASP 162 N 0.00 0.42 0.00 0.19 3.04 -1.97 -3.41 116.42 114.70 2iuf h ASP 162 Ca -0.00 -0.86 0.00 0.00 -3.24 0.00 0.00 57.03 52.93 2iuf h ASP 162 Cb 0.09 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 2iuf h ASP 162 CO 0.01 1.24 0.00 -0.46 -2.04 0.00 0.00 179.24 177.99 2iuf n ASN 163 N -4.25 1.16 -3.79 4.15 0.23 -1.20 -5.03 115.26 106.53 2iuf n ASN 163 Ca -0.12 -1.28 -0.25 0.00 -0.53 0.00 0.00 54.58 52.41 2iuf n ASN 163 Cb 0.70 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.42 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 -0.14 -4.97 -4.80 -3.83 7.27 0.21 -4.97 117.38 106.14 2iuf n GLN 164 Ca 0.00 0.59 -0.26 0.00 0.07 0.00 0.00 57.00 57.41 2iuf n GLN 164 Cb 0.11 -5.22 -0.15 0.00 2.41 0.00 0.00 30.24 27.39 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 -3.58 1.57 0.09 1.69 1.01 -1.26 -4.54 121.20 116.18 2iuf s ILE 165 Ca 0.22 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2iuf s ILE 165 Cb -0.11 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2iuf s ILE 165 CO 0.82 0.33 0.21 -2.16 0.00 0.00 0.00 174.94 174.14 2iuf s PRO 166 N -0.76 3.36 0.23 2.79 0.04 -1.26 -1.11 135.00 138.29 2iuf s PRO 166 Ca 0.07 -0.52 -0.30 0.00 0.04 0.00 0.00 61.00 60.30 2iuf s PRO 166 Cb -0.08 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 2iuf s PRO 166 CO 0.00 0.58 1.31 -1.14 0.04 0.00 0.00 177.00 177.79 2iuf s GLN 167 N -2.69 4.38 -1.37 4.56 2.00 -1.26 -3.94 119.66 121.34 2iuf s GLN 167 Ca 0.34 2.09 -0.05 0.00 -2.00 0.00 0.00 55.36 55.75 2iuf s GLN 167 Cb -0.12 -3.16 0.00 0.00 0.80 0.00 0.00 33.01 30.52 2iuf s GLN 167 CO 0.27 -0.23 0.44 0.00 -0.50 0.00 0.00 175.29 175.27 2iuf n ALA 168 N 2.22 -2.12 -3.48 1.58 0.00 -1.26 -4.95 120.51 112.50 2iuf n ALA 168 Ca 0.05 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2iuf n ALA 168 Cb 0.42 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.91 -1.48 -2.29 0.00 0.00 -1.26 -4.60 121.76 108.22 2iuf s ALA 169 Ca 0.09 1.48 0.27 0.00 0.00 0.00 0.00 51.96 53.80 2iuf s ALA 169 Cb -0.04 -0.68 0.77 0.00 0.00 0.00 0.00 23.12 23.17 2iuf s ALA 169 CO 0.90 -0.30 1.58 0.25 0.00 0.00 0.00 175.76 178.19 2iuf n THR 170 N 2.22 0.00 -1.25 0.00 -2.24 -1.26 -4.72 114.28 107.03 2iuf n THR 170 Ca -0.16 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 2iuf n THR 170 Cb 0.56 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.04 7.06 -3.14 6.98 0.00 -1.26 -4.48 120.51 125.72 2iuf n ALA 171 Ca 0.15 -3.34 -0.11 0.00 0.00 0.00 0.00 53.44 50.14 2iuf n ALA 171 Cb 0.39 -3.34 -0.04 0.00 0.00 0.00 0.00 19.45 16.47 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 2.41 -0.32 0.21 0.00 -0.00 -1.26 -4.78 115.29 111.56 2iuf s HIS 172 Ca 0.65 0.04 -0.10 0.00 -0.00 0.00 0.00 55.06 55.65 2iuf s HIS 172 Cb 0.17 0.36 0.29 0.00 -0.00 0.00 0.00 32.58 33.39 2iuf s HIS 172 CO -0.06 -0.75 1.72 -0.44 -0.00 0.00 0.00 174.74 175.22 2iuf h ASP 173 N 2.25 0.11 -0.67 7.38 5.19 -1.87 -2.73 116.42 126.07 2iuf h ASP 173 Ca -0.34 0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 2iuf h ASP 173 Cb 1.27 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.86 2iuf h ASP 173 CO 0.44 0.07 0.21 0.77 -3.12 0.00 0.00 179.24 177.61 2iuf h SER 174 N 0.33 0.98 -0.12 6.45 4.64 -1.93 0.70 113.55 124.59 2iuf h SER 174 Ca 0.31 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2iuf h SER 174 Cb 0.43 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2iuf h SER 174 CO -0.36 0.92 0.02 0.00 -0.87 0.00 0.00 176.83 176.55 2iuf h ALA 175 N 1.09 0.12 0.00 5.18 0.00 -1.10 -1.42 119.26 123.12 2iuf h ALA 175 Ca 0.22 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2iuf h ALA 175 Cb 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2iuf h ALA 175 CO -0.01 -0.43 -0.54 -1.49 0.00 0.00 0.00 179.25 176.78 2iuf h TRP 176 N 0.07 0.00 0.09 0.00 4.06 -1.46 -0.90 115.95 117.81 2iuf h TRP 176 Ca 0.05 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.02 2iuf h TRP 176 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 2iuf h TRP 176 CO -0.12 0.54 -0.16 0.22 -3.56 0.00 0.00 178.44 175.36 2iuf h ASP 177 N 0.00 -0.45 -0.31 -3.49 3.58 -0.66 -1.61 116.42 113.49 2iuf h ASP 177 Ca -0.01 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2iuf h ASP 177 Cb 1.06 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2iuf h ASP 177 CO 0.07 -0.24 0.18 0.15 -2.88 0.00 0.00 179.24 176.53 2iuf h PHE 178 N -0.31 0.41 -0.77 0.28 3.57 -0.98 -0.35 116.94 118.79 2iuf h PHE 178 Ca 0.03 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2iuf h PHE 178 Cb 0.34 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2iuf h PHE 178 CO -0.17 0.31 0.48 0.74 -2.23 0.00 0.00 178.31 177.44 2iuf h PHE 179 N 0.39 0.91 0.00 0.41 0.04 -1.08 0.41 116.94 118.01 2iuf h PHE 179 Ca 0.11 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.78 2iuf h PHE 179 Cb 0.03 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 2iuf h PHE 179 CO -0.04 0.51 -0.61 0.66 -0.60 0.00 0.00 178.31 178.23 2iuf h SER 180 N 0.94 0.00 1.80 2.17 4.64 -1.12 -3.08 113.55 118.91 2iuf h SER 180 Ca 0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 2iuf h SER 180 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2iuf h SER 180 CO -0.12 0.61 -0.20 1.56 -0.87 0.00 0.00 176.83 177.81 2iuf h GLN 181 N 0.00 0.00 -2.50 4.77 1.08 -0.62 -3.40 115.11 114.45 2iuf h GLN 181 Ca -0.01 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 2iuf h GLN 181 Cb 1.32 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.36 2iuf h GLN 181 CO 0.08 0.18 -0.84 0.94 -0.95 0.00 0.00 178.83 178.24 2iuf n GLN 182 N -3.14 0.97 0.00 1.46 -0.06 0.09 -4.99 117.38 111.72 2iuf n GLN 182 Ca 0.03 -3.71 0.05 0.00 -2.00 0.00 0.00 57.00 51.37 2iuf n GLN 182 Cb 0.61 -1.84 0.21 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 2.17 0.02 -0.13 3.69 -0.04 -1.21 -1.63 135.00 137.87 2iuf n PRO 183 Ca 0.26 0.32 0.27 0.00 -0.04 0.00 0.00 63.50 64.31 2iuf n PRO 183 Cb 0.44 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.00 0.42 3.54 4.64 -1.85 -1.36 113.55 118.94 2iuf h SER 184 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 184 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2iuf h SER 184 CO 0.00 0.00 0.00 -0.37 -0.87 0.00 0.00 176.83 175.59 2iuf h VAL 185 N 0.00 0.00 -0.32 0.95 -1.51 -0.65 -3.34 116.25 111.39 2iuf h VAL 185 Ca 0.39 -0.15 -0.07 0.00 -1.23 0.00 0.00 66.70 65.64 2iuf h VAL 185 Cb 1.70 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.68 2iuf h VAL 185 CO -0.00 0.00 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.18 2iuf h LEU 186 N 0.00 0.50 0.30 4.19 3.38 -1.50 -1.25 115.31 120.93 2iuf h LEU 186 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2iuf h LEU 186 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2iuf h LEU 186 CO 0.00 0.64 -0.14 -0.74 0.09 0.00 0.00 178.44 178.28 2iuf h HIS 187 N 0.49 -0.37 -0.95 1.13 2.76 -1.82 -1.89 115.15 114.50 2iuf h HIS 187 Ca 0.09 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2iuf h HIS 187 Cb 0.45 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 2iuf h HIS 187 CO 0.02 -0.05 0.62 1.15 -1.30 0.00 0.00 177.93 178.37 2iuf h THR 188 N -0.70 1.13 -0.56 6.26 2.02 -1.80 -2.33 112.91 116.94 2iuf h THR 188 Ca -0.04 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 66.80 2iuf h THR 188 Cb 0.48 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 2iuf h THR 188 CO 0.07 0.21 0.26 0.25 0.37 0.00 0.00 175.52 176.68 2iuf h LEU 189 N 1.17 0.35 -0.51 2.58 5.85 -1.02 0.10 115.31 123.82 2iuf h LEU 189 Ca 0.39 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.10 2iuf h LEU 189 Cb 0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2iuf h LEU 189 CO -0.13 0.23 0.10 -0.07 -0.34 0.00 0.00 178.44 178.23 2iuf h LEU 190 N 0.49 0.79 -0.42 2.25 4.07 -0.84 -2.90 115.31 118.76 2iuf h LEU 190 Ca 0.26 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 58.02 2iuf h LEU 190 Cb 0.22 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2iuf h LEU 190 CO -0.21 0.84 0.16 -0.50 -1.08 0.00 0.00 178.44 177.65 2iuf h TRP 191 N 0.72 0.29 0.00 1.13 4.06 -0.91 -0.25 115.95 120.98 2iuf h TRP 191 Ca 0.16 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.13 2iuf h TRP 191 Cb 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 2iuf h TRP 191 CO 0.03 0.12 0.00 0.00 -3.56 0.00 0.00 178.44 175.03 2iuf n ALA 192 N -2.35 2.04 0.00 1.49 0.00 -0.03 -3.39 120.51 118.26 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 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.61 0.00 0.33 0.00 0.00 -0.11 -2.58 120.51 118.76 2iuf n ALA 194 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2iuf n ALA 194 Cb 0.26 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.10 103.07 100.08 2iuf h GLY 195 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2iuf h GLY 195 CO 0.00 0.00 -0.02 0.45 0.00 0.00 0.00 176.54 176.97 2iuf h HIS 196 N 0.00 0.00 0.00 5.60 -0.00 -1.82 -1.86 115.15 117.07 2iuf h HIS 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2iuf h HIS 196 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2iuf h HIS 196 CO 0.00 0.02 -0.01 0.78 -0.00 0.00 0.00 177.93 178.71 2iuf h GLY 197 N 1.07 0.00 -5.87 2.45 0.00 -1.41 -3.38 103.07 95.93 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 0.00 0.00 -1.05 0.29 0.00 0.00 0.00 176.54 175.78 2iuf n ILE 198 N -2.34 0.52 -1.87 2.60 -5.35 -0.70 -1.64 119.36 110.58 2iuf n ILE 198 Ca 0.05 -4.73 -0.34 0.00 -0.27 0.00 0.00 62.75 57.46 2iuf n ILE 198 Cb 0.44 -0.82 0.04 0.00 -1.74 0.00 0.00 39.64 37.56 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 -2.46 2.85 0.31 6.28 0.04 -1.23 -0.86 135.00 139.94 2iuf s PRO 199 Ca 0.41 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2iuf s PRO 199 Cb 0.30 -1.94 0.51 0.00 0.04 0.00 0.00 34.50 33.41 2iuf s PRO 199 CO -0.09 -1.24 1.77 -0.09 0.04 0.00 0.00 177.00 177.38 2iuf h ARG 200 N 0.40 0.36 -2.55 4.56 9.65 -1.18 -3.43 114.38 122.18 2iuf h ARG 200 Ca -0.48 -0.13 0.11 0.00 -1.10 0.00 0.00 59.98 58.38 2iuf h ARG 200 Cb 1.27 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 29.72 2iuf h ARG 200 CO 0.54 0.60 0.40 -1.54 2.80 0.00 0.00 179.97 182.77 2iuf s SER 201 N -6.84 -0.30 0.27 -3.80 1.04 -1.26 -5.01 113.70 97.80 2iuf s SER 201 Ca -0.06 -0.29 0.25 0.00 0.48 0.00 0.00 55.95 56.33 2iuf s SER 201 Cb 0.14 0.53 0.94 0.00 0.10 0.00 0.00 66.02 67.73 2iuf s SER 201 CO 0.77 -0.93 1.75 -0.26 0.98 0.00 0.00 173.24 175.55 2iuf h PHE 202 N 2.00 0.00 0.00 5.02 0.04 -1.98 -2.63 116.94 119.40 2iuf h PHE 202 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 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 0.34 0.00 -0.07 0.54 -0.60 0.00 0.00 178.31 178.52 2iuf n ARG 203 N -2.32 0.08 -1.45 1.51 1.74 -1.26 -3.81 116.66 111.16 2iuf n ARG 203 Ca 0.03 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.01 2iuf n ARG 203 Cb 0.30 -1.59 0.10 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.73 1.96 -4.27 -1.55 8.25 -0.99 -4.40 115.22 112.49 2iuf n HIS 204 Ca 0.06 -2.06 -0.15 0.00 -0.26 0.00 0.00 57.72 55.31 2iuf n HIS 204 Cb 0.37 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 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 -4.11 1.07 0.51 1.59 -7.23 -1.25 -2.53 120.40 108.45 2iuf s VAL 205 Ca 0.49 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2iuf s VAL 205 Cb 0.41 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 35.35 2iuf s VAL 205 CO 0.00 -0.58 0.70 0.20 -0.31 0.00 0.00 175.10 175.12 2iuf s ASN 206 N -3.21 5.38 0.28 4.85 0.01 -1.26 -4.34 114.94 116.64 2iuf s ASN 206 Ca 0.21 -0.22 0.09 0.00 -0.71 0.00 0.00 52.86 52.23 2iuf s ASN 206 Cb 0.04 -0.71 -0.05 0.00 0.41 0.00 0.00 41.25 40.94 2iuf s ASN 206 CO 0.03 -1.03 -0.12 -0.83 -1.51 0.00 0.00 177.10 173.64 2iuf s GLY 207 N -4.42 1.84 -0.15 0.66 0.00 -0.34 -4.21 107.32 100.71 2iuf s GLY 207 Ca 0.57 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.29 2iuf s GLY 207 CO 0.37 -1.90 0.37 -1.36 0.00 0.00 0.00 173.10 170.58 2iuf s PHE 208 N -2.78 -0.46 -0.42 1.90 0.08 -0.17 -0.18 117.98 115.95 2iuf s PHE 208 Ca 0.29 1.07 0.26 0.00 0.12 0.00 0.00 56.93 58.67 2iuf s PHE 208 Cb 0.00 0.17 0.98 0.00 -0.57 0.00 0.00 43.02 43.61 2iuf s PHE 208 CO 0.13 -0.25 1.77 0.78 -0.10 0.00 0.00 175.22 177.55 2iuf h GLY 209 N 6.23 0.00 0.00 4.36 0.00 -1.54 -1.74 103.07 110.38 2iuf h GLY 209 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2iuf h GLY 209 CO 0.29 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 176.21 2iuf n VAL 210 N -2.44 0.00 -2.00 4.60 0.31 -1.26 -4.80 118.33 112.74 2iuf n VAL 210 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.03 2iuf n VAL 210 Cb 0.30 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.24 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 3.00 0.06 3.52 3.76 -1.26 -4.88 115.29 119.49 2iuf s HIS 211 Ca 0.00 1.50 -0.31 0.00 -0.15 0.00 0.00 55.06 56.11 2iuf s HIS 211 Cb 0.00 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 30.63 2iuf s HIS 211 CO 0.00 -1.12 1.28 0.99 -0.85 0.00 0.00 174.74 175.03 2iuf s THR 212 N -2.51 3.79 0.46 1.30 2.01 -1.26 -4.54 115.64 114.90 2iuf s THR 212 Ca 0.63 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.95 2iuf s THR 212 Cb -0.16 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2iuf s THR 212 CO 0.39 0.08 0.13 -0.36 -0.69 0.00 0.00 174.62 174.17 2iuf s PHE 213 N 1.27 2.21 -0.08 4.92 0.40 -0.26 -4.15 117.98 122.28 2iuf s PHE 213 Ca 0.61 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2iuf s PHE 213 Cb -0.32 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2iuf s PHE 213 CO 0.29 0.14 0.01 1.03 0.70 0.00 0.00 175.22 177.39 2iuf s ARG 214 N -3.92 2.99 -0.07 0.44 0.52 0.41 -0.84 118.95 118.48 2iuf s ARG 214 Ca 0.28 -0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2iuf s ARG 214 Cb 0.03 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2iuf s ARG 214 CO 0.16 0.70 0.09 -0.51 0.02 0.00 0.00 175.30 175.75 2iuf s LEU 215 N -0.97 4.03 -0.04 2.53 1.43 -0.47 -0.83 118.68 124.36 2iuf s LEU 215 Ca 0.14 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2iuf s LEU 215 Cb -0.11 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2iuf s LEU 215 CO 0.03 0.36 -0.07 -0.69 0.23 0.00 0.00 176.35 176.21 2iuf s VAL 216 N -1.05 0.68 0.65 -1.59 1.01 -0.25 -1.82 120.40 118.02 2iuf s VAL 216 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2iuf s VAL 216 Cb -0.12 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.65 2iuf s VAL 216 CO 0.07 0.25 0.94 0.42 0.00 0.00 0.00 175.10 176.78 2iuf s THR 217 N 0.73 2.52 0.51 3.92 -4.23 -0.38 -0.43 115.64 118.27 2iuf s THR 217 Ca -0.11 -0.34 0.16 0.00 -1.18 0.00 0.00 61.69 60.22 2iuf s THR 217 Cb -0.14 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2iuf s THR 217 CO 0.01 -0.05 2.14 0.44 -0.54 0.00 0.00 174.62 176.62 2iuf h ASP 218 N -0.39 0.03 -0.33 3.99 3.32 -1.90 0.02 116.42 121.16 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 1.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2iuf h ASP 218 CO 0.58 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 2iuf n ASP 219 N -4.53 2.47 0.00 6.45 5.68 -1.26 -4.92 116.55 120.45 2iuf n ASP 219 Ca -0.02 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 2iuf n ASP 219 Cb 0.12 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 2iuf n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iuf n GLY 220 N 0.78 0.72 3.75 6.12 0.00 -0.01 -5.03 105.19 111.52 2iuf n GLY 220 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 4.72 0.23 1.61 1.02 -1.26 -4.61 119.74 121.05 2iuf s LYS 221 Ca 0.00 1.36 0.11 0.00 0.02 0.00 0.00 55.97 57.46 2iuf s LYS 221 Cb 0.00 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2iuf s LYS 221 CO 0.00 0.44 -0.22 0.95 -0.92 0.00 0.00 175.35 175.61 2iuf s THR 222 N -0.80 2.37 0.09 2.17 -4.23 -1.26 -1.25 115.64 112.72 2iuf s THR 222 Ca 0.41 -2.22 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2iuf s THR 222 Cb -0.24 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 2iuf s THR 222 CO 0.29 -0.28 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.43 2iuf s LYS 223 N -3.11 0.85 -0.01 3.99 -0.14 -0.76 -4.70 119.74 115.86 2iuf s LYS 223 Ca 0.25 -1.05 -0.15 0.00 -1.36 0.00 0.00 55.97 53.66 2iuf s LYS 223 Cb -0.06 -0.74 -0.06 0.00 -1.68 0.00 0.00 37.83 35.29 2iuf s LYS 223 CO 0.12 0.15 0.40 -0.51 -0.76 0.00 0.00 175.35 174.75 2iuf s LEU 224 N -2.05 4.46 0.04 3.17 1.43 0.53 -1.36 118.68 124.90 2iuf s LEU 224 Ca 0.02 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 2iuf s LEU 224 Cb -0.07 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2iuf s LEU 224 CO 0.02 0.31 -0.05 0.68 0.23 0.00 0.00 176.35 177.54 2iuf s VAL 225 N -0.96 0.33 -0.17 -1.59 -7.23 -0.02 -0.34 120.40 110.41 2iuf s VAL 225 Ca 0.24 -1.