#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe s SER 2 N 0.00 5.95 0.22 1.61 1.04 -1.26 -4.00 113.70 117.26 2uwe s SER 2 Ca 0.00 2.01 0.02 0.00 0.48 0.00 0.00 55.95 58.47 2uwe s SER 2 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2uwe s SER 2 CO 0.00 -1.06 0.02 -1.00 0.98 0.00 0.00 173.24 172.19 2uwe s HIS 3 N -1.98 1.45 0.05 5.02 4.02 -0.80 -4.95 115.29 118.10 2uwe s HIS 3 Ca 0.69 -1.02 -0.09 0.00 1.02 0.00 0.00 55.06 55.67 2uwe s HIS 3 Cb -0.19 -0.84 0.00 0.00 -1.02 0.00 0.00 32.58 30.52 2uwe s HIS 3 CO 0.26 -0.17 0.18 -1.54 1.02 0.00 0.00 174.74 174.50 2uwe s SER 4 N -3.27 0.08 -0.06 1.40 1.04 -1.26 -0.49 113.70 111.14 2uwe s SER 4 Ca 0.29 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2uwe s SER 4 Cb 0.06 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2uwe s SER 4 CO 0.09 -0.60 -0.13 -0.32 0.98 0.00 0.00 173.24 173.26 2uwe s MET 5 N -2.93 1.67 0.00 4.02 -2.45 -0.58 -1.20 119.30 117.83 2uwe s MET 5 Ca -0.02 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 2uwe s MET 5 Cb 0.01 -1.40 -0.01 0.00 1.25 0.00 0.00 34.83 34.67 2uwe s MET 5 CO -0.06 0.09 -0.07 1.03 1.05 0.00 0.00 175.02 177.06 2uwe s ARG 6 N 0.47 0.55 -0.07 4.11 1.81 -0.45 -1.82 118.95 123.55 2uwe s ARG 6 Ca -0.11 -0.34 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 2uwe s ARG 6 Cb -0.14 -0.51 -0.01 0.00 -0.45 0.00 0.00 34.95 33.84 2uwe s ARG 6 CO 0.03 0.13 -0.20 0.71 -0.68 0.00 0.00 175.30 175.30 2uwe s TYR 7 N -0.37 2.58 -0.12 -0.53 1.51 -0.10 -0.38 117.35 119.94 2uwe s TYR 7 Ca 0.01 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2uwe s TYR 7 Cb -0.04 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2uwe s TYR 7 CO -0.00 -0.13 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.06 2uwe s PHE 8 N -0.17 2.35 -0.10 2.71 0.40 -0.03 -2.32 117.98 120.82 2uwe s PHE 8 Ca -0.02 -1.13 0.04 0.00 -0.60 0.00 0.00 56.93 55.22 2uwe s PHE 8 Cb -0.14 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.77 2uwe s PHE 8 CO 0.04 -0.53 -0.22 -0.06 0.70 0.00 0.00 175.22 175.14 2uwe s PHE 9 N 0.82 2.41 -0.13 0.36 0.08 0.70 -1.25 117.98 120.96 2uwe s PHE 9 Ca -0.08 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 55.97 2uwe s PHE 9 Cb -0.16 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2uwe s PHE 9 CO -0.00 -0.41 -0.11 0.99 -0.10 0.00 0.00 175.22 175.58 2uwe s THR 10 N 0.42 1.35 -0.15 0.64 2.01 0.15 -1.04 115.64 119.02 2uwe s THR 10 Ca -0.18 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2uwe s THR 10 Cb -0.18 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2uwe s THR 10 CO 0.08 0.42 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.68 2uwe s SER 11 N 1.58 3.30 -0.12 3.53 0.15 0.34 -0.96 113.70 121.51 2uwe s SER 11 Ca 0.05 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.14 2uwe s SER 11 Cb -0.13 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 2uwe s SER 11 CO -0.10 0.06 -0.16 -0.69 1.20 0.00 0.00 173.24 173.55 2uwe s VAL 12 N 0.94 1.63 0.12 4.45 1.01 0.05 -0.30 120.40 128.29 2uwe s VAL 12 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2uwe s VAL 12 Cb -0.15 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 2uwe s VAL 12 CO -0.04 0.47 1.23 -0.94 0.00 0.00 0.00 175.10 175.82 2uwe s SER 13 N 1.06 7.04 -0.38 3.32 1.04 -0.53 -0.66 113.70 124.59 2uwe s SER 13 Ca -0.04 2.15 -0.01 0.00 0.48 0.00 0.00 55.95 58.52 2uwe s SER 13 Cb -0.15 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.49 2uwe s SER 13 CO -0.04 -0.46 0.15 -0.13 0.98 0.00 0.00 173.24 173.74 2uwe s ARG 14 N 0.55 1.92 0.54 4.02 0.52 -1.26 -4.10 118.95 121.13 2uwe s ARG 14 Ca 0.57 -1.78 0.27 0.00 -0.52 0.00 0.00 55.73 54.27 2uwe s ARG 14 Cb -0.32 -3.45 1.53 0.00 0.52 0.00 0.00 34.95 33.23 2uwe s ARG 14 CO 0.32 -1.00 2.12 -1.35 0.02 0.00 0.00 175.30 175.42 2uwe h PRO 15 N 7.94 0.00 -0.25 3.54 0.11 -1.87 -2.68 132.00 138.79 2uwe h PRO 15 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2uwe h PRO 15 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2uwe h PRO 15 CO 0.64 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 2uwe n GLY 16 N -0.91 1.44 3.41 -0.55 0.00 -1.26 -4.97 105.19 102.35 2uwe n GLY 16 Ca -0.02 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2uwe n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uwe s ARG 17 N -1.65 1.51 0.38 1.61 1.81 -1.01 -5.05 118.95 116.54 2uwe s ARG 17 Ca 0.34 -1.71 0.27 0.00 -1.72 0.00 0.00 55.73 52.92 2uwe s ARG 17 Cb 0.21 -1.35 0.97 0.00 -0.45 0.00 0.00 34.95 34.34 2uwe s ARG 17 CO 0.31 0.19 1.80 0.78 -0.68 0.00 0.00 175.30 177.69 2uwe h GLY 18 N 2.38 0.00 -5.03 -3.53 0.00 -1.94 -3.45 103.07 91.50 2uwe h GLY 18 Ca -0.39 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 2uwe h GLY 18 CO 0.63 0.00 -0.70 -0.54 0.00 0.00 0.00 176.54 175.94 2uwe s GLU 19 N -3.38 0.29 0.99 4.80 2.02 -1.26 -5.13 118.70 117.03 2uwe s GLU 19 Ca 0.05 -0.55 -0.12 0.00 0.02 0.00 0.00 54.97 54.37 2uwe s GLU 19 Cb 0.09 0.10 0.18 0.00 0.10 0.00 0.00 34.13 34.60 2uwe s GLU 19 CO 0.53 -0.05 1.09 -1.25 0.02 0.00 0.00 175.26 175.60 2uwe s PRO 20 N -1.32 0.49 -0.17 0.39 0.04 -1.26 -4.45 135.00 128.72 2uwe s PRO 20 Ca -0.14 0.63 -0.08 0.00 0.04 0.00 0.00 61.00 61.45 2uwe s PRO 20 Cb -0.09 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2uwe s PRO 20 CO -0.01 -2.71 0.08 0.50 0.04 0.00 0.00 177.00 174.90 2uwe s ARG 21 N -4.91 3.89 -0.08 4.56 6.06 0.17 -4.94 118.95 123.70 2uwe s ARG 21 Ca 0.65 -0.29 0.01 0.00 -2.50 0.00 0.00 55.73 53.60 2uwe s ARG 21 Cb -0.19 -3.23 0.02 0.00 0.06 0.00 0.00 34.95 31.61 2uwe s ARG 21 CO 0.58 0.38 -0.11 0.12 -2.50 0.00 0.00 175.30 173.77 2uwe s PHE 22 N 0.10 1.47 -0.06 5.12 5.36 -1.26 -0.77 117.98 127.93 2uwe s PHE 22 Ca 0.06 -0.60 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 2uwe s PHE 22 Cb -0.12 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 41.46 2uwe s PHE 22 CO 0.00 -0.35 -0.12 0.42 -1.46 0.00 0.00 175.22 173.72 2uwe s ILE 23 N 0.97 1.08 -0.08 3.12 1.01 -0.14 -1.58 121.20 125.59 2uwe s ILE 23 Ca -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.14 2uwe s ILE 23 Cb -0.15 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2uwe s ILE 23 CO 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 174.94 175.11 2uwe s ALA 24 N 0.66 1.67 0.00 9.38 0.00 -0.23 -0.67 121.76 132.58 2uwe s ALA 24 Ca -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2uwe s ALA 24 Cb -0.16 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2uwe s ALA 24 CO 0.03 0.20 -0.13 0.14 0.00 0.00 0.00 175.76 176.00 2uwe s VAL 25 N 0.50 1.00 -0.13 0.00 -7.23 -0.38 -0.40 120.40 113.77 2uwe s VAL 25 Ca -0.16 -0.67 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2uwe s VAL 25 Cb -0.17 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 2uwe s VAL 25 CO 0.06 0.19 -0.03 -0.83 -0.31 0.00 0.00 175.10 174.18 2uwe s GLY 26 N -0.54 1.76 0.01 2.32 0.00 -0.61 -0.85 107.32 109.40 2uwe s GLY 26 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2uwe s GLY 26 CO 0.00 -0.28 -0.23 -0.19 0.00 0.00 0.00 173.10 172.40 2uwe s TYR 27 N -0.13 2.05 -0.20 1.90 1.51 0.49 -0.30 117.35 122.67 2uwe s TYR 27 Ca 0.03 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2uwe s TYR 27 Cb -0.13 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2uwe s TYR 27 CO 0.02 0.04 -0.15 0.08 -1.11 0.00 0.00 175.55 174.43 2uwe s VAL 28 N -0.67 2.42 0.00 0.71 1.01 0.39 -1.35 120.40 122.90 2uwe s VAL 28 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2uwe s VAL 28 Cb -0.09 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2uwe s VAL 28 CO 0.01 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.04 2uwe n ASP 29 N 4.65 0.00 -0.64 3.32 8.00 -0.34 -1.18 116.55 130.37 2uwe n ASP 29 Ca -0.20 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.39 2uwe n ASP 29 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.65 2uwe n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2uwe n ASP 30 N 6.90 2.30 -4.65 -2.24 8.00 -1.26 -4.92 116.55 120.68 2uwe n ASP 30 Ca 0.00 -1.65 -0.38 0.00 0.71 0.00 0.00 54.79 53.47 2uwe n ASP 30 Cb 0.00 0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.12 2uwe n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2uwe s THR 31 N -1.59 5.25 0.21 -3.53 2.01 -0.32 -5.08 115.64 112.60 2uwe s THR 31 Ca 0.19 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 2uwe s THR 31 Cb 0.14 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.94 2uwe s THR 31 CO 0.27 0.26 0.99 -1.58 -0.69 0.00 0.00 174.62 173.87 2uwe s GLN 32 N 1.40 4.76 0.00 4.92 0.74 -1.26 -0.46 119.66 129.76 2uwe s GLN 32 Ca 0.14 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.10 2uwe s GLN 32 Cb -0.15 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.68 2uwe s GLN 32 CO 0.07 0.36 0.00 1.97 -0.55 0.00 0.00 175.29 177.14 2uwe n PHE 33 N 1.83 0.00 -4.12 1.67 1.16 0.59 -3.88 117.46 114.70 2uwe n PHE 33 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.45 2uwe n PHE 33 Cb 0.47 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 2uwe n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2uwe s VAL 