#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixa s SER 2 N 0.00 6.76 0.12 1.61 0.15 -1.26 -4.10 113.70 116.97 3ixa s SER 2 Ca 0.00 1.37 -0.03 0.00 0.70 0.00 0.00 55.95 57.99 3ixa s SER 2 Cb 0.00 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 3ixa s SER 2 CO 0.00 -0.30 0.09 -1.00 1.20 0.00 0.00 173.24 173.23 3ixa s HIS 3 N -2.13 0.64 -0.01 3.44 3.76 -0.28 -4.98 115.29 115.73 3ixa s HIS 3 Ca 0.56 -1.06 -0.05 0.00 -0.15 0.00 0.00 55.06 54.36 3ixa s HIS 3 Cb -0.10 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.24 3ixa s HIS 3 CO 0.19 -0.53 0.11 -1.54 -0.85 0.00 0.00 174.74 172.12 3ixa s SER 4 N -2.99 0.02 -0.04 1.40 1.04 -1.26 -0.35 113.70 111.52 3ixa s SER 4 Ca 0.17 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.53 3ixa s SER 4 Cb 0.07 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3ixa s SER 4 CO -0.02 -0.28 -0.25 -0.32 0.98 0.00 0.00 173.24 173.34 3ixa s MET 5 N -1.05 2.29 -0.02 4.02 -2.45 -0.68 -1.03 119.30 120.39 3ixa s MET 5 Ca -0.11 -0.91 -0.03 0.00 -1.25 0.00 0.00 55.69 53.39 3ixa s MET 5 Cb -0.06 -2.07 0.00 0.00 1.25 0.00 0.00 34.83 33.95 3ixa s MET 5 CO 0.01 0.47 0.06 1.03 1.05 0.00 0.00 175.02 177.64 3ixa s ARG 6 N -0.39 0.14 -0.03 4.11 0.52 -0.50 -2.11 118.95 120.69 3ixa s ARG 6 Ca 0.03 -0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 3ixa s ARG 6 Cb -0.12 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 3ixa s ARG 6 CO 0.01 -0.02 -0.19 0.71 0.02 0.00 0.00 175.30 175.83 3ixa s TYR 7 N -0.25 2.56 -0.04 -0.53 1.51 -0.26 -0.75 117.35 119.60 3ixa s TYR 7 Ca -0.03 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3ixa s TYR 7 Cb -0.02 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 3ixa s TYR 7 CO 0.00 0.11 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.29 3ixa s PHE 8 N -0.70 1.95 -0.02 2.71 0.40 0.79 -2.38 117.98 120.72 3ixa s PHE 8 Ca 0.11 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3ixa s PHE 8 Cb -0.10 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.16 3ixa s PHE 8 CO 0.00 -0.13 -0.04 -0.06 0.70 0.00 0.00 175.22 175.69 3ixa s PHE 9 N -0.19 0.57 -0.06 0.36 0.40 0.33 -1.29 117.98 118.10 3ixa s PHE 9 Ca 0.00 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3ixa s PHE 9 Cb -0.11 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 42.97 3ixa s PHE 9 CO 0.02 -0.10 -0.05 0.99 0.70 0.00 0.00 175.22 176.78 3ixa s THR 10 N 0.45 0.65 -0.07 0.64 2.01 -0.42 -0.80 115.64 118.11 3ixa s THR 10 Ca -0.05 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.84 3ixa s THR 10 Cb -0.09 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 3ixa s THR 10 CO -0.00 0.26 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.52 3ixa s SER 11 N 1.09 3.25 -0.15 3.53 0.01 0.16 -1.28 113.70 120.32 3ixa s SER 11 Ca -0.08 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 3ixa s SER 11 Cb -0.14 -0.95 0.04 0.00 0.21 0.00 0.00 66.02 65.18 3ixa s SER 11 CO -0.01 0.24 -0.03 -0.69 0.41 0.00 0.00 173.24 173.16 3ixa s VAL 12 N -0.14 0.90 0.31 3.43 1.01 -0.05 -0.48 120.40 125.38 3ixa s VAL 12 Ca -0.04 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 3ixa s VAL 12 Cb -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 3ixa s VAL 12 CO 0.04 0.13 1.06 -0.94 0.00 0.00 0.00 175.10 175.39 3ixa s SER 13 N 1.73 7.17 -0.48 3.32 1.04 -0.06 -1.26 113.70 125.15 3ixa s SER 13 Ca 0.02 2.16 0.05 0.00 0.48 0.00 0.00 55.95 58.66 3ixa s SER 13 Cb -0.15 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.55 3ixa s SER 13 CO -0.07 -0.21 0.43 -2.11 0.98 0.00 0.00 173.24 172.26 3ixa n ARG 14 N 0.85 0.75 -2.00 4.02 1.85 -1.26 -4.03 116.66 116.85 3ixa n ARG 14 Ca 0.01 -3.54 -0.40 0.00 -1.00 0.00 0.00 57.85 52.92 3ixa n ARG 14 Cb 0.46 -1.75 -0.00 0.00 -1.05 0.00 0.00 32.46 30.12 3ixa n ARG 14 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3ixa s PRO 15 N -0.62 3.97 0.00 2.89 0.02 -1.26 -1.74 135.00 138.25 3ixa s PRO 15 Ca 0.32 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3ixa s PRO 15 Cb 0.05 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3ixa s PRO 15 CO -0.17 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 3ixa n GLY 16 N 0.65 2.81 2.12 0.52 0.00 -1.26 -4.82 105.19 105.21 3ixa n GLY 16 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3ixa n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixa n ARG 17 N -1.96 3.34 0.00 1.61 1.74 -0.71 -5.08 116.66 115.60 3ixa n ARG 17 Ca 0.00 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.17 3ixa n ARG 17 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 3ixa n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixa n GLY 18 N -0.77 -2.05 3.77 -0.13 0.00 -1.25 -4.90 105.19 99.87 3ixa n GLY 18 Ca 0.50 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3ixa n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixa s GLU 19 N 0.00 1.82 0.43 1.61 2.02 -1.26 -4.52 118.70 118.80 3ixa s GLU 19 Ca 0.00 0.76 -0.26 0.00 0.02 0.00 0.00 54.97 55.49 3ixa s GLU 19 Cb 0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 3ixa s GLU 19 CO 0.00 -1.83 1.45 -2.30 0.02 0.00 0.00 175.26 172.59 3ixa n PRO 20 N -3.59 2.36 -1.87 0.39 -0.02 -1.26 -4.59 135.00 126.41 3ixa n PRO 20 Ca 0.07 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 3ixa n PRO 20 Cb 0.55 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3ixa n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ixa s ARG 21 N -2.35 4.18 -0.06 -0.52 6.06 -0.39 -4.81 118.95 121.05 3ixa s ARG 21 Ca 0.59 2.41 0.03 0.00 -2.50 0.00 0.00 55.73 56.26 3ixa s ARG 21 Cb -0.46 -3.47 0.01 0.00 0.06 0.00 0.00 34.95 31.09 3ixa s ARG 21 CO 0.59 -0.73 -0.16 0.12 -2.50 0.00 0.00 175.30 172.62 3ixa s PHE 22 N 2.25 1.74 -0.04 5.12 5.36 -1.26 -0.87 117.98 130.28 3ixa s PHE 22 Ca 0.75 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 3ixa s PHE 22 Cb -0.42 -1.21 0.03 0.00 -0.34 0.00 0.00 43.02 41.07 3ixa s PHE 22 CO 0.33 -0.27 0.02 0.42 -1.46 0.00 0.00 175.22 174.26 3ixa s ILE 23 N 0.41 0.07 -0.00 3.12 1.01 -0.40 -1.19 121.20 124.21 3ixa s ILE 23 Ca -0.12 0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3ixa s ILE 23 Cb -0.15 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 3ixa s ILE 23 CO 0.04 0.16 -0.22 0.00 0.00 0.00 0.00 174.94 174.91 3ixa s ALA 24 N 1.45 1.88 0.01 9.38 0.00 -0.05 -1.30 121.76 133.13 3ixa s ALA 24 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3ixa s ALA 24 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3ixa s ALA 24 CO -0.03 0.45 -0.05 0.14 0.00 0.00 0.00 175.76 176.28 3ixa s VAL 25 N -0.59 0.37 0.04 0.00 -7.23 -0.41 -0.34 120.40 112.23 3ixa s VAL 25 Ca 0.09 -0.39 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 3ixa s VAL 25 Cb -0.09 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3ixa s VAL 25 CO -0.00 -0.02 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.70 3ixa s GLY 26 N -0.45 1.46 0.01 2.32 0.00 -0.90 -0.15 107.32 109.61 3ixa s GLY 26 Ca -0.01 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.51 3ixa s GLY 26 CO -0.00 -1.10 -0.07 -0.19 0.00 0.00 0.00 173.10 171.74 3ixa s TYR 27 N -0.83 0.64 -0.23 1.90 1.51 0.07 -0.80 117.35 119.61 3ixa s TYR 27 Ca 0.13 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.92 3ixa s TYR 27 Cb -0.10 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 3ixa s TYR 27 CO 0.03 -0.02 0.03 0.08 -1.11 0.00 0.00 175.55 174.56 3ixa s VAL 28 N -0.46 4.07 0.00 0.71 1.01 -0.23 -1.41 120.40 124.09 3ixa s VAL 28 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3ixa s VAL 28 Cb -0.04 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3ixa s VAL 28 CO 0.00 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.95 3ixa n ASP 29 N 4.66 0.00 -1.58 3.32 10.43 -0.20 -0.85 116.55 132.33 3ixa n ASP 29 Ca -0.17 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.15 3ixa n ASP 29 Cb 0.51 0.00 0.26 0.00 1.84 0.00 0.00 41.12 43.73 3ixa n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3ixa n ASP 30 N 5.26 3.99 -4.17 -2.24 8.00 -1.26 -4.89 116.55 121.24 3ixa n ASP 30 Ca 0.00 -3.34 -0.34 0.00 0.71 0.00 0.00 54.79 51.82 3ixa n ASP 30 Cb 0.00 -0.69 -0.15 0.00 -0.02 0.00 0.00 41.12 40.26 3ixa n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ixa s THR 31 N -3.05 2.50 0.17 -3.53 2.01 -0.03 -5.02 115.64 108.69 3ixa s THR 31 Ca 0.50 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 3ixa s THR 31 Cb 0.42 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 3ixa s THR 31 CO 0.09 0.42 1.35 -1.58 -0.69 0.00 0.00 174.62 174.20 3ixa s GLN 32 N 1.32 4.36 0.00 4.92 0.74 -1.26 -1.07 119.66 128.67 3ixa s GLN 32 Ca 0.03 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.52 3ixa s GLN 32 Cb -0.14 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.76 3ixa s GLN 32 CO -0.09 -0.33 0.00 1.97 -0.55 0.00 0.00 175.29 176.29 3ixa n PHE 33 N 3.06 0.00 -4.12 1.67 -1.74 0.02 -4.19 117.46 112.16 3ixa n PHE 33 Ca 0.08 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.88 3ixa n PHE 33 Cb 0.42 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.32 3ixa n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3ixa s VAL 34 N -1.97 0.41 -0.02 1.97 -7.23 -1.21 -0.35 120.40 112.00 3ixa s VAL 34 Ca 0.00 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 3ixa s VAL 34 Cb 0.00 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.37 3ixa s VAL 34 CO 0.00 -0.94 0.19 -0.60 -0.31 0.00 0.00 175.10 173.44 3ixa s ARG 35 N -3.87 0.49 -0.04 4.82 3.52 -0.79 -2.12 118.95 120.96 3ixa s ARG 35 Ca 0.09 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3ixa s ARG 