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2iuf s VAL 225 Cb -0.16 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 2iuf s VAL 225 CO 0.13 -0.58 0.05 -0.54 -0.31 0.00 0.00 175.10 173.84 2iuf s LYS 226 N -2.14 3.84 0.06 4.82 -0.14 -1.03 -1.10 119.74 124.05 2iuf s LYS 226 Ca -0.07 -0.36 -0.22 0.00 -1.36 0.00 0.00 55.97 53.95 2iuf s LYS 226 Cb -0.06 -3.14 -0.06 0.00 -1.68 0.00 0.00 37.83 32.89 2iuf s LYS 226 CO -0.02 0.33 0.65 -0.06 -0.76 0.00 0.00 175.35 175.48 2iuf s PHE 227 N 0.20 3.78 0.04 3.18 0.08 -1.26 -1.40 117.98 122.60 2iuf s PHE 227 Ca 0.03 1.36 0.05 0.00 0.12 0.00 0.00 56.93 58.49 2iuf s PHE 227 Cb -0.12 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 2iuf s PHE 227 CO 0.01 0.45 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.42 2iuf s HIS 228 N -0.66 1.32 -0.32 0.36 3.76 0.42 -1.41 115.29 118.76 2iuf s HIS 228 Ca 0.33 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2iuf s HIS 228 Cb -0.20 -0.79 0.08 0.00 1.11 0.00 0.00 32.58 32.78 2iuf s HIS 228 CO 0.21 0.04 0.03 -1.58 -0.85 0.00 0.00 174.74 172.58 2iuf s TRP 229 N -0.80 3.49 -0.42 1.40 0.52 0.75 -0.46 118.94 123.42 2iuf s TRP 229 Ca 0.03 -2.45 -0.22 0.00 0.02 0.00 0.00 56.10 53.49 2iuf s TRP 229 Cb -0.08 -2.53 0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2iuf s TRP 229 CO 0.01 -0.90 0.70 0.15 0.02 0.00 0.00 176.95 176.93 2iuf s LYS 230 N 1.08 3.46 0.31 4.98 -0.14 0.58 -1.20 119.74 128.81 2iuf s LYS 230 Ca 0.01 -0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.21 2iuf s LYS 230 Cb -0.20 -3.90 -0.10 0.00 -1.68 0.00 0.00 37.83 31.95 2iuf s LYS 230 CO -0.05 -0.96 1.20 0.20 -0.76 0.00 0.00 175.35 174.98 2iuf s GLY 231 N 1.98 3.02 0.00 -3.33 0.00 -1.26 -0.76 107.32 106.97 2iuf s GLY 231 Ca 0.26 1.07 0.22 0.00 0.00 0.00 0.00 44.72 46.27 2iuf s GLY 231 CO 0.19 1.69 1.46 1.04 0.00 0.00 0.00 173.10 177.48 2iuf n LEU 232 N 0.93 3.33 -0.12 0.66 4.77 -0.35 -4.30 117.00 121.92 2iuf n LEU 232 Ca -0.00 -1.55 -0.25 0.00 -0.03 0.00 0.00 56.01 54.18 2iuf n LEU 232 Cb 0.43 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 2iuf n LEU 232 CO 0.56 0.78 -1.21 0.00 -1.33 0.00 0.00 177.39 176.19 2iuf n GLN 233 N 1.35 0.62 0.00 3.23 3.00 -1.26 -4.41 117.38 119.91 2iuf n GLN 233 Ca 0.20 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2iuf n GLN 233 Cb 0.56 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.23 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 1.60 3.66 3.76 1.08 0.00 -1.26 -0.97 105.19 113.05 2iuf n GLY 234 Ca -0.47 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.45 4.15 -0.16 1.61 1.02 -1.26 -4.37 119.74 116.28 2iuf s LYS 235 Ca 0.00 2.53 -0.10 0.00 0.02 0.00 0.00 55.97 58.42 2iuf s LYS 235 Cb 0.00 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.34 2iuf s LYS 235 CO 0.00 -0.57 0.39 0.00 -0.92 0.00 0.00 175.35 174.25 2iuf s ALA 236 N -0.24 -0.98 0.07 5.17 0.00 -1.05 -4.82 121.76 119.92 2iuf s ALA 236 Ca 0.60 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.90 2iuf s ALA 236 Cb -0.47 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2iuf s ALA 236 CO 0.50 -0.24 0.02 -1.12 0.00 0.00 0.00 175.76 174.92 2iuf s SER 237 N 1.03 0.40 0.66 0.00 0.01 -1.26 -0.64 113.70 113.90 2iuf s SER 237 Ca -0.07 -1.00 -0.04 0.00 1.31 0.00 0.00 55.95 56.16 2iuf s SER 237 Cb -0.07 0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.46 2iuf s SER 237 CO -0.08 -0.65 0.94 -0.36 0.41 0.00 0.00 173.24 173.50 2iuf s PHE 238 N -3.94 2.72 0.22 2.43 0.08 -0.03 -4.78 117.98 114.67 2iuf s PHE 238 Ca 0.10 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.38 2iuf s PHE 238 Cb 0.07 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 2iuf s PHE 238 CO -0.08 -1.30 0.39 0.14 -0.10 0.00 0.00 175.22 174.27 2iuf s VAL 239 N -3.09 5.23 0.20 -0.44 -7.23 -1.26 -4.86 120.40 108.94 2iuf s VAL 239 Ca 0.60 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2iuf s VAL 239 Cb -0.10 -3.79 0.11 0.00 0.56 0.00 0.00 36.38 33.17 2iuf s VAL 239 CO 0.43 -0.26 1.80 -0.25 -0.31 0.00 0.00 175.10 176.51 2iuf h TRP 240 N 1.63 0.60 0.00 2.82 -0.00 -1.97 -1.41 115.95 117.62 2iuf h TRP 240 Ca -0.49 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.38 2iuf h TRP 240 Cb 1.21 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.18 2iuf h TRP 240 CO 0.52 0.30 -0.18 1.05 -0.00 0.00 0.00 178.44 180.12 2iuf h GLU 241 N 0.62 0.00 -0.03 2.65 9.09 -1.99 -0.20 114.58 124.72 2iuf h GLU 241 Ca 0.26 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.44 2iuf h GLU 241 Cb 0.15 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.25 2iuf h GLU 241 CO -0.16 0.18 -0.93 1.49 0.05 0.00 0.00 179.01 179.64 2iuf h GLU 242 N 0.00 0.54 -0.60 1.06 4.81 -1.69 -2.23 114.58 116.47 2iuf h GLU 242 Ca -0.00 -0.55 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 2iuf h GLU 242 Cb 0.44 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2iuf h GLU 242 CO 0.02 1.17 -0.02 0.00 -0.73 0.00 0.00 179.01 179.46 2iuf h ALA 243 N 0.64 0.81 -0.01 2.92 0.00 -0.51 -1.39 119.26 121.72 2iuf h ALA 243 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2iuf h ALA 243 Cb 1.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2iuf h ALA 243 CO 0.17 0.66 0.01 1.96 0.00 0.00 0.00 179.25 182.05 2iuf h GLN 244 N 0.96 0.02 -0.49 0.00 4.20 -1.11 -0.40 115.11 118.28 2iuf h GLN 244 Ca 0.17 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 2iuf h GLN 244 Cb 0.58 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2iuf h GLN 244 CO 0.03 0.02 0.15 0.37 -0.67 0.00 0.00 178.83 178.73 2iuf h GLN 245 N 0.01 0.73 -0.59 1.46 4.15 -1.21 -1.79 115.11 117.87 2iuf h GLN 245 Ca 0.00 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 2iuf h GLN 245 Cb 0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2iuf h GLN 245 CO -0.00 0.64 0.08 1.15 -1.93 0.00 0.00 178.83 178.77 2iuf h THR 246 N 0.71 1.25 -0.54 2.39 2.02 -0.89 -1.73 112.91 116.13 2iuf h THR 246 Ca 0.16 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.37 2iuf h THR 246 Cb 0.22 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2iuf h THR 246 CO -0.01 0.37 0.36 0.00 0.37 0.00 0.00 175.52 176.60 2iuf h ALA 247 N 1.17 1.70 0.06 6.16 0.00 -0.21 0.18 119.26 128.32 2iuf h ALA 247 Ca 0.18 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 2iuf h ALA 247 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2iuf h ALA 247 CO 0.01 0.25 -1.09 0.78 0.00 0.00 0.00 179.25 179.20 2iuf h GLY 248 N 0.65 0.19 0.64 0.00 0.00 -1.04 -3.31 103.07 100.19 2iuf h GLY 248 Ca 0.21 -0.44 -0.34 0.00 0.00 0.00 0.00 47.33 46.75 2iuf h GLY 248 CO -0.05 0.39 -1.97 0.28 0.00 0.00 0.00 176.54 175.19 2iuf n LYS 249 N -3.49 0.71 -3.32 4.80 4.76 -0.69 -4.82 118.16 116.10 2iuf n LYS 249 Ca -0.05 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.52 2iuf n LYS 249 Cb 0.95 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 32.38 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 -6.60 0.47 0.62 4.39 3.84 0.60 -5.00 114.94 113.26 2iuf s ASN 250 Ca -0.17 -1.39 0.32 0.00 0.21 0.00 0.00 52.86 51.83 2iuf s ASN 250 Cb 0.07 0.92 1.80 0.00 -0.55 0.00 0.00 41.25 43.49 2iuf s ASN 250 CO 0.78 -0.23 2.10 0.00 -2.79 0.00 0.00 177.10 176.95 2iuf h ALA 251 N 7.03 1.55 -0.64 1.71 0.00 -1.67 -1.95 119.26 125.29 2iuf h ALA 251 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2iuf h ALA 251 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2iuf h ALA 251 CO 0.17 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.90 2iuf n ASP 252 N -3.43 4.57 -0.08 0.00 8.00 -1.26 -0.84 116.55 123.50 2iuf n ASP 252 Ca 0.00 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.10 2iuf n ASP 252 Cb 0.31 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 1.13 0.00 0.00 1.24 7.35 -0.73 -0.29 117.46 126.15 2iuf n PHE 253 Ca 0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2iuf n PHE 253 Cb 0.85 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.68 2iuf n PHE 253 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2iuf n ARG 255 N -0.20 0.00 -0.15 -4.13 1.85 -1.26 -1.37 116.66 111.41 2iuf n ARG 255 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2iuf n ARG 255 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2iuf n ARG 255 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2iuf h GLN 256 N 0.00 0.82 -0.69 2.89 4.15 -1.07 -2.34 115.11 118.88 2iuf h GLN 256 Ca 0.00 -0.31 0.09 0.00 0.77 0.00 0.00 58.65 59.21 2iuf h GLN 256 Cb 0.00 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.57 2iuf h GLN 256 CO 0.00 0.93 0.32 0.22 -1.93 0.00 0.00 178.83 178.37 2iuf h ASP 257 N 0.65 0.41 -0.20 -0.69 1.82 -1.45 0.52 116.42 117.48 2iuf h ASP 257 Ca 0.11 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.75 2iuf h ASP 257 Cb 0.61 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 2iuf h ASP 257 CO 0.04 0.23 -0.13 0.25 -1.61 0.00 0.00 179.24 178.02 2iuf h LEU 258 N 0.55 0.46 0.10 2.28 5.85 -1.80 -1.23 115.31 121.51 2iuf h LEU 258 Ca 0.34 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2iuf h LEU 258 Cb 0.38 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2iuf h LEU 258 CO -0.28 0.80 -0.06 0.15 -0.34 0.00 0.00 178.44 178.71 2iuf h PHE 259 N 0.12 -0.14 -0.57 1.25 3.57 -1.24 -1.87 116.94 118.05 2iuf h PHE 259 Ca 0.04 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2iuf h PHE 259 Cb 0.64 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2iuf h PHE 259 CO 0.07 -0.09 0.08 1.96 -2.23 0.00 0.00 178.31 178.10 2iuf h GLN 260 N -0.15 0.93 -0.57 1.11 4.20 -0.87 -1.09 115.11 118.67 2iuf h GLN 260 Ca -0.01 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2iuf h GLN 260 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2iuf h GLN 260 CO 0.01 0.87 0.14 0.66 -0.67 0.00 0.00 178.83 179.84 2iuf h SER 261 N 0.88 0.87 -0.32 1.46 4.64 -1.01 -0.25 113.55 119.83 2iuf h SER 261 Ca 0.18 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2iuf h SER 261 Cb 0.41 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2iuf h SER 261 CO 0.01 0.88 -0.02 0.40 -0.87 0.00 0.00 176.83 177.24 2iuf h ILE 262 N 0.83 1.26 -0.58 0.95 2.04 -1.12 0.00 117.51 120.89 2iuf h ILE 262 Ca 0.18 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.13 2iuf h ILE 262 Cb 0.35 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2iuf h ILE 262 CO 0.00 0.32 0.39 1.56 0.00 0.00 0.00 178.15 180.42 2iuf h GLN 263 N 0.37 0.47 -0.00 2.37 1.08 -0.89 -1.74 115.11 116.77 2iuf h GLN 263 Ca 0.09 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2iuf h GLN 263 Cb 0.47 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2iuf h GLN 263 CO 0.02 0.31 -0.02 0.00 -0.95 0.00 0.00 178.83 178.19 2iuf n ALA 264 N -2.50 2.56 -0.95 3.87 0.00 -0.13 -4.92 120.51 118.44 2iuf n ALA 264 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2iuf n ALA 264 Cb 0.30 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.24 0.51 3.11 0.00 0.00 -0.65 -4.96 105.19 104.45 2iuf n GLY 265 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.95 3.63 -2.64 1.61 1.74 -0.05 -4.99 116.66 113.01 2iuf n ARG 266 Ca 0.00 -3.82 -0.43 0.00 -0.77 0.00 0.00 57.85 52.83 2iuf n ARG 266 Cb 0.00 -2.89 -0.02 0.00 -1.02 0.00 0.00 32.46 28.53 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 0.29 3.29 0.47 -1.55 0.08 -1.26 -4.34 117.98 114.97 2iuf s PHE 267 Ca 0.39 1.42 -0.21 0.00 0.12 0.00 0.00 56.93 58.66 2iuf s PHE 267 Cb 0.04 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.10 2iuf s PHE 267 CO 0.01 -0.59 1.03 -1.25 -0.10 0.00 0.00 175.22 174.31 2iuf s PRO 268 N 3.24 3.87 0.07 0.24 0.04 -1.24 -4.83 135.00 136.40 2iuf s PRO 268 Ca 0.45 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2iuf s PRO 268 Cb -0.16 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2iuf s PRO 268 CO 0.07 -0.37 -0.11 -1.21 0.04 0.00 0.00 177.00 175.42 2iuf s GLU 269 N -3.19 0.74 0.01 4.56 2.02 -1.26 -1.56 118.70 120.02 2iuf s GLU 269 Ca 0.66 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.69 2iuf s GLU 269 Cb -0.16 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 2iuf s GLU 269 CO 0.19 0.11 -0.01 -1.58 0.02 0.00 0.00 175.26 173.99 2iuf s TRP 270 N -1.70 0.13 -0.17 1.61 0.51 -0.43 -1.21 118.94 117.68 2iuf s TRP 270 Ca -0.02 -0.26 -0.13 0.00 -2.12 0.00 0.00 56.10 53.57 2iuf s TRP 270 Cb -0.08 -0.09 -0.05 0.00 -0.81 0.00 0.00 33.47 32.44 2iuf s TRP 270 CO 0.01 -0.10 0.28 -1.21 -0.51 0.00 0.00 176.95 175.42 2iuf s GLU 271 N -0.75 4.23 -0.01 4.98 2.02 0.06 -0.26 118.70 128.97 2iuf s GLU 271 Ca -0.08 0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 2iuf s GLU 271 Cb -0.05 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 2iuf s GLU 271 CO -0.00 0.20 1.16 -1.17 0.02 0.00 0.00 175.26 175.47 2iuf s LEU 272 N 0.59 4.32 0.10 1.80 2.96 0.02 -0.31 118.68 128.17 2iuf s LEU 272 Ca 0.15 1.85 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 2iuf s LEU 272 Cb -0.13 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2iuf s LEU 272 CO 0.04 -0.49 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.66 2iuf s GLY 273 N 1.25 0.83 -0.03 7.98 0.00 0.39 0.31 107.32 118.06 2iuf s GLY 273 Ca 0.56 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2iuf s GLY 273 CO 0.25 -1.35 -0.12 -1.34 0.00 0.00 0.00 173.10 170.55 2iuf s VAL 274 N -2.90 0.99 -0.50 1.40 -7.23 0.03 -0.44 120.40 111.75 2iuf s VAL 274 Ca 0.08 -0.48 -0.26 0.00 -1.81 0.00 0.00 61.98 59.51 2iuf s VAL 274 Cb 0.00 -0.86 0.03 0.00 0.56 0.00 0.00 36.38 36.11 2iuf s VAL 274 CO -0.01 0.30 0.97 -1.10 -0.31 0.00 0.00 175.10 174.94 2iuf s GLN 275 N 0.07 3.48 -0.22 4.82 -0.21 -0.49 -0.27 119.66 126.85 2iuf s GLN 275 Ca -0.02 0.07 -0.20 0.00 0.02 0.00 0.00 55.36 55.24 2iuf s GLN 275 Cb -0.09 -3.97 -0.03 0.00 1.00 0.00 0.00 33.01 29.93 2iuf s GLN 275 CO 0.01 -1.35 0.58 0.42 -2.12 0.00 0.00 175.29 172.83 2iuf s ILE 276 N 3.97 5.04 0.16 1.08 1.01 -1.26 -2.48 121.20 128.73 2iuf s ILE 276 Ca 0.36 1.07 0.02 0.00 0.00 0.00 0.00 60.65 62.11 2iuf s ILE 276 Cb -0.10 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2iuf s ILE 276 CO 0.25 0.11 -0.01 -0.04 0.00 0.00 0.00 174.94 175.25 2iuf s MET 277 N 1.99 1.08 0.26 2.79 -1.94 0.53 -4.96 119.30 119.04 2iuf s MET 277 Ca 0.26 -1.51 0.01 0.00 -1.71 0.00 0.00 55.69 52.74 2iuf s MET 277 Cb -0.16 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.39 2iuf s MET 277 CO 0.10 -0.11 0.43 -0.65 -0.01 0.00 0.00 175.02 174.78 2iuf s GLN 278 N -3.90 3.49 0.46 2.03 -1.52 -1.26 -0.35 119.66 118.61 2iuf s GLN 278 Ca 0.22 -0.45 0.22 0.00 -1.95 0.00 0.00 55.36 53.40 2iuf s GLN 278 Cb 0.06 -2.79 1.22 0.00 -0.22 0.00 0.00 33.01 31.27 2iuf s GLN 278 CO 0.03 0.32 1.90 0.93 -0.25 0.00 0.00 175.29 178.22 2iuf h GLU 279 N 1.36 0.24 0.00 2.91 4.39 -1.93 -0.01 114.58 121.54 2iuf h GLU 279 Ca -0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2iuf h GLU 279 Cb 1.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2iuf h GLU 279 CO 0.64 0.16 0.00 1.04 -1.16 0.00 0.00 179.01 179.69 2iuf n GLN 280 N -4.43 0.90 -0.21 2.33 3.00 -1.26 -3.60 117.38 114.11 2iuf n GLN 280 Ca 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.24 2iuf n GLN 280 Cb 0.72 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.69 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 -1.02 2.41 0.06 1.08 8.00 -0.02 -4.57 116.55 122.50 2iuf n ASP 281 Ca 0.22 -1.95 0.02 0.00 0.71 0.00 0.00 54.79 53.79 2iuf n ASP 281 Cb 0.11 -0.27 0.38 0.00 -0.02 0.00 0.00 41.12 41.32 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 2.74 0.38 0.00 -1.24 4.20 -1.76 -3.27 115.11 116.16 2iuf h GLN 282 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2iuf h GLN 282 Cb 0.62 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2iuf h GLN 282 CO 0.00 0.40 -0.58 1.28 -0.67 0.00 0.00 178.83 179.26 2iuf n LEU 283 N -4.34 0.00 0.21 1.46 4.77 -1.26 -0.92 117.00 116.92 2iuf n LEU 283 Ca 0.01 -0.21 0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2iuf n LEU 283 Cb 0.20 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.11 2iuf n LEU 283 CO 0.37 0.00 1.14 0.07 -1.33 0.00 0.00 177.39 177.64 2iuf h LYS 284 N 0.00 0.00 -0.00 3.23 2.10 -1.80 -1.96 116.57 118.14 2iuf h LYS 284 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2iuf h LYS 284 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2iuf h LYS 284 CO 0.00 0.00 -0.01 1.19 -2.00 0.00 0.00 179.45 178.63 2iuf n PHE 285 N -3.92 0.00 -0.10 0.07 3.72 -1.26 -4.89 117.46 111.08 2iuf n PHE 285 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2iuf n PHE 285 Cb 0.28 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.29 0.72 3.39 1.37 0.00 -0.73 -5.05 105.19 106.18 2iuf n GLY 286 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.12 0.30 -0.16 1.61 -0.12 -1.25 -5.09 117.98 111.16 2iuf s PHE 287 Ca 0.00 -0.66 -0.16 0.00 -0.05 0.00 0.00 56.93 56.06 2iuf s PHE 287 Cb 0.00 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2iuf s PHE 287 CO 0.00 -0.78 0.39 0.34 -0.05 0.00 0.00 175.22 175.12 2iuf s ASP 288 N -2.96 6.53 0.47 1.98 -1.08 -1.26 -4.30 116.67 116.05 2iuf s ASP 288 Ca 0.16 0.62 0.32 0.00 -0.52 0.00 0.00 52.55 53.14 2iuf s ASP 288 Cb 0.02 -2.24 1.61 0.00 -1.46 0.00 0.00 42.92 40.86 2iuf s ASP 288 CO 0.00 0.01 1.98 -0.07 0.52 0.00 0.00 175.17 177.61 2iuf h LEU 289 N 6.98 0.00 -0.19 -1.34 3.38 -1.32 -0.77 115.31 122.04 2iuf h LEU 289 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 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 0.75 0.00 -0.07 0.18 0.09 0.00 0.00 178.44 179.39 2iuf n LEU 290 N -2.69 0.37 -4.49 1.67 4.77 -1.26 -4.23 117.00 111.13 2iuf n LEU 290 Ca -0.01 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 2iuf n LEU 290 Cb 0.13 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2iuf n LEU 290 CO 0.18 0.07 0.28 -0.62 -1.33 0.00 0.00 177.39 175.97 2iuf s ASP 291 N -2.40 6.25 0.00 -1.43 -1.08 -0.30 -4.26 116.67 113.45 2iuf s ASP 291 Ca 0.32 -0.61 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 2iuf s ASP 291 Cb 0.20 -2.28 1.07 0.00 -1.46 0.00 0.00 42.92 40.45 2iuf s ASP 291 CO 0.45 -0.75 1.51 -0.81 0.52 0.00 0.00 175.17 176.09 2iuf n PRO 292 N 6.03 0.70 -0.08 4.34 -0.04 -1.26 -2.40 135.00 142.29 2iuf n PRO 292 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2iuf n PRO 292 Cb 0.47 -1.40 0.36 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.90 0.20 -4.94 0.52 -2.24 -1.26 -1.02 114.28 104.64 2iuf n THR 