34 N -1.59 0.68 0.00 1.97 -7.23 -1.22 -0.04 120.40 112.98 2uwe s VAL 34 Ca 0.00 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2uwe s VAL 34 Cb 0.00 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.79 2uwe s VAL 34 CO 0.00 -0.59 0.19 0.00 -0.31 0.00 0.00 175.10 174.38 2uwe s ARG 35 N -2.64 0.55 -0.02 4.82 1.70 -0.13 -1.58 118.95 121.65 2uwe s ARG 35 Ca 0.01 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 2uwe s ARG 35 Cb -0.03 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 2uwe s ARG 35 CO -0.02 -0.14 -0.00 0.12 -1.08 0.00 0.00 175.30 174.18 2uwe s PHE 36 N -1.51 0.23 -0.09 5.89 5.36 0.47 -0.36 117.98 127.97 2uwe s PHE 36 Ca -0.13 0.00 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2uwe s PHE 36 Cb -0.06 -0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.37 2uwe s PHE 36 CO 0.02 -0.07 -0.06 0.34 -1.46 0.00 0.00 175.22 173.99 2uwe s ASP 37 N 0.59 1.88 0.53 6.13 2.15 -1.26 -1.07 116.67 125.63 2uwe s ASP 37 Ca -0.06 -0.23 0.35 0.00 0.43 0.00 0.00 52.55 53.04 2uwe s ASP 37 Cb -0.08 -0.71 1.71 0.00 -0.30 0.00 0.00 42.92 43.54 2uwe s ASP 37 CO -0.01 -0.12 2.06 0.77 -0.17 0.00 0.00 175.17 177.70 2uwe h SER 38 N 8.00 0.00 0.32 -0.34 4.64 -1.69 -2.25 113.55 122.24 2uwe h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2uwe h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2uwe h SER 38 CO 0.38 0.00 -0.81 0.47 -0.87 0.00 0.00 176.83 176.01 2uwe n ASP 39 N -2.87 0.68 -4.82 4.97 9.92 -1.26 -4.96 116.55 118.21 2uwe n ASP 39 Ca -0.01 -0.47 -0.32 0.00 -0.53 0.00 0.00 54.79 53.46 2uwe n ASP 39 Cb 0.17 0.64 0.02 0.00 -0.64 0.00 0.00 41.12 41.31 2uwe n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uwe s ALA 40 N -3.06 2.78 0.17 2.24 0.00 -0.85 -4.99 121.76 118.05 2uwe s ALA 40 Ca 0.08 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2uwe s ALA 40 Cb 0.16 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 20.15 2uwe s ALA 40 CO 0.78 -0.89 1.64 0.00 0.00 0.00 0.00 175.76 177.29 2uwe h ALA 41 N 0.01 0.76 -0.57 0.00 0.00 -1.93 -3.31 119.26 114.22 2uwe h ALA 41 Ca -0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2uwe h ALA 41 Cb 1.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2uwe h ALA 41 CO 0.58 0.55 0.33 0.66 0.00 0.00 0.00 179.25 181.37 2uwe h SER 42 N 0.86 0.70 -5.60 0.00 4.64 -1.94 -3.47 113.55 108.75 2uwe h SER 42 Ca 0.17 -0.07 -0.38 0.00 -0.47 0.00 0.00 61.79 61.04 2uwe h SER 42 Cb 0.47 -0.18 0.13 0.00 -0.31 0.00 0.00 62.40 62.52 2uwe h SER 42 CO 0.02 0.57 -0.65 0.00 -0.87 0.00 0.00 176.83 175.90 2uwe n GLN 43 N -4.62 -7.54 -4.11 4.77 1.13 -1.25 -5.03 117.38 100.74 2uwe n GLN 43 Ca 0.04 0.79 -0.08 0.00 -1.94 0.00 0.00 57.00 55.81 2uwe n GLN 43 Cb 0.07 -5.72 -0.10 0.00 0.11 0.00 0.00 30.24 24.60 2uwe n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2uwe s ARG 44 N -6.20 0.69 0.18 -1.09 0.52 -1.26 -5.04 118.95 106.75 2uwe s ARG 44 Ca 0.53 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 2uwe s ARG 44 Cb -0.23 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.28 2uwe s ARG 44 CO 0.69 -0.11 1.31 1.41 0.02 0.00 0.00 175.30 178.63 2uwe s MET 45 N -3.92 4.38 -0.05 3.54 -2.45 -1.26 -4.69 119.30 114.86 2uwe s MET 45 Ca 0.10 2.04 0.06 0.00 -1.25 0.00 0.00 55.69 56.63 2uwe s MET 45 Cb 0.07 -3.21 -0.02 0.00 1.25 0.00 0.00 34.83 32.93 2uwe s MET 45 CO -0.08 -0.27 -0.22 -1.21 1.05 0.00 0.00 175.02 174.29 2uwe s GLU 46 N 0.10 2.42 0.31 4.11 2.02 0.52 -4.92 118.70 123.25 2uwe s GLU 46 Ca 0.58 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 2uwe s GLU 46 Cb -0.36 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.56 2uwe s GLU 46 CO 0.37 0.50 1.28 -1.25 0.02 0.00 0.00 175.26 176.18 2uwe s PRO 47 N -0.45 4.40 0.00 0.39 0.04 -1.26 -0.96 135.00 137.16 2uwe s PRO 47 Ca 0.05 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2uwe s PRO 47 Cb -0.12 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2uwe s PRO 47 CO 0.01 -0.14 0.25 0.54 0.04 0.00 0.00 177.00 177.71 2uwe n ARG 48 N 1.12 -0.16 -4.19 4.56 5.12 0.94 -4.87 116.66 119.19 2uwe n ARG 48 Ca 0.01 -0.28 -0.19 0.00 -1.93 0.00 0.00 57.85 55.46 2uwe n ARG 48 Cb 0.42 -0.68 -0.12 0.00 -1.16 0.00 0.00 32.46 30.92 2uwe n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2uwe s ALA 49 N -0.05 1.29 0.33 7.54 0.00 -1.20 -4.64 121.76 125.02 2uwe s ALA 49 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2uwe s ALA 49 Cb 0.00 -0.11 0.56 0.00 0.00 0.00 0.00 23.12 23.56 2uwe s ALA 49 CO 0.00 0.18 1.91 -1.35 0.00 0.00 0.00 175.76 176.50 2uwe h PRO 50 N 4.18 0.72 0.00 0.00 0.11 -1.94 -3.21 132.00 131.86 2uwe h PRO 50 Ca -0.41 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2uwe h PRO 50 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2uwe h PRO 50 CO 0.41 0.61 0.00 0.11 -0.21 0.00 0.00 178.00 178.92 2uwe h TRP 51 N 0.71 0.00 0.00 0.65 5.08 -1.97 -2.90 115.95 117.52 2uwe h TRP 51 Ca 0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.14 2uwe h TRP 51 Cb 0.