35 Cb 0.07 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 3ixa s ARG 35 CO -0.08 -0.12 -0.09 0.12 -0.81 0.00 0.00 175.30 174.33 3ixa s PHE 36 N -1.12 1.06 -0.10 5.12 5.36 0.54 -1.05 117.98 127.79 3ixa s PHE 36 Ca -0.12 -0.33 -0.00 0.00 -0.96 0.00 0.00 56.93 55.52 3ixa s PHE 36 Cb -0.06 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 3ixa s PHE 36 CO 0.02 -0.19 -0.08 0.34 -1.46 0.00 0.00 175.22 173.85 3ixa s ASP 37 N 0.58 2.08 0.60 6.13 -1.08 -1.26 -0.87 116.67 122.86 3ixa s ASP 37 Ca -0.10 -0.29 0.36 0.00 -0.52 0.00 0.00 52.55 52.00 3ixa s ASP 37 Cb -0.13 -0.82 1.95 0.00 -1.46 0.00 0.00 42.92 42.47 3ixa s ASP 37 CO 0.02 -0.10 2.24 0.77 0.52 0.00 0.00 175.17 178.61 3ixa h SER 38 N 8.02 0.00 0.82 -0.34 4.64 -1.54 -1.88 113.55 123.27 3ixa h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3ixa h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3ixa h SER 38 CO 0.41 0.03 -0.57 0.47 -0.87 0.00 0.00 176.83 176.30 3ixa n ASP 39 N -3.41 0.64 -4.82 4.97 9.92 -1.26 -4.94 116.55 117.65 3ixa n ASP 39 Ca -0.02 0.08 -0.30 0.00 -0.53 0.00 0.00 54.79 54.02 3ixa n ASP 39 Cb 0.13 0.13 0.07 0.00 -0.64 0.00 0.00 41.12 40.82 3ixa n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ixa s ALA 40 N -3.13 2.49 0.14 2.24 0.00 -0.71 -5.00 121.76 117.79 3ixa s ALA 40 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 3ixa s ALA 40 Cb 0.14 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3ixa s ALA 40 CO 0.71 -1.47 1.61 0.00 0.00 0.00 0.00 175.76 176.61 3ixa h ALA 41 N -0.90 0.60 0.00 0.00 0.00 -1.92 -3.33 119.26 113.71 3ixa h ALA 41 Ca -0.46 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 3ixa h ALA 41 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ixa h ALA 41 CO 0.60 0.34 -0.55 0.66 0.00 0.00 0.00 179.25 180.30 3ixa h SER 42 N 0.62 0.00 -3.99 0.00 4.64 -1.94 -3.46 113.55 109.41 3ixa h SER 42 Ca 0.13 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.06 3ixa h SER 42 Cb 0.42 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3ixa h SER 42 CO 0.01 0.55 -0.56 0.00 -0.87 0.00 0.00 176.83 175.96 3ixa n GLN 43 N -3.70 -3.50 -4.37 4.77 1.13 -1.25 -5.00 117.38 105.45 3ixa n GLN 43 Ca -0.01 0.90 -0.25 0.00 -1.94 0.00 0.00 57.00 55.70 3ixa n GLN 43 Cb 0.59 -5.67 -0.12 0.00 0.11 0.00 0.00 30.24 25.15 3ixa n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ixa s ARG 44 N -5.45 1.35 0.23 -1.09 1.81 -1.26 -5.04 118.95 109.50 3ixa s ARG 44 Ca 0.18 -1.39 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 3ixa s ARG 44 Cb -0.08 -1.63 -0.11 0.00 -0.45 0.00 0.00 34.95 32.67 3ixa s ARG 44 CO 0.23 0.36 1.65 1.41 -0.68 0.00 0.00 175.30 178.27 3ixa s MET 45 N -2.42 4.14 0.00 3.54 -2.45 -1.26 -4.67 119.30 116.18 3ixa s MET 45 Ca 0.15 2.55 0.08 0.00 -1.25 0.00 0.00 55.69 57.21 3ixa s MET 45 Cb -0.08 -3.07 -0.02 0.00 1.25 0.00 0.00 34.83 32.90 3ixa s MET 45 CO 0.07 -0.68 -0.23 -1.21 1.05 0.00 0.00 175.02 174.02 3ixa s GLU 46 N 0.59 1.79 0.48 4.11 2.02 -0.22 -4.92 118.70 122.55 3ixa s GLU 46 Ca 0.70 -0.90 -0.23 0.00 0.02 0.00 0.00 54.97 54.56 3ixa s GLU 46 Cb -0.48 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 3ixa s GLU 46 CO 0.37 0.48 1.24 -1.25 0.02 0.00 0.00 175.26 176.13 3ixa s PRO 47 N -0.76 3.60 0.00 0.39 0.04 -1.26 -1.88 135.00 135.13 3ixa s PRO 47 Ca 0.09 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3ixa s PRO 47 Cb -0.09 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3ixa s PRO 47 CO 0.00 -0.74 0.51 0.54 0.04 0.00 0.00 177.00 177.35 3ixa n ARG 48 N -0.56 0.50 -3.86 4.56 3.00 0.52 -4.84 116.66 115.98 3ixa n ARG 48 Ca 0.08 -0.60 -0.12 0.00 -0.01 0.00 0.00 57.85 57.20 3ixa n ARG 48 Cb 0.46 -0.62 -0.13 0.00 0.00 0.00 0.00 32.46 32.17 3ixa n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ixa s ALA 49 N -0.19 -0.12 0.43 7.54 0.00 -1.23 -4.68 121.76 123.51 3ixa s ALA 49 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.14 3ixa s ALA 49 Cb 0.00 -0.06 0.92 0.00 0.00 0.00 0.00 23.12 23.98 3ixa s ALA 49 CO 0.00 -0.04 2.04 -1.00 0.00 0.00 0.00 175.76 176.76 3ixa h PRO 50 N 5.89 0.36 0.00 0.00 0.13 -1.94 -2.88 132.00 133.56 3ixa h PRO 50 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ixa h PRO 50 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ixa h PRO 50 CO 0.47 0.29 0.00 -2.67 -0.23 0.00 0.00 178.00 175.86 3ixa n TRP 51 N -4.44 0.56 0.45 1.56 4.27 -1.26 -2.58 117.44 116.00 3ixa n TRP 51 Ca 0.01 0.20 0.12 0.00 -3.89 0.00 0.00 57.50 53.93 3ixa n TRP 51 Cb 0.12 -0.82 0.13 0.00 -1.36 0.00 0.00 31.31 29.38 3ixa n TRP 51 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 3ixa h ILE 52 N 0.00 0.00 0.00 -1.67 6.09 -1.86 -3.37 117.51 116.70 3ixa h ILE 52 Ca 0.00 -0.62 -0.02 0.00 -1.37 0.00 0.00 64.86 62.85 3ixa h ILE 52 Cb 0.45 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 3ixa h ILE 52 CO 0.00 0.00 -0.10 -0.33 -3.07 0.00 0.00 178.15 174.65 3ixa h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.58 -2.36 114.58 117.90 3ixa h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ixa h GLU 53 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3ixa h GLU 53 CO 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 3ixa n GLN 54 N -4.23 0.06 -2.04 2.33 10.64 -1.26 -4.81 117.38 118.07 3ixa n GLN 54 Ca -0.03 0.30 -0.41 0.00 -1.83 0.00 0.00 57.00 55.04 3ixa n GLN 54 Cb 0.18 -1.62 -0.02 0.00 -0.86 0.00 0.00 30.24 27.91 3ixa n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3ixa s GLU 55 N -3.10 4.29 0.68 2.61 0.41 -0.89 -5.01 118.70 117.68 3ixa s GLU 55 Ca 0.06 2.28 -0.11 0.00 -0.41 0.00 0.00 54.97 56.78 3ixa s GLU 55 Cb 0.10 -3.10 0.16 0.00 -1.78 0.00 0.00 34.13 29.50 3ixa s GLU 55 CO 0.31 -0.36 0.81 0.41 -0.49 0.00 0.00 175.26 175.94 3ixa n GLY 56 N 1.86 -1.76 0.26 -1.39 0.00 -1.26 -4.82 105.19 98.08 3ixa n GLY 56 Ca 0.05 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.55 3ixa n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ixa h PRO 57 N 0.00 0.00 -0.44 1.61 0.11 -1.99 -2.57 132.00 128.72 3ixa h PRO 57 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 3ixa h PRO 57 Cb 0.77 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 3ixa h PRO 57 CO 0.19 0.08 -0.17 0.93 -0.21 0.00 0.00 178.00 178.82 3ixa h GLU 58 N 0.00 0.86 0.52 1.05 3.07 -1.98 -1.23 114.58 116.87 3ixa h GLU 58 Ca -0.00 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 3ixa h GLU 58 Cb 0.18 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3ixa h GLU 58 CO 0.01 0.96 -0.46 -0.92 -1.40 0.00 0.00 179.01 177.20 3ixa h TYR 59 N 0.76 -1.27 -0.40 4.33 3.20 -1.80 0.16 116.97 121.93 3ixa h TYR 59 Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3ixa h TYR 59 Cb 0.70 0.49 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3ixa h TYR 59 CO 0.04 -0.63 0.25 -1.49 -1.64 0.00 0.00 178.16 174.68 3ixa h TRP 60 N -0.97 0.53 -0.33 -3.82 4.06 -1.47 0.22 115.95 114.18 3ixa h TRP 60 Ca -0.07 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3ixa h TRP 60 Cb 0.82 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 3ixa h TRP 60 CO -0.21 0.37 0.13 -0.44 -3.56 0.00 0.00 178.44 174.74 3ixa h ASP 61 N 0.53 0.45 -0.50 -3.49 3.45 -1.28 -0.66 116.42 114.93 3ixa h ASP 61 Ca 0.15 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 3ixa h ASP 61 Cb -0.00 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3ixa h ASP 61 CO -0.03 0.50 0.28 1.23 -1.57 0.00 0.00 179.24 179.65 3ixa h GLY 62 N 0.38 0.75 1.66 2.75 0.00 -0.42 -2.24 103.07 105.95 3ixa h GLY 62 Ca 0.11 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 3ixa h GLY 62 CO -0.01 0.33 -0.45 0.83 0.00 0.00 0.00 176.54 177.24 3ixa h GLU 63 N 0.67 0.37 0.12 4.80 4.39 -0.51 -1.32 114.58 123.10 3ixa h GLU 63 Ca 0.18 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3ixa h GLU 63 Cb 0.05 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3ixa h GLU 63 CO -0.03 0.75 -0.06 1.15 -1.16 0.00 0.00 179.01 179.66 3ixa h THR 64 N 0.30 0.90 -0.25 1.13 2.02 -1.01 -0.09 112.91 115.92 3ixa h THR 64 Ca 0.02 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.15 3ixa h THR 64 Cb 0.91 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3ixa h THR 64 CO 0.08 0.02 0.02 -0.09 0.37 0.00 0.00 175.52 175.92 3ixa h ARG 65 N -0.20 0.10 -0.58 6.66 2.43 -1.36 -1.71 114.38 119.71 3ixa h ARG 65 Ca -0.02 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3ixa h ARG 65 Cb 0.16 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3ixa h ARG 65 CO 0.03 0.07 0.08 0.87 -1.51 0.00 0.00 179.97 179.50 3ixa h LYS 66 N 0.10 0.94 -0.11 0.20 1.57 -1.14 -0.47 116.57 117.67 3ixa h LYS 66 Ca 0.11 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3ixa h LYS 66 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ixa h LYS 66 CO -0.18 0.88 -0.49 -0.24 -0.57 0.00 0.00 179.45 178.86 3ixa h VAL 67 N 0.89 1.34 -0.19 0.50 3.04 -0.92 -1.92 116.25 119.00 3ixa h VAL 67 Ca 0.18 -1.71 -0.11 0.00 -1.01 0.00 0.00 66.70 64.05 3ixa h VAL 67 Cb 0.41 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 3ixa h VAL 67 CO 0.01 0.51 -0.36 0.11 -1.01 0.00 0.00 177.57 176.83 3ixa h LYS 68 N 0.23 0.41 -0.26 4.17 1.57 -1.02 -1.35 116.57 120.31 3ixa h LYS 68 Ca 0.01 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 3ixa h LYS 68 Cb 0.94 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3ixa h LYS 68 CO 0.08 0.72 -0.15 0.00 -0.57 0.00 0.00 179.45 179.52 3ixa h ALA 69 N 1.27 1.26 -0.34 3.86 0.00 -0.55 -0.99 119.26 123.76 3ixa h ALA 69 Ca 0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3ixa h ALA 69 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ixa