293 Ca 0.13 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 2iuf n THR 293 Cb 0.06 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.80 2.85 0.38 -0.78 -0.14 -1.01 -4.84 119.74 114.41 2iuf s LYS 294 Ca 0.34 -0.74 -0.05 0.00 -1.36 0.00 0.00 55.97 54.16 2iuf s LYS 294 Cb 0.19 -2.42 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 2iuf s LYS 294 CO 0.29 0.41 0.67 0.96 -0.76 0.00 0.00 175.35 176.92 2iuf s ILE 295 N -0.19 4.95 -0.41 2.17 -4.36 -1.26 -4.88 121.20 117.22 2iuf s ILE 295 Ca -0.01 0.13 -0.15 0.00 -0.26 0.00 0.00 60.65 60.37 2iuf s ILE 295 Cb -0.13 -3.80 0.03 0.00 1.25 0.00 0.00 42.46 39.81 2iuf s ILE 295 CO 0.03 -0.57 0.30 -0.69 0.24 0.00 0.00 174.94 174.25 2iuf s VAL 296 N -2.39 5.17 0.45 8.37 1.01 -1.26 -5.07 120.40 126.68 2iuf s VAL 296 Ca 0.46 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2iuf s VAL 296 Cb -0.10 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2iuf s VAL 296 CO 0.36 -0.34 1.35 -2.65 0.00 0.00 0.00 175.10 173.82 2iuf n PRO 297 N 5.15 2.04 0.26 2.72 -0.02 -1.26 -4.82 135.00 139.07 2iuf n PRO 297 Ca -0.11 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.27 2iuf n PRO 297 Cb 0.46 -2.51 0.72 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.10 0.00 0.00 -0.52 5.08 -1.96 -0.51 114.58 118.76 2iuf h GLU 298 Ca -0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2iuf h GLU 298 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2iuf h GLU 298 CO 0.60 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.52 2iuf h GLU 299 N 0.00 0.00 0.09 2.33 3.07 -1.97 -3.14 114.58 114.96 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 0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 2iuf h GLU 299 CO 0.00 0.02 -1.94 1.28 -1.40 0.00 0.00 179.01 176.97 2iuf n LEU 300 N -3.90 2.52 -3.62 1.33 4.77 -0.24 -4.88 117.00 112.99 2iuf n LEU 300 Ca -0.03 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 2iuf n LEU 300 Cb 0.11 -1.07 -0.16 0.00 -2.33 0.00 0.00 43.42 39.97 2iuf n LEU 300 CO 0.29 0.76 -0.26 -0.69 -1.33 0.00 0.00 177.39 176.15 2iuf s VAL 301 N -2.52 -0.22 0.72 4.08 1.01 -0.97 -5.07 120.40 117.43 2iuf s VAL 301 Ca -0.25 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2iuf s VAL 301 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.07 2iuf s VAL 301 CO 0.72 -0.00 1.07 -2.16 0.00 0.00 0.00 175.10 174.73 2iuf s PRO 302 N 2.25 2.67 -0.31 2.72 0.04 -1.22 -4.26 135.00 136.89 2iuf s PRO 302 Ca 0.04 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 2iuf s PRO 302 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2iuf s PRO 302 CO -0.07 -1.32 0.82 0.08 0.04 0.00 0.00 177.00 176.55 2iuf s VAL 303 N -2.94 4.75 -0.21 -0.36 1.01 -1.26 -4.27 120.40 117.12 2iuf s VAL 303 Ca 0.60 1.22 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 2iuf s VAL 303 Cb -0.16 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2iuf s VAL 303 CO 0.54 -0.29 0.68 -0.89 0.00 0.00 0.00 175.10 175.14 2iuf s THR 304 N 3.05 4.97 -0.12 3.92 2.01 0.63 -4.88 115.64 125.22 2iuf s THR 304 Ca 0.34 1.29 -0.21 0.00 0.31 0.00 0.00 61.69 63.41 2iuf s THR 304 Cb -0.14 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2iuf s THR 304 CO 0.13 0.06 0.63 -0.63 -0.69 0.00 0.00 174.62 174.12 2iuf s ILE 305 N 2.18 5.07 -0.20 1.82 -1.09 -1.26 -0.79 121.20 126.93 2iuf s ILE 305 Ca 0.30 1.25 0.09 0.00 -2.23 0.00 0.00 60.65 60.06 2iuf s ILE 305 Cb -0.16 -3.96 -0.22 0.00 -1.58 0.00 0.00 42.46 36.54 2iuf s ILE 305 CO 0.10 0.23 0.05 0.18 -1.23 0.00 0.00 174.94 174.27 2iuf n LEU 306 N 4.11 1.49 0.00 2.97 4.77 0.15 -4.93 117.00 125.56 2iuf n LEU 306 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2iuf n LEU 306 Cb 0.51 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2iuf n LEU 306 CO 0.45 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2iuf n GLY 307 N 1.95 -1.35 2.94 -0.72 0.00 -1.18 -0.78 105.19 106.06 2iuf n GLY 307 Ca -0.36 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.84 0.62 -0.16 1.61 2.20 -0.33 -0.80 119.74 122.05 2iuf s LYS 308 Ca 0.00 -0.18 -0.09 0.00 -0.36 0.00 0.00 55.97 55.34 2iuf s LYS 308 Cb 0.00 -0.62 -0.05 0.00 -1.51 0.00 0.00 37.83 35.66 2iuf s LYS 308 CO 0.00 0.06 0.16 1.41 -0.36 0.00 0.00 175.35 176.61 2iuf s MET 309 N 0.25 3.88 -0.10 4.03 -2.45 0.64 -0.86 119.30 124.69 2iuf s MET 309 Ca -0.03 -0.14 0.03 0.00 -1.25 0.00 0.00 55.69 54.31 2iuf s MET 309 Cb -0.07 -3.32 0.01 0.00 1.25 0.00 0.00 34.83 32.70 2iuf s MET 309 CO -0.00 0.51 -0.19 -1.14 1.05 0.00 0.00 175.02 175.24 2iuf s GLN 310 N -0.25 2.57 -0.21 4.11 0.74 -0.21 -1.31 119.66 125.09 2iuf s GLN 310 Ca 0.12 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 54.66 2iuf s GLN 310 Cb -0.12 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.94 2iuf s GLN 310 CO 0.01 0.09 0.43 -0.51 -0.55 0.00 0.00 175.29 174.76 2iuf s LEU 311 N 0.56 4.13 0.00 3.68 1.43 -0.60 -0.85 118.68 127.03 2iuf s LEU 311 Ca -0.15 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2iuf s LEU 311 Cb -0.17 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2iuf s LEU 311 CO 0.05 -0.13 0.56 -0.46 0.23 0.00 0.00 176.35 176.61 2iuf n ASN 312 N 4.72 0.00 -3.66 2.29 0.23 -0.08 -3.59 115.26 115.18 2iuf n ASN 312 Ca -0.07 -1.29 -0.08 0.00 -0.53 0.00 0.00 54.58 52.61 2iuf n ASN 312 Cb 0.51 -0.06 -0.08 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.58 0.53 -3.83 3.52 -1.00 -5.00 118.95 113.76 2iuf s ARG 313 Ca 0.00 1.09 -0.15 0.00 -0.13 0.00 0.00 55.73 56.54 2iuf s ARG 313 Cb 0.00 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 2iuf s ARG 313 CO 0.00 -0.16 0.99 -0.80 -0.81 0.00 0.00 175.30 174.52 2iuf s ASN 314 N 1.66 6.54 0.00 -2.12 0.01 -1.26 -0.54 114.94 119.23 2iuf s ASN 314 Ca -0.09 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 2iuf s ASN 314 Cb -0.07 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2iuf s ASN 314 CO -0.17 -0.64 0.00 -2.65 -1.51 0.00 0.00 177.10 172.13 2iuf n PRO 315 N -1.81 1.91 -1.54 -0.60 -0.02 -1.26 -4.85 135.00 126.84 2iuf n PRO 315 Ca 0.06 0.00 -0.55 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 33.94 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 2.07 -0.06 2.55 2.85 -1.26 -5.15 115.26 116.26 2iuf n ASN 317 Ca 0.00 0.75 -0.09 0.00 -0.11 0.00 0.00 54.58 55.13 2iuf n ASN 317 Cb 0.00 -1.16 -0.02 0.00 1.24 0.00 0.00 39.78 39.84 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 9.56 0.24 0.39 1.20 5.03 -2.01 -2.09 116.97 129.30 2iuf h TYR 318 Ca -0.34 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 60.97 2iuf h TYR 318 Cb 1.33 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.53 2iuf h TYR 318 CO 0.88 0.14 -0.24 0.35 -1.32 0.00 0.00 178.16 177.97 2iuf h PHE 319 N 0.27 -0.64 -0.80 -3.82 3.57 -1.98 0.33 116.94 113.87 2iuf h PHE 319 Ca 0.10 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2iuf h PHE 319 Cb 0.01 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2iuf h PHE 319 CO -0.09 -0.38 0.53 0.00 -2.23 0.00 0.00 178.31 176.14 2iuf h ALA 320 N -0.04 1.56 0.00 2.41 0.00 -1.94 -2.61 119.26 118.64 2iuf h ALA 320 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2iuf h ALA 320 Cb 0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2iuf h ALA 320 CO 0.04 0.35 -0.98 0.39 0.00 0.00 0.00 179.25 179.04 2iuf n GLU 321 N -4.46 0.51 -0.03 0.00 1.02 -0.80 -4.29 120.64 112.57 2iuf n GLU 321 Ca 0.11 0.20 -0.14 0.00 -0.02 0.00 0.00 57.16 57.31 2iuf n GLU 321 Cb 0.15 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.95 1.56 -0.58 2.62 2.02 -0.59 -2.70 112.91 114.28 2iuf h THR 322 Ca -0.01 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.23 2iuf h THR 322 Cb 0.97 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 2iuf h THR 322 CO -0.01 0.50 0.09 -0.08 0.37 0.00 0.00 175.52 176.39 2iuf h GLU 323 N -0.59 0.94 -0.00 6.66 4.57 -0.85 -2.99 114.58 122.32 2iuf h GLU 323 Ca -0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2iuf h GLU 323 Cb 0.90 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2iuf h GLU 323 CO 0.03 0.87 -0.14 1.04 -1.18 0.00 0.00 179.01 179.63 2iuf n GLN 324 N -4.23 0.69 -2.04 1.92 6.02 -1.00 -4.88 117.38 113.85 2iuf n GLN 324 Ca 0.04 -0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 2iuf n GLN 324 Cb 0.27 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.50 2.88 -0.48 5.09 0.11 -1.02 -4.88 120.40 119.60 2iuf s VAL 325 Ca 0.27 0.66 0.03 0.00 -2.93 0.00 0.00 61.98 60.01 2iuf s VAL 325 Cb 0.20 -3.42 0.13 0.00 -1.53 0.00 0.00 36.38 31.76 2iuf s VAL 325 CO 0.49 0.07 0.25 -0.04 -3.33 0.00 0.00 175.10 172.53 2iuf s MET 326 N 0.69 1.64 0.45 1.54 -1.94 -1.26 -5.06 119.30 115.36 2iuf s MET 326 Ca 0.65 -2.32 -0.22 0.00 -1.71 0.00 0.00 55.69 52.10 2iuf s MET 326 Cb -0.41 -2.85 -0.09 0.00 2.01 0.00 0.00 34.83 33.49 2iuf s MET 326 CO 0.34 -1.13 1.04 -0.06 -0.01 0.00 0.00 175.02 175.21 2iuf s PHE 327 N 0.04 3.11 -0.13 -0.03 0.08 -1.26 -5.03 117.98 114.75 2iuf s PHE 327 Ca 0.17 1.60 -0.07 0.00 0.12 0.00 0.00 56.93 58.76 2iuf s PHE 327 Cb -0.25 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.15 2iuf s PHE 327 CO -0.00 -0.75 0.31 -0.65 -0.10 0.00 0.00 175.22 174.03 2iuf s GLN 328 N -2.92 0.28 0.63 0.44 -0.21 -1.26 -4.91 119.66 111.71 2iuf s GLN 328 Ca 0.63 0.63 0.40 0.00 0.02 0.00 0.00 55.36 57.04 2iuf s GLN 328 Cb -0.19 -0.08 2.14 0.00 1.00 0.00 0.00 33.01 35.88 2iuf s GLN 328 CO 0.23 -0.16 2.29 -1.35 -2.12 0.00 0.00 175.29 174.18 2iuf h PRO 329 N 7.17 0.00 0.00 2.91 0.11 -1.90 -1.48 132.00 138.82 2iuf h PRO 329 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2iuf h PRO 329 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2iuf h PRO 329 CO 0.34 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 2iuf n GLY 330 N -0.94 -1.12 3.58 -0.55 0.00 -1.26 -4.19 105.19 100.70 2iuf n GLY 330 Ca -0.02 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.09 2.35 0.22 1.61 3.76 -0.56 -4.92 115.29 114.67 2iuf s HIS 331 Ca 0.07 -0.55 0.12 0.00 -0.15 0.00 0.00 55.06 54.54 2iuf s HIS 331 Cb 0.10 -4.40 -0.05 0.00 1.11 0.00 0.00 32.58 29.34 2iuf s HIS 331 CO 0.32 -1.58 -0.23 -1.50 -0.85 0.00 0.00 174.74 170.91 2iuf s ILE 332 N 7.42 2.39 0.19 0.60 2.07 -1.25 -1.52 121.20 131.09 2iuf s ILE 332 Ca 0.60 -2.16 0.08 0.00 -1.41 0.00 0.00 60.65 57.76 2iuf s ILE 332 Cb 0.01 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.37 2iuf s ILE 332 CO 0.07 -0.21 -0.16 0.68 -1.91 0.00 0.00 174.94 173.42 2iuf s VAL 333 N -1.95 1.74 0.13 4.00 -7.23 -1.26 -4.88 120.40 110.95 2iuf s VAL 333 Ca 0.24 -2.07 -0.35 0.00 -1.81 0.00 0.00 61.98 57.99 2iuf s VAL 333 Cb -0.07 -1.93 -0.16 0.00 0.56 0.00 0.00 36.38 34.78 2iuf s VAL 333 CO 0.12 -0.48 1.26 -1.14 -0.31 0.00 0.00 175.10 174.54 2iuf n ARG 334 N -0.08 1.20 0.00 4.82 0.63 -1.26 -1.98 116.66 119.99 2iuf n ARG 334 Ca -0.10 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 2iuf n ARG 334 Cb 0.59 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.49 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 2.30 0.53 3.13 5.14 0.00 -1.26 -3.34 105.19 111.69 2iuf n GLY 335 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 0.99 0.22 1.61 1.01 -0.84 -1.10 120.40 120.30 2iuf s VAL 336 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 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 -0.13 0.32 -0.62 0.00 0.00 0.00 175.10 174.68 2iuf s ASP 337 N -1.37 0.02 0.71 3.32 2.15 -0.01 -4.72 116.67 116.77 2iuf s ASP 337 Ca -0.01 -1.10 -0.06 0.00 0.43 0.00 0.00 52.55 51.80 2iuf s ASP 337 Cb -0.09 0.49 0.07 0.00 -0.30 0.00 0.00 42.92 43.09 2iuf s ASP 337 CO 0.01 -1.00 1.02 -0.36 -0.17 0.00 0.00 175.17 174.67 2iuf s PHE 338 N -4.07 2.82 0.36 -5.34 0.08 -1.26 -0.44 117.98 110.13 2iuf s PHE 338 Ca 0.28 0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.78 2iuf s PHE 338 Cb 0.03 -3.20 -0.07 0.00 -0.57 0.00 0.00 43.02 39.21 2iuf s PHE 338 CO 0.09 -1.44 0.04 0.95 -0.10 0.00 0.00 175.22 174.76 2iuf s THR 339 N -3.25 1.45 -1.61 0.64 -4.23 -1.26 -4.41 115.64 102.97 2iuf s THR 339 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2iuf s THR 339 Cb -0.10 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2iuf s THR 339 CO 0.45 0.00 0.78 -0.62 -0.54 0.00 0.00 174.62 174.69 2iuf n GLU 340 N -0.80 0.97 -1.55 3.99 4.71 -1.26 -4.57 120.64 122.13 2iuf n GLU 340 Ca -0.04 0.00 -0.51 0.00 -0.01 0.00 0.00 57.16 56.60 2iuf n GLU 340 Cb 0.67 -1.19 -0.06 0.00 -1.01 0.00 0.00 31.44 29.84 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 -0.30 2.50 0.14 1.62 -0.08 -1.26 -4.83 116.55 114.34 2iuf n ASP 341 Ca 0.00 0.66 0.11 0.00 -1.51 0.00 0.00 54.79 54.05 2iuf n ASP 341 Cb 0.09 -1.27 0.52 0.00 2.34 0.00 0.00 41.12 42.80 2iuf n ASP 341 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2iuf n PRO 342 N 7.31 0.17 -0.04 -0.67 -0.02 -1.26 -1.14 135.00 139.34 2iuf n PRO 342 Ca 0.34 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2iuf n PRO 342 Cb 0.23 -1.89 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 2iuf n PRO 342 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2iuf h LEU 343 N 0.00 -0.02 -0.45 2.45 5.85 -1.88 -2.46 115.31 118.80 2iuf h LEU 343 Ca 0.00 -0.71 0.06 0.00 0.84 0.00 0.00 57.88 58.07 2iuf h LEU 343 Cb 0.21 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2iuf h LEU 343 CO 0.00 0.79 0.14 0.25 -0.34 0.00 0.00 178.44 179.28 2iuf h LEU 344 N -0.93 0.13 -0.57 2.25 5.85 -1.78 -2.03 115.31 118.23 2iuf h LEU 344 Ca -0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.89 2iuf h LEU 344 Cb 0.73 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.72 2iuf h LEU 344 CO 0.00 0.10 -0.05 1.56 -0.34 0.00 0.00 178.44 179.72 2iuf h GLN 345 N 0.31 0.07 0.00 1.25 1.08 -1.24 -2.42 115.11 114.16 2iuf h GLN 345 Ca 0.22 -0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.20 2iuf h GLN 345 Cb 0.23 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2iuf h GLN 345 CO -0.24 0.05 -1.00 0.78 -0.95 0.00 0.00 178.83 177.47 2iuf h GLY 346 N 0.07 0.00 -0.05 3.46 0.00 -1.51 -3.10 103.07 101.94 2iuf h GLY 346 Ca 0.29 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.82 2iuf h GLY 346 CO -0.52 0.00 0.47 3.21 0.00 0.00 0.00 176.54 179.70 2iuf h ARG 347 N 0.00 0.52 -0.69 4.80 3.08 -0.90 -2.10 114.38 119.08 2iuf h ARG 347 Ca -0.02 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.12 2iuf h ARG 347 Cb 1.76 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.61 2iuf h ARG 347 CO 0.13 0.34 0.27 -0.07 -1.07 0.00 0.00 179.97 179.57 2iuf h LEU 348 N 0.53 0.27 -0.03 3.04 3.38 -1.38 -1.48 115.31 119.64 2iuf h LEU 348 Ca 0.56 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.62 2iuf h LEU 348 Cb 0.98 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2iuf h LEU 348 CO -0.46 0.14 0.01 0.15 0.09 0.00 0.00 178.44 178.36 2iuf h PHE 349 N 0.45 0.05 -0.45 1.13 3.57 -1.54 -3.32 116.94 116.83 2iuf h PHE 349 Ca 0.36 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.90 2iuf h PHE 349 Cb 0.49 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2iuf h PHE 349 CO -0.16 0.21 0.20 1.03 -2.23 0.00 0.00 178.31 177.36 2iuf h SER 350 N -0.12 0.27 1.44 0.41 0.87 -0.88 -2.65 113.55 112.89 2iuf h SER 350 Ca 0.01 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2iuf h SER 350 Cb 0.18 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2iuf h SER 350 CO -0.00 0.19 -0.00 1.88 -0.53 0.00 0.00 176.83 178.37 2iuf h TYR 351 N 0.40 0.00 0.09 2.24 -1.99 -1.52 0.77 116.97 116.96 2iuf h TYR 351 Ca 0.20 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.77 2iuf h TYR 351 Cb 0.14 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.89 2iuf h TYR 351 CO -0.12 0.00 -0.69 1.25 -0.00 0.00 0.00 178.16 178.61 2iuf h LEU 352 N 0.00 0.45 -0.28 3.88 5.85 -1.61 -3.36 115.31 120.23 2iuf h LEU 352 Ca -0.00 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.81 2iuf h LEU 352 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2iuf h LEU 352 CO 0.00 1.31 0.15 -0.78 -0.34 0.00 0.00 178.44 178.77 2iuf h ASP 353 N -0.34 0.36 0.22 1.25 3.58 -1.25 -3.25 116.42 116.99 2iuf h ASP 353 Ca -0.11 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2iuf h ASP 353 Cb 1.49 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.45 2iuf h ASP 353 CO 0.13 0.36 -0.16 0.00 -2.88 0.00 0.00 179.24 176.69 2iuf h THR 354 N 0.33 0.94 0.00 2.25 1.03 -1.02 -1.24 112.91 115.21 2iuf h THR 354 Ca 0.10 -0.57 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2iuf h THR 354 Cb 0.09 1.32 -0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2iuf h THR 354 CO -0.01 0.15 -0.07 1.56 -0.01 0.00 0.00 175.52 177.14 2iuf h GLN 355 N 0.00 0.00 -0.99 0.00 1.08 -1.70 -1.40 115.11 112.10 2iuf h GLN 355 Ca -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2iuf h GLN 355 Cb 0.31 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 2iuf h GLN 355 CO 0.02 0.07 0.66 -0.07 -0.95 0.00 0.00 178.83 178.55 2iuf h LEU 356 N 0.00 1.14 -0.10 1.46 3.38 -1.38 0.04 115.31 119.85 2iuf h LEU 356 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2iuf h LEU 356 Cb 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2iuf h LEU 356 CO 0.01 0.82 0.02 -1.13 0.09 0.00 0.00 178.44 178.25 2iuf h ASN 357 N 1.34 0.15 -0.07 -0.43 -0.73 -1.38 -0.06 115.58 114.40 2iuf h ASN 357 Ca 0.37 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 2iuf h ASN 357 Cb -0.15 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 2iuf h ASN 357 CO -0.08 0.37 -0.02 0.03 -0.37 0.00 0.00 177.43 177.35 2iuf h ARG 358 N -0.07 0.14 0.00 6.67 3.08 -1.25 -3.27 114.38 119.68 2iuf h ARG 358 Ca 0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2iuf h ARG 358 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2iuf h ARG 358 CO 0.00 0.47 -0.98 1.25 -1.07 0.00 0.00 179.97 179.65 2iuf h HIS 359 N -0.21 0.00 0.00 3.04 2.76 -1.08 -3.40 115.15 116.27 2iuf h HIS 359 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2iuf h HIS 359 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2iuf h HIS 359 CO 0.05 0.46 0.00 0.41 -1.30 0.00 0.00 177.93 177.56 2iuf n GLY 360 N 1.30 0.62 3.95 5.26 0.00 -0.04 -4.96 105.19 111.32 2iuf n GLY 360 Ca -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.95 2iuf n GLY 360 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iuf s GLY 361 N -2.05 -0.16 0.00 -0.02 0.00 -1.20 -5.02 107.32 98.86 2iuf s GLY 361 Ca 0.00 0.12 0.27 0.00 0.00 0.00 0.00 44.72 45.11 2iuf s GLY 361 CO 0.00 5.09 1.69 -1.55 0.00 0.00 0.00 173.10 178.33 2iuf n PRO 362 N -0.86 0.08 -1.18 2.90 -0.04 -1.26 -4.32 135.00 130.32 2iuf n PRO 362 Ca 0.02 -0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2iuf n PRO 362 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.44 5.04 0.24 3.54 3.02 -1.26 -4.60 115.26 119.80 2iuf n ASN 363 Ca 0.07 -3.55 0.10 0.00 -0.03 0.00 0.00 54.58 51.16 2iuf n ASN 363 Cb 0.33 -0.88 0.62 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.27 0.00 0.00 3.10 -5.15 -1.93 -1.41 116.94 112.82 2iuf h PHE 364 Ca 0.58 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.35 2iuf h PHE 364 Cb 2.