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2uwe h TRP 51 CO 0.01 0.00 0.00 0.97 -1.28 0.00 0.00 178.44 178.14 2uwe h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.90 -3.29 117.51 118.53 2uwe h ILE 52 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2uwe h ILE 52 Cb 0.89 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.59 2uwe h ILE 52 CO 0.00 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 174.75 2uwe h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.63 -2.68 114.58 117.54 2uwe h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uwe h GLU 53 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2uwe h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2uwe n GLN 54 N -2.69 0.19 -2.05 2.33 10.64 -1.24 -4.83 117.38 119.73 2uwe n GLN 54 Ca 0.01 0.16 -0.37 0.00 -1.83 0.00 0.00 57.00 54.97 2uwe n GLN 54 Cb 0.22 -1.72 0.02 0.00 -0.86 0.00 0.00 30.24 27.90 2uwe n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2uwe s GLU 55 N -3.08 3.42 0.75 2.61 0.41 -1.01 -5.04 118.70 116.77 2uwe s GLU 55 Ca 0.11 1.95 -0.05 0.00 -0.41 0.00 0.00 54.97 56.58 2uwe s GLU 55 Cb 0.14 -2.28 0.16 0.00 -1.78 0.00 0.00 34.13 30.36 2uwe s GLU 55 CO 0.57 -0.88 1.03 0.41 -0.49 0.00 0.00 175.26 175.90 2uwe n GLY 56 N 0.55 0.01 0.33 -1.39 0.00 -1.26 -4.93 105.19 98.50 2uwe n GLY 56 Ca 0.09 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.28 2uwe n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2uwe h PRO 57 N 0.00 0.40 -0.49 1.61 0.11 -1.99 -2.50 132.00 129.13 2uwe h PRO 57 Ca -0.34 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 2uwe h PRO 57 Cb 1.14 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2uwe h PRO 57 CO 0.32 0.27 -0.13 0.93 -0.21 0.00 0.00 178.00 179.17 2uwe h GLU 58 N 0.41 0.93 -0.18 1.05 4.39 -1.99 -1.35 114.58 117.86 2uwe h GLU 58 Ca 0.22 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.58 2uwe h GLU 58 Cb 0.32 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2uwe h GLU 58 CO -0.05 1.00 0.07 -0.92 -1.16 0.00 0.00 179.01 177.95 2uwe h TYR 59 N 0.83 0.13 -0.41 4.33 3.20 -1.82 0.83 116.97 124.06 2uwe h TYR 59 Ca 0.13 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2uwe h TYR 59 Cb 0.67 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2uwe h TYR 59 CO 0.04 0.07 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.83 2uwe h TRP 60 N 0.16 1.06 -0.43 -3.82 4.06 -1.44 0.86 115.95 116.40 2uwe h TRP 60 Ca 0.07 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 2uwe h TRP 60 Cb 0.03 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 2uwe h TRP 60 CO -0.10 1.09 0.23 -0.44 -3.56 0.00 0.00 178.44 175.66 2uwe h ASP 61 N 0.76 0.54 0.18 -3.49 3.32 -1.22 -1.19 116.42 115.32 2uwe h ASP 61 Ca 0.08 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2uwe h ASP 61 Cb 0.88 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2uwe h ASP 61 CO 0.08 0.49 -0.09 1.23 -1.72 0.00 0.00 179.24 179.22 2uwe h GLY 62 N 0.55 -0.26 1.47 2.75 0.00 -0.55 -1.52 103.07 105.51 2uwe h GLY 62 Ca 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 2uwe h GLY 62 CO -0.02 -0.10 0.04 0.83 0.00 0.00 0.00 176.54 177.29 2uwe h GLU 63 N -0.25 0.66 0.23 4.80 4.39 -0.86 -2.11 114.58 121.44 2uwe h GLU 63 Ca -0.02 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2uwe h GLU 63 Cb 0.20 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2uwe h GLU 63 CO 0.03 0.65 -0.11 1.15 -1.16 0.00 0.00 179.01 179.57 2uwe h THR 64 N 0.63 0.81 -0.30 1.13 2.02 -1.06 -0.73 112.91 115.42 2uwe h THR 64 Ca 0.14 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 2uwe h THR 64 Cb 0.33 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2uwe h THR 64 CO 0.01 0.06 -0.04 0.08 0.37 0.00 0.00 175.52 175.99 2uwe h ARG 65 N -0.44 0.47 -0.11 6.66 0.11 -1.20 -1.74 114.38 118.13 2uwe h ARG 65 Ca -0.03 -0.11 -0.06 0.00 0.10 0.00 0.00 59.98 59.88 2uwe h ARG 65 Cb 0.33 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 2uwe h ARG 65 CO 0.05 0.53 -0.17 0.87 0.10 0.00 0.00 179.97 181.36 2uwe h LYS 66 N 0.45 0.30 -0.12 0.08 1.57 -1.35 -2.62 116.57 114.89 2uwe h