h ALA 69 CO 0.06 0.49 -0.01 0.45 0.00 0.00 0.00 179.25 180.24 3ixa h HIS 70 N 0.41 0.67 -0.29 0.00 3.86 -0.86 -1.98 115.15 116.96 3ixa h HIS 70 Ca 0.07 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3ixa h HIS 70 Cb 0.51 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 3ixa h HIS 70 CO 0.02 0.73 -0.03 1.03 0.86 0.00 0.00 177.93 180.54 3ixa h SER 71 N 0.41 -0.18 -0.66 2.45 0.87 -0.86 -0.88 113.55 114.70 3ixa h SER 71 Ca 0.09 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3ixa h SER 71 Cb 0.48 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 3ixa h SER 71 CO 0.02 -0.06 0.08 1.56 -0.53 0.00 0.00 176.83 177.91 3ixa h GLN 72 N 0.05 1.10 -0.69 2.24 1.08 -1.17 -1.44 115.11 116.28 3ixa h GLN 72 Ca 0.14 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3ixa h GLN 72 Cb 0.20 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3ixa h GLN 72 CO -0.26 1.02 0.45 1.15 -0.95 0.00 0.00 178.83 180.24 3ixa h THR 73 N 1.02 1.15 -0.31 -0.54 2.02 -0.99 -2.57 112.91 112.69 3ixa h THR 73 Ca 0.20 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 3ixa h THR 73 Cb 0.47 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3ixa h THR 73 CO 0.02 0.16 -0.21 0.45 0.37 0.00 0.00 175.52 176.31 3ixa h HIS 74 N 0.90 0.64 -0.32 3.16 3.86 -0.93 -0.78 115.15 121.68 3ixa h HIS 74 Ca 0.26 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3ixa h HIS 74 Cb -0.07 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3ixa h HIS 74 CO -0.03 0.74 0.17 0.00 0.86 0.00 0.00 177.93 179.67 3ixa h ARG 75 N 0.51 0.34 -0.40 2.45 3.08 -0.89 -1.18 114.38 118.30 3ixa h ARG 75 Ca 0.08 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 3ixa h ARG 75 Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ixa h ARG 75 CO 0.05 0.23 -0.26 0.28 -1.07 0.00 0.00 179.97 179.20 3ixa h VAL 76 N 0.35 1.27 -0.38 2.04 2.07 -1.29 -3.22 116.25 117.10 3ixa h VAL 76 Ca 0.13 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3ixa h VAL 76 Cb 0.03 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3ixa h VAL 76 CO -0.08 0.47 0.24 0.44 0.02 0.00 0.00 177.57 178.66 3ixa h ASP 77 N 0.70 0.44 -0.93 0.57 3.32 -0.82 0.01 116.42 119.72 3ixa h ASP 77 Ca 0.09 -0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.28 3ixa h ASP 77 Cb 0.79 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.13 3ixa h ASP 77 CO 0.07 0.34 0.52 -0.07 -1.72 0.00 0.00 179.24 178.37 3ixa h LEU 78 N 0.51 0.64 -0.32 1.55 3.38 -1.25 0.26 115.31 120.07 3ixa h LEU 78 Ca 0.14 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ixa h LEU 78 Cb -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3ixa h LEU 78 CO -0.03 0.24 -0.14 1.23 0.09 0.00 0.00 178.44 179.83 3ixa h GLY 79 N 0.68 0.73 0.86 0.83 0.00 -1.22 -2.61 103.07 102.34 3ixa h GLY 79 Ca 0.52 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3ixa h GLY 79 CO -0.38 0.59 0.06 -0.84 0.00 0.00 0.00 176.54 175.97 3ixa h THR 80 N 0.44 1.19 -0.49 4.70 2.02 -0.68 -3.01 112.91 117.08 3ixa h THR 80 Ca 0.07 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 3ixa h THR 80 Cb 0.67 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3ixa h THR 80 CO 0.05 0.19 -0.11 -0.07 0.37 0.00 0.00 175.52 175.95 3ixa h LEU 81 N 0.14 0.89 -0.99 2.58 3.38 -0.52 -0.65 115.31 120.13 3ixa h LEU 81 Ca 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3ixa h LEU 81 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3ixa h LEU 81 CO -0.00 1.01 -0.22 0.08 0.09 0.00 0.00 178.44 179.40 3ixa h ARG 82 N 0.80 0.00 0.25 1.13 0.11 -1.55 -1.75 114.38 113.37 3ixa h ARG 82 Ca 0.13 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 3ixa h ARG 82 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3ixa h ARG 82 CO 0.04 0.22 -0.12 0.78 0.10 0.00 0.00 179.97 180.99 3ixa h GLY 83 N 2.29 -0.36 0.83 0.08 0.00 -1.24 0.61 103.07 105.28 3ixa h GLY 83 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.53 3ixa h GLY 83 CO 0.03 -0.13 0.59 -0.97 0.00 0.00 0.00 176.54 176.05 3ixa h TYR 84 N -0.57 1.03 -0.54 5.60 0.05 -0.87 -2.54 116.97 119.13 3ixa h TYR 84 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ixa h TYR 84 Cb 0.42 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3ixa h TYR 84 CO 0.00 0.53 0.00 0.66 -1.05 0.00 0.00 178.16 178.30 3ixa n TYR 85 N -4.50 1.34 -3.91 4.88 4.01 -0.68 -4.98 117.16 113.32 3ixa n TYR 85 Ca 0.14 -0.66 -0.32 0.00 -0.16 0.00 0.00 57.90 56.90 3ixa n TYR 85 Cb 0.21 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3ixa n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ixa n ASN 86 N 0.71 -2.75 -4.80 7.72 5.03 -0.96 -4.99 115.26 115.23 3ixa n ASN 86 Ca 0.24 -1.09 -0.22 0.00 0.87 0.00 0.00 54.58 54.37 3ixa n ASN 86 Cb 0.87 -2.79 -0.05 0.00 -1.02 0.00 0.00 39.78 36.80 3ixa n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3ixa s GLN 87 N -6.58 2.84 0.74 3.52 -0.21 0.17 -5.04 119.66 115.09 3ixa s GLN 87 Ca 0.27 -1.10 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 3ixa s GLN 87 Cb -0.11 -2.51 0.07 0.00 1.00 0.00 0.00 33.01 31.46 3ixa s GLN 87 CO 0.90 0.40 1.06 -1.54 -2.12 0.00 0.00 175.29 174.00 3ixa s SER 88 N -3.78 4.69 0.12 5.90 1.04 -1.26 -4.65 113.70 115.75 3ixa s SER 88 Ca 0.33 0.53 0.26 0.00 0.48 0.00 0.00 55.95 57.54 3ixa s SER 88 Cb -0.08 -1.12 0.96 0.00 0.10 0.00 0.00 66.02 65.89 3ixa s SER 88 CO 0.24 -1.71 1.79 1.21 0.98 0.00 0.00 173.24 175.75 3ixa n GLU 89 N -3.04 0.14 0.04 4.02 2.13 -1.26 -4.15 120.64 118.51 3ixa n GLU 89 Ca 0.08 0.17 -0.19 0.00 0.66 0.00 0.00 57.16 57.88 3ixa n GLU 89 Cb 0.61 -1.68 -0.14 0.00 0.27 0.00 0.00 31.44 30.50 3ixa n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ixa h ALA 90 N 2.65 -0.07 -2.28 4.31 0.00 -1.97 -3.45 119.26 118.46 3ixa h ALA 90 Ca 0.00 -0.67 -0.49 0.00 0.00 0.00 0.00 54.91 53.75 3ixa h ALA 90 Cb 0.56 0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ixa h ALA 90 CO 0.00 0.35 0.09 0.20 0.00 0.00 0.00 179.25 179.89 3ixa s GLY 91 N -4.37 1.50 -0.12 0.00 0.00 -1.26 -4.54 107.32 98.53 3ixa s GLY 91 Ca -0.14 -0.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 3ixa s GLY 91 CO 0.82 -0.40 0.86 -0.45 0.00 0.00 0.00 173.10 173.93 3ixa s SER 92 N -4.13 7.06 0.29 1.64 0.15 -1.26 -4.74 113.70 112.71 3ixa s SER 92 Ca 0.48 1.30 0.09 0.00 0.70 0.00 0.00 55.95 58.51 3ixa s SER 92 Cb -0.10 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 3ixa s SER 92 CO 0.44 -0.34 -0.11 -1.00 1.20 0.00 0.00 173.24 173.43 3ixa s HIS 93 N 1.76 2.12 -0.09 3.44 3.76 -1.26 -4.93 115.29 120.08 3ixa s HIS 93 Ca 0.42 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3ixa s HIS 93 Cb -0.18 -1.13 0.01 0.00 1.11 0.00 0.00 32.58 32.40 3ixa s HIS 93 CO 0.16 0.46 -0.16 0.99 -0.85 0.00 0.00 174.74 175.35 3ixa s THR 94 N -2.79 1.47 -0.00 1.30 2.01 -1.26 -0.88 115.64 115.48 3ixa s THR 94 Ca 0.29 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.66 3ixa s THR 94 Cb 0.01 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3ixa s THR 94 CO 0.13 0.43 -0.02 0.68 -0.69 0.00 0.00 174.62 175.15 3ixa s VAL 95 N 0.75 4.01 0.05 3.82 -7.23 0.37 -0.64 120.40 121.53 3ixa s VAL 95 Ca -0.12 -0.65 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 3ixa s VAL 95 Cb -0.16 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 3ixa s VAL 95 CO 0.02 0.39 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.96 3ixa s GLN 96 N -1.50 0.85 -0.06 4.82 -0.21 -0.52 -0.67 119.66 122.37 3ixa s GLN 96 Ca 0.19 -0.81 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3ixa s GLN 96 Cb -0.11 -0.84 0.02 0.00 1.00 0.00 0.00 33.01 33.07 3ixa s GLN 96 CO 0.09 0.20 0.16 0.50 -2.12 0.00 0.00 175.29 174.13 3ixa s ARG 97 N -1.36 0.21 -0.03 2.91 3.52 0.02 -0.56 118.95 123.65 3ixa s ARG 97 Ca -0.01 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3ixa s ARG 97 Cb -0.09 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 3ixa s ARG 97 CO 0.02 -0.03 0.07 1.41 -0.81 0.00 0.00 175.30 175.96 3ixa s MET 98 N -0.00 0.02 0.20 5.12 1.75 -0.50 -0.51 119.30 125.37 3ixa s MET 98 Ca -0.01 0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 3ixa s MET 98 Cb -0.02 -0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 3ixa s MET 98 CO 0.00 -0.13 0.14 1.52 -0.65 0.00 0.00 175.02 175.90 3ixa s TYR 99 N 0.89 1.08 -4.93 4.11 -0.85 -1.00 -0.27 117.35 116.37 3ixa s TYR 99 Ca -0.07 -1.32 0.00 0.00 -0.52 0.00 0.00 57.07 55.16 3ixa s TYR 99 Cb -0.10 -0.50 0.00 0.00 0.38 0.00 0.00 41.96 41.74 3ixa s TYR 99 CO -0.03 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 3ixa n GLY 100 N -0.26 -1.17 3.02 5.49 0.00 -0.84 -1.10 105.19 110.34 3ixa n GLY 100 Ca 0.01 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3ixa n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixa s ASP 102 N -1.15 4.95 0.07 0.00 1.01 0.61 -1.68 116.67 120.49 3ixa s ASP 102 Ca -0.12 -0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.14 3ixa s ASP 102 Cb -0.07 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.57 3ixa s ASP 102 CO 0.00 0.29 -0.03 0.68 0.21 0.00 0.00 175.17 176.32 3ixa s VAL 103 N -1.04 3.82 0.00 -1.27 -7.23 0.52 -0.53 120.40 114.67 3ixa s VAL 103 Ca 0.18 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3ixa s VAL 103 Cb -0.11 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3ixa s VAL 103 CO 0.09 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 3ixa n GLY 104 N 0.80 -0.82 0.28 2.32 0.00 -0.83 -1.12 105.19 105.82 3ixa n GLY 104 Ca -0.12 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.26 3ixa n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ixa h SER 105 N 0.00 