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.24 2iuf h PHE 364 CO 1.43 0.17 0.00 0.39 -2.00 0.00 0.00 178.31 178.30 2iuf n GLU 365 N -3.84 0.03 0.00 6.09 -0.58 -1.26 -2.37 120.64 118.70 2iuf n GLU 365 Ca -0.02 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.10 2iuf n GLU 365 Cb 0.26 -1.50 0.43 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.47 0.36 -2.04 3.49 6.02 -0.53 -3.29 117.38 119.91 2iuf n GLN 366 Ca 0.04 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 2iuf n GLN 366 Cb 0.15 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.76 4.40 0.24 1.08 1.43 -1.00 -4.78 118.68 117.30 2iuf s LEU 367 Ca 0.19 2.77 -0.07 0.00 -1.03 0.00 0.00 54.13 55.98 2iuf s LEU 367 Cb 0.19 -3.65 0.42 0.00 0.03 0.00 0.00 46.19 43.18 2iuf s LEU 367 CO 0.58 -0.61 1.63 -0.65 0.23 0.00 0.00 176.35 177.52 2iuf h PRO 368 N 3.35 0.09 0.00 1.29 0.11 -1.91 0.98 132.00 135.91 2iuf h PRO 368 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2iuf h PRO 368 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2iuf h PRO 368 CO 0.66 0.06 -0.04 0.97 -0.21 0.00 0.00 178.00 179.43 2iuf h ILE 369 N 0.09 0.16 0.00 4.15 6.09 -1.90 -2.79 117.51 123.30 2iuf h ILE 369 Ca 0.41 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2iuf h ILE 369 Cb 0.71 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.39 2iuf h ILE 369 CO -0.68 0.04 -1.08 0.59 -3.07 0.00 0.00 178.15 173.96 2iuf n ASN 370 N -3.22 0.65 -4.75 2.19 3.02 0.21 -4.93 115.26 108.43 2iuf n ASN 370 Ca -0.01 -0.43 -0.37 0.00 -0.03 0.00 0.00 54.58 53.74 2iuf n ASN 370 Cb 0.25 0.95 0.03 0.00 -0.61 0.00 0.00 39.78 40.40 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 -3.15 3.10 0.76 3.52 0.52 -0.44 -4.85 118.95 118.41 2iuf s ARG 371 Ca 0.04 1.95 -0.12 0.00 -0.52 0.00 0.00 55.73 57.09 2iuf s ARG 371 Cb 0.15 -2.09 0.05 0.00 0.52 0.00 0.00 34.95 33.58 2iuf s ARG 371 CO 0.83 -1.13 1.14 -1.25 0.02 0.00 0.00 175.30 174.90 2iuf s PRO 372 N -3.11 2.37 -0.70 3.54 0.04 -1.26 -4.98 135.00 130.89 2iuf s PRO 372 Ca 0.74 0.26 0.01 0.00 0.04 0.00 0.00 61.00 62.05 2iuf s PRO 372 Cb -0.34 -1.99 0.38 0.00 0.04 0.00 0.00 34.50 32.59 2iuf s PRO 372 CO 0.38 -1.34 1.70 0.54 0.04 0.00 0.00 177.00 178.32 2iuf n ARG 373 N -3.17 3.00 -3.53 4.56 5.12 -1.26 -4.94 116.66 116.44 2iuf n ARG 373 Ca 0.07 -3.87 -0.14 0.00 -1.93 0.00 0.00 57.85 51.98 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 -3.88 -1.48 0.66 7.54 0.00 -1.26 -4.67 121.76 118.67 2iuf s ALA 374 Ca 0.51 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 2iuf s ALA 374 Cb 0.43 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 2iuf s ALA 374 CO -0.33 -0.55 1.21 -2.14 0.00 0.00 0.00 175.76 173.95 2iuf s PRO 375 N -2.57 2.60 -0.14 0.00 0.02 -1.26 -5.03 135.00 128.62 2iuf s PRO 375 Ca -0.05 1.79 0.02 0.00 0.02 0.00 0.00 61.00 62.78 2iuf s PRO 375 Cb -0.01 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2iuf s PRO 375 CO -0.03 -1.49 -0.19 0.42 -0.33 0.00 0.00 177.00 175.39 2iuf s ILE 376 N -1.78 2.34 -0.26 2.83 1.01 -1.26 -5.04 121.20 119.04 2iuf s ILE 376 Ca 0.76 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 2iuf s ILE 376 Cb -0.30 -1.96 0.12 0.00 0.01 0.00 0.00 42.46 40.33 2iuf s ILE 376 CO 0.39 0.53 0.27 -1.00 0.00 0.00 0.00 174.94 175.13 2iuf s HIS 377 N 0.77 -0.39 0.38 3.97 3.76 -1.26 -5.15 115.29 117.37 2iuf s HIS 377 Ca -0.07 -0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 2iuf s HIS 377 Cb -0.16 -0.42 0.04 0.00 1.11 0.00 0.00 32.58 33.15 2iuf s HIS 377 CO -0.00 -0.80 0.69 0.54 -0.85 0.00 0.00 174.74 174.31 2iuf s ASN 378 N 2.35 0.36 -0.03 1.40 2.20 -1.26 -4.92 114.94 115.04 2iuf s ASN 378 Ca 0.09 -1.30 0.20 0.00 -0.94 0.00 0.00 52.86 50.91 2iuf s ASN 378 Cb -0.15 0.80 0.61 0.00 -2.00 0.00 0.00 41.25 40.52 2iuf s ASN 378 CO -0.26 -1.58 1.51 0.59 -2.94 0.00 0.00 177.10 174.43 2iuf n ASN 379 N -1.48 3.82 -4.76 3.54 3.02 -1.26 -4.94 115.26 113.19 2iuf n ASN 379 Ca -0.05 -2.10 -0.38 0.00 -0.03 0.00 0.00 54.58 52.01 2iuf n ASN 379 Cb 0.60 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.96 6.03 0.03 6.41 0.01 -1.26 -4.85 114.94 120.35 2iuf s ASN 380 Ca 0.46 2.50 -0.04 0.00 -0.71 0.00 0.00 52.86 55.07 2iuf s ASN 380 Cb 0.25 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2iuf s ASN 380 CO 0.29 -1.03 0.07 -0.13 -1.51 0.00 0.00 177.10 174.79 2iuf s ARG 381 N -2.59 0.53 5.10 -0.60 1.81 -1.26 -5.08 118.95 116.86 2iuf s ARG 381 Ca 0.63 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 2iuf s ARG 381 Cb -0.34 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.37 2iuf s ARG 381 CO 0.42 -0.12 0.00 -0.25 -0.68 0.00 0.00 175.30 174.66 2iuf n ASP 382 N 0.94 0.00 0.00 0.23 8.00 -1.26 -5.05 116.55 119.41 2iuf n ASP 382 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2iuf n ASP 382 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.44 3.62 0.44 0.00 -1.26 -4.66 105.19 100.90 2iuf n GLY 383 Ca 0.00 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.33 0.35 -2.60 4.61 0.00 -1.26 -2.86 120.51 117.43 2iuf n ALA 384 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2iuf n ALA 384 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 17.35 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 1.17 -0.00 3.61 0.00 0.00 -1.26 -4.29 105.19 104.41 2iuf n GLY 385 Ca 0.10 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.07 3.70 0.08 1.61 2.00 -1.14 -4.81 119.66 116.03 2iuf s GLN 386 Ca 0.14 0.98 0.21 0.00 -2.00 0.00 0.00 55.36 54.69 2iuf s GLN 386 Cb -0.06 -3.96 -0.16 0.00 0.80 0.00 0.00 33.01 29.63 2iuf s GLN 386 CO 0.17 -1.40 0.75 -1.33 -0.50 0.00 0.00 175.29 172.98 2iuf n MET 387 N 7.81 0.63 -2.83 1.67 2.81 -1.26 -4.94 117.12 121.01 2iuf n MET 387 Ca 0.15 0.01 -0.24 0.00 -1.81 0.00 0.00 57.70 55.82 2iuf n MET 387 Cb 0.48 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.31 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 -3.31 3.23 -0.37 2.03 0.08 -1.26 -5.09 117.98 113.29 2iuf s PHE 388 Ca -0.04 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.36 2iuf s PHE 388 Cb 0.11 -2.42 0.11 0.00 -0.57 0.00 0.00 43.02 40.25 2iuf s PHE 388 CO 0.84 -0.48 0.14 0.42 -0.10 0.00 0.00 175.22 176.04 2iuf s ILE 389 N -2.66 1.57 0.13 0.64 1.01 -1.26 -5.06 121.20 115.57 2iuf s ILE 389 Ca 0.50 -2.15 -0.31 0.00 0.00 0.00 0.00 60.65 58.68 2iuf s ILE 389 Cb -0.10 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.13 2iuf s ILE 389 CO 0.40 -0.72 1.53 -2.84 0.00 0.00 0.00 174.94 173.30 2iuf s PRO 390 N 0.90 4.24 0.39 2.79 0.02 -1.26 -4.91 135.00 137.17 2iuf s PRO 390 Ca 0.13 2.27 0.21 0.00 0.02 0.00 0.00 61.00 63.62 2iuf s PRO 390 Cb -0.20 -3.26 0.30 0.00 0.02 0.00 0.00 34.50 31.35 2iuf s PRO 390 CO -0.11 -0.58 1.57 -0.07 -0.33 0.00 0.00 177.00 177.48 2iuf h LEU 391 N 7.13 0.00 -8.85 -5.54 3.38 -2.01 -3.44 115.31 105.98 2iuf h LEU 391 Ca -0.42 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 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 0.90 0.18 0.69 -0.62 0.09 0.00 0.00 178.44 179.69 2iuf s ASP 392 N -6.28 6.74 0.00 -0.43 2.15 -1.26 -4.91 116.67 112.68 2iuf s ASP 392 Ca 0.06 0.69 0.30 0.00 0.43 0.00 0.00 52.55 54.02 2iuf s ASP 392 Cb 0.06 -2.49 1.45 0.00 -0.30 0.00 0.00 42.92 41.64 2iuf s ASP 392 CO 0.69 -0.90 2.00 -0.81 -0.17 0.00 0.00 175.17 175.98 2iuf n PRO 393 N 6.90 0.56 -3.62 4.34 -0.04 -1.26 -4.38 135.00 137.50 2iuf n PRO 393 Ca 0.09 -0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.15 2iuf n PRO 393 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.15 3.89 -3.59 3.54 3.02 -1.26 -5.00 115.26 114.71 2iuf n ASN 394 Ca 0.15 -3.27 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 2iuf n ASN 394 Cb 0.24 -0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 38.54 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 1.71 6.41 -3.05 5.41 0.00 -1.26 -4.84 120.51 124.89 2iuf n ALA 395 Ca 0.24 -4.15 -0.11 0.00 0.00 0.00 0.00 53.44 49.41 2iuf n ALA 395 Cb 0.37 -2.82 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 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 -0.76 -0.21 0.14 0.00 1.13 -1.26 -4.85 117.35 111.54 2iuf s TYR 396 Ca 0.50 0.01 0.10 0.00 -1.41 0.00 0.00 57.07 56.27 2iuf s TYR 396 Cb 0.16 0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 2iuf s TYR 396 CO -0.06 -0.63 -0.24 -1.12 -2.51 0.00 0.00 175.55 170.98 2iuf s SER 397 N -2.45 3.10 0.25 -0.18 0.01 -1.26 -3.91 113.70 109.27 2iuf s SER 397 Ca -0.01 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 2iuf s SER 397 Cb 0.01 -0.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.94 2iuf s SER 397 CO -0.08 0.12 0.98 -2.84 0.41 0.00 0.00 173.24 171.82 2iuf s PRO 398 N -2.25 4.79 0.17 12.44 0.02 -1.26 -5.17 135.00 143.74 2iuf s PRO 398 Ca 0.14 1.55 0.10 0.00 0.02 0.00 0.00 61.00 62.81 2iuf s PRO 398 Cb -0.09 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 2iuf s PRO 398 CO 0.07 0.43 -0.23 0.54 -0.33 0.00 0.00 177.00 177.48 2iuf s ASN 399 N -1.14 3.12 -0.08 2.53 2.20 -1.25 -5.01 114.94 115.30 2iuf s ASN 399 Ca 0.42 -0.83 0.15 0.00 -0.94 0.00 0.00 52.86 51.67 2iuf s ASN 399 Cb -0.27 -0.21 -0.22 0.00 -2.00 0.00 0.00 41.25 38.55 2iuf s ASN 399 CO 0.33 0.08 0.22 0.35 -2.94 0.00 0.00 177.10 175.14 2iuf n THR 400 N 0.46 0.49 0.26 0.54 -2.24 -1.26 -2.12 114.28 110.42 2iuf n THR 400 Ca -0.14 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.25 2iuf n THR 400 Cb 0.55 -0.21 0.72 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.22 -0.78 4.39 -1.96 -0.55 114.58 115.46 2iuf h GLU 401 Ca -0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 2iuf h GLU 401 Cb 1.31 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 2iuf h GLU 401 CO 0.01 0.09 -0.16 -1.71 -1.16 0.00 0.00 179.01 176.08 2iuf n ASN 402 N -3.92 2.45 -2.87 1.42 5.15 -1.26 -4.99 115.26 111.25 2iuf n ASN 402 Ca -0.02 -3.64 -0.20 0.00 -0.60 0.00 0.00 54.58 50.11 2iuf n ASN 402 Cb 0.18 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 38.87 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 -1.08 -3.43 -1.08 1.20 5.02 -0.21 -2.27 118.16 116.31 2iuf n LYS 403 Ca 0.27 0.77 -0.03 0.00 -2.02 0.00 0.00 58.31 57.30 2iuf n LYS 403 Cb 0.89 -5.51 -0.01 0.00 -0.02 0.00 0.00 35.03 30.38 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 -1.21 0.60 3.53 0.72 0.00 -0.90 -5.00 105.19 102.93 2iuf n GLY 404 Ca -0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.83 4.10 0.44 1.61 0.15 -0.96 -3.67 113.70 112.54 2iuf s SER 405 Ca 0.00 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 2iuf s SER 405 Cb 0.00 -0.67 -0.08 0.00 -1.71 0.00 0.00 66.02 63.56 2iuf s SER 405 CO 0.00 0.18 1.35 -2.84 1.20 0.00 0.00 173.24 173.13 2iuf s PRO 406 N -2.16 3.79 0.20 5.44 0.02 -1.26 -4.79 135.00 136.24 2iuf s PRO 406 Ca 0.19 2.25 -0.15 0.00 0.02 0.00 0.00 61.00 63.31 2iuf s PRO 406 Cb -0.11 -2.67 -0.08 0.00 0.02 0.00 0.00 34.50 31.67 2iuf s PRO 406 CO 0.12 -0.67 0.62 0.15 -0.33 0.00 0.00 177.00 176.88 2iuf s LYS 407 N -2.39 4.03 0.22 5.54 1.02 -1.24 -4.99 119.74 121.93 2iuf s LYS 407 Ca 0.60 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.87 2iuf s LYS 407 Cb -0.40 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.00 2iuf s LYS 407 CO 0.51 0.39 1.47 -0.65 -0.92 0.00 0.00 175.35 176.15 2iuf s GLN 408 N -2.21 4.26 -0.07 1.68 -1.52 -1.26 -5.02 119.66 115.52 2iuf s GLN 408 Ca 0.43 2.31 0.04 0.00 -1.95 0.00 0.00 55.36 56.18 2iuf s GLN 408 Cb -0.14 -3.13 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 2iuf s GLN 408 CO 0.20 -0.47 -0.18 0.00 -0.25 0.00 0.00 175.29 174.58 2iuf s ALA 409 N 0.33 2.45 0.00 6.09 0.00 -1.26 -4.78 121.76 124.58 2iuf s ALA 409 Ca 0.62 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2iuf s ALA 409 Cb -0.42 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2iuf s ALA 409 CO 0.40 0.43 0.00 0.27 0.00 0.00 0.00 175.76 176.86 2iuf n ASN 410 N 2.83 0.00 -0.23 0.00 0.23 0.43 -4.41 115.26 114.11 2iuf n ASN 410 Ca -0.17 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.80 2iuf n ASN 410 Cb 0.52 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.27 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 1.10 0.00 -3.83 4.81 -1.79 -0.85 114.58 114.03 2iuf h GLU 411 Ca 0.00 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2iuf h GLU 411 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2iuf h GLU 411 CO 0.00 1.01 -1.26 0.25 -0.73 0.00 0.00 179.01 178.28 2iuf n THR 412 N -4.21 0.87 -4.23 0.32 -2.24 -1.26 -4.76 114.28 98.77 2iuf n THR 412 Ca 0.04 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 2iuf n THR 412 Cb 0.30 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.16 0.52 0.00 2.28 -7.23 -1.24 -4.87 120.40 106.71 2iuf s VAL 413 Ca -0.02 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2iuf s VAL 413 Cb 0.09 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.58 2iuf s VAL 413 CO 0.81 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 176.36 2iuf n GLY 414 N 2.99 0.52 3.72 2.32 0.00 -1.26 -0.43 105.19 113.05 2iuf n GLY 414 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.78 -6.95 -1.94 1.61 5.02 -1.26 -4.79 118.16 107.07 2iuf n LYS 415 Ca 0.00 0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 56.69 2iuf n LYS 415 Cb 0.02 -5.72 0.03 0.00 -0.02 0.00 0.00 35.03 29.34 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 -3.38 2.42 0.57 0.72 0.00 -0.32 -4.84 107.32 102.49 2iuf s GLY 416 Ca 0.58 0.74 -0.19 0.00 0.00 0.00 0.00 44.72 45.85 2iuf s GLY 416 CO 0.77 1.10 0.96 0.33 0.00 0.00 0.00 173.10 176.26 2iuf n PHE 417 N -1.93 0.85 -3.71 1.90 7.35 -1.26 -4.42 117.46 116.24 2iuf n PHE 417 Ca 0.11 0.45 -0.14 0.00 -0.76 0.00 0.00 57.45 57.12 2iuf n PHE 417 Cb 0.51 -2.15 -0.09 0.00 0.35 0.00 0.00 39.48 38.10 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 -1.48 -0.43 0.30 -5.13 -0.71 -1.26 -4.49 117.98 104.78 2iuf s PHE 418 Ca 0.73 0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 57.29 2iuf s PHE 418 Cb -0.44 0.17 -0.10 0.00 -1.21 0.00 0.00 43.02 41.44 2iuf s PHE 418 CO 0.49 -0.31 1.35 0.99 -1.34 0.00 0.00 175.22 176.41 2iuf s THR 419 N -0.28 2.69 -0.07 -4.49 2.01 -1.26 -4.84 115.64 109.40 2iuf s THR 419 Ca -0.04 0.65 -0.35 0.00 0.31 0.00 0.00 61.69 62.27 2iuf s THR 419 Cb -0.03 -3.42 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 2iuf s THR 419 CO 0.02 0.14 1.84 0.00 -0.69 0.00 0.00 174.62 175.93 2iuf n ALA 420 N 1.29 0.85 0.54 7.40 0.00 -1.26 -4.81 120.51 124.52 2iuf n ALA 420 Ca 0.02 0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.88 2iuf n ALA 420 Cb 0.41 -2.46 0.45 0.00 0.00 0.00 0.00 19.45 17.85 2iuf n ALA 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2iuf n PRO 421 N 6.17 0.15 0.00 0.00 -0.04 -1.26 -2.38 135.00 137.64 2iuf n PRO 421 Ca 0.22 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 2iuf n PRO 421 Cb 0.28 -1.74 0.40 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.00 1.82 -2.12 0.54 -0.58 -1.26 -4.93 120.64 112.11 2iuf n GLU 422 Ca 0.04 -1.22 -0.38 0.00 -0.42 0.00 0.00 57.16 55.18 2iuf n GLU 422 Cb 0.27 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.02 3.84 0.18 3.49 0.52 -1.00 -5.01 118.95 118.95 2iuf s ARG 423 Ca 0.35 2.00 0.01 0.00 -0.52 0.00 0.00 55.73 57.57 2iuf s ARG 423 Cb 0.21 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2iuf s ARG 423 CO 0.33 -0.55 0.02 0.95 0.02 0.00 0.00 175.30 176.08 2iuf s THR 424 N -1.37 0.57 0.08 0.02 -4.23 -1.26 -5.08 115.64 104.38 2iuf s THR 424 Ca 0.60 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 2iuf s THR 424 Cb -0.34 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2iuf s THR 424 CO 0.43 -0.40 -0.22 0.00 -0.54 0.00 0.00 174.62 173.90 2iuf s ALA 425 N -3.73 1.86 -0.17 3.99 0.00 -1.26 -5.15 121.76 117.29 2iuf s ALA 425 Ca 0.26 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 2iuf s ALA 425 Cb 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.94 2iuf s ALA 425 CO 0.05 0.40 0.57 0.45 0.00 0.00 0.00 175.76 177.23 2iuf s SER 426 N -1.63 -0.58 0.00 0.00 0.15 -1.26 -5.16 113.70 105.22 2iuf s SER 426 Ca 0.08 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2iuf s SER 426 Cb -0.10 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2iuf s SER 426 CO 0.03 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2iuf n GLY 427 N 2.34 1.63 3.78 9.45 0.00 -1.26 -5.04 105.19 116.09 2iuf n GLY 427 Ca -0.15 -2.25 -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 -1.45 4.34 0.10 1.61 1.02 -1.26 -4.99 119.74 119.11 2iuf s LYS 428 Ca 0.00 1.53 -0.31 0.00 0.02 0.00 0.00 55.97 57.21 2iuf s LYS 428 Cb 0.00 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.52 2iuf s LYS 428 CO 0.00 0.01 1.40 -0.51 -0.92 0.00 0.00 175.35 175.34 2iuf s LEU 429 N -2.30 4.36 0.04 3.17 1.43 -1.26 -4.98 118.68 119.15 2iuf s LEU 429 Ca 0.54 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.72 2iuf s LEU 429 Cb -0.23 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.46 2iuf s LEU 429 CO 0.29 -0.67 0.53 0.00 0.23 0.00 0.00 176.35 176.73 2iuf s GLN 430 N 1.29 1.04 -0.58 1.70 -2.07 -1.26 -5.10 119.66 114.68 2iuf s GLN 430 Ca 0.65 -0.19 -0.04 0.00 -1.82 0.00 0.00 55.36 53.96 2iuf s GLN 430 Cb -0.36 0.48 0.15 0.00 -1.09 0.00 0.00 33.01 32.18 2iuf s GLN 430 CO 0.30 -0.37 0.41 1.03 -1.32 0.00 0.00 175.29 175.33 2iuf s ARG 431 N -2.34 2.52 0.07 9.60 0.52 -1.26 -5.07 118.95 122.99 2iuf s ARG 431 Ca -0.06 -2.32 -0.07 0.00 -0.52 0.00 0.00 55.73 52.77 2iuf s ARG 431 Cb -0.01 -3.77 -0.01 0.00 0.52 0.00 0.00 34.95 31.69 2iuf s ARG 431 CO -0.01 -1.16 0.13 0.95 0.02 0.00 0.00 175.30 175.23 2iuf s THR 432 N 0.31 0.15 -0.23 0.02 -4.23 -1.26 -5.13 115.64 105.28 2iuf s THR 432 Ca 0.14 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.23 2iuf s THR 432 Cb -0.21 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 2iuf s THR 432 CO -0.04 -0.70 0.41 -0.22 -0.54 0.00 0.00 174.62 173.54 2iuf s LEU 433 N -2.67 4.10 0.27 4.79 2.96 -1.26 -5.03 118.68 121.83 2iuf s LEU 433 Ca 0.03 0.45 -0.31 0.00 -0.22 0.00 0.00 54.13 54.08 2iuf s LEU 433 Cb 0.04 -2.52 -0.12 0.00 0.50 0.00 0.00 46.19 44.09 2iuf s LEU 433 CO -0.09 -0.15 1.54 -0.24 -1.32 0.00 0.00 176.35 176.09 2iuf n SER 434 N 4.93 3.46 0.30 3.68 2.88 -1.26 -4.84 113.62 122.77 2iuf n SER 434 Ca -0.08 1.14 0.20 0.00 -1.33 0.00 0.00 58.87 58.81 2iuf n SER 434 Cb 0.51 -1.53 1.