LYS 66 Ca 0.09 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 2uwe h LYS 66 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2uwe h LYS 66 CO 0.01 0.76 -0.34 -0.24 -0.57 0.00 0.00 179.45 179.07 2uwe h VAL 67 N -0.12 1.28 -0.28 0.50 3.04 -1.02 -1.21 116.25 118.43 2uwe h VAL 67 Ca 0.01 -1.35 -0.09 0.00 -1.01 0.00 0.00 66.70 64.26 2uwe h VAL 67 Cb 0.73 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 2uwe h VAL 67 CO 0.04 0.41 -0.20 0.11 -1.01 0.00 0.00 177.57 176.91 2uwe h LYS 68 N 0.21 0.52 -0.30 4.17 1.57 -1.35 0.74 116.57 122.12 2uwe h LYS 68 Ca 0.03 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2uwe h LYS 68 Cb 0.71 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2uwe h LYS 68 CO 0.05 0.69 -0.48 0.00 -0.57 0.00 0.00 179.45 179.15 2uwe h ALA 69 N 1.32 0.59 -0.40 3.86 0.00 -1.05 -1.38 119.26 122.20 2uwe h ALA 69 Ca 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2uwe h ALA 69 Cb 0.61 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2uwe h ALA 69 CO 0.04 0.68 0.16 0.45 0.00 0.00 0.00 179.25 180.58 2uwe h HIS 70 N 0.64 0.29 -0.47 0.00 3.86 -0.99 -1.33 115.15 117.15 2uwe h HIS 70 Ca 0.03 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2uwe h HIS 70 Cb 1.06 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 2uwe h HIS 70 CO 0.06 0.12 0.30 1.03 0.86 0.00 0.00 177.93 180.30 2uwe h SER 71 N 0.33 0.51 -0.41 2.45 0.87 -0.65 -0.47 113.55 116.19 2uwe h SER 71 Ca 0.18 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2uwe h SER 71 Cb 0.15 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2uwe h SER 71 CO -0.17 0.37 -0.15 1.56 -0.53 0.00 0.00 176.83 177.90 2uwe h GLN 72 N 0.61 0.88 -0.28 2.24 1.08 -1.18 -1.77 115.11 116.70 2uwe h GLN 72 Ca 0.18 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2uwe h GLN 72 Cb -0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2uwe h GLN 72 CO -0.05 0.97 0.04 1.15 -0.95 0.00 0.00 178.83 179.98 2uwe h THR 73 N 0.78 1.24 0.00 -0.54 2.02 -0.92 -2.37 112.91 113.12 2uwe h THR 73 Ca 0.12 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2uwe h THR 73 Cb 0.68 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2uwe h THR 73 CO 0.05 0.26 -0.10 0.45 0.37 0.00 0.00 175.52 176.55 2uwe h HIS 74 N 0.27 0.00 -0.22 3.16 3.86 -1.07 -0.64 115.15 120.50 2uwe h HIS 74 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 2uwe h HIS 74 Cb 0.35 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2uwe h HIS 74 CO 0.02 0.10 -0.12 -0.09 0.86 0.00 0.00 177.93 178.70 2uwe h ARG 75 N 0.00 0.48 -0.30 2.45 2.43 -1.17 -2.92 114.38 115.35 2uwe h ARG 75 Ca -0.00 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 58.85 2uwe h ARG 75 Cb 0.72 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2uwe h ARG 75 CO 0.01 0.76 -0.23 0.28 -1.51 0.00 0.00 179.97 179.29 2uwe h VAL 76 N 0.18 1.26 -0.72 0.20 2.07 -1.15 -3.08 116.25 115.01 2uwe h VAL 76 Ca 0.05 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2uwe h VAL 76 Cb 0.63 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2uwe h VAL 76 CO 0.04 0.41 0.48 0.44 0.02 0.00 0.00 177.57 178.95 2uwe h ASP 77 N 0.51 0.75 -0.34 0.57 3.32 -1.09 -1.21 116.42 118.93 2uwe h ASP 77 Ca 0.08 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2uwe h ASP 77 Cb 0.67 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2uwe h ASP 77 CO 0.05 0.51 0.16 -0.07 -1.72 0.00 0.00 179.24 178.17 2uwe h LEU 78 N 0.87 0.23 -1.03 1.55 3.38 -1.42 -1.47 115.31 117.41 2uwe h LEU 78 Ca 0.29 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 2uwe h LEU 78 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2uwe h LEU 78 CO -0.08 0.17 -0.19 1.23 0.09 0.00 0.00 178.44 179.66 2uwe h GLY 79 N 0.34 0.50 0.81 0.83 0.00 -1.47 -2.22 103.07 101.86 2uwe h GLY 79 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2uwe h GLY 79 CO -0.11 0.35 -0.02 -0.84 0.00 0.00 0.00 176.54 175.92 2uwe h THR 80 N 0.42 1.27 -0.15 4.70 2.02 -0.97 -2.71 112.91 117.49 2uwe h THR 80 Ca 0.07 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.19 2uwe h THR 80 Cb 0.58 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2uwe h THR 80 CO 0.04 0.28 -0.49 -0.07 0.37 0.00 0.00 175.52 175.65 2uwe h LEU 81 N 0.10 0.42 -1.00 2.58 3.38 -1.25 -0.68 115.31 118.86 2uwe h LEU 81 Ca 0.05 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2uwe h LEU 81 Cb 0.43 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2uwe h LEU 81 CO 0.01 0.85 0.65 -0.09 0.09 0.00 0.00 178.44 179.95 2uwe h ARG 82 N 0.31 1.12 -0.18 1.13 2.43 -1.39 -1.60 114.38 116.21 2uwe h ARG 82 Ca 0.02 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2uwe h ARG 82 Cb 0.97 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2uwe h ARG 82 CO 0.08 0.74 -0.72 0.78 -1.51 0.00 0.00 179.97 179.35 2uwe h GLY 83 N 1.16 0.88 0.81 2.80 0.00 -1.13 0.94 103.07 108.54 2uwe h GLY 83 Ca 0.44 -1.20 0.04 0.00 0.00 0.00 0.00 47.33 46.60 2uwe h GLY 83 CO -0.18 1.07 0.33 -0.97 0.00 0.00 0.00 176.54 176.79 2uwe h TYR 84 N 0.55 0.62 -0.25 5.60 0.05 -0.68 -2.79 116.97 120.06 2uwe h TYR 84 Ca -0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2uwe h TYR 84 Cb 1.35 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2uwe h TYR 84 CO 0.09 0.33 0.00 0.66 -1.05 0.00 0.00 178.16 178.19 2uwe n TYR 85 N -4.79 0.32 -3.64 4.88 4.01 -0.64 -4.94 117.16 112.35 2uwe n TYR 85 Ca 0.05 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 2uwe n TYR 85 Cb 0.11 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.20 2uwe n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2uwe n ASN 86 N 1.01 -3.65 -4.91 7.72 3.02 -0.95 -5.00 115.26 112.50 2uwe n ASN 86 Ca 0.18 -0.68 -0.29 0.00 -0.03 0.00 0.00 54.58 53.76 2uwe n ASN 86 Cb 0.50 -4.59 -0.04 0.00 -0.61 0.00 0.00 39.78 35.04 2uwe n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2uwe s GLN 87 N -6.04 3.57 0.85 3.52 -0.21 0.28 -5.03 119.66 116.60 2uwe s GLN 87 Ca 0.31 -0.21 -0.13 0.00 0.02 0.00 0.00 55.36 55.35 2uwe s GLN 87 Cb -0.14 -2.82 0.12 0.00 1.00 0.00 0.00 33.01 31.17 2uwe s GLN 87 CO 0.77 0.40 1.21 -1.54 -2.12 0.00 0.00 175.29 174.00 2uwe s SER 88 N -2.92 4.10 0.00 5.90 1.04 -1.26 -4.70 113.70 115.85 2uwe s SER 88 Ca 0.40 0.57 0.27 0.00 0.48 0.00 0.00 55.95 57.67 2uwe s SER 88 Cb -0.11 -0.93 0.88 0.00 0.10 0.00 0.00 66.02 65.95 2uwe s SER 88 CO 0.28 -2.14 1.66 -0.62 0.98 0.00 0.00 173.24 173.40 2uwe n GLU 89 N -3.41 0.28 0.11 4.02 4.71 -1.26 -4.17 120.64 120.91 2uwe n GLU 89 Ca 0.10 -0.12 -0.02 0.00 -0.01 0.00 0.00 57.16 57.11 2uwe n GLU 89 Cb 0.60 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.76 2uwe n GLU 89 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2uwe h ALA 90 N 3.24 1.11 -2.29 0.62 0.00 -1.98 -3.45 119.26 116.51 2uwe h ALA 90 Ca 0.00 -0.42 -0.49 0.00 0.00 0.00 0.00 54.91 54.00 2uwe h ALA 90 Cb 0.46 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2uwe h ALA 90 CO 0.00 0.60 -0.16 0.20 0.00 0.00 0.00 179.25 179.89 2uwe s GLY 91 N -4.25 1.47 -0.16 0.00 0.00 -1.26 -4.81 107.32 98.30 2uwe s GLY 91 Ca -0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 2uwe s GLY 91 CO 0.77 -0.73 0.22 -0.45 0.00 0.00 0.00 173.10 172.91 2uwe s SER 92 N -3.84 6.37 0.13 1.64 0.15 -1.26 -4.77 113.70 112.11 2uwe s SER 92 Ca 0.41 0.42 0.06 0.00 0.70 0.00 0.00 55.95 57.54 2uwe s SER 92 Cb -0.10 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 2uwe s SER 92 CO 0.35 0.18 -0.14 -1.00 1.20 0.00 0.00 173.24 173.83 2uwe s HIS 93 N 0.18 1.42 -0.14 3.44 3.76 -1.26 -4.96 115.29 117.73 2uwe s HIS 93 Ca 0.14 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2uwe s HIS 93 Cb -0.12 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.85 2uwe s HIS 93 CO 0.02 0.16 -0.17 0.99 -0.85 0.00 0.00 174.74 174.89 2uwe s THR 94 N -2.31 1.74 -0.22 1.30 2.01 -1.26 -1.46 115.64 115.44 2uwe s THR 94 Ca 0.11 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2uwe s THR 94 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2uwe s THR 94 CO 0.03 0.49 0.10 -0.69 -0.69 0.00 0.00 174.62 173.86 2uwe s VAL 95 N 1.17 4.85 -0.02 3.82 1.01 0.59 -0.79 120.40 131.02 2uwe s VAL 95 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2uwe s VAL 95 Cb -0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2uwe s VAL 95 CO -0.07 0.38 -0.19 -1.10 0.00 0.00 0.00 175.10 174.13 2uwe s GLN 96 N 1.02 2.29 -0.01 2.72 -0.21 -0.11 -0.51 119.66 124.86 2uwe s GLN 96 Ca 0.05 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.62 2uwe s GLN 96 Cb -0.14 -2.24 -0.00 0.00 1.00 0.00 0.00 33.01 31.63 2uwe s GLN 96 CO 0.04 0.59 -0.04 0.50 -2.12 0.00 0.00 175.29 174.26 2uwe s ARG 97 N -0.84 0.32 -0.02 2.91 3.52 -0.20 -1.09 118.95 123.54 2uwe s ARG 97 Ca 0.12 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2uwe s ARG 97 Cb -0.10 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 2uwe s ARG 97 CO 0.01 0.07 -0.08 1.41 -0.81 0.00 0.00 175.30 175.90 2uwe s MET 98 N -0.01 0.79 0.08 5.12 -2.45 -0.68 -0.22 119.30 121.93 2uwe s MET 98 Ca 0.01 -0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.09 2uwe s MET 98 Cb -0.02 -0.76 -0.00 