0.23 0.25 1.61 0.02 -1.91 -1.11 113.55 112.64 3ixa h SER 105 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3ixa h SER 105 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3ixa h SER 105 CO 0.00 0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 3ixa n ASP 106 N -4.49 0.00 -1.03 3.07 3.85 -1.26 -4.87 116.55 111.82 3ixa n ASP 106 Ca -0.00 -0.31 -0.12 0.00 -0.71 0.00 0.00 54.79 53.64 3ixa n ASP 106 Cb 0.09 -0.17 -0.05 0.00 -1.35 0.00 0.00 41.12 39.63 3ixa n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3ixa n TRP 107 N -1.17 -0.08 -3.12 2.11 7.02 -0.42 -4.98 117.44 116.80 3ixa n TRP 107 Ca 0.13 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.35 3ixa n TRP 107 Cb 0.14 -2.75 -0.02 0.00 -2.42 0.00 0.00 31.31 26.26 3ixa n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3ixa s ARG 108 N -2.98 3.57 0.08 -0.99 0.52 -1.26 -4.78 118.95 113.10 3ixa s ARG 108 Ca 0.00 -0.02 -0.36 0.00 -0.52 0.00 0.00 55.73 54.82 3ixa s ARG 108 Cb 0.00 -2.56 -0.18 0.00 0.52 0.00 0.00 34.95 32.73 3ixa s ARG 108 CO 0.00 0.06 1.08 0.34 0.02 0.00 0.00 175.30 176.79 3ixa n PHE 109 N -1.62 0.81 0.01 -0.53 7.35 -1.26 -1.97 117.46 120.26 3ixa n PHE 109 Ca -0.02 0.88 -0.03 0.00 -0.76 0.00 0.00 57.45 57.53 3ixa n PHE 109 Cb 0.55 -2.16 -0.01 0.00 0.35 0.00 0.00 39.48 38.21 3ixa n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3ixa n LEU 110 N 1.89 1.19 -3.70 -2.13 7.94 0.31 -4.73 117.00 117.77 3ixa n LEU 110 Ca 0.18 0.17 -0.10 0.00 -1.11 0.00 0.00 56.01 55.15 3ixa n LEU 110 Cb 0.16 -0.40 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 3ixa n LEU 110 CO 0.61 -0.55 0.15 0.00 -1.11 0.00 0.00 177.39 176.48 3ixa s ARG 111 N -2.19 1.12 0.07 1.96 1.70 -1.16 -4.98 118.95 115.47 3ixa s ARG 111 Ca -0.07 -0.80 0.01 0.00 -0.47 0.00 0.00 55.73 54.40 3ixa s ARG 111 Cb 0.01 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3ixa s ARG 111 CO 0.10 -0.44 -0.06 0.20 -1.08 0.00 0.00 175.30 174.02 3ixa s GLY 112 N -2.84 0.63 0.09 3.88 0.00 -1.26 -0.28 107.32 107.54 3ixa s GLY 112 Ca 0.06 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 3ixa s GLY 112 CO -0.09 -1.27 0.36 -2.52 0.00 0.00 0.00 173.10 169.58 3ixa s TYR 113 N -3.18 -0.15 -0.30 1.90 -0.85 -0.27 -4.80 117.35 109.70 3ixa s TYR 113 Ca 0.05 -0.11 -0.07 0.00 -0.52 0.00 0.00 57.07 56.42 3ixa s TYR 113 Cb 0.02 0.18 0.17 0.00 0.38 0.00 0.00 41.96 42.72 3ixa s TYR 113 CO -0.05 -0.63 0.75 -1.58 -1.52 0.00 0.00 175.55 172.52 3ixa s HIS 114 N -3.41 -1.22 0.02 -3.49 2.46 -1.26 -1.99 115.29 106.40 3ixa s HIS 114 Ca 0.01 1.53 0.03 0.00 0.47 0.00 0.00 55.06 57.10 3ixa s HIS 114 Cb 0.02 0.52 -0.02 0.00 -0.13 0.00 0.00 32.58 32.96 3ixa s HIS 114 CO -0.09 -0.65 -0.11 -0.65 -2.47 0.00 0.00 174.74 170.77 3ixa s GLN 115 N 2.84 0.75 -0.01 2.88 -0.21 0.63 -0.92 119.66 125.61 3ixa s GLN 115 Ca 0.08 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.89 3ixa s GLN 115 Cb -0.12 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.19 3ixa s GLN 115 CO -0.18 0.18 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.65 3ixa s TYR 116 N -0.72 0.46 0.06 0.91 6.14 -0.16 -1.41 117.35 122.64 3ixa s TYR 116 Ca -0.00 -0.09 0.05 0.00 0.64 0.00 0.00 57.07 57.67 3ixa s TYR 116 Cb -0.07 -0.33 -0.03 0.00 0.42 0.00 0.00 41.96 41.95 3ixa s TYR 116 CO 0.01 -0.04 -0.14 0.00 0.64 0.00 0.00 175.55 176.02 3ixa s ALA 117 N 0.09 1.19 -0.12 3.97 0.00 0.27 -0.87 121.76 126.30 3ixa s ALA 117 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3ixa s ALA 117 Cb -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3ixa s ALA 117 CO -0.00 0.19 -0.16 -0.47 0.00 0.00 0.00 175.76 175.31 3ixa s TYR 118 N -1.16 2.14 -1.52 0.00 5.04 -0.55 -1.43 117.35 119.87 3ixa s TYR 118 Ca -0.01 -1.05 -0.13 0.00 -2.44 0.00 0.00 57.07 53.45 3ixa s TYR 118 Cb -0.09 -1.52 0.08 0.00 0.35 0.00 0.00 41.96 40.77 3ixa s TYR 118 CO 0.02 -0.53 0.95 -0.25 -1.34 0.00 0.00 175.55 174.41 3ixa n ASP 119 N 4.24 -4.45 -0.35 4.32 8.00 0.19 -2.29 116.55 126.21 3ixa n ASP 119 Ca -0.19 -0.79 -0.05 0.00 0.71 0.00 0.00 54.79 54.47 3ixa n ASP 119 Cb 0.51 -3.86 -0.02 0.00 -0.02 0.00 0.00 41.12 37.73 3ixa n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ixa n GLY 120 N -1.68 0.73 3.24 0.44 0.00 -1.26 -5.02 105.19 101.64 3ixa n GLY 120 Ca 0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3ixa n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixa s LYS 121 N -2.06 1.50 0.06 1.61 1.02 -0.97 -5.11 119.74 115.79 3ixa s LYS 121 Ca 0.00 -0.88 -0.37 0.00 0.02 0.00 0.00 55.97 54.74 3ixa s LYS 121 Cb 0.00 -1.56 -0.17 0.00 -0.52 0.00 0.00 37.83 35.58 3ixa s LYS 121 CO 0.00 0.41 1.33 -0.25 -0.92 0.00 0.00 175.35 175.92 3ixa n ASP 122 N 2.09 1.50 0.00 2.83 10.43 -1.26 -1.47 116.55 130.67 3ixa n ASP 122 Ca -0.16 1.12 -0.03 0.00 2.57 0.00 0.00 54.79 58.29 3ixa n ASP 122 Cb 0.53 -1.16 -0.01 0.00 1.84 0.00 0.00 41.12 42.32 3ixa n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ixa n TYR 123 N 2.54 0.00 -3.82 1.24 9.36 -0.05 -4.75 117.16 121.69 3ixa n TYR 123 Ca 0.19 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 3ixa n TYR 123 Cb 0.18 -0.16 -0.10 0.00 -0.63 0.00 0.00 39.34 38.63 3ixa n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3ixa s ILE 124 N -2.21 0.05 -0.01 2.97 2.07 -1.08 -1.30 121.20 121.68 3ixa s ILE 124 Ca -0.09 -0.39 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 3ixa s ILE 124 Cb 0.01 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3ixa s ILE 124 CO 0.13 -0.21 0.03 0.00 -1.91 0.00 0.00 174.94 172.98 3ixa s ALA 125 N -0.82 -0.08 0.14 1.50 0.00 -0.73 -0.98 121.76 120.79 3ixa s ALA 125 Ca -0.09 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 3ixa s ALA 125 Cb -0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 3ixa s ALA 125 CO 0.02 -0.03 1.02 -1.17 0.00 0.00 0.00 175.76 175.60 3ixa s LEU 126 N -0.07 4.50 0.89 0.00 2.96 -0.10 -0.29 118.68 126.57 3ixa s LEU 126 Ca -0.01 1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 55.68 3ixa s LEU 126 Cb -0.01 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.23 3ixa s LEU 126 CO 0.00 -0.12 1.24 -0.54 -1.32 0.00 0.00 176.35 175.62 3ixa s LYS 127 N -0.20 1.27 0.44 1.98 1.02 0.10 -4.60 119.74 119.74 3ixa s LYS 127 Ca 0.48 -0.12 0.19 0.00 0.02 0.00 0.00 55.97 56.54 3ixa s LYS 127 Cb -0.26 -1.89 1.01 0.00 -0.52 0.00 0.00 37.83 36.16 3ixa s LYS 127 CO 0.32 -2.04 1.92 1.49 -0.92 0.00 0.00 175.35 176.12 3ixa h GLU 128 N -1.37 0.00 0.00 1.68 4.81 -1.87 -1.99 114.58 115.84 3ixa h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ixa h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3ixa h GLU 128 CO 0.52 0.26 0.00 -0.40 -0.73 0.00 0.00 179.01 178.66 3ixa n ASP 129 N -3.86 0.00 0.00 1.04 5.68 -1.26 -4.82 116.55 113.34 3ixa n ASP 129 Ca -0.02 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 3ixa n ASP 129 Cb 0.35 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3ixa n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ixa n LEU 130 N -1.30 0.75 -0.00 -2.12 4.77 -0.75 -4.69 117.00 113.65 3ixa n LEU 130 Ca 0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ixa n LEU 130 Cb 0.15 -1.90 -0.00 0.00 -2.33 0.00 0.00 43.42 39.33 3ixa n LEU 130 CO 0.14 -0.71 -0.50 0.54 -1.33 0.00 0.00 177.39 175.53 3ixa n ARG 131 N -0.22 2.22 -4.48 3.23 1.74 -1.26 -4.46 116.66 113.43 3ixa n ARG 131 Ca 0.00 -0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 3ixa n ARG 131 Cb 0.33 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 3ixa n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ixa s SER 132 N -2.57 3.65 0.09 0.55 1.04 -1.26 -4.75 113.70 110.45 3ixa s SER 132 Ca -0.00 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.44 3ixa s SER 132 Cb 0.00 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 3ixa s SER 132 CO 0.00 -0.02 -0.19 0.26 0.98 0.00 0.00 173.24 174.27 3ixa s TRP 133 N -2.53 1.64 -0.38 5.02 0.52 -1.26 -0.72 118.94 121.23 3ixa s TRP 133 Ca 0.31 -0.42 -0.10 0.00 0.02 0.00 0.00 56.10 55.91 3ixa s TRP 133 Cb -0.03 -0.92 0.04 0.00 -1.15 0.00 0.00 33.47 31.42 3ixa s TRP 133 CO 0.15 0.15 0.21 0.99 0.02 0.00 0.00 176.95 178.48 3ixa s THR 134 N -1.13 4.38 -0.02 2.01 2.01 0.60 -4.90 115.64 118.59 3ixa s THR 134 Ca 0.04 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3ixa s THR 134 Cb -0.10 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3ixa s THR 134 CO 0.03 -0.30 0.54 0.00 -0.69 0.00 0.00 174.62 174.20 3ixa s ALA 135 N 1.50 3.53 0.18 7.40 0.00 -1.26 -1.77 121.76 131.33 3ixa s ALA 135 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3ixa s ALA 135 Cb -0.20 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 20.32 3ixa s ALA 135 CO 0.05 0.21 1.43 0.00 0.00 0.00 0.00 175.76 177.45 3ixa h ALA 136 N 5.58 0.60 -2.99 0.00 0.00 -1.49 -3.47 119.26 117.49 3ixa h ALA 136 Ca -0.46 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3ixa h ALA 136 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ixa h ALA 136 CO 0.69 0.81 0.00 -0.40 0.00 0.00 0.00 179.25 180.35 3ixa n ASP 137 N -3.77 0.00 0.04 0.00 5.68 -1.26 -5.06 116.55 112.18 3ixa n ASP 137 Ca -0.04 -0.02 -0.18 0.00 -0.50 0.00 0.00 54.79 54.05 3ixa n ASP 137 Cb 0.73 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.63 3ixa n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3ixa h MET 138 N 0.00 0.63 -0.58 0.11 2.86 -1.99 -2.11 114.93 113.86 3ixa h MET 138 Ca 0.00 -0.65 0.03 0.00 -2.06 0.00 0.00 59.70 57.02 3ixa h MET 138 Cb 0.00 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3ixa h MET 138 CO 0.00 1.25 0.34 0.00 1.06 0.00 0.00 176.91 179.56 3ixa h ALA 139 N 0.53 0.75 0.00 6.32 0.00 -1.98 -1.81 119.26 123.07 3ixa h ALA 139 Ca -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3ixa h ALA 139 Cb 1.