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 3.27 0.00 0.00 2.46 1.35 -2.04 -1.77 112.91 116.19 2iuf h THR 435 Ca -0.46 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2iuf h THR 435 Cb 1.24 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2iuf h THR 435 CO 0.79 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.41 2iuf n THR 436 N -3.01 0.65 0.33 6.82 -2.24 -1.26 -3.12 114.28 112.45 2iuf n THR 436 Ca -0.02 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2iuf n THR 436 Cb 0.15 -0.85 0.22 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 -1.44 0.50 0.84 4.78 3.01 -0.66 -4.26 117.46 120.23 2iuf n PHE 437 Ca 0.06 -0.25 0.13 0.00 1.01 0.00 0.00 57.45 58.39 2iuf n PHE 437 Cb 0.20 0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.03 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 1.47 0.11 -2.83 -1.08 1.02 -1.18 -4.63 120.64 113.51 2iuf n GLU 438 Ca 0.19 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 2iuf n GLU 438 Cb 0.60 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.52 6.23 0.00 1.62 3.84 -1.26 -4.83 114.94 117.01 2iuf s ASN 439 Ca 0.11 -1.07 0.26 0.00 0.21 0.00 0.00 52.86 52.36 2iuf s ASN 439 Cb 0.16 -2.43 0.60 0.00 -0.55 0.00 0.00 41.25 39.03 2iuf s ASN 439 CO 0.64 -1.44 1.47 0.59 -2.79 0.00 0.00 177.10 175.58 2iuf n ASN 440 N 7.74 1.59 0.00 -4.21 3.02 -1.26 -4.60 115.26 117.54 2iuf n ASN 440 Ca 0.00 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 2iuf n ASN 440 Cb 0.46 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.08 0.00 -0.24 3.10 8.01 -1.26 -4.60 117.44 122.36 2iuf n TRP 441 Ca 0.13 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.26 2iuf n TRP 441 Cb 0.41 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.75 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 0.88 -0.26 -0.99 0.02 -1.81 -1.98 113.55 109.41 2iuf h SER 442 Ca 0.00 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.64 2iuf h SER 442 Cb 0.88 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2iuf h SER 442 CO 0.00 0.77 -0.52 1.56 -1.14 0.00 0.00 176.83 177.50 2iuf h GLN 443 N 0.94 0.81 -1.00 3.45 4.20 -1.87 -0.23 115.11 121.41 2iuf h GLN 443 Ca 0.23 -0.52 0.22 0.00 0.06 0.00 0.00 58.65 58.64 2iuf h GLN 443 Cb 0.12 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.85 2iuf h GLN 443 CO -0.03 1.15 0.61 -1.35 -0.67 0.00 0.00 178.83 178.54 2iuf h PRO 444 N 0.57 0.64 -0.38 1.46 0.11 -1.80 -0.22 132.00 132.38 2iuf h PRO 444 Ca 0.01 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 2iuf h PRO 444 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2iuf h PRO 444 CO 0.12 0.42 -0.26 -0.09 -0.21 0.00 0.00 178.00 177.98 2iuf h ARG 445 N 0.66 0.84 -0.52 1.05 9.65 -0.86 -0.67 114.38 124.53 2iuf h ARG 445 Ca 0.61 -0.40 0.09 0.00 -1.10 0.00 0.00 59.98 59.18 2iuf h ARG 445 Cb 1.08 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.57 2iuf h ARG 445 CO -0.41 1.04 0.07 1.25 2.80 0.00 0.00 179.97 184.72 2iuf h LEU 446 N 0.64 -0.07 0.25 3.80 5.85 -0.21 0.91 115.31 126.48 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 0.83 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2iuf h LEU 446 CO 0.07 -0.01 -0.12 0.15 -0.34 0.00 0.00 178.44 178.19 2iuf h PHE 447 N 0.20 -0.31 -0.56 1.25 3.57 -0.77 -2.79 116.94 117.52 2iuf h PHE 447 Ca 0.26 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 2iuf h PHE 447 Cb 0.37 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 2iuf h PHE 447 CO -0.26 -0.11 0.20 2.35 -2.23 0.00 0.00 178.31 178.26 2iuf h TRP 448 N -0.45 0.35 0.00 0.41 2.91 -0.92 -1.23 115.95 117.02 2iuf h TRP 448 Ca -0.03 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 2iuf h TRP 448 Cb 0.34 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2iuf h TRP 448 CO -0.03 0.10 -0.02 -0.91 -1.03 0.00 0.00 178.44 176.55 2iuf h ASN 449 N 0.38 0.00 0.03 2.65 2.35 -0.67 -2.91 115.58 117.41 2iuf h ASN 449 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2iuf h ASN 449 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2iuf h ASN 449 CO -0.29 0.02 -0.05 -1.20 -1.65 0.00 0.00 177.43 174.27 2iuf n SER 450 N -3.90 1.37 -4.88 5.81 7.64 -0.47 -4.92 113.62 114.28 2iuf n SER 450 Ca -0.03 -1.37 -0.33 0.00 1.01 0.00 0.00 58.87 58.15 2iuf n SER 450 Cb 0.11 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 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 4.28 0.77 -3.43 1.43 -1.10 -4.60 118.68 113.94 2iuf s LEU 451 Ca 0.36 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 2iuf s LEU 451 Cb 0.21 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 43.21 2iuf s LEU 451 CO 0.37 0.07 1.16 0.68 0.23 0.00 0.00 176.35 178.85 2iuf s VAL 452 N -1.59 2.56 0.29 -1.59 -7.23 -1.26 -4.75 120.40 106.83 2iuf s VAL 452 Ca 0.39 0.23 0.04 0.00 -1.81 0.00 0.00 61.98 60.84 2iuf s VAL 452 Cb -0.13 -2.64 0.29 0.00 0.56 0.00 0.00 36.38 34.46 2iuf s VAL 452 CO 0.21 -0.19 1.77 0.78 -0.31 0.00 0.00 175.10 177.36 2iuf h ASN 453 N -0.79 0.71 -0.57 4.85 2.35 -1.98 -1.41 115.58 118.75 2iuf h ASN 453 Ca -0.46 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.33 2iuf h ASN 453 Cb 1.27 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 2iuf h ASN 453 CO 0.48 0.25 0.11 0.00 -1.65 0.00 0.00 177.43 176.63 2iuf h ALA 454 N 1.63 1.07 -0.00 -0.83 0.00 -1.94 -1.35 119.26 117.85 2iuf h ALA 454 Ca 0.56 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 2iuf h ALA 454 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2iuf h ALA 454 CO -0.39 0.61 -0.85 0.37 0.00 0.00 0.00 179.25 178.99 2iuf h GLN 455 N 0.91 0.18 -0.42 0.00 4.15 -1.63 0.19 115.11 118.49 2iuf h GLN 455 Ca 0.19 -0.19 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2iuf h GLN 455 Cb 0.37 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 2iuf h GLN 455 CO 0.01 0.93 0.06 0.87 -1.93 0.00 0.00 178.83 178.76 2iuf h LYS 456 N 0.10 0.18 -0.96 1.69 1.57 -1.23 -1.26 116.57 116.66 2iuf h LYS 456 Ca -0.04 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2iuf h LYS 456 Cb 1.47 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 2iuf h LYS 456 CO 0.13 0.12 0.64 1.49 -0.57 0.00 0.00 179.45 181.25 2iuf h GLU 457 N 0.18 1.26 -0.77 3.15 4.57 -0.76 -1.32 114.58 120.90 2iuf h GLU 457 Ca 0.21 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2iuf h GLU 457 Cb 0.27 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2iuf h GLU 457 CO -0.29 0.84 0.33 0.74 -1.18 0.00 0.00 179.01 179.44 2iuf h PHE 458 N 1.30 1.14 0.09 0.92 0.04 -0.08 0.12 116.94 120.47 2iuf h PHE 458 Ca 0.35 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 2iuf h PHE 458 Cb -0.15 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.65 2iuf h PHE 458 CO -0.00 0.85 -0.04 0.82 -0.60 0.00 0.00 178.31 179.33 2iuf h ILE 459 N 1.11 0.95 -0.57 -0.55 2.04 -0.78 0.06 117.51 119.77 2iuf h ILE 459 Ca 0.26 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 66.06 2iuf h ILE 459 Cb 0.17 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2iuf h ILE 459 CO -0.03 0.03 0.26 0.58 0.00 0.00 0.00 178.15 179.00 2iuf h VAL 460 N -0.18 0.89 -0.01 1.67 2.07 -0.79 -2.59 116.25 117.31 2iuf h VAL 460 Ca -0.01 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 2iuf h VAL 460 Cb 0.15 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2iuf h VAL 460 CO 0.02 0.09 -0.60 0.44 0.02 0.00 0.00 177.57 177.54 2iuf h ASP 461 N 0.49 0.06 0.00 0.57 3.32 -0.59 0.16 116.42 120.42 2iuf h ASP 461 Ca 0.27 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2iuf h ASP 461 Cb 0.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2iuf h ASP 461 CO -0.22 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 2iuf n ALA 462 N -2.44 1.44 0.00 3.45 0.00 -0.01 -1.57 120.51 121.39 2iuf n ALA 462 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2iuf n ALA 462 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.25 0.00 0.07 0.00 1.74 0.56 -0.80 116.66 118.48 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 0.06 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.23 0.09 -1.55 3.57 -1.54 -2.31 116.94 114.97 2iuf h PHE 465 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2iuf h PHE 465 Cb 0.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2iuf h PHE 465 CO 0.00 -0.14 -0.04 0.93 -2.23 0.00 0.00 178.31 176.83 2iuf h GLU 466 N -0.18 -0.12 0.00 1.11 4.39 -1.23 -3.12 114.58 115.44 2iuf h GLU 466 Ca 0.02 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2iuf h GLU 466 Cb 0.19 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2iuf h GLU 466 CO -0.05 0.18 -0.09 1.79 -1.16 0.00 0.00 179.01 179.68 2iuf h THR 467 N -0.42 0.22 0.00 1.13 1.35 -1.80 -1.68 112.91 111.71 2iuf h THR 467 Ca -0.01 -0.81 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2iuf h THR 467 Cb 0.36 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2iuf h THR 467 CO 0.02 0.09 -0.01 0.77 -0.25 0.00 0.00 175.52 176.14 2iuf h SER 468 N 0.00 0.00 -0.20 5.36 4.64 -1.35 -1.52 113.55 120.48 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 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2iuf h SER 468 CO 0.01 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 2iuf n ASN 469 N -3.11 1.96 -4.59 4.97 3.02 -0.63 -4.82 115.26 112.05 2iuf n ASN 469 Ca -0.01 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 2iuf n ASN 469 Cb 0.23 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.74 4.89 0.12 2.41 1.01 -0.57 -4.44 120.40 122.08 2iuf s VAL 470 Ca 0.33 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2iuf s VAL 470 Cb 0.18 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2iuf s VAL 470 CO 0.27 -0.23 1.38 0.28 0.00 0.00 0.00 175.10 176.79 2iuf h SER 471 N 8.29 0.93 -2.66 3.32 0.02 -1.88 -3.45 113.55 118.13 2iuf h SER 471 Ca -0.26 -0.54 -0.56 0.00 -0.84 0.00 0.00 61.79 59.59 2iuf h SER 471 Cb 1.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2iuf h SER 471 CO 0.83 1.34 1.11 -0.55 -1.14 0.00 0.00 176.83 178.42 2iuf s SER 472 N -7.01 6.52 0.40 3.07 0.15 -1.26 -4.90 113.70 110.67 2iuf s SER 472 Ca -0.10 1.96 0.10 0.00 0.70 0.00 0.00 55.95 58.62 2iuf s SER 472 Cb 0.10 -2.53 0.83 0.00 -1.71 0.00 0.00 66.02 62.70 2iuf s SER 472 CO 0.89 -1.09 1.93 0.77 1.20 0.00 0.00 173.24 176.95 2iuf h SER 473 N 10.15 0.18 -0.50 5.45 4.64 -1.99 -1.68 113.55 129.80 2iuf h SER 473 Ca -0.37 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2iuf h SER 473 Cb 1.17 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2iuf h SER 473 CO 0.97 0.34 0.28 0.58 -0.87 0.00 0.00 176.83 178.13 2iuf h VAL 474 N 0.18 1.17 -0.15 0.95 2.07 -1.99 -0.87 116.25 117.60 2iuf h VAL 474 Ca 0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2iuf h VAL 474 Cb 0.36 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2iuf h VAL 474 CO 0.02 0.18 0.02 0.58 0.02 0.00 0.00 177.57 178.39 2iuf h VAL 475 N 0.66 1.22 -0.57 2.57 2.07 -1.88 -0.48 116.25 119.84 2iuf h VAL 475 Ca 0.18 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.06 2iuf h VAL 475 Cb 0.03 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2iuf h VAL 475 CO -0.03 0.21 0.24 0.03 0.02 0.00 0.00 177.57 178.04 2iuf h ARG 476 N 0.04 0.43 -0.49 1.57 3.08 -1.20 0.96 114.38 118.78 2iuf h ARG 476 Ca 0.05 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2iuf h ARG 476 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2iuf h ARG 476 CO 0.00 0.29 0.04 -0.44 -1.07 0.00 0.00 179.97 178.79 2iuf h ASP 477 N 0.45 0.81 -0.27 7.04 3.32 -0.93 -2.22 116.42 124.61 2iuf h ASP 477 Ca 0.28 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2iuf h ASP 477 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2iuf h ASP 477 CO -0.25 0.89 0.06 0.44 -1.72 0.00 0.00 179.24 178.66 2iuf h ASP 478 N 0.70 0.50 -0.20 6.45 3.32 -0.49 -1.29 116.42 125.41 2iuf h ASP 478 Ca 0.14 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2iuf h ASP 478 Cb 0.46 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2iuf h ASP 478 CO 0.02 0.52 0.05 0.58 -1.72 0.00 0.00 179.24 178.70 2iuf h VAL 479 N 0.53 1.20 -0.87 -1.35 2.07 -0.53 -2.08 116.25 115.21 2iuf h VAL 479 Ca 0.12 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2iuf h VAL 479 Cb 0.25 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2iuf h VAL 479 CO 0.00 0.20 0.46 0.40 0.02 0.00 0.00 177.57 178.65 2iuf h ILE 480 N 0.14 1.26 -0.80 4.57 1.08 -1.06 -0.31 117.51 122.38 2iuf h ILE 480 Ca 0.06 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 2iuf h ILE 480 Cb 0.26 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.07 2iuf h ILE 480 CO -0.00 0.29 0.41 0.40 -0.69 0.00 0.00 178.15 178.57 2iuf h ILE 481 N 1.22 1.25 -0.21 -0.67 2.04 -1.11 -0.76 117.51 119.26 2iuf h ILE 481 Ca 0.30 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2iuf h ILE 481 Cb 0.05 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2iuf h ILE 481 CO -0.05 0.28 -0.18 1.56 0.00 0.00 0.00 178.15 179.77 2iuf h GLN 482 N 1.13 0.50 -0.57 2.37 1.08 -0.81 -3.03 115.11 115.77 2iuf h GLN 482 Ca 0.28 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2iuf h GLN 482 Cb 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2iuf h GLN 482 CO -0.04 0.82 0.38 -0.07 -0.95 0.00 0.00 178.83 178.97 2iuf h LEU 483 N 0.18 0.57 -1.52 1.46 3.38 -0.90 -2.12 115.31 116.36 2iuf h LEU 483 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2iuf h LEU 483 Cb 0.