0.00 1.25 0.00 0.00 34.83 35.30 2uwe s MET 98 CO -0.00 0.12 0.19 1.52 1.05 0.00 0.00 175.02 177.89 2uwe s TYR 99 N 0.10 0.13 -3.75 4.11 -0.85 -0.98 -1.19 117.35 114.93 2uwe s TYR 99 Ca -0.01 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2uwe s TYR 99 Cb -0.07 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.22 2uwe s TYR 99 CO 0.00 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 2uwe n GLY 100 N 0.12 -1.85 3.09 5.49 0.00 -0.95 -0.93 105.19 110.16 2uwe n GLY 100 Ca -0.16 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2uwe n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwe s ASP 102 N -1.65 5.17 0.18 0.00 1.01 0.78 -1.53 116.67 120.63 2uwe s ASP 102 Ca -0.08 -0.02 0.10 0.00 0.71 0.00 0.00 52.55 53.26 2uwe s ASP 102 Cb -0.10 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 2uwe s ASP 102 CO 0.01 0.25 -0.22 0.68 0.21 0.00 0.00 175.17 176.10 2uwe s VAL 103 N -1.15 2.16 0.20 -1.27 -7.23 0.36 -0.82 120.40 112.64 2uwe s VAL 103 Ca 0.21 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2uwe s VAL 103 Cb -0.12 -2.01 0.05 0.00 0.56 0.00 0.00 36.38 34.86 2uwe s VAL 103 CO 0.13 -0.17 0.25 0.61 -0.31 0.00 0.00 175.10 175.61 2uwe n GLY 104 N 0.32 -1.42 0.26 2.32 0.00 -0.52 -1.91 105.19 104.25 2uwe n GLY 104 Ca -0.13 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.41 2uwe n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2uwe h SER 105 N -0.50 0.00 0.10 1.61 4.64 -1.91 -1.31 113.55 116.18 2uwe h SER 105 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2uwe h SER 105 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2uwe h SER 105 CO 0.06 0.00 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.10 2uwe n ASP 106 N -3.02 0.45 -1.08 4.97 5.75 -1.26 -4.92 116.55 117.44 2uwe n ASP 106 Ca 0.01 -0.99 -0.11 0.00 -0.01 0.00 0.00 54.79 53.69 2uwe n ASP 106 Cb 0.31 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 2uwe n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2uwe n TRP 107 N -0.73 -0.31 -4.12 2.11 7.02 -0.49 -5.03 117.44 115.90 2uwe n TRP 107 Ca 0.20 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.37 2uwe n TRP 107 Cb 0.21 -2.36 -0.07 0.00 -2.42 0.00 0.00 31.31 26.67 2uwe n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2uwe s ARG 108 N -3.89 2.89 0.15 -0.99 0.52 -1.26 -4.81 118.95 111.56 2uwe s ARG 108 Ca 0.00 -0.63 -0.34 0.00 -0.52 0.00 0.00 55.73 54.24 2uwe s ARG 108 Cb 0.00 -2.74 -0.16 0.00 0.52 0.00 0.00 34.95 32.57 2uwe s ARG 108 CO 0.00 0.60 1.24 0.34 0.02 0.00 0.00 175.30 177.50 2uwe n PHE 109 N 0.86 1.43 0.00 -0.53 7.35 -1.26 -1.44 117.46 123.88 2uwe n PHE 109 Ca -0.11 0.64 -0.03 0.00 -0.76 0.00 0.00 57.45 57.20 2uwe n PHE 109 Cb 0.52 -2.31 -0.01 0.00 0.35 0.00 0.00 39.48 38.03 2uwe n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2uwe n LEU 110 N 2.22 0.71 -3.91 -2.13 4.77 -0.00 -4.80 117.00 113.85 2uwe n LEU 110 Ca 0.16 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2uwe n LEU 110 Cb 0.23 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2uwe n LEU 110 CO 0.61 -0.28 -0.21 -0.13 -1.33 0.00 0.00 177.39 176.05 2uwe s ARG 111 N -2.09 0.53 0.04 3.23 0.52 -1.22 -4.99 118.95 114.96 2uwe s ARG 111 Ca -0.05 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2uwe s ARG 111 Cb 0.01 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 2uwe s ARG 111 CO 0.06 -0.13 -0.12 0.20 0.02 0.00 0.00 175.30 175.33 2uwe s GLY 112 N -1.84 0.67 0.06 -3.53 0.00 -1.26 -0.15 107.32 101.27 2uwe s GLY 112 Ca -0.09 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 43.95 2uwe s GLY 112 CO -0.02 -0.74 -0.18 -0.19 0.00 0.00 0.00 173.10 171.97 2uwe s TYR 113 N -0.88 1.60 -0.30 1.90 1.51 0.46 -4.81 117.35 116.83 2uwe s TYR 113 Ca -0.01 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2uwe s TYR 113 Cb -0.08 -0.92 0.19 0.00 -0.11 0.00 0.00 41.96 41.05 2uwe s TYR 113 CO 0.01 0.11 0.67 -1.58 -1.11 0.00 0.00 175.55 173.65 2uwe s HIS 114 N -0.98 -1.50 0.06 2.71 2.46 -1.26 -2.24 115.29 114.54 2uwe s HIS 114 Ca 0.05 1.37 -0.12 0.00 0.47 0.00 0.00 55.06 56.82 2uwe s HIS 114 Cb -0.09 0.44 0.01 0.00 -0.13 0.00 0.00 32.58 32.82 2uwe s HIS 114 CO 0.02 -0.84 0.27 1.14 -2.47 0.00 0.00 174.74 172.87 2uwe s GLN 115 N 2.87 0.83 0.06 2.88 -2.07 -0.34 -0.60 119.66 123.29 2uwe s GLN 115 Ca 0.16 -0.65 0.05 0.00 -1.82 0.00 0.00 55.36 53.10 2uwe s GLN 115 Cb -0.13 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 2uwe s GLN 115 CO -0.21 -0.27 -0.14 0.71 -1.32 0.00 0.00 175.29 174.05 2uwe s TYR 116 N -3.00 1.24 0.00 9.60 