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3ixa h ALA 139 CO 0.19 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 179.23 3ixa h ALA 140 N 1.27 1.45 -0.57 0.00 0.00 -1.86 -1.84 119.26 117.71 3ixa h ALA 140 Ca 0.24 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ixa h ALA 140 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ixa h ALA 140 CO -0.12 0.31 0.38 1.96 0.00 0.00 0.00 179.25 181.78 3ixa h GLN 141 N 0.00 0.66 -0.21 0.00 1.08 -0.61 0.30 115.11 116.33 3ixa h GLN 141 Ca -0.00 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 3ixa h GLN 141 Cb 0.48 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3ixa h GLN 141 CO 0.03 0.44 -0.41 1.79 -0.95 0.00 0.00 178.83 179.73 3ixa h THR 142 N 0.68 1.30 -0.34 -0.54 1.35 -1.15 -2.32 112.91 111.90 3ixa h THR 142 Ca 0.23 -1.57 -0.04 0.00 -0.55 0.00 0.00 66.41 64.48 3ixa h THR 142 Cb 0.06 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3ixa h THR 142 CO -0.06 0.49 0.06 0.74 -0.25 0.00 0.00 175.52 176.51 3ixa h THR 143 N 0.41 1.23 -0.77 6.82 2.02 -1.38 -2.54 112.91 118.71 3ixa h THR 143 Ca 0.04 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.54 3ixa h THR 143 Cb 0.89 1.11 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 3ixa h THR 143 CO 0.08 0.27 0.37 0.50 0.37 0.00 0.00 175.52 177.10 3ixa h LYS 144 N 0.39 0.55 -0.20 6.66 3.64 -0.86 0.90 116.57 127.65 3ixa h LYS 144 Ca 0.10 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3ixa h LYS 144 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3ixa h LYS 144 CO 0.00 0.36 0.06 0.45 -2.27 0.00 0.00 179.45 178.06 3ixa h HIS 145 N 0.57 0.32 -0.66 1.91 3.86 -1.30 -1.86 115.15 117.99 3ixa h HIS 145 Ca 0.41 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.61 3ixa h HIS 145 Cb 0.54 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 3ixa h HIS 145 CO -0.12 0.40 0.41 0.87 0.86 0.00 0.00 177.93 180.36 3ixa h LYS 146 N 0.15 0.79 0.00 2.45 1.57 -1.03 -3.21 116.57 117.29 3ixa h LYS 146 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ixa h LYS 146 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ixa h LYS 146 CO -0.00 0.52 -0.27 -1.49 -0.57 0.00 0.00 179.45 177.64 3ixa h TRP 147 N 0.82 0.00 -0.00 -1.35 4.06 -0.74 -2.97 115.95 115.76 3ixa h TRP 147 Ca 0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.21 3ixa h TRP 147 Cb -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3ixa h TRP 147 CO -0.04 0.00 -0.13 0.39 -3.56 0.00 0.00 178.44 175.09 3ixa n GLU 148 N -2.52 0.62 -1.75 0.49 1.02 -0.71 -3.41 120.64 114.38 3ixa n GLU 148 Ca 0.04 -0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 56.55 3ixa n GLU 148 Cb 0.48 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 3ixa n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ixa n ALA 149 N -1.00 1.95 -0.25 0.62 0.00 -1.12 -4.64 120.51 116.06 3ixa n ALA 149 Ca 0.13 0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 3ixa n ALA 149 Cb 0.29 -2.37 0.08 0.00 0.00 0.00 0.00 19.45 17.45 3ixa n ALA 149 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ixa h PRO 150 N 2.50 1.12 -0.13 0.00 0.11 -1.92 -0.33 132.00 133.35 3ixa h PRO 150 Ca -0.50 -0.24 0.01 0.00 0.11 0.00 0.00 66.00 65.39 3ixa h PRO 150 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3ixa h PRO 150 CO 0.62 0.95 0.05 1.25 -0.21 0.00 0.00 178.00 180.66 3ixa h HIS 151 N 1.07 0.10 0.31 0.65 2.76 -1.97 0.30 115.15 118.38 3ixa h HIS 151 Ca 0.23 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 3ixa h HIS 151 Cb 0.30 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3ixa h HIS 151 CO 0.02 0.06 -0.15 0.28 -1.30 0.00 0.00 177.93 176.84 3ixa h VAL 152 N 0.12 0.71 -0.78 5.26 2.07 -1.78 -2.16 116.25 119.70 3ixa h VAL 152 Ca 0.05 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.30 3ixa h VAL 152 Cb 0.02 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3ixa h VAL 152 CO -0.05 0.08 0.41 0.00 0.02 0.00 0.00 177.57 178.03 3ixa h ALA 153 N -0.02 1.11 -0.83 1.67 0.00 -1.02 -2.22 119.26 117.95 3ixa h ALA 153 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ixa h ALA 153 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ixa h ALA 153 CO 0.07 -0.01 0.41 1.49 0.00 0.00 0.00 179.25 181.21 3ixa h GLU 154 N 0.67 1.19 -0.28 0.00 4.57 -0.89 0.33 114.58 120.17 3ixa h GLU 154 Ca 0.39 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 3ixa h GLU 154 Cb 0.43 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3ixa h GLU 154 CO -0.28 0.91 0.11 1.96 -1.18 0.00 0.00 179.01 180.52 3ixa h GLN 155 N 1.18 0.24 -0.35 1.92 4.20 -0.86 0.95 115.11 122.39 3ixa h GLN 155 Ca 0.29 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 3ixa h GLN 155 Cb 0.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ixa h GLN 155 CO -0.04 0.16 0.00 1.25 -0.67 0.00 0.00 178.83 179.53 3ixa h LEU 156 N 0.24 0.60 -0.20 1.46 5.85 -1.14 -2.16 115.31 119.96 3ixa h LEU 156 Ca 0.12 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ixa h LEU 156 Cb 0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3ixa h LEU 156 CO -0.11 0.76 0.13 -0.09 -0.34 0.00 0.00 178.44 178.78 3ixa h ARG 157 N 0.42 0.27 -0.98 1.25 1.12 -0.68 0.95 114.38 116.73 3ixa h ARG 157 Ca 0.10 -0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.03 3ixa h ARG 157 Cb 0.45 -0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 30.28 3ixa h ARG 157 CO 0.02 0.21 0.62 0.00 -3.11 0.00 0.00 179.97 177.70 3ixa h ALA 158 N 1.05 1.39 0.81 2.80 0.00 -0.81 -1.31 119.26 123.19 3ixa h ALA 158 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ixa h ALA 158 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ixa h ALA 158 CO -0.01 0.33 -0.39 -0.92 0.00 0.00 0.00 179.25 178.26 3ixa h TYR 159 N 1.07 -1.01 -0.88 0.00 3.20 -0.82 -1.84 116.97 116.69 3ixa h TYR 159 Ca 0.44 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 3ixa h TYR 159 Cb 0.28 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3ixa h TYR 159 CO -0.01 -0.62 0.46 -0.07 -1.64 0.00 0.00 178.16 176.28 3ixa h LEU 160 N -1.28 1.12 0.00 2.82 3.38 -0.64 0.23 115.31 120.93 3ixa h LEU 160 Ca -0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ixa h LEU 160 Cb 0.84 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ixa h LEU 160 CO 0.18 0.91 -0.81 1.21 0.09 0.00 0.00 178.44 180.02 3ixa n GLU 161 N -4.32 0.23 0.00 1.13 2.13 -0.51 -4.12 120.64 115.18 3ixa n GLU 161 Ca 0.09 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3ixa n GLU 161 Cb 0.11 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3ixa n GLU 161 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ixa n GLY 162 N 1.39 0.36 0.26 8.31 0.00 -0.73 -4.74 105.19 110.04 3ixa n GLY 162 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3ixa n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ixa h THR 163 N 0.00 0.52 -0.20 2.61 2.02 -1.25 -0.68 112.91 115.93 3ixa h THR 163 Ca 0.00 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3ixa h THR 163 Cb 0.00 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3ixa h THR 163 CO 0.00 0.04 0.06 0.00 0.37 0.00 0.00 175.52 175.99 3ixa h VAL 165 N 0.15 1.20 -0.61 0.00 2.07 -1.45 -1.29 116.25 116.32 3ixa h VAL 165 Ca 0.09 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3ixa h VAL 165 Cb 0.06 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3ixa h VAL 165 CO -0.10 0.22 0.27 -0.33 0.02 0.00 0.00 177.57 177.65 3ixa h GLU 166 N 0.65 0.90 0.01 1.57 5.08 -1.04 -1.27 114.58 120.47 3ixa h GLU 166 Ca 0.17 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3ixa h GLU 166 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ixa h GLU 166 CO -0.02 0.75 -0.88 -1.49 -1.00 0.00 0.00 179.01 176.36 3ixa h TRP 167 N 0.84 0.27 -0.33 4.33 4.06 -1.42 -1.53 115.95 122.18 3ixa h TRP 167 Ca 0.21 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 61.01 3ixa h TRP 167 Cb 0.17 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 3ixa h TRP 167 CO 0.01 0.97 0.20 1.25 -3.56 0.00 0.00 178.44 177.31 3ixa h LEU 168 N 0.10 0.34 -0.58 -4.49 5.85 -1.08 -1.09 115.31 114.36 3ixa h LEU 168 Ca -0.04 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ixa h LEU 168 Cb 1.51 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 3ixa h LEU 168 CO 0.13 0.25 0.28 0.03 -0.34 0.00 0.00 178.44 178.79 3ixa h ARG 169 N 0.42 0.50 -0.13 1.25 3.08 -1.10 -0.30 114.38 118.10 3ixa h ARG 169 Ca 0.12 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3ixa h ARG 169 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3ixa h ARG 169 CO -0.04 0.33 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.05 3ixa h ARG 170 N 0.52 -0.03 -0.79 0.04 2.43 -1.01 -1.53 114.38 114.00 3ixa h ARG 170 Ca 0.27 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3ixa h ARG 170 Cb 0.23 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3ixa h ARG 170 CO -0.21 -0.02 0.35 1.88 -1.51 0.00 0.00 179.97 180.46 3ixa h TYR 171 N -0.03 1.17 -0.74 2.20 0.05 -0.89 -1.39 116.97 117.34 3ixa h TYR 171 Ca 0.07 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3ixa h TYR 171 Cb 0.14 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 3ixa h TYR 171 CO -0.19 0.86 0.37 -0.07 -1.05 0.00 0.00 178.16 178.08 3ixa h LEU 172 N 1.14 0.94 0.20 3.88 3.38 -0.66 0.12 115.31 124.30 3ixa h LEU 172 Ca 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ixa h LEU 172 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ixa h LEU 172 CO -0.03 