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2iuf h LEU 483 CO 0.05 0.40 -0.24 -1.13 0.09 0.00 0.00 178.44 177.60 2iuf h ASN 484 N 0.67 0.00 1.16 -0.43 -1.24 -1.02 0.19 115.58 114.91 2iuf h ASN 484 Ca 0.23 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 2iuf h ASN 484 Cb 0.09 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 2iuf h ASN 484 CO -0.06 0.24 -0.16 0.03 -1.29 0.00 0.00 177.43 176.19 2iuf h ARG 485 N 0.00 0.00 0.10 6.67 3.08 -1.32 -3.21 114.38 119.70 2iuf h ARG 485 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2iuf h ARG 485 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2iuf h ARG 485 CO 0.03 0.16 -0.05 0.82 -1.07 0.00 0.00 179.97 179.86 2iuf h ILE 486 N 0.00 0.46 -2.12 2.04 2.04 -0.98 -3.40 117.51 115.54 2iuf h ILE 486 Ca -0.00 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2iuf h ILE 486 Cb 0.78 0.84 -0.22 0.00 -0.74 0.00 0.00 36.82 37.48 2iuf h ILE 486 CO 0.02 0.14 -0.06 -0.55 0.00 0.00 0.00 178.15 177.70 2iuf s SER 487 N -5.54 -0.88 0.48 1.72 0.15 -0.59 -4.67 113.70 104.36 2iuf s SER 487 Ca -0.07 1.41 0.20 0.00 0.70 0.00 0.00 55.95 58.19 2iuf s SER 487 Cb -0.00 1.40 1.19 0.00 -1.71 0.00 0.00 66.02 66.90 2iuf s SER 487 CO 0.25 -0.23 2.02 -0.78 1.20 0.00 0.00 173.24 175.70 2iuf h ASP 488 N 7.19 0.00 0.14 5.45 1.82 -1.82 -1.93 116.42 127.26 2iuf h ASP 488 Ca -0.29 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 2iuf h ASP 488 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2iuf h ASP 488 CO 0.17 0.17 -0.07 -1.13 -1.61 0.00 0.00 179.24 176.77 2iuf h ASN 489 N 0.00 -0.16 -0.28 2.28 -0.00 -1.94 -0.99 115.58 114.50 2iuf h ASN 489 Ca -0.00 -0.30 0.07 0.00 -0.00 0.00 0.00 56.30 56.07 2iuf h ASN 489 Cb 0.35 0.04 -0.07 0.00 -0.00 0.00 0.00 38.32 38.64 2iuf h ASN 489 CO 0.02 0.23 -0.20 0.25 -0.00 0.00 0.00 177.43 177.74 2iuf h LEU 490 N -0.57 -0.64 -0.44 0.34 5.85 -1.89 -0.62 115.31 117.34 2iuf h LEU 490 Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2iuf h LEU 490 Cb 0.44 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2iuf h LEU 490 CO 0.03 -0.23 0.28 0.00 -0.34 0.00 0.00 178.44 178.18 2iuf h ALA 491 N 0.97 0.56 -0.33 1.25 0.00 -1.35 -1.74 119.26 118.63 2iuf h ALA 491 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2iuf h ALA 491 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2iuf h ALA 491 CO -0.38 0.03 0.14 1.15 0.00 0.00 0.00 179.25 180.19 2iuf h THR 492 N 0.60 1.17 -0.88 0.00 2.02 -0.91 -1.05 112.91 113.85 2iuf h THR 492 Ca 0.16 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2iuf h THR 492 Cb -0.04 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2iuf h THR 492 CO -0.03 0.18 0.55 0.03 0.37 0.00 0.00 175.52 176.62 2iuf h ARG 493 N 0.38 1.19 -0.16 6.66 3.08 -0.89 -2.34 114.38 122.29 2iuf h ARG 493 Ca 0.11 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2iuf h ARG 493 Cb 0.16 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2iuf h ARG 493 CO -0.01 0.82 -0.27 0.28 -1.07 0.00 0.00 179.97 179.71 2iuf h VAL 494 N 1.21 1.35 -0.81 2.04 2.07 -1.20 -3.27 116.25 117.64 2iuf h VAL 494 Ca 0.32 -1.51 0.09 0.00 0.82 0.00 0.00 66.70 66.42 2iuf h VAL 494 Cb -0.08 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2iuf h VAL 494 CO -0.06 0.45 0.53 0.00 0.02 0.00 0.00 177.57 178.51 2iuf h ALA 495 N 0.58 1.70 0.00 1.67 0.00 -0.97 -2.02 119.26 120.22 2iuf h ALA 495 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2iuf h ALA 495 Cb 0.86 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2iuf h ALA 495 CO 0.06 0.15 -0.10 0.66 0.00 0.00 0.00 179.25 180.02 2iuf h SER 496 N 0.80 0.00 1.84 0.00 4.64 -1.47 -2.13 113.55 117.23 2iuf h SER 496 Ca 0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.66 2iuf h SER 496 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2iuf h SER 496 CO -0.14 0.10 -0.13 0.00 -0.87 0.00 0.00 176.83 175.78 2iuf h ALA 497 N 1.90 0.92 -0.02 5.18 0.00 -1.53 -3.40 119.26 122.31 2iuf h ALA 497 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2iuf h ALA 497 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2iuf h ALA 497 CO 0.01 0.17 0.00 0.44 0.00 0.00 0.00 179.25 179.87 2iuf n ILE 498 N -3.14 1.65 -2.40 0.00 -5.35 -0.81 -4.96 119.36 104.36 2iuf n ILE 498 Ca 0.03 -1.88 -0.12 0.00 -0.27 0.00 0.00 62.75 60.52 2iuf n ILE 498 Cb 0.58 -0.03 0.01 0.00 -1.74 0.00 0.00 39.64 38.46 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 -1.10 -0.04 3.47 3.28 0.00 -1.19 -5.02 105.19 104.60 2iuf n GLY 499 Ca 0.12 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.69 3.29 0.26 1.61 1.01 -1.19 -5.09 120.40 117.60 2iuf s VAL 500 Ca 0.07 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2iuf s VAL 500 Cb -0.03 -2.35 -0.13 0.00 0.00 0.00 0.00 36.38 33.87 2iuf s VAL 500 CO 0.09 0.56 1.46 1.21 0.00 0.00 0.00 175.10 178.41 2iuf n GLU 501 N 2.81 2.24 -1.69 2.72 2.13 -1.26 -4.49 120.64 123.11 2iuf n GLU 501 Ca -0.18 0.80 -0.44 0.00 0.66 0.00 0.00 57.16 58.00 2iuf n GLU 501 Cb 0.53 -2.49 -0.04 0.00 0.27 0.00 0.00 31.44 29.71 2iuf n GLU 501 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2iuf n ALA 502 N 1.89 1.97 -1.90 4.31 0.00 -1.26 -4.95 120.51 120.56 2iuf n ALA 502 Ca 0.10 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.63 2iuf n ALA 502 Cb 0.33 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 2iuf n ALA 502 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2iuf s PRO 503 N 1.30 3.98 0.31 0.00 0.04 -1.26 -5.05 135.00 134.32 2iuf s PRO 503 Ca 0.78 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 2iuf s PRO 503 Cb -0.60 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 2iuf s PRO 503 CO 0.36 -0.17 0.95 0.15 0.04 0.00 0.00 177.00 178.34 2iuf s LYS 504 N -3.82 4.62 0.50 4.56 1.02 -1.26 -4.94 119.74 120.42 2iuf s LYS 504 Ca 0.58 1.39 -0.23 0.00 0.02 0.00 0.00 55.97 57.73 2iuf s LYS 504 Cb -0.10 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.24 2iuf s LYS 504 CO 0.27 0.31 1.35 -1.25 -0.92 0.00 0.00 175.35 175.11 2iuf s PRO 505 N -1.86 3.44 -0.26 -1.68 0.04 -1.26 -5.01 135.00 128.40 2iuf s PRO 505 Ca 0.48 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2iuf s PRO 505 Cb -0.21 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 31.97 2iuf s PRO 505 CO 0.26 -0.94 -0.05 1.21 0.04 0.00 0.00 177.00 177.52 2iuf s ASN 506 N -0.86 4.22 0.00 6.66 3.84 -1.26 -5.02 114.94 122.52 2iuf s ASN 506 Ca 0.66 -1.43 0.21 0.00 0.21 0.00 0.00 52.86 52.51 2iuf s ASN 506 Cb -0.40 -1.37 1.07 0.00 -0.55 0.00 0.00 41.25 40.00 2iuf s ASN 506 CO 0.49 -0.25 1.71 -1.54 -2.79 0.00 0.00 177.10 174.72 2iuf n SER 507 N 4.53 0.54 -0.26 -4.21 3.41 -1.26 -4.33 113.62 112.03 2iuf n SER 507 Ca -0.10 -1.47 0.07 0.00 -0.26 0.00 0.00 58.87 57.11 2iuf n SER 507 Cb 0.43 -0.03 0.19 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.73 -0.17 -0.10 4.04 0.02 -1.95 -2.92 113.55 113.20 2iuf h SER 508 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2iuf h SER 508 Cb 0.16 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2iuf h SER 508 CO 0.00 -0.13 0.00 0.49 -1.14 0.00 0.00 176.83 176.05 2iuf n PHE 509 N -5.26 0.13 -2.36 3.45 3.72 -1.26 -5.03 117.46 110.84 2iuf n PHE 509 Ca 0.15 -0.31 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 2iuf n PHE 509 Cb 0.51 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.78 3.41 0.23 1.38 2.02 -1.11 -4.59 117.35 117.91 2iuf s TYR 510 Ca 0.08 1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 58.13 2iuf s TYR 510 Cb 0.05 -3.42 0.04 0.00 -0.40 0.00 0.00 41.96 38.22 2iuf s TYR 510 CO 0.07 -1.03 0.81 -3.38 -1.57 0.00 0.00 175.55 170.44 2iuf s HIS 511 N -0.96 -0.17 -0.13 2.71 -3.43 -1.26 -5.08 115.29 106.98 2iuf s HIS 511 Ca 0.47 -0.23 0.15 0.00 -0.80 0.00 0.00 55.06 54.65 2iuf s HIS 511 Cb -0.34 0.68 0.25 0.00 -1.43 0.00 0.00 32.58 31.74 2iuf s HIS 511 CO 0.44 -1.08 1.14 -0.25 -2.00 0.00 0.00 174.74 172.99 2iuf n ASP 512 N -0.46 2.41 -4.80 7.38 8.00 -1.26 -4.91 116.55 122.91 2iuf n ASP 512 Ca -0.05 -2.83 -0.32 0.00 0.71 0.00 0.00 54.79 52.30 2iuf n ASP 512 Cb 0.60 -0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.37 5.34 0.17 -2.24 0.01 -1.26 -5.06 114.94 109.53 2iuf s ASN 513 Ca 0.26 1.79 -0.00 0.00 -0.71 0.00 0.00 52.86 54.20 2iuf s ASN 513 Cb 0.22 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2iuf s ASN 513 CO 0.03 -1.47 0.07 0.42 -1.51 0.00 0.00 177.10 174.64 2iuf s THR 514 N -2.68 0.19 0.01 1.60 -4.23 -1.26 -4.58 115.64 104.69 2iuf s THR 514 Ca 0.62 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2iuf s THR 514 Cb -0.16 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 2iuf s THR 514 CO 0.46 -0.30 -0.03 0.28 -0.54 0.00 0.00 174.62 174.48 2iuf s THR 515 N -4.00 0.23 0.28 3.99 -1.32 -1.26 -5.05 115.64 108.51 2iuf s THR 515 Ca 0.29 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 60.04 2iuf s THR 515 Cb 0.07 -0.26 -0.09 0.00 -1.51 0.00 0.00 72.50 70.71 2iuf s THR 515 CO 0.06 -0.14 1.05 0.00 -2.21 0.00 0.00 174.62 173.38 2iuf s ALA 516 N -0.58 3.36 -1.46 11.08 0.00 -1.26 -4.18 121.76 128.72 2iuf s ALA 516 Ca -0.05 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 2iuf s ALA 516 Cb -0.04 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.84 2iuf s ALA 516 CO -0.00 -0.06 0.86 0.72 0.00 0.00 0.00 175.76 177.28 2iuf n HIS 517 N 1.13 -2.13 0.06 0.00 8.25 -1.26 -4.88 115.22 116.39 2iuf n HIS 517 Ca -0.01 0.88 0.06 0.00 -0.26 0.00 0.00 57.72 58.39 2iuf n HIS 517 Cb 0.46 -4.08 -0.06 0.00 1.12 0.00 0.00 29.99 27.43 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 -4.53 0.82 -1.95 1.59 0.13 -1.26 -4.93 119.36 109.22 2iuf n ILE 518 Ca -0.09 -0.61 -0.29 0.00 -1.10 0.00 0.00 62.75 60.66 2iuf n ILE 518 Cb 0.58 -0.48 0.14 0.00 -0.84 0.00 0.00 39.64 39.05 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 -4.59 1.71 0.32 4.50 0.00 -1.26 -4.98 107.32 103.01 2iuf s GLY 519 Ca -0.03 -1.01 0.21 0.00 0.00 0.00 0.00 44.72 43.89 2iuf s GLY 519 CO 0.81 -0.36 1.38 0.00 0.00 0.00 0.00 173.10 174.93 2iuf h ALA 520 N -1.35 0.79 -3.43 3.20 0.00 -1.92 -3.47 119.26 113.08 2iuf h ALA 520 Ca -0.45 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 53.63 2iuf h ALA 520 Cb 1.27 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2iuf h ALA 520 CO 0.49 0.21 -0.67 -0.06 0.00 0.00 0.00 179.25 179.23 2iuf s PHE 521 N -3.17 3.00 0.00 0.00 0.08 -1.26 -4.43 117.98 112.20 2iuf s PHE 521 Ca 0.04 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.11 2iuf s PHE 521 Cb 0.07 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2iuf s PHE 521 CO 0.73 0.44 0.00 0.41 -0.10 0.00 0.00 175.22 176.70 2iuf n GLY 522 N 1.25 1.24 3.35 4.36 0.00 -1.26 -4.69 105.19 109.44 2iuf n GLY 522 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 1.59 0.49 1.61 2.02 -1.26 -5.13 118.70 118.02 2iuf s GLU 523 Ca 0.00 -1.18 -0.22 0.00 0.02 0.00 0.00 54.97 53.59 2iuf s GLU 523 Cb 0.00 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 32.29 2iuf s GLU 523 CO 0.00 0.47 1.19 0.15 0.02 0.00 0.00 175.26 177.08 2iuf s LYS 524 N -1.54 3.60 0.60 1.61 1.02 -1.26 -4.93 119.74 118.84 2iuf s LYS 524 Ca 0.12 1.81 -0.20 0.00 0.02 0.00 0.00 55.97 57.72 2iuf s LYS 524 Cb -0.10 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2iuf s LYS 524 CO 0.03 -0.70 1.32 -0.51 -0.92 0.00 0.00 175.35 174.58 2iuf s LEU 525 N -3.23 3.70 0.03 3.17 1.43 -0.12 -4.93 118.68 118.73 2iuf s LEU 525 Ca 0.66 2.69 -0.03 0.00 -1.03 0.00 0.00 54.13 56.42 2iuf s LEU 525 Cb -0.29 -4.47 -0.28 0.00 0.03 0.00 0.00 46.19 41.18 2iuf s LEU 525 CO 0.35 -1.82 0.95 0.00 0.23 0.00 0.00 176.35 176.07 2iuf h ALA 526 N 0.95 0.22 -3.71 4.21 0.00 -1.35 -3.47 119.26 116.12 2iuf h ALA 526 Ca -0.51 -1.04 -0.33 0.00 0.00 0.00 0.00 54.91 53.03 2iuf h ALA 526 Cb 1.32 0.19 -0.26 0.00 0.00 0.00 0.00 17.79 19.04 2iuf h ALA 526 CO 0.55 1.09 -0.76 0.15 0.00 0.00 0.00 179.25 180.29 2iuf s LYS 527 N -2.63 0.54 0.00 0.00 1.02 -0.59 -5.00 119.74 113.08 2iuf s LYS 527 Ca -0.07 -0.41 0.24 0.00 0.02 0.00 0.00 55.97 55.74 2iuf s LYS 527 Cb 0.07 -0.46 0.43 0.00 -0.52 0.00 0.00 37.83 37.35 2iuf s LYS 527 CO 0.86 0.12 1.40 1.28 -0.92 0.00 0.00 175.35 178.09 2iuf n LEU 528 N 2.44 2.95 -4.60 3.17 4.77 -1.26 -4.83 117.00 119.64 2iuf n LEU 528 Ca -0.16 -1.16 -0.50 0.00 -0.03 0.00 0.00 56.01 54.17 2iuf n LEU 528 Cb 0.57 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2iuf n LEU 528 CO 0.24 0.58 0.87 0.47 -1.33 0.00 0.00 177.39 178.21 2iuf n ASP 529 N 1.21 1.74 0.00 -1.43 10.43 -1.15 -1.78 116.55 125.58 2iuf n ASP 529 Ca 0.17 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.66 2iuf n ASP 529 Cb 0.55 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.28 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 2.39 1.68 3.79 0.44 0.00 0.30 -4.98 105.19 108.82 2iuf n GLY 530 Ca 0.17 0.00 -0.32 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 3.23 -0.05 0.99 1.43 -0.73 -4.85 118.68 118.69 2iuf s LEU 531 Ca 0.00 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2iuf s LEU 531 Cb 0.00 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.71 2iuf s LEU 531 CO 0.00 -1.64 -0.09 -0.54 0.23 0.00 0.00 176.35 174.31 2iuf s LYS 532 N -4.59 1.35 -0.25 1.70 1.02 -1.26 -1.66 119.74 116.05 2iuf s LYS 532 Ca 0.62 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 56.22 2iuf s LYS 532 Cb -0.17 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 2iuf s LYS 532 CO 0.49 -0.00 0.12 0.08 -0.92 0.00 0.00 175.35 175.11 2iuf s VAL 533 N 0.71 4.74 -0.35 3.17 1.01 0.41 0.28 120.40 130.37 2iuf s VAL 533 Ca -0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 2iuf s VAL 533 Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2iuf s VAL 533 CO 0.02 0.32 0.77 -0.83 0.00 0.00 0.00 175.10 175.38 2iuf s GLY 534 N 1.56 1.67 -0.44 4.51 0.00 0.79 -0.50 107.32 114.91 2iuf s GLY 534 Ca 0.06 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 2iuf s GLY 534 CO 0.06 1.73 0.46 -2.27 0.00 0.00 0.00 173.10 173.08 2iuf s LEU 535 N 3.04 4.99 -0.45 0.66 2.96 0.48 -0.71 118.68 129.64 2iuf s LEU 535 Ca 0.31 -0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 53.17 2iuf s LEU 535 Cb -0.13 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.21 2iuf s LEU 535 CO 0.16 -0.64 0.84 -0.76 -1.32 0.00 0.00 176.35 174.63 2iuf s LEU 536 N 2.14 4.15 0.00 -0.68 1.43 0.25 -0.93 118.68 125.06 2iuf s LEU 536 Ca 0.11 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2iuf s LEU 536 Cb -0.18 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 42.98 2iuf s LEU 536 CO 0.12 -0.96 0.03 0.00 0.23 0.00 0.00 176.35 175.78 2iuf n ALA 537 N 6.87 0.32 -3.34 4.21 0.00 0.09 -0.97 120.51 127.69 2iuf n ALA 537 Ca 0.04 -1.46 -0.13 0.00 0.00 0.00 0.00 53.44 51.89 2iuf n ALA 537 Cb 0.48 0.86 -0.14 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.78 -0.03 0.60 0.00 0.15 -1.26 -4.47 113.70 105.91 2iuf s SER 538 Ca 0.05 0.13 0.37 0.00 0.70 0.00 0.00 55.95 57.20 2iuf s SER 538 Cb 0.00 0.07 1.89 0.00 -1.71 0.00 0.00 66.02 66.28 2iuf s SER 538 CO 0.03 -0.08 2.19 -0.37 1.20 0.00 0.00 173.24 176.22 2iuf h VAL 539 N 5.62 0.16 0.00 4.45 -1.51 -1.93 -1.61 116.25 121.42 2iuf h VAL 539 Ca -0.34 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2iuf h VAL 539 Cb 1.17 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2iuf h VAL 539 CO 0.47 0.03 0.00 0.59 -1.23 0.00 0.00 177.57 177.42 2iuf n ASN 540 N -3.25 0.41 -3.68 4.19 3.02 -1.26 -4.12 115.26 110.56 2iuf n ASN 540 Ca -0.02 0.55 -0.28 0.00 -0.03 0.00 0.00 54.58 54.80 2iuf n ASN 540 Cb 0.17 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.07 1.51 0.49 3.52 -0.14 -0.61 -5.00 119.74 116.44 2iuf s LYS 541 Ca 0.11 -2.39 0.25 0.00 -1.36 0.00 0.00 55.97 52.58 2iuf s LYS 541 Cb 0.14 -2.40 1.31 0.00 -1.68 0.00 0.00 37.83 35.21 2iuf s LYS 541 CO 0.52 -1.25 1.91 -1.35 -0.76 0.00 0.00 175.35 174.42 2iuf h PRO 542 N 6.11 0.14 0.00 -1.68 0.11 -1.72 0.14 132.00 135.11 2iuf h PRO 542 Ca 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2iuf h PRO 542 Cb 0.88 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2iuf h PRO 542 CO 0.52 0.10 -0.08 0.00 -0.21 0.00 0.00 178.00 178.33 2iuf h ALA 543 N 1.62 1.79 -0.48 -0.75 0.00 -1.91 -1.88 119.26 117.65 2iuf h ALA 543 Ca 0.39 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2iuf h ALA 543 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2iuf h ALA 543 CO -0.06 0.10 -0.08 0.66 0.00 0.00 0.00 179.25 179.87 2iuf h SER 544 N 0.00 0.91 -0.13 0.00 4.64 -0.82 -2.71 113.55 115.44 2iuf h SER 544 Ca -0.00 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 2iuf h SER 544 Cb 0.14 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2iuf h SER 544 CO 0.01 1.04 -0.25 0.40 -0.87 0.00 0.00 176.83 177.16 2iuf h ILE 545 N 0.76 1.27 0.00 0.95 2.04 -1.46 -2.92 117.51 118.14 2iuf h ILE 545 Ca 0.13 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 2iuf h ILE 545 Cb 0.62 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2iuf h ILE 545 CO 0.04 0.42 -0.07 0.00 0.00 0.00 0.00 178.15 178.54 2iuf h ALA 546 N 1.23 1.16 0.00 1.87 0.00 -1.10 -1.14 119.26 121.28 2iuf h ALA 546 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2iuf h ALA 546 Cb 0.70 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2iuf h ALA 546 CO 0.05 0.09 -0.04 1.96 0.00 0.00 0.00 179.25 181.31 2iuf h GLN 547 N 0.00 0.00 0.21 0.00 4.20 -1.28 -3.05 115.11 115.18 2iuf h GLN 547 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2iuf h GLN 547 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2iuf h GLN 547 CO 0.01 0.04 -0.12 0.78 -0.67 0.00 0.00 178.83 178.87 2iuf h GLY 548 N 0.88 -0.32 1.79 3.46 0.00 -1.36 -0.83 103.07 106.69 2iuf h GLY 548 Ca -0.00 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 2iuf h GLY 548 CO 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 176.54 176.10 2iuf h ALA 549 N 0.47 1.23 -0.07 3.60 0.00 -1.73 0.12 119.26 122.88 2iuf h ALA 549 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2iuf h ALA 549 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2iuf h ALA 549 CO 0.03 0.52 -0.00 -0.22 0.00 0.00 0.00 179.25 179.58 2iuf h LYS 550 N 0.21 0.13 -0.58 0.00 3.64 -1.52 -0.98 116.57 117.46 2iuf h LYS 550 Ca 0.03 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2iuf h LYS 550 Cb 0.68 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2iuf h LYS 550 CO 0.05 0.40 0.10 1.25 -2.27 0.00 0.00 179.45 178.98 2iuf h LEU 551 N -0.16 0.88 -0.76 5.20 5.85 -0.85 -2.76 115.31 122.72 2iuf h LEU 551 Ca 0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2iuf h LEU 551 Cb 0.35 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2iuf h LEU 551 CO 0.00 0.88 0.40 -0.61 -0.34 0.00 0.00 178.44 178.78 2iuf h GLN 552 N 0.88 1.07 -0.02 1.25 5.75 -0.56 -1.72 115.11 121.75 2iuf h GLN 552 Ca 0.18 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2iuf h GLN 552 Cb 0.38 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2iuf h GLN 552 CO 0.01 0.80 -0.02 -0.39 -2.65 0.00 0.00 178.83 176.58 2iuf h VAL 553 N 1.05 1.03 0.00 2.39 -1.51 -0.89 0.31 116.25 118.64 2iuf h VAL 553 Ca 0.26 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2iuf h VAL 553 Cb 0.06 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 2iuf h VAL 553 CO -0.04 0.04 -0.15 0.00 -1.23 0.00 0.00 177.57 176.19 2iuf n ALA 554 N -2.53 2.48 0.21 5.19 0.00 -0.70 -4.03 120.51 121.12 2iuf n ALA 554 Ca -0.03 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2iuf n ALA 554 Cb 0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.09 0.21 0.22 0.00 4.77 -0.51 -4.72 117.00 114.88 2iuf n LEU 555 Ca 0.05 -0.29 0.07 0.00 -0.03 0.00 0.00 56.01 55.81 2iuf n LEU 555 Cb 0.42 