0.78 -0.09 -0.33 0.09 0.00 0.00 178.44 178.86 3ixa h GLU 173 N 1.04 -0.25 -0.53 1.13 5.08 -0.84 -2.54 114.58 117.67 3ixa h GLU 173 Ca 0.26 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3ixa h GLU 173 Cb 0.08 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ixa h GLU 173 CO -0.04 0.14 0.35 -0.91 -1.00 0.00 0.00 179.01 177.56 3ixa h ASN 174 N -0.86 0.59 -0.69 1.42 2.35 -1.21 -2.78 115.58 114.40 3ixa h ASN 174 Ca -0.03 -0.01 -0.42 0.00 -0.55 0.00 0.00 56.30 55.29 3ixa h ASN 174 Cb 0.51 -0.14 -0.24 0.00 0.05 0.00 0.00 38.32 38.50 3ixa h ASN 174 CO 0.04 0.42 0.12 0.61 -1.65 0.00 0.00 177.43 176.98 3ixa n GLY 175 N -1.46 5.34 0.37 2.83 0.00 0.40 -4.80 105.19 107.86 3ixa n GLY 175 Ca 0.05 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.42 3ixa n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ixa h LYS 176 N 1.44 0.90 -0.04 1.61 2.10 -1.15 0.18 116.57 121.62 3ixa h LYS 176 Ca 0.41 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.95 3ixa h LYS 176 Cb 1.66 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.78 3ixa h LYS 176 CO 0.86 0.60 -0.25 1.49 -2.00 0.00 0.00 179.45 180.15 3ixa h GLU 177 N 0.93 0.06 0.00 0.07 4.81 -1.87 0.22 114.58 118.80 3ixa h GLU 177 Ca 0.41 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.50 3ixa h GLU 177 Cb 0.36 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3ixa h GLU 177 CO -0.18 0.31 -0.72 1.15 -0.73 0.00 0.00 179.01 178.84 3ixa h THR 178 N 0.06 1.15 0.01 0.32 2.02 -1.79 -3.41 112.91 111.26 3ixa h THR 178 Ca 0.01 -2.14 -0.28 0.00 0.77 0.00 0.00 66.41 64.77 3ixa h THR 178 Cb 0.47 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 3ixa h THR 178 CO 0.03 0.39 -1.56 -0.07 0.37 0.00 0.00 175.52 174.69 3ixa h LEU 179 N -1.00 0.02 -3.76 2.58 3.38 -0.61 -3.31 115.31 112.61 3ixa h LEU 179 Ca -0.19 -0.03 -0.47 0.00 0.09 0.00 0.00 57.88 57.28 3ixa h LEU 179 Cb 1.11 -0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.58 3ixa h LEU 179 CO -0.12 1.03 0.59 0.00 0.09 0.00 0.00 178.44 180.03 3ixa n GLN 180 N -3.13 2.13 -4.15 1.13 6.02 0.06 -4.93 117.38 114.50 3ixa n GLN 180 Ca -0.13 -2.65 -0.23 0.00 -0.01 0.00 0.00 57.00 53.97 3ixa n GLN 180 Cb 1.03 -2.04 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 3ixa n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3ixa s ARG 181 N -2.92 2.75 -0.07 -1.09 1.70 -1.25 -4.96 118.95 113.11 3ixa s ARG 181 Ca 0.50 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.71 3ixa s ARG 181 Cb 0.42 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 3ixa s ARG 181 CO 0.09 0.42 -0.18 0.99 -1.08 0.00 0.00 175.30 175.54 3ixa s THR 182 N -2.05 1.54 -0.35 4.99 2.01 -1.26 -4.66 115.64 115.87 3ixa s THR 182 Ca 0.32 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 3ixa s THR 182 Cb -0.08 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.12 3ixa s THR 182 CO 0.23 0.44 0.12 -1.81 -0.69 0.00 0.00 174.62 172.91 3ixa s ASP 183 N 0.33 5.34 0.36 3.53 1.01 -0.25 -4.95 116.67 122.04 3ixa s ASP 183 Ca -0.12 -1.19 -0.28 0.00 0.71 0.00 0.00 52.55 51.67 3ixa s ASP 183 Cb -0.15 -1.88 -0.11 0.00 1.01 0.00 0.00 42.92 41.79 3ixa s ASP 183 CO 0.05 -0.35 1.46 0.00 0.21 0.00 0.00 175.17 176.53 3ixa n ALA 184 N 4.81 2.14 -1.75 5.23 0.00 -1.26 -1.71 120.51 127.97 3ixa n ALA 184 Ca -0.12 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 3ixa n ALA 184 Cb 0.44 -2.39 0.03 0.00 0.00 0.00 0.00 19.45 17.53 3ixa n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ixa n PRO 185 N 0.66 2.03 -3.20 0.00 -0.04 -1.26 -4.62 135.00 128.56 3ixa n PRO 185 Ca 0.03 0.73 -0.39 0.00 -0.04 0.00 0.00 63.50 63.82 3ixa n PRO 185 Cb 0.38 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.20 3ixa n PRO 185 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ixa s LYS 186 N -2.56 4.22 0.14 0.54 1.02 0.50 -4.85 119.74 118.74 3ixa s LYS 186 Ca 0.65 0.50 0.10 0.00 0.02 0.00 0.00 55.97 57.24 3ixa s LYS 186 Cb -0.45 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 3ixa s LYS 186 CO 0.55 -0.13 -0.23 0.95 -0.92 0.00 0.00 175.35 175.56 3ixa s THR 187 N 1.58 2.05 0.18 2.17 -4.23 -1.26 -1.07 115.64 115.05 3ixa s THR 187 Ca 0.26 -1.76 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 3ixa s THR 187 Cb -0.16 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.88 3ixa s THR 187 CO 0.10 -0.05 0.83 -1.38 -0.54 0.00 0.00 174.62 173.58 3ixa s HIS 188 N -1.32 -0.22 0.06 3.99 -3.43 -1.07 -5.01 115.29 108.29 3ixa s HIS 188 Ca 0.13 -0.12 0.08 0.00 -0.80 0.00 0.00 55.06 54.35 3ixa s HIS 188 Cb -0.09 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.68 3ixa s HIS 188 CO 0.06 -0.95 -0.22 -1.64 -2.00 0.00 0.00 174.74 169.99 3ixa s MET 189 N -3.55 1.39 0.28 -0.38 -1.94 -1.26 -0.85 119.30 112.99 3ixa s MET 189 Ca 0.10 -1.04 0.10 0.00 -1.71 0.00 0.00 55.69 53.14 3ixa s MET 189 Cb -0.03 -1.58 -0.05 0.00 2.01 0.00 0.00 34.83 35.19 3ixa s MET 189 CO 0.01 0.39 -0.08 0.95 -0.01 0.00 0.00 175.02 176.29 3ixa s THR 190 N -0.90 3.01 -0.05 2.05 -4.23 -0.05 -4.96 115.64 110.52 3ixa s THR 190 Ca 0.08 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3ixa s THR 190 Cb -0.09 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.14 3ixa s THR 190 CO 0.03 -0.37 0.02 -2.28 -0.54 0.00 0.00 174.62 171.47 3ixa s HIS 191 N -2.41 0.38 -0.06 3.99 2.46 -1.26 -1.46 115.29 116.93 3ixa s HIS 191 Ca 0.31 0.01 0.01 0.00 0.47 0.00 0.00 55.06 55.86 3ixa s HIS 191 Cb -0.05 -0.59 0.02 0.00 -0.13 0.00 0.00 32.58 31.83 3ixa s HIS 191 CO 0.18 -0.23 -0.06 -1.58 -2.47 0.00 0.00 174.74 170.58 3ixa s HIS 192 N 1.75 0.99 -0.04 3.88 5.04 -0.64 -5.01 115.29 121.27 3ixa s HIS 192 Ca 0.01 -0.34 -0.30 0.00 -1.54 0.00 0.00 55.06 52.88 3ixa s HIS 192 Cb -0.13 -0.85 -0.04 0.00 0.04 0.00 0.00 32.58 31.61 3ixa s HIS 192 CO -0.03 -0.27 1.29 0.00 -2.34 0.00 0.00 174.74 173.39 3ixa s ALA 193 N 1.10 3.54 -0.08 1.58 0.00 -1.26 -0.77 121.76 125.87 3ixa s ALA 193 Ca -0.08 0.72 0.14 0.00 0.00 0.00 0.00 51.96 52.75 3ixa s ALA 193 Cb -0.14 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 3ixa s ALA 193 CO -0.01 -0.85 0.95 -0.39 0.00 0.00 0.00 175.76 175.46 3ixa h VAL 194 N 5.00 0.78 -1.65 0.00 -1.51 -1.40 -3.47 116.25 113.99 3ixa h VAL 194 Ca -0.35 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 62.76 3ixa h VAL 194 Cb 1.17 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 3ixa h VAL 194 CO 0.89 0.45 0.00 -1.54 -1.23 0.00 0.00 177.57 176.14 3ixa n SER 195 N -3.04 0.00 0.15 4.19 3.41 -1.07 -4.97 113.62 112.30 3ixa n SER 195 Ca -0.08 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.01 3ixa n SER 195 Cb 0.88 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.29 3ixa n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3ixa h ASP 196 N 0.00 0.00 -0.00 4.04 3.04 -2.04 -3.32 116.42 118.14 3ixa h ASP 196 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3ixa h ASP 196 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3ixa h ASP 196 CO 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 179.24 176.96 3ixa n HIS 197 N -2.47 0.00 -4.22 4.15 1.44 -1.26 -4.88 115.22 107.99 3ixa n HIS 197 Ca 0.03 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 3ixa n HIS 197 Cb 0.34 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.35 3ixa n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3ixa s GLU 198 N -1.46 0.97 -0.07 -1.40 2.02 -1.25 -0.58 118.70 116.92 3ixa s GLU 198 Ca 0.02 -1.36 -0.07 0.00 0.02 0.00 0.00 54.97 53.58 3ixa s GLU 198 Cb 0.04 -0.53 0.02 0.00 0.10 0.00 0.00 34.13 33.76 3ixa s GLU 198 CO 0.21 0.06 0.21 0.00 0.02 0.00 0.00 175.26 175.76 3ixa s ALA 199 N -3.15 -0.51 -0.15 5.21 0.00 -0.06 -0.97 121.76 122.13 3ixa s ALA 199 Ca 0.13 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.38 3ixa s ALA 199 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3ixa s ALA 199 CO -0.01 -0.11 0.83 0.99 0.00 0.00 0.00 175.76 177.46 3ixa s THR 200 N -0.00 4.90 -0.21 0.00 2.01 0.05 -0.18 115.64 122.20 3ixa s THR 200 Ca -0.01 1.64 -0.07 0.00 0.31 0.00 0.00 61.69 63.56 3ixa s THR 200 Cb -0.02 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3ixa s THR 200 CO 0.00 0.06 0.05 -0.76 -0.69 0.00 0.00 174.62 173.28 3ixa s LEU 201 N 1.95 3.56 -0.14 4.42 1.43 0.20 -1.62 118.68 128.48 3ixa s LEU 201 Ca 0.39 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3ixa s LEU 201 Cb -0.17 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3ixa s LEU 201 CO 0.14 0.08 -0.18 -0.60 0.23 0.00 0.00 176.35 176.02 3ixa s ARG 202 N 0.94 2.62 -0.22 1.70 3.52 -0.53 -1.56 118.95 125.43 3ixa s ARG 202 Ca 0.03 -0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 3ixa s ARG 202 Cb -0.14 -2.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 3ixa s ARG 202 CO 0.03 -0.14 0.24 0.00 -0.81 0.00 0.00 175.30 174.62 3ixa s TRP 204 N 1.01 2.82 -0.10 0.00 0.52 -0.03 -1.29 118.94 121.87 3ixa s TRP 204 Ca 0.12 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.18 3ixa s TRP 204 Cb -0.14 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3ixa s TRP 204 CO 0.05 0.29 -0.12 0.00 0.02 0.00 0.00 176.95 177.18 3ixa s ALA 205 N -0.83 1.52 0.17 0.98 0.00 -0.41 -2.61 121.76 120.59 3ixa s ALA 205 Ca 0.13 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.52 3ixa s ALA 205 Cb -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3ixa s ALA 205 CO 0.03 -0.15 -0.12 -0.51 0.00 0.00 0.00 175.76 175.00 3ixa s LEU 206 N 1.15 2.54 -1.51 0.00 1.43 -0.24 -1.40 118.68 120.66 3ixa s LEU 206 Ca -0.04 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 3ixa s LEU 206 Cb -0.14 -0.50 0.07 0.00 0.03 0.00 0.00 46.19 45.65 3ixa s LEU 206 CO -0.03 -0.26 0.74 -1.20 0.23 0.00 0.00 176.35 175.84 3ixa n SER 207 N -0.27 -2.70 -4.76 2.29 7.64 -0.99 -0.37 113.62 114.46 3ixa n SER 207 Ca -0.09 -0.91 -0.24 0.00 1.01 0.00 0.00 58.87 58.64 3ixa n SER 207 Cb 0.60 -3.40 -0.06 0.00 -1.01 0.00 0.00 64.21 60.35 3ixa n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3ixa s PHE 208 N -3.52 3.00 -0.20 1.43 -0.12 -0.97 -4.64 117.98 112.95 3ixa s PHE 208 Ca 0.41 -0.12 -0.14 0.00 -0.05 0.00 0.00 56.93 57.04 3ixa s PHE 208 Cb -0.22 -1.38 0.06 0.00 -0.63 0.00 0.00 43.02 40.85 3ixa s PHE 208 CO 0.87 0.54 0.52 -0.47 -0.05 0.00 0.00 175.22 176.62 3ixa s TYR 209 N -2.02 -0.70 0.93 3.49 5.04 -0.70 -0.38 117.35 123.02 3ixa s TYR 209 Ca 0.31 1.53 -0.16 0.00 -2.44 0.00 0.00 57.07 56.31 3ixa s TYR 209 Cb -0.08 0.33 0.23 0.00 0.35 0.00 0.00 41.96 42.78 3ixa s TYR 209 CO 0.23 -0.36 0.99 -0.35 -1.34 0.00 0.00 175.55 174.71 3ixa n PRO 210 N 3.77 -2.08 0.13 4.97 -0.04 -1.26 -1.09 135.00 139.40 3ixa n PRO 210 Ca -0.19 -1.55 -0.01 0.00 -0.04 0.00 0.00 63.50 61.71 3ixa n PRO 210 Cb 0.56 -1.26 0.23 0.00 -0.04 0.00 0.00 33.50 32.99 3ixa n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ixa h ALA 211 N -2.29 1.11 -2.37 0.55 0.00 -1.96 -3.44 119.26 110.85 3ixa h ALA 211 Ca -0.35 -0.46 -0.54 0.00 0.00 0.00 0.00 54.91 53.57 3ixa h ALA 211 Cb 1.02 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ixa h ALA 211 CO 0.23 0.63 1.17 -1.91 0.00 0.00 0.00 179.25 179.38 3ixa n GLU 212 N -3.96 2.77 -3.63 0.00 4.07 -1.26 -4.99 120.64 113.65 3ixa n GLU 212 Ca -0.02 1.01 -0.16 0.00 -0.06 0.00 0.00 57.16 57.94 3ixa n GLU 212 Cb 0.52 -2.93 -0.07 0.00 -0.06 0.00 0.00 31.44 28.89 3ixa n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3ixa s ILE 213 N 3.76 0.02 -0.14 6.31 2.07 -1.26 -4.63 121.20 127.32 3ixa s ILE 213 Ca 0.87 -0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.98 3ixa s ILE 213 Cb -0.48 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.27 3ixa s ILE 213 CO 0.41 -0.08 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.28 3ixa s THR 214 N -0.92 2.34 -0.18 4.00 2.01 -0.13 -4.99 115.64 117.75 3ixa s THR 214 Ca -0.10 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 3ixa s THR 214 Cb -0.02 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 3ixa s THR 214 CO 0.06 0.53 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.64 3ixa s LEU 215 N 0.79 2.56 0.03 4.42 1.02 -1.26 -0.68 118.68 125.56 3ixa s LEU 215 Ca -0.07 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.62 3ixa s LEU 215 Cb -0.16 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.43 3ixa s LEU 215 CO -0.01 0.04 -0.04 0.42 0.02 0.00 0.00 176.35 176.78 3ixa s THR 216 N 1.10 0.25 -0.07 5.49 -4.23 -0.73 -4.95 115.64 112.50 3ixa s THR 216 Ca 0.00 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3ixa s THR 216 Cb -0.14 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 3ixa s THR 216 CO -0.04 -0.50 0.03 0.26 -0.54 0.00 0.00 174.62 173.84 3ixa s TRP 217 N -1.59 3.23 0.21 3.99 0.52 -1.26 0.12 118.94 124.15 3ixa s TRP 217 Ca -0.13 0.23 0.10 0.00 0.02 0.00 0.00 56.10 56.33 3ixa s TRP 217 Cb -0.09 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 3ixa s TRP 217 CO -0.01 0.51 -0.20 -0.65 0.02 0.00 0.00 176.95 176.62 3ixa s GLN 218 N -1.06 1.46 -0.15 4.98 -0.21 0.11 -2.00 119.66 122.80 3ixa s GLN 218 Ca 0.15 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.98 3ixa s GLN 218 Cb -0.11 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.33 3ixa s GLN 218 CO 0.04 0.32 -0.11 0.50 -2.12 0.00 0.00 175.29 173.93 3ixa s ARG 219 N -3.00 1.95 -1.52 2.91 3.52 0.39 -1.45 118.95 121.74 3ixa s ARG 219 Ca 0.21 -0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 3ixa s ARG 219 Cb -0.06 -2.00 0.11 0.00 -1.56 0.00 0.00 34.95 31.44 3ixa s ARG 219 CO 0.10 -0.30 0.75 -0.25 -0.81 0.00 0.00 175.30 174.79 3ixa n ASP 220 N 4.82 -3.95 0.00 -2.12 8.00 0.31 -1.05 116.55 122.56 3ixa n ASP 220 Ca -0.15 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3ixa n ASP 220 Cb 0.49 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3ixa n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ixa n GLY 221 N -1.41 0.70 3.59 0.44 0.00 -1.26 -5.02 105.19 102.23 3ixa n GLY 221 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3ixa n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ixa s GLU 222 N -0.10 2.94 0.18 1.61 -1.05 -0.22 -5.02 118.70 117.05 3ixa s GLU 222 Ca 0.00 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.00 3ixa s GLU 222 Cb 0.00 -2.68 -0.09 0.00 -0.44 0.00 0.00 34.13 30.92 3ixa s GLU 222 CO 0.00 0.61 1.38 -0.51 0.95 0.00 0.00 175.26 177.69 3ixa s ASP 223 N -0.66 6.80 -0.54 0.83 1.11 -1.26 -0.46 116.67 122.49 3ixa s ASP 223 Ca 0.10 2.45 0.01 0.00 0.18 0.00 0.00 52.55 55.30 3ixa s ASP 223 Cb -0.12 -2.61 0.50 0.00 1.07 0.00 0.00 42.92 41.77 3ixa s ASP 223 CO 0.02 -0.62 1.83 0.00 1.18 0.00 0.00 175.17 177.58 3ixa n GLN 224 N 3.02 2.68 -0.22 8.23 1.13 -0.85 -4.83 117.38 126.55 3ixa n GLN 224 Ca 0.08 -3.37 -0.01 0.00 -1.94 0.00 0.00 57.00 51.76 3ixa n GLN 224 Cb 0.42 -2.23 0.11 0.00 0.11 0.00 0.00 30.24 28.65 3ixa n GLN 224 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ixa h THR 225 N 1.19 0.88 0.00 5.09 1.03 -1.92 -1.30 112.91 117.88 3ixa h THR 225 Ca 0.54 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 3ixa h THR 225 Cb 1.37 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 3ixa h THR 225 CO 1.27 0.10 0.00 1.56 -0.01 0.00 0.00 175.52 178.44 3ixa h GLN 226 N 0.56 0.00 -0.45 0.00 4.20 -2.00 -3.03 115.11 114.39 3ixa h GLN 226 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3ixa h GLN 226 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3ixa h GLN 226 CO -0.24 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.67 3ixa n ASP 227 N -3.06 4.27 -4.59 1.46 8.00 -0.56 -4.94 116.55 117.12 3ixa n ASP 227 Ca 0.02 -2.63 -0.36 0.00 0.71 0.00 0.00 54.79 52.54 3ixa n ASP 227 Cb 0.39 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 3ixa n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ixa s THR 228 N -2.16 4.83 -0.29 -3.53 2.01 -0.77 -4.52 115.64 111.21 3ixa s THR 228 Ca 0.43 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.18 3ixa s THR 228 Cb 0.31 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3ixa s THR 228 CO 0.16 0.40 0.85 -0.70 -0.69 0.00 0.00 174.62 174.64 3ixa s GLU 229 N 0.88 4.04 -0.22 4.92 2.12 0.41 -4.92 118.70 125.93 3ixa s GLU 229 Ca 0.05 0.78 0.01 0.00 0.36 0.00 0.00 54.97 56.17 3ixa s GLU 229 Cb -0.13 -3.71 0.05 0.00 0.26 0.00 0.00 34.13 30.60 3ixa s GLU 229 CO 0.03 -0.68 -0.10 -1.17 -0.54 0.00 0.00 175.26 172.80 3ixa s LEU 230 N 3.05 2.57 0.47 2.70 2.96 -1.26 -0.55 118.68 128.62 3ixa s LEU 230 Ca 0.35 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.07 3ixa s LEU 230 Cb -0.14 -1.31 -0.08 0.00 0.50 0.00 0.00 46.19 45.16 3ixa s LEU 230 CO 0.11 -0.16 0.93 0.68 -1.32 0.00 0.00 176.35 176.59 3ixa s VAL 231 N 1.32 4.56 0.26 1.68 -7.23 -0.95 -5.02 120.40 115.03 3ixa s VAL 231 Ca -0.03 1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 60.98 3ixa s VAL 231 Cb -0.17 -3.69 -0.12 0.00 0.56 0.00 0.00 36.38 32.95 3ixa s VAL 231 CO -0.07 -0.56 1.56 1.21 -0.31 0.00 0.00 175.10 176.92 3ixa n GLU 232 N -1.29 2.52 -1.66 4.82 2.13 -1.26 -4.63 120.64 121.27 3ixa n GLU 232 Ca 0.06 0.90 -0.47 0.00 0.66 0.00 0.00 57.16 58.31 3ixa n GLU 232 Cb 0.54 -2.66 -0.04 0.00 0.27 0.00 0.00 31.44 29.55 3ixa n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3ixa n THR 233 N 2.36 0.22 -4.19 6.31 -1.04 -1.26 -4.87 114.28 111.82 3ixa n THR 233 Ca 0.11 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.88 3ixa n THR 233 Cb 0.35 -1.41 -0.12 0.00 -1.82 0.00 0.00 70.33 67.33 3ixa n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixa s ARG 234 N 0.54 0.80 0.24 -2.82 1.70 -0.37 -4.96 118.95 114.09 3ixa s ARG 234 Ca 0.77 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.83 3ixa s ARG 234 Cb -0.71 -0.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.78 3ixa s ARG 234 CO 0.42 0.18 1.01 -1.25 -1.08 0.00 0.00 175.30 174.58 3ixa s PRO 235 N -1.63 4.75 0.39 3.89 0.04 -1.26 -0.86 135.00 140.32 3ixa s PRO 235 Ca -0.02 1.62 0.21 0.00 0.04 0.00 0.00 61.00 62.84 3ixa s PRO 235 Cb -0.10 -3.25 0.40 0.00 0.04 0.00 0.00 34.50 31.59 3ixa s PRO 235 CO 0.02 0.36 1.61 0.00 0.04 0.00 0.00 177.00 179.03 3ixa h ALA 236 N 4.17 0.88 0.00 8.56 0.00 -1.15 -3.47 119.26 128.25 3ixa h ALA 236 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ixa h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ixa h ALA 236 CO 0.68 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.63 3ixa n GLY 237 N 0.92 0.49 0.86 0.00 0.00 -1.26 -4.94 105.19 101.26 3ixa n GLY 237 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3ixa n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ixa n ASP 238 N 0.00 2.99 0.00 1.61 5.68 -1.26 -4.93 116.55 120.64 3ixa n ASP 238 Ca 0.00 -3.37 0.00 0.00 -0.50 0.00 0.00 54.79 50.92 3ixa n ASP 238 Cb 0.00 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 3ixa n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ixa n GLY 239 N -0.93 0.94 3.77 6.12 0.00 -1.26 -5.05 105.19 108.79 3ixa n GLY 239 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3ixa n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ixa s THR 240 N -2.60 1.58 0.20 2.61 -4.23 -1.26 -4.86 115.64 107.08 3ixa s THR 240 Ca 0.00 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 3ixa s THR 240 Cb 0.00 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 