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.10 2iuf n LEU 555 CO 0.31 0.05 1.06 0.77 -1.33 0.00 0.00 177.39 178.25 2iuf h SER 556 N 0.00 0.06 0.79 -1.43 4.64 -1.13 -2.66 113.55 113.82 2iuf h SER 556 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 556 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2iuf h SER 556 CO 0.00 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 176.80 2iuf h SER 557 N 0.07 0.00 -0.43 4.97 4.64 -1.84 -1.79 113.55 119.16 2iuf h SER 557 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2iuf h SER 557 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2iuf h SER 557 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2iuf n VAL 558 N -2.68 0.86 -1.37 0.95 0.24 -1.01 -4.99 118.33 110.32 2iuf n VAL 558 Ca 0.01 -0.93 -0.05 0.00 -2.04 0.00 0.00 64.34 61.33 2iuf n VAL 558 Cb 0.25 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.95 0.62 3.75 7.63 0.00 -0.67 -2.91 105.19 114.55 2iuf n GLY 559 Ca 0.16 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.20 5.31 -0.09 1.61 1.01 -1.16 -0.54 120.40 124.34 2iuf s VAL 560 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 2iuf s VAL 560 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2iuf s VAL 560 CO 0.00 0.43 0.18 -1.81 0.00 0.00 0.00 175.10 173.89 2iuf s ASP 561 N 0.21 6.44 -0.20 3.32 1.01 -0.67 -4.17 116.67 122.61 2iuf s ASP 561 Ca 0.16 0.52 -0.09 0.00 0.71 0.00 0.00 52.55 53.85 2iuf s ASP 561 Cb -0.13 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2iuf s ASP 561 CO 0.04 0.38 0.10 -0.69 0.21 0.00 0.00 175.17 175.21 2iuf s VAL 562 N -1.07 5.05 -0.25 -1.27 1.01 -1.26 -0.44 120.40 122.17 2iuf s VAL 562 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2iuf s VAL 562 Cb -0.13 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2iuf s VAL 562 CO 0.07 0.43 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 2iuf s VAL 563 N 0.53 3.01 -0.25 2.92 1.01 0.34 -4.96 120.40 123.00 2iuf s VAL 563 Ca 0.05 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2iuf s VAL 563 Cb -0.12 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2iuf s VAL 563 CO 0.00 0.24 0.86 -0.69 0.00 0.00 0.00 175.10 175.50 2iuf s VAL 564 N 1.36 4.81 -0.14 2.92 1.01 -1.26 -0.39 120.40 128.70 2iuf s VAL 564 Ca 0.01 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 2iuf s VAL 564 Cb -0.16 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2iuf s VAL 564 CO -0.04 -0.11 0.01 -0.69 0.00 0.00 0.00 175.10 174.26 2iuf s VAL 565 N 2.92 4.30 0.35 2.92 1.01 -0.10 -0.05 120.40 131.74 2iuf s VAL 565 Ca 0.36 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2iuf s VAL 565 Cb -0.15 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2iuf s VAL 565 CO 0.08 0.51 0.54 0.00 0.00 0.00 0.00 175.10 176.24 2iuf n ALA 566 N 3.14 -0.68 -0.01 5.51 0.00 -0.65 -0.73 120.51 127.10 2iuf n ALA 566 Ca -0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 53.44 51.76 2iuf n ALA 566 Cb 0.53 1.18 0.20 0.00 0.00 0.00 0.00 19.45 21.36 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 0.54 0.00 0.00 3.07 -1.87 -0.26 114.58 116.06 2iuf h GLU 567 Ca -0.28 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2iuf h GLU 567 Cb 1.15 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2iuf h GLU 567 CO 0.37 0.71 0.00 2.89 -1.40 0.00 0.00 179.01 181.58 2iuf n ARG 568 N -4.15 0.00 0.00 2.33 1.85 -1.26 -4.55 116.66 110.88 2iuf n ARG 568 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2iuf n ARG 568 Cb 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 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 -1.65 2.89 0.00 -1.26 -4.89 120.51 112.60 2iuf n ALA 570 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2iuf n ALA 570 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.31 -0.61 0.00 3.02 -1.26 -1.87 115.26 116.85 2iuf n ASN 571 Ca 0.00 1.16 -0.08 0.00 -0.03 0.00 0.00 54.58 55.63 2iuf n ASN 571 Cb 0.00 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 37.75 2iuf n ASN 571 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2iuf n ASN 572 N 1.77 -4.66 -4.77 6.41 3.02 -1.26 -5.01 115.26 110.77 2iuf n ASN 572 Ca 0.11 0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 54.48 2iuf n ASN 572 Cb 0.31 -2.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.56 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 -2.07 5.19 -0.17 2.41 1.01 -0.78 -4.78 120.40 121.21 2iuf s VAL 573 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2iuf s VAL 573 Cb 0.00 -3.71 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 2iuf s VAL 573 CO 0.00 0.44 0.14 0.47 0.00 0.00 0.00 175.10 176.15 2iuf n ASP 574 N 2.97 1.75 -4.00 3.32 10.43 0.93 -4.83 116.55 127.13 2iuf n ASP 574 Ca -0.11 0.08 -0.08 0.00 2.57 0.00 0.00 54.79 57.24 2iuf n ASP 574 Cb 0.52 -0.44 -0.09 0.00 1.84 0.00 0.00 41.12 42.95 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 0.62 0.32 -1.24 2.02 -0.57 -4.98 118.70 112.33 2iuf s GLU 575 Ca -0.24 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 2iuf s GLU 575 Cb 0.08 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 2iuf s GLU 575 CO 0.72 -0.14 0.55 0.95 0.02 0.00 0.00 175.26 177.35 2iuf s THR 576 N -3.37 5.07 0.25 3.63 -4.23 -1.26 -1.63 115.64 114.10 2iuf s THR 576 Ca 0.02 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2iuf s THR 576 Cb 0.04 -3.79 0.23 0.00 1.34 0.00 0.00 72.50 70.31 2iuf s THR 576 CO -0.08 -0.43 1.81 1.88 -0.54 0.00 0.00 174.62 177.26 2iuf h TYR 577 N 1.26 0.92 -0.82 3.99 0.05 -1.28 -1.95 116.97 119.13 2iuf h TYR 577 Ca -0.48 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.43 2iuf h TYR 577 Cb 1.20 -0.28 -0.07 0.00 1.01 0.00 0.00 36.73 38.59 2iuf h TYR 577 CO 0.55 0.37 0.47 1.03 -1.05 0.00 0.00 178.16 179.52 2iuf h SER 578 N 0.83 0.66 0.23 3.88 0.87 -1.86 -1.99 113.55 116.17 2iuf h SER 578 Ca 0.42 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2iuf h SER 578 Cb 0.40 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2iuf h SER 578 CO -0.25 0.37 -0.05 0.00 -0.53 0.00 0.00 176.83 176.36 2iuf n ALA 579 N -2.38 2.68 -2.70 6.23 0.00 -0.78 -4.93 120.51 118.63 2iuf n ALA 579 Ca 0.14 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 2iuf n ALA 579 Cb 0.29 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.29 4.84 -0.07 0.00 0.01 -0.75 -4.91 113.70 110.54 2iuf s SER 580 Ca 0.35 -0.53 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2iuf s SER 580 Cb 0.21 -1.01 0.06 0.00 0.21 0.00 0.00 66.02 65.48 2iuf s SER 580 CO 0.42 -0.01 0.61 -0.62 0.41 0.00 0.00 173.24 174.05 2iuf s ASP 581 N -3.73 -0.58 0.41 2.44 2.15 -1.26 -4.98 116.67 111.12 2iuf s ASP 581 Ca 0.32 0.67 0.19 0.00 0.43 0.00 0.00 52.55 54.16 2iuf s ASP 581 Cb -0.07 0.59 1.11 0.00 -0.30 0.00 0.00 42.92 44.25 2iuf s ASP 581 CO 0.21 -0.54 1.79 0.00 -0.17 0.00 0.00 175.17 176.47 2iuf h ALA 582 N 3.40 2.25 0.00 3.66 0.00 -1.90 -1.30 119.26 125.38 2iuf h ALA 582 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2iuf h ALA 582 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2iuf h ALA 582 CO 0.36 -0.63 0.00 1.33 0.00 0.00 0.00 179.25 180.31 2iuf n VAL 583 N -4.58 0.97 0.52 0.00 0.24 -1.26 -1.73 118.33 112.48 2iuf n VAL 583 Ca 0.24 0.24 0.13 0.00 -2.04 0.00 0.00 64.34 62.91 2iuf n VAL 583 Cb 0.85 -1.03 0.40 0.00 -1.47 0.00 0.00 33.84 32.59 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 -5.05 7.34 4.20 -1.66 -3.47 115.11 116.48 2iuf h GLN 584 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2iuf h GLN 584 Cb 0.17 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.63 2iuf h GLN 584 CO 0.00 0.00 -0.84 -0.06 -0.67 0.00 0.00 178.83 177.26 2iuf s PHE 585 N -3.18 1.78 0.00 2.96 0.08 -0.71 -4.83 117.98 114.08 2iuf s PHE 585 Ca 0.09 -0.61 0.16 0.00 0.12 0.00 0.00 56.93 56.69 2iuf s PHE 585 Cb 0.11 -1.23 0.29 0.00 -0.57 0.00 0.00 43.02 41.62 2iuf s PHE 585 CO 0.57 -0.25 1.55 -0.44 -0.10 0.00 0.00 175.22 176.54 2iuf h ASP 586 N 6.58 0.00 -4.55 1.36 3.32 -0.46 -3.45 116.42 119.22 2iuf h ASP 586 Ca -0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.51 2iuf h ASP 586 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 2iuf h ASP 586 CO 0.48 0.50 -0.72 0.00 -1.72 0.00 0.00 179.24 177.77 2iuf s ALA 587 N -3.20 0.32 -0.10 3.45 0.00 -0.90 -3.76 121.76 117.57 2iuf s ALA 587 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2iuf s ALA 587 Cb 0.09 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.27 2iuf s ALA 587 CO 0.73 -0.04 -0.17 0.08 0.00 0.00 0.00 175.76 176.35 2iuf s VAL 588 N -1.01 1.60 -0.08 0.00 1.01 -0.59 -0.15 120.40 121.18 2iuf s VAL 588 Ca -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2iuf s VAL 588 Cb -0.07 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2iuf s VAL 588 CO -0.00 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 2iuf s VAL 589 N 0.76 1.42 -0.20 2.92 1.01 0.11 -0.48 120.40 125.95 2iuf s VAL 589 Ca -0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 2iuf s VAL 589 Cb -0.16 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2iuf s VAL 589 CO 0.02 0.42 0.74 -0.69 0.00 0.00 0.00 175.10 175.58 2iuf s VAL 590 N 0.66 4.94 0.56 2.92 1.01 -0.01 -0.58 120.40 129.91 2iuf s VAL 590 Ca -0.14 1.41 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 2iuf s VAL 590 Cb -0.16 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2iuf s VAL 590 CO 0.04 0.04 1.06 0.00 0.00 0.00 0.00 175.10 176.24 2iuf s ALA 591 N 2.20 2.76 -0.07 5.51 0.00 -0.14 -1.14 121.76 130.87 2iuf s ALA 591 Ca 0.33 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 2iuf s ALA 591 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2iuf s ALA 591 CO 0.10 -0.69 1.51 0.34 0.00 0.00 0.00 175.76 177.02 2iuf s ASP 592 N -2.52 6.77 0.00 0.00 2.15 -1.19 -1.83 116.67 120.06 2iuf s ASP 592 Ca 0.65 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.71 2iuf s ASP 592 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2iuf s ASP 592 CO 0.32 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 2iuf n GLY 593 N 3.92 0.55 0.21 2.66 0.00 -1.26 -3.89 105.19 107.38 2iuf n GLY 593 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.48 3.24 0.18 4.61 0.00 -0.76 -4.46 120.51 121.84 2iuf n ALA 594 Ca 0.00 -0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.18 2iuf n ALA 594 Cb 0.00 -1.10 0.75 0.00 0.00 0.00 0.00 19.45 19.10 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 1.02 0.00 0.00 0.00 9.09 -1.85 -1.49 114.58 121.35 2iuf h GLU 595 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2iuf h GLU 595 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2iuf h GLU 595 CO 0.00 0.00 0.00 0.78 0.05 0.00 0.00 179.01 179.84 2iuf h GLY 596 N 0.00 0.00 1.13 1.06 0.00 -1.95 -2.12 103.07 101.19 2iuf h GLY 596 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2iuf h GLY 596 CO -0.00 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 177.54 2iuf n LEU 597 N -2.53 0.22 -1.08 3.11 4.77 -0.56 -4.27 117.00 116.66 2iuf n LEU 597 Ca -0.01 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2iuf n LEU 597 Cb 0.11 -0.17 0.20 0.00 -2.33 0.00 0.00 43.42 41.22 2iuf n LEU 597 CO 0.16 0.04 0.65 0.49 -1.33 0.00 0.00 177.39 177.39 2iuf n PHE 598 N -1.05 0.93 -1.99 -1.77 3.01 -0.80 -4.48 117.46 111.31 2iuf n PHE 598 Ca 0.17 -1.58 -0.41 0.00 1.01 0.00 0.00 57.45 56.64 2iuf n PHE 598 Cb 0.23 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.63 2.73 0.52 1.37 0.00 -1.26 -4.67 107.32 103.39 2iuf s GLY 599 Ca 0.44 1.38 0.35 0.00 0.00 0.00 0.00 44.72 46.89 2iuf s GLY 599 CO -0.01 2.15 2.07 0.00 0.00 0.00 0.00 173.10 177.31 2iuf h ALA 600 N 3.87 1.00 -0.05 3.20 0.00 -1.97 -0.46 119.26 124.85 2iuf h ALA 600 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2iuf h ALA 600 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2iuf h ALA 600 CO 0.70 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.70 2iuf n ASP 601 N -2.78 1.45 0.28 0.00 9.92 -1.26 -4.42 116.55 119.75 2iuf n ASP 601 Ca -0.02 -1.52 0.18 0.00 -0.53 0.00 0.00 54.79 52.90 2iuf n ASP 601 Cb 0.10 -0.02 0.72 0.00 -0.64 0.00 0.00 41.12 41.27 2iuf n ASP 601 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2iuf h SER 602 N 2.19 0.00 0.67 -2.24 4.64 -1.44 -2.15 113.55 115.22 2iuf h SER 602 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2iuf h SER 602 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2iuf h SER 602 CO 0.00 0.00 -0.69 -0.26 -0.87 0.00 0.00 176.83 175.01 2iuf h PHE 603 N 0.00 0.02 0.00 4.77 0.05 -1.80 -2.76 116.94 117.22 2iuf h PHE 603 Ca 0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 2iuf h PHE 603 Cb 0.48 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.43 2iuf h PHE 603 CO 0.00 0.70 0.00 0.25 -0.18 0.00 0.00 178.31 179.08 2iuf n THR 604 N -3.73 0.00 -1.67 -1.55 -2.24 -1.01 -4.78 114.28 99.31 2iuf n THR 604 Ca -0.01 -0.37 -0.45 0.00 -2.27 0.00 0.00 64.05 60.95 2iuf n THR 604 Cb 0.68 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 2iuf n THR 604 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2iuf n VAL 605 N -0.18 0.67 -2.24 2.28 0.31 -0.84 -4.91 118.33 113.42 2iuf n VAL 605 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2iuf n VAL 605 Cb 0.05 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 2iuf n VAL 605 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2iuf s GLU 606 N -0.04 4.26 -1.49 5.55 2.12 -1.26 -4.91 118.70 122.93 2iuf s GLU 606 Ca 0.72 1.92 -0.11 0.00 0.36 0.00 0.00 54.97 57.86 2iuf s GLU 606 Cb -0.67 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.05 2iuf s GLU 606 CO 0.47 -0.64 2.51 -0.35 -0.54 0.00 0.00 175.26 176.71 2iuf n PRO 607 N 5.91 3.50 -1.45 4.30 -0.04 -1.26 -4.78 135.00 141.17 2iuf n PRO 607 Ca 0.14 -2.65 -0.30 0.00 -0.04 0.00 0.00 63.50 60.66 2iuf n PRO 607 Cb 0.44 -2.97 0.12 0.00 -0.04 0.00 0.00 33.50 31.05 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 2.17 3.93 0.49 3.54 1.04 -1.26 -4.89 113.70 118.72 2iuf s SER 608 Ca 0.56 1.26 0.16 0.00 0.48 0.00 0.00 55.95 58.41 2iuf s SER 608 Cb 0.16 -1.94 1.19 0.00 0.10 0.00 0.00 66.02 65.52 2iuf s SER 608 CO -0.07 -2.32 2.07 0.00 0.98 0.00 0.00 173.24 173.90 2iuf h ALA 609 N -1.33 2.08 -0.01 5.32 0.00 -2.00 -0.82 119.26 122.50 2iuf h ALA 609 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2iuf h ALA 609 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2iuf h ALA 609 CO 0.59 -0.14 -0.10 0.41 0.00 0.00 0.00 179.25 180.01 2iuf n GLY 610 N -1.55 -0.54 0.16 0.00 0.00 -1.26 -4.40 105.19 97.60 2iuf n GLY 610 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 1.27 0.00 0.00 1.61 4.64 -1.45 -3.46 113.55 116.16 2iuf h SER 611 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuf h SER 611 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2iuf h SER 611 CO 0.00 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 2iuf n GLY 612 N 0.60 0.65 3.76 -0.77 0.00 -1.26 -4.99 105.19 103.17 2iuf n GLY 612 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.32 3.61 0.30 4.61 0.00 -1.26 -4.96 121.76 121.73 2iuf s ALA 613 Ca 0.00 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 2iuf s ALA 613 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2iuf s ALA 613 CO 0.00 -0.79 0.98 0.45 0.00 0.00 0.00 175.76 176.40 2iuf s SER 614 N 0.12 7.35 0.00 0.00 0.15 -1.26 -4.93 113.70 115.14 2iuf s SER 614 Ca 0.57 1.97 0.27 0.00 0.70 0.00 0.00 55.95 59.46 2iuf s SER 614 Cb -0.43 -2.60 0.81 0.00 -1.71 0.00 0.00 66.02 62.09 2iuf s SER 614 CO 0.49 -0.06 1.61 0.35 1.20 0.00 0.00 173.24 176.82 2iuf n THR 615 N 0.89 0.00 1.10 6.45 -2.24 -1.26 -4.25 114.28 114.96 2iuf n THR 615 Ca 0.01 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.62 2iuf n THR 615 Cb 0.48 0.74 0.48 0.00 -2.10 0.00 0.00 70.33 69.93 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 0.38 0.29 -3.45 3.22 4.77 -1.26 -4.88 117.00 116.07 2iuf n LEU 616 Ca 0.17 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 2iuf n LEU 616 Cb 0.41 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2iuf n LEU 616 CO 0.17 0.07 0.44 -0.72 -1.33 0.00 0.00 177.39 176.02 2iuf s TYR 617 N -2.87 -0.54 0.59 -1.77 -0.85 -1.26 -4.10 117.35 106.54 2iuf s TYR 617 Ca 0.16 0.47 -0.20 0.00 -0.52 0.00 0.00 57.07 56.98 2iuf s TYR 617 Cb 0.19 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 43.02 2iuf s TYR 617 CO 0.58 -0.77 1.34 -2.14 -1.52 0.00 0.00 175.55 173.04 2iuf s PRO 618 N -3.17 2.89 -0.06 -3.49 0.02 -1.26 -4.80 135.00 125.13 2iuf s PRO 618 Ca -0.01 2.19 -0.38 0.00 0.02 0.00 0.00 61.00 62.83 2iuf s PRO 618 Cb -0.01 -2.09 -0.16 0.00 0.02 0.00 0.00 34.50 32.26 2iuf s PRO 618 CO -0.08 -1.38 1.54 0.00 -0.33 0.00 0.00 177.00 176.75 2iuf n ALA 619 N -1.39 -0.44 -0.80 -1.55 0.00 -1.26 -1.49 120.51 113.59 2iuf n ALA 619 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2iuf n ALA 619 Cb 0.46 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 3.32 0.84 0.18 0.00 0.00 -1.04 -4.68 105.19 103.80 2iuf n GLY 620 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 3.05 0.13 -0.38 1.61 9.65 -1.60 0.89 114.38 127.73 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 0.20 -1.35 2.80 0.00 0.00 179.97 181.70 2iuf h PRO 622 N 0.13 0.39 -0.16 0.20 0.11 -1.85 -1.56 132.00 129.26 2iuf h PRO 622 Ca 0.21 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 2iuf h PRO 622 Cb 0.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2iuf h PRO 622 CO -0.34 0.26 -0.44 1.25 -0.21 0.00 0.00 178.00 178.52 2iuf h LEU 623 N 0.40 0.42 -0.84 2.35 5.85 -1.66 -2.60 115.31 119.24 2iuf h LEU 623 Ca 0.16 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2iuf h LEU 623 Cb 0.06 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2iuf h LEU 623 CO -0.11 0.81 0.54 -1.13 -0.34 0.00 0.00 178.44 178.21 2iuf h ASN 624 N 0.32 0.92 -0.37 1.25 -1.24 -0.46 0.25 115.58 116.25 2iuf h ASN 624 Ca 0.02 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 2iuf h ASN 624 Cb 0.90 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 2iuf h ASN 624 CO 0.08 0.64 0.16 0.40 -1.29 0.00 0.00 177.43 177.42 2iuf h ILE 625 N 1.08 1.18 -0.25 2.57 2.04 -0.94 -0.10 117.51 123.09 2iuf h ILE 625 Ca 0.32 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2iuf h ILE 625 Cb -0.04 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2iuf h ILE 625 CO -0.10 0.20 0.09 0.25 0.00 0.00 0.00 178.15 178.59 2iuf h LEU 626 N 0.45 0.36 -0.43 1.44 5.85 -1.11 -0.86 115.31 121.01 2iuf h LEU 626 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2iuf h LEU 626 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2iuf h LEU 626 CO -0.01 0.45 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.44 2iuf h LEU 627 N 0.25 0.77 -0.56 2.25 3.38 -0.86 -1.57 115.31 118.96 2iuf h LEU 627 Ca 0.08 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2iuf h LEU 627 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2iuf h LEU 627 CO -0.00 0.91 0.35 0.44 0.09 0.00 0.00 178.44 180.22 2iuf h ASP 628 N 0.61 0.67 -0.51 -0.43 3.32 -0.97 0.38 116.42 119.48 2iuf h ASP 628 Ca 0.12 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.18 2iuf h ASP 628 Cb 0.53 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2iuf h ASP 628 CO 0.03 0.51 0.22 0.00 -1.72 0.00 0.00 179.24 178.28 2iuf h ALA 629 N 1.18 0.64 0.21 3.45 0.00 -0.97 -0.74 119.26 123.03 2iuf h ALA 629 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2iuf h ALA 629 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2iuf h ALA 629 CO -0.04 -0.15 -0.10 0.35 0.00 0.00 0.00 179.25 179.31 2iuf h PHE 630 N 0.44 -0.26 -0.22 0.00 3.57 -0.92 -1.72 116.94 117.83 2iuf h PHE 630 Ca 0.23 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2iuf h PHE 630 Cb 0.19 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2iuf h PHE 630 CO -0.13 0.00 0.11 0.00 -2.23 0.00 0.00 178.31 176.07 2iuf h ARG 631 N -0.50 0.30 0.00 1.11 3.08 -0.71 -1.13 114.38 116.53 2iuf h ARG 631 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2iuf h ARG 631 Cb 0.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2iuf h ARG 631 CO 0.05 0.23 0.00 1.19 -1.07 0.00 0.00 179.97 180.37 2iuf n PHE 632 N -4.47 0.00 -0.25 3.04 3.72 -0.30 -4.92 117.46 114.28 2iuf n PHE 632 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2iuf n PHE 632 Cb 0.10 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 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 1.06 0.87 3.83 1.37 0.00 -0.43 -4.80 105.19 107.09 2iuf n GLY 633 Ca 0.10 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.68 3.51 0.08 1.61 1.02 -0.66 -0.89 119.74 123.72 2iuf s LYS 634 Ca 0.00 1.01 -0.35 0.00 0.02 0.00 0.00 55.97 56.65 2iuf s LYS 634 Cb 0.00 -2.07 -0.14 0.00 -0.52 0.00 0.00 37.83 35.10 2iuf s LYS 634 CO 0.00 -0.64 1.62 2.41 -0.92 0.00 0.00 175.35 177.82 2iuf n THR 635 N -2.17 0.14 -4.82 2.17 -1.04 -1.25 -4.67 114.28 102.64 2iuf n THR 635 Ca 0.07 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.81 2iuf n THR 635 Cb 0.54 -1.50 -0.15 0.00 -1.82 0.00 0.00 70.33 67.40 2iuf n THR 635 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2iuf s VAL 636 N 1.65 1.36 0.24 12.58 1.01 -0.26 -1.53 120.40 135.46 2iuf s VAL 636 Ca 0.83 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2iuf s VAL 636 Cb -0.74 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2iuf s VAL 636 CO 0.43 0.39 0.24 -0.83 0.00 0.00 0.00 175.10 175.33 2iuf s GLY 637 N -0.38 1.48 -0.21 4.51 0.00 0.37 -0.97 107.32 112.13 2iuf s GLY 637 Ca 0.06 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.98 2iuf s GLY 637 CO -0.01 -1.26 0.53 0.00 0.00 0.00 0.00 173.10 172.37 2iuf s ALA 638 N -3.90 -1.35 -0.19 3.20 0.00 -0.61 -0.83 121.76 118.09 2iuf s ALA 638 Ca 0.36 1.63 -0.07 0.00 0.00 0.00 0.00 51.96 53.89 2iuf s ALA 638 Cb 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2iuf s ALA 638 CO 0.15 -0.27 0.05 -0.51 0.00 0.00 0.00 175.76 175.18 2iuf s LEU 639 N 0.65 3.71 0.00 0.00 1.43 -0.30 -2.30 118.68 121.88 2iuf s LEU 639 Ca -0.03 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2iuf s LEU 639 Cb -0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2iuf s LEU 639 CO -0.04 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2iuf n GLY 640 N 3.67 3.24 0.00 -3.19 0.00 -0.50 0.07 105.19 108.48 2iuf n GLY 640 Ca -0.17 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 2.79 0.00 0.28 1.61 7.64 -1.26 -2.01 113.62 122.67 2iuf n SER 641 Ca 0.00 -0.06 0.18 0.00 1.01 0.00 0.00 58.87 60.00 2iuf n SER 641 Cb 0.00 -0.23 0.89 0.00 -1.01 0.00 0.00 64.21 63.86 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 2.69 0.00 2.00 0.23 0.00 -0.53 -0.50 103.07 106.96 2iuf h GLY 642 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2iuf h GLY 642 CO 0.00 0.00 -0.04 1.48 0.00 0.00 0.00 176.54 177.98 2iuf h SER 643 N 0.00 0.00 -0.36 0.19 4.64 -1.55 -0.85 113.55 115.62 2iuf h SER 643 Ca 0.04 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2iuf h SER 643 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2iuf h SER 643 CO -0.00 0.04 0.25 0.44 -0.87 0.00 0.00 176.83 176.69 2iuf h ASP 644 N 0.00 0.18 -0.57 4.97 5.19 -1.34 -1.46 116.42 123.39 2iuf h ASP 644 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2iuf h ASP 644 Cb 0.15 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 2iuf h ASP 644 CO 0.00 0.12 0.20 0.00 -3.12 0.00 0.00 179.24 176.45 2iuf h ALA 645 N 1.81 1.22 -0.77 3.45 0.00 -1.35 -0.89 119.26 122.72 2iuf h ALA 645 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2iuf h ALA 645 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2iuf h ALA 645 CO -0.03 0.56 0.48 -0.07 0.00 0.00 0.00 179.25 180.19 2iuf h LEU 646 N 0.88 0.92 -0.60 0.00 3.38 -1.38 -0.86 115.31 117.65 2iuf h LEU 646 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2iuf h LEU 646 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2iuf h LEU 646 CO -0.01 0.69 0.23 -0.33 0.09 0.00 0.00 178.44 179.11 2iuf h GLU 647 N 1.06 0.90 -0.70 1.13 5.08 -1.21 0.51 114.58 121.35 2iuf h GLU 647 Ca 0.28 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2iuf h GLU 647 Cb -0.07 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 2iuf h GLU 647 CO -0.06 0.78 0.46 0.77 -1.00 0.00 0.00 179.01 179.97 2iuf h SER 648 N 0.83 0.76 -0.06 1.42 0.02 -0.72 -0.84 113.55 114.95 2iuf h SER 648 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2iuf h SER 648 Cb 0.22 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2iuf h SER 648 CO -0.01 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 2iuf n GLY 649 N -1.43 -0.34 3.75 -3.77 0.00 -0.37 -4.54 105.19 98.48 2iuf n GLY 649 Ca 0.08 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.23 -6.81 -3.90 1.61 6.02 -0.32 -4.98 117.38 108.75 2iuf n GLN 650 Ca 0.17 0.72 -0.35 0.00 -0.01 0.00 0.00 57.00 57.53 2iuf n GLN 650 Cb 0.22 -5.70 -0.14 0.00 1.02 0.00 0.00 30.24 25.64 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 -3.31 3.37 -0.06 5.09 1.01 0.08 -5.03 121.20 122.35 2iuf s ILE 651 Ca 0.62 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 2iuf s ILE 651 Cb -0.29 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 2iuf s ILE 651 CO 0.78 0.40 0.38 -0.55 0.00 0.00 0.00 174.94 175.95 2iuf s SER 652 N 1.47 6.69 0.00 3.58 0.15 -1.26 -4.08 113.70 120.25 2iuf s SER 652 Ca 0.06 0.82 0.18 0.00 0.70 0.00 0.00 55.95 57.70 2iuf s SER 652 Cb -0.14 -2.23 0.92 0.00 -1.71 0.00 0.00 66.02 62.85 2iuf s SER 652 CO -0.03 0.23 1.55 -1.54 1.20 0.00 0.00 173.24 174.65 2iuf n SER 653 N 2.51 0.00 0.26 5.45 3.41 -1.26 -1.40 113.62 122.58 2iuf n SER 653 Ca -0.13 0.03 0.14 0.00 -0.26 0.00 0.00 58.87 58.65 2iuf n SER 653 Cb 0.52 -0.29 0.61 0.00 -0.26 0.00 0.00 64.21 64.79 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 -7.11 4.33 4.39 -1.93 -3.44 114.58 110.82 2iuf h GLU 654 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2iuf h GLU 654 Cb 0.17 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.91 2iuf h GLU 654 CO 0.00 0.10 0.42 1.03 -1.16 0.00 0.00 179.01 179.40 2iuf s ARG 655 N -3.72 3.19 0.34 2.33 1.81 -0.49 -4.98 118.95 117.43 2iuf s ARG 655 Ca 0.00 1.58 -0.29 0.00 -1.72 0.00 0.00 55.73 55.31 2iuf s ARG 655 Cb 0.10 -1.99 -0.10 0.00 -0.45 0.00 0.00 34.95 32.51 2iuf s ARG 655 CO 0.58 -0.98 1.35 -0.65 -0.68 0.00 0.00 175.30 174.93 2iuf s GLN 656 N -3.48 4.30 -0.30 3.54 -1.52 -1.26 -2.70 119.66 118.23 2iuf s GLN 656 Ca 0.72 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 56.43 2iuf s GLN 656 Cb -0.24 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 2iuf s GLN 656 CO 0.31 -0.28 0.00 0.41 -0.25 0.00 0.00 175.29 175.48 2iuf n GLY 657 N 0.80 0.61 3.08 3.09 0.00 -1.26 -4.99 105.19 106.51 2iuf n GLY 657 Ca 0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.07 1.72 -0.02 1.61 1.01 -1.10 -1.10 120.40 120.45 2iuf s VAL 658 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2iuf s VAL 658 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2iuf s VAL 658 CO 0.00 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.11 2iuf s TYR 659 N 1.17 1.47 0.17 5.22 2.02 -0.14 -4.77 117.35 122.51 2iuf s TYR 659 Ca -0.01 -0.31 0.09 0.00 -0.37 0.00 0.00 57.07 56.47 2iuf s TYR 659 Cb -0.14 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2iuf s TYR 659 CO -0.07 -0.05 -0.18 0.95 -1.57 0.00 0.00 175.55 174.63 2iuf s THR 660 N -0.29 1.87 0.28 -0.71 -4.23 -1.26 -1.57 115.64 109.73 2iuf s THR 660 Ca 0.04 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 2iuf s THR 660 Cb -0.07 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.89 2iuf s THR 660 CO -0.00 -0.32 0.60 -0.83 -0.54 0.00 0.00 174.62 173.53 2iuf s GLY 661 N -2.73 0.35 0.10 3.99 0.00 -0.97 -4.97 107.32 103.09 2iuf s GLY 661 Ca 0.17 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 2iuf s GLY 661 CO 0.07 -0.42 1.22 1.70 0.00 0.00 0.00 173.10 175.67 2iuf h LYS 662 N 2.13 0.41 -2.82 2.90 3.64 -1.96 -1.31 116.57 119.56 2iuf h LYS 662 Ca -0.24 -0.53 0.06 0.00 -1.27 0.00 0.00 60.65 58.67 2iuf h LYS 662 Cb 1.25 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 2iuf h LYS 662 CO 0.31 1.19 0.36 0.54 -2.27 0.00 0.00 179.45 179.59 2iuf s ASN 663 N -7.17 -0.07 -0.06 4.20 2.20 -1.26 -3.86 114.94 108.92 2iuf s ASN 663 Ca -0.06 -0.85 0.03 0.00 -0.94 0.00 0.00 52.86 51.04 2iuf s ASN 663 Cb 0.08 0.71 0.19 0.00 -2.00 0.00 0.00 41.25 40.23 2iuf s ASN 663 CO 0.89 -1.38 0.82 0.00 -2.94 0.00 0.00 177.10 174.48 2iuf n ALA 664 N -0.55 2.85 -1.09 3.54 0.00 -1.26 -4.58 120.51 119.42 2iuf n ALA 664 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2iuf n ALA 664 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.15 -0.71 0.33 0.00 0.00 -1.26 -3.78 105.19 99.92 2iuf n GLY 665 Ca 0.07 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 0.68 -0.26 1.61 3.32 -1.94 -2.04 116.42 117.79 2iuf h ASP 666 Ca 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2iuf h ASP 666 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2iuf h ASP 666 CO 0.00 0.49 0.15 0.00 -1.72 0.00 0.00 179.24 178.16 2iuf h ALA 667 N 1.63 0.34 -0.28 3.45 0.00 -1.93 -0.76 119.26 121.71 2iuf h ALA 667 Ca 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2iuf h ALA 667 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2iuf h ALA 667 CO -0.05 -0.14 -0.11 0.35 0.00 0.00 0.00 179.25 179.31 2iuf h PHE 668 N 0.32 0.64 -0.92 0.00 3.57 -1.77 -3.00 116.94 115.78 2iuf h PHE 668 Ca 0.09 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.54 2iuf h PHE 668 Cb 0.05 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.57 2iuf h PHE 668 CO -0.04 0.79 0.59 0.00 -2.23 0.00 0.00 178.31 177.43 2iuf h ALA 669 N 0.76 1.61 -0.47 2.41 0.00 -1.24 -0.51 119.26 121.82 2iuf h ALA 669 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2iuf h ALA 669 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2iuf h ALA 669 CO 0.04 0.20 0.29 -0.22 0.00 0.00 0.00 179.25 179.55 2iuf h LYS 670 N 0.92 0.62 -0.60 0.00 3.64 -1.00 0.01 116.57 120.17 2iuf h LYS 670 Ca 0.43 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 2iuf h LYS 670 Cb 0.43 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2iuf h LYS 670 CO -0.20 0.44 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.96 2iuf h ASP 671 N 0.62 1.04 -0.50 4.20 3.32 -1.24 -1.05 116.42 122.81 2iuf h ASP 671 Ca 0.17 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 2iuf h ASP 671 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2iuf h ASP 671 CO -0.03 1.10 0.05 0.40 -1.72 0.00 0.00 179.24 179.03 2iuf h ILE 672 N 0.96 1.25 -0.83 0.35 1.08 -0.75 -1.19 117.51 118.38 2iuf h ILE 672 Ca 0.17 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2iuf h ILE 672 Cb 0.58 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 2iuf h ILE 672 CO 0.03 0.36 0.51 0.11 -0.69 0.00 0.00 178.15 178.48 2iuf h LYS 673 N 0.85 1.12 -0.35 2.37 1.57 -0.77 0.29 116.57 121.64 2iuf h LYS 673 Ca 0.17 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2iuf h LYS 673 Cb 0.44 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2iuf h LYS 673 CO 0.02 0.78 0.17 1.03 -0.57 0.00 0.00 179.45 180.88 2iuf h SER 674 N 1.14 0.26 -0.27 0.86 0.87 -0.66 -1.09 113.55 114.65 2iuf h SER 674 Ca 0.30 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2iuf h SER 674 Cb -0.06 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2iuf h SER 674 CO -0.06 0.19 0.13 1.23 -0.53 0.00 0.00 176.83 177.79 2iuf h GLY 675 N 0.36 0.36 1.23 5.77 0.00 -0.82 -2.25 103.07 107.72 2iuf h GLY 675 Ca 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2iuf h GLY 675 CO -0.10 0.07 0.17 1.41 0.00 0.00 0.00 176.54 178.09 2iuf h LEU 676 N 0.28 0.90 -1.05 3.11 3.38 -0.79 0.69 115.31 121.83 2iuf h LEU 676 Ca 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2iuf h LEU 676 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2iuf h LEU 676 CO -0.08 0.87 0.26 0.28 0.09 0.00 0.00 178.44 179.86 2iuf h SER 677 N 0.93 0.86 -0.19 -0.43 0.02 -1.00 -1.76 113.55 111.98 2iuf h SER 677 Ca 0.20 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2iuf h SER 677 Cb 0.30 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2iuf h SER 677 CO -0.00 0.76 -0.29 0.74 -1.14 0.00 0.00 176.83 176.90 2iuf h THR 678 N 0.92 1.28 0.00 -2.27 2.02 -0.90 -0.28 112.91 113.69 2iuf h THR 678 Ca 0.22 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2iuf h THR 678 Cb 0.17 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2iuf h THR 678 CO -0.02 0.46 0.00 0.33 0.37 0.00 0.00 175.52 176.66 2iuf n PHE 679 N -4.08 0.00 -4.05 3.16 7.35 0.19 -4.76 117.46 115.27 2iuf n PHE 679 Ca -0.01 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 2iuf n PHE 679 Cb 0.46 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.14 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 0.41 -0.64 -4.13 2.20 -1.26 -4.41 119.74 111.91 2iuf s LYS 680 Ca 0.00 -0.05 -0.19 0.00 -0.36 0.00 0.00 55.97 55.37 2iuf s LYS 680 Cb 0.00 -0.47 0.11 0.00 -1.51 0.00 0.00 37.83 35.96 2iuf s LYS 680 CO 0.00 -0.03 0.75 -0.06 -0.36 0.00 0.00 175.35 175.65 2iuf s PHE 681 N 0.51 3.06 -0.44 4.03 0.08 -0.07 -4.93 117.98 120.23 2iuf s PHE 681 Ca -0.05 -1.08 0.26 0.00 0.12 0.00 0.00 56.93 56.18 2iuf s PHE 681 Cb -0.09 -4.03 0.97 0.00 -0.57 0.00 0.00 43.02 39.31 2iuf s PHE 681 CO -0.01 -1.29 1.77 -0.07 -0.10 0.00 0.00 175.22 175.52 2iuf h LEU 682 N 9.85 0.00 0.00 -0.37 3.38 -1.97 -2.97 115.31 123.23 2iuf h LEU 682 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2iuf h LEU 682 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2iuf h LEU 682 CO 1.08 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.71 2iuf n ASP 683 N -2.43 0.00 -0.54 -0.43 3.85 -1.26 -2.44 116.55 113.30 2iuf n ASP 683 Ca 0.03 -0.52 0.10 0.00 -0.71 0.00 0.00 54.79 53.68 2iuf n ASP 683 Cb 0.30 -0.05 0.35 0.00 -1.35 0.00 0.00 41.12 40.38 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 -1.05 1.71 -4.83 0.11 1.74 -1.12 -4.83 116.66 108.39 2iuf n ARG 684 Ca 0.14 -1.07 -0.32 0.00 -0.77 0.00 0.00 57.85 55.83 2iuf n ARG 684 Cb 0.09 -1.37 -0.17 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.77 2.64 0.53 -1.55 0.08 -1.02 -5.03 117.98 111.87 2iuf s PHE 685 Ca 0.31 -1.24 -0.21 0.00 0.12 0.00 0.00 56.93 55.91 2iuf s PHE 685 Cb 0.17 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2iuf s PHE 685 CO 0.25 -0.55 1.24 0.00 -0.10 0.00 0.00 175.22 176.06 2iuf s ALA 686 N 0.67 2.79 -0.01 5.36 0.00 -1.26 -5.03 121.76 124.28 2iuf s ALA 686 Ca -0.11 1.09 0.04 0.00 0.00 0.00 0.00 51.96 52.99 2iuf s ALA 686 Cb -0.16 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2iuf s ALA 686 CO 0.01 -1.05 -0.14 0.08 0.00 0.00 0.00 175.76 174.67 2iuf s VAL 687 N -1.48 1.09 0.54 0.00 1.01 -1.26 -5.01 120.40 115.29 2iuf s VAL 687 Ca 0.70 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2iuf s VAL 687 Cb -0.33 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2iuf s VAL 687 CO 0.38 0.28 1.36 0.47 0.00 0.00 0.00 175.10 177.59 2iuf n ASP 688 N 2.67 2.70 -0.20 3.32 8.00 -1.26 -5.18 116.55 126.60 2iuf n ASP 688 Ca -0.14 0.98 0.02 0.00 0.71 0.00 0.00 54.79 56.36 2iuf n ASP 688 Cb 0.55 -1.58 0.02 0.00 -0.02 0.00 0.00 41.12 40.10 2iuf n ASP 688 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19