3ixa s THR 240 CO 0.00 0.00 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.58 3ixa s PHE 241 N -2.78 1.67 0.04 3.99 0.40 0.49 -0.57 117.98 121.21 3ixa s PHE 241 Ca 0.22 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3ixa s PHE 241 Cb 0.02 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 3ixa s PHE 241 CO 0.12 0.33 -0.10 -0.65 0.70 0.00 0.00 175.22 175.63 3ixa s GLN 242 N -3.66 0.64 -0.09 0.44 -0.21 -0.04 -2.28 119.66 114.46 3ixa s GLN 242 Ca 0.22 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 54.71 3ixa s GLN 242 Cb -0.00 -0.52 0.04 0.00 1.00 0.00 0.00 33.01 33.53 3ixa s GLN 242 CO 0.06 0.12 0.44 0.21 -2.12 0.00 0.00 175.29 174.00 3ixa s LYS 243 N -1.30 0.68 0.15 2.91 2.20 -0.49 -1.23 119.74 122.66 3ixa s LYS 243 Ca -0.05 0.25 0.05 0.00 -0.36 0.00 0.00 55.97 55.86 3ixa s LYS 243 Cb -0.08 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 3ixa s LYS 243 CO 0.01 -0.16 -0.11 1.67 -0.36 0.00 0.00 175.35 176.40 3ixa s TRP 244 N -0.62 1.35 -0.03 4.03 1.48 -1.26 -1.28 118.94 122.60 3ixa s TRP 244 Ca -0.07 -0.70 0.01 0.00 -1.06 0.00 0.00 56.10 54.28 3ixa s TRP 244 Cb -0.03 -0.68 0.01 0.00 -1.16 0.00 0.00 33.47 31.62 3ixa s TRP 244 CO 0.04 0.14 -0.04 0.00 -4.06 0.00 0.00 176.95 173.02 3ixa s ALA 245 N -3.11 0.57 -0.00 2.67 0.00 -0.41 -2.24 121.76 119.22 3ixa s ALA 245 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3ixa s ALA 245 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3ixa s ALA 245 CO 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 175.76 175.67 3ixa s ALA 246 N 0.61 1.09 -0.00 0.00 0.00 0.29 -0.09 121.76 123.65 3ixa s ALA 246 Ca -0.08 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3ixa s ALA 246 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3ixa s ALA 246 CO -0.00 0.26 -0.18 0.14 0.00 0.00 0.00 175.76 175.98 3ixa s VAL 247 N -0.37 1.39 -0.17 0.00 -7.23 -0.60 -0.44 120.40 112.98 3ixa s VAL 247 Ca 0.05 -0.82 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 3ixa s VAL 247 Cb -0.05 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 3ixa s VAL 247 CO -0.00 0.34 0.27 -0.69 -0.31 0.00 0.00 175.10 174.70 3ixa s VAL 248 N -0.49 5.32 0.02 1.32 1.01 -1.26 -0.63 120.40 125.70 3ixa s VAL 248 Ca 0.06 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3ixa s VAL 248 Cb -0.07 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ixa s VAL 248 CO -0.00 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.72 3ixa s VAL 249 N 0.46 0.61 0.18 2.92 1.01 0.74 -4.95 120.40 121.37 3ixa s VAL 249 Ca 0.15 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3ixa s VAL 249 Cb -0.13 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 3ixa s VAL 249 CO 0.03 -0.09 1.25 -2.16 0.00 0.00 0.00 175.10 174.12 3ixa s PRO 250 N -0.89 4.44 0.18 2.72 0.05 -1.26 -0.88 135.00 139.36 3ixa s PRO 250 Ca -0.03 1.94 -0.33 0.00 0.05 0.00 0.00 61.00 62.63 3ixa s PRO 250 Cb -0.06 -3.23 -0.14 0.00 0.05 0.00 0.00 34.50 31.12 3ixa s PRO 250 CO 0.00 -0.17 1.52 0.43 0.05 0.00 0.00 177.00 178.84 3ixa n SER 251 N 2.64 2.93 0.00 6.66 7.64 0.25 -1.46 113.62 132.28 3ixa n SER 251 Ca 0.05 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3ixa n SER 251 Cb 0.44 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3ixa n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ixa n GLY 252 N 3.04 2.03 0.49 0.23 0.00 -1.26 -4.90 105.19 104.82 3ixa n GLY 252 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3ixa n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ixa n GLN 253 N -1.51 1.54 -0.33 1.61 6.02 -0.53 -4.68 117.38 119.49 3ixa n GLN 253 Ca 0.00 -1.51 0.21 0.00 -0.01 0.00 0.00 57.00 55.68 3ixa n GLN 253 Cb 0.00 -1.22 0.46 0.00 1.02 0.00 0.00 30.24 30.50 3ixa n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3ixa h GLU 254 N 1.92 0.46 0.00 -1.09 3.07 -1.91 -1.34 114.58 115.68 3ixa h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3ixa h GLU 254 Cb 0.55 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3ixa h GLU 254 CO 0.00 0.30 0.00 1.96 -1.40 0.00 0.00 179.01 179.87 3ixa h GLN 255 N 0.47 0.00 0.00 2.33 7.50 -1.84 -1.15 115.11 122.42 3ixa h GLN 255 Ca 0.60 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.75 3ixa h GLN 255 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.91 3ixa h GLN 255 CO -0.35 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 176.98 3ixa h ARG 256 N 0.00 0.00 -5.41 1.46 3.08 -1.60 -3.44 114.38 108.46 3ixa h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3ixa h ARG 256 Cb 0.38 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.30 3ixa h ARG 256 CO 0.00 0.00 -0.54 0.71 -1.07 0.00 0.00 179.97 179.07 3ixa s TYR 257 N -3.41 3.34 0.01 3.04 2.02 -0.44 -0.53 117.35 121.39 3ixa s TYR 257 Ca 0.04 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.01 3ixa s TYR 257 Cb 0.09 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3ixa s TYR 257 CO 0.49 0.32 -0.13 0.95 -1.57 0.00 0.00 175.55 175.62 3ixa s THR 258 N -0.02 0.99 -0.11 -0.71 -4.23 -0.53 -4.11 115.64 106.92 3ixa s THR 258 Ca 0.07 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3ixa s THR 258 Cb -0.12 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 3ixa s THR 258 CO 0.00 0.15 0.02 0.00 -0.54 0.00 0.00 174.62 174.26 3ixa s HIS 260 N -0.54 2.50 -0.10 0.00 3.76 0.12 -0.40 115.29 120.62 3ixa s HIS 260 Ca 0.10 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 53.90 3ixa s HIS 260 Cb -0.12 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.89 3ixa s HIS 260 CO 0.02 -0.49 -0.15 0.08 -0.85 0.00 0.00 174.74 173.35 3ixa s VAL 261 N 0.59 1.48 -0.06 -0.90 1.01 -0.14 -1.77 120.40 120.61 3ixa s VAL 261 Ca -0.13 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3ixa s VAL 261 Cb -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3ixa s VAL 261 CO 0.04 0.44 -0.17 -1.10 0.00 0.00 0.00 175.10 174.30 3ixa s GLN 262 N 0.94 2.01 -0.19 2.72 -0.21 0.14 -1.19 119.66 123.89 3ixa s GLN 262 Ca -0.08 -0.61 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 3ixa s GLN 262 Cb -0.15 -1.66 0.09 0.00 1.00 0.00 0.00 33.01 32.28 3ixa s GLN 262 CO -0.01 0.18 0.79 -1.58 -2.12 0.00 0.00 175.29 172.56 3ixa s HIS 263 N 0.25 -0.64 0.08 0.91 2.46 -1.26 -0.96 115.29 116.12 3ixa s HIS 263 Ca -0.09 1.38 0.32 0.00 0.47 0.00 0.00 55.06 57.13 3ixa s HIS 263 Cb -0.14 0.35 1.58 0.00 -0.13 0.00 0.00 32.58 34.24 3ixa s HIS 263 CO 0.04 -0.42 1.96 1.05 -2.47 0.00 0.00 174.74 174.90 3ixa h GLU 264 N 3.91 0.00 -0.09 2.88 4.11 -1.95 -0.99 114.58 122.46 3ixa h GLU 264 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3ixa h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3ixa h GLU 264 CO 0.20 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.69 3ixa n GLY 265 N -0.71 0.02 3.44 1.06 0.00 -1.26 -4.72 105.19 103.03 3ixa n GLY 265 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3ixa n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixa s LEU 266 N -1.76 4.78 0.28 0.99 1.43 -0.38 -4.51 118.68 119.50 3ixa s LEU 266 Ca 0.35 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3ixa s LEU 266 Cb 0.19 -2.10 0.61 0.00 0.03 0.00 0.00 46.19 44.92 3ixa s LEU 266 CO 0.29 -0.36 1.77 1.55 0.23 0.00 0.00 176.35 179.83 3ixa h PRO 267 N 8.52 0.68 -5.99 1.29 0.13 -1.84 -3.40 132.00 131.39 3ixa h PRO 267 Ca -0.28 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 3ixa h PRO 267 Cb 1.12 -0.15 -0.26 0.00 0.13 0.00 0.00 31.00 31.84 3ixa h PRO 267 CO 0.68 0.45 -0.84 0.15 -0.23 0.00 0.00 178.00 178.22 3ixa s LYS 268 N -5.93 1.35 0.33 0.86 1.02 -1.26 -5.13 119.74 110.98 3ixa s LYS 268 Ca -0.12 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 3ixa s LYS 268 Cb 0.23 -1.44 -0.13 0.00 -0.52 0.00 0.00 37.83 35.97 3ixa s LYS 268 CO 0.79 0.37 1.14 -2.30 -0.92 0.00 0.00 175.35 174.43 3ixa n PRO 269 N 1.91 1.71 -3.17 -1.68 -0.02 -1.26 -4.98 135.00 127.51 3ixa n PRO 269 Ca -0.17 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 3ixa n PRO 269 Cb 0.53 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 3ixa n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ixa s LEU 270 N -0.33 4.48 -0.21 2.45 1.43 -0.33 -4.91 118.68 121.26 3ixa s LEU 270 Ca 0.58 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3ixa s LEU 270 Cb -0.63 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3ixa s LEU 270 CO 0.61 0.16 -0.12 -0.89 0.23 0.00 0.00 176.35 176.34 3ixa s THR 271 N -0.60 2.62 -0.13 5.49 2.01 -1.26 -0.96 115.64 122.81 3ixa s THR 271 Ca 0.32 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 3ixa s THR 271 Cb -0.20 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3ixa s THR 271 CO 0.20 0.41 0.02 -0.76 -0.69 0.00 0.00 174.62 173.79 3ixa s LEU 272 N 1.34 3.62 0.17 4.42 2.01 0.46 -4.95 118.68 125.76 3ixa s LEU 272 Ca 0.04 0.08 0.07 0.00 0.01 0.00 0.00 54.13 54.32 3ixa s LEU 272 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 3ixa s LEU 272 CO -0.08 0.27 -0.14 -0.13 1.01 0.00 0.00 176.35 177.28 3ixa s ARG 273 N -0.23 1.20 0.00 1.70 0.52 -1.26 -1.28 118.95 119.60 3ixa s ARG 273 Ca 0.06 -1.47 0.19 0.00 -0.52 0.00 0.00 55.73 53.99 3ixa s ARG 273 Cb -0.12 -0.98 0.38 0.00 0.52 0.00 0.00 34.95 34.74 3ixa s ARG 273 CO 0.02 0.17 1.31 0.91 0.02 0.00 0.00 175.30 177.73 3ixa n TRP 274 N -0.09 0.48 -0.22 -0.53 7.02 -1.26 -5.07 117.44 117.77 3ixa n TRP 274 Ca -0.10 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.08 3ixa n TRP 274 Cb 0.59 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 3ixa n TRP 274 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82