1.51 0.45 -1.69 117.35 125.46 2uwe s TYR 116 Ca -0.02 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2uwe s TYR 116 Cb 0.01 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2uwe s TYR 116 CO -0.06 0.06 -0.12 0.00 -1.11 0.00 0.00 175.55 174.31 2uwe s ALA 117 N -1.13 0.98 -0.20 3.71 0.00 -0.25 -0.59 121.76 124.29 2uwe s ALA 117 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 2uwe s ALA 117 Cb -0.09 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2uwe s ALA 117 CO 0.02 0.22 -0.15 -0.47 0.00 0.00 0.00 175.76 175.38 2uwe s TYR 118 N -0.43 2.85 -1.39 0.00 5.04 -0.62 -0.94 117.35 121.87 2uwe s TYR 118 Ca 0.03 -1.45 -0.06 0.00 -2.44 0.00 0.00 57.07 53.15 2uwe s TYR 118 Cb -0.05 -1.98 0.03 0.00 0.35 0.00 0.00 41.96 40.31 2uwe s TYR 118 CO -0.00 -0.73 0.87 -0.25 -1.34 0.00 0.00 175.55 174.09 2uwe n ASP 119 N 4.67 -3.03 0.00 4.32 8.00 0.03 -2.50 116.55 128.03 2uwe n ASP 119 Ca -0.20 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2uwe n ASP 119 Cb 0.50 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 2uwe n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwe n GLY 120 N -1.63 1.77 3.45 0.44 0.00 -1.26 -5.01 105.19 102.95 2uwe n GLY 120 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2uwe n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uwe s LYS 121 N -0.13 3.26 -0.25 1.61 2.47 -1.04 -5.03 119.74 120.63 2uwe s LYS 121 Ca 0.00 -0.62 -0.42 0.00 -1.56 0.00 0.00 55.97 53.37 2uwe s LYS 121 Cb 0.00 -2.67 -0.18 0.00 -1.46 0.00 0.00 37.83 33.52 2uwe s LYS 121 CO 0.00 0.34 1.51 -0.25 0.16 0.00 0.00 175.35 177.11 2uwe n ASP 122 N 3.18 1.43 -0.01 1.43 8.00 -1.26 -1.59 116.55 127.73 2uwe n ASP 122 Ca -0.18 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.44 2uwe n ASP 122 Cb 0.53 -1.02 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 2uwe n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwe n TYR 123 N 3.76 0.00 -3.89 1.24 9.36 0.24 -4.69 117.16 123.19 2uwe n TYR 123 Ca 0.26 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.36 2uwe n TYR 123 Cb 0.06 -0.09 -0.12 0.00 -0.63 0.00 0.00 39.34 38.56 2uwe n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2uwe s ILE 124 N -1.41 0.04 -0.03 2.97 2.07 -1.22 -2.11 121.20 121.50 2uwe s ILE 124 Ca -0.05 -0.31 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2uwe s ILE 124 Cb 0.01 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.43 2uwe s ILE 124 CO 0.07 -0.17 0.13 0.00 -1.91 0.00 0.00 174.94 173.06 2uwe s ALA 125 N -0.52 -0.31 0.02 1.50 0.00 -0.46 -0.41 121.76 121.59 2uwe s ALA 125 Ca -0.06 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2uwe s ALA 125 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2uwe s ALA 125 CO -0.00 -0.11 0.98 -1.17 0.00 0.00 0.00 175.76 175.47 2uwe s LEU 126 N -0.38 4.39 0.74 0.00 2.96 0.23 -0.06 118.68 126.56 2uwe s LEU 126 Ca -0.05 1.69 -0.11 0.00 -0.22 0.00 0.00 54.13 55.44 2uwe s LEU 126 Cb -0.03 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.12 2uwe s LEU 126 CO 0.00 -0.23 1.08 -0.54 -1.32 0.00 0.00 176.35 175.34 2uwe s LYS 127 N 0.85 2.58 0.54 1.98 1.02 -0.60 -4.62 119.74 121.50 2uwe s LYS 127 Ca 0.51 0.73 0.21 0.00 0.02 0.00 0.00 55.97 57.44 2uwe s LYS 127 Cb -0.22 -1.97 1.45 0.00 -0.52 0.00 0.00 37.83 36.58 2uwe s LYS 127 CO 0.28 -1.29 2.17 1.49 -0.92 0.00 0.00 175.35 177.08 2uwe h GLU 128 N -0.85 0.00 0.00 1.68 4.81 -1.91 0.11 114.58 118.42 2uwe h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2uwe h GLU 128 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2uwe h GLU 128 CO 0.59 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.25 2uwe h ASP 129 N 0.00 0.00 -0.80 1.04 2.03 -1.95 -3.46 116.42 113.28 2uwe h ASP 129 Ca 0.02 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.07 2uwe h ASP 129 Cb 0.09 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.51 2uwe h ASP 129 CO -0.00 0.00 -0.24 0.18 -1.03 0.00 0.00 179.24 178.15 2uwe n LEU 130 N -2.63 -1.02 0.00 0.15 4.77 0.38 -4.82 117.00 113.83 2uwe n LEU 130 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2uwe n LEU 130 Cb 0.19 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.39 2uwe n LEU 130 CO 0.20 -0.55 -0.13 0.54 -1.33 0.00 0.00 177.39 176.12 2uwe n ARG 131 N -2.56 3.73 -4.43 3.23 1.74 -1.26 -4.64 116.66 112.47 2uwe n ARG 131 Ca -0.13 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.70 2uwe n ARG 131 Cb 0.44 -0.54 -0.11 0.00 -1.02 0.00 0.00 32.46 31.24 2uwe n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2uwe s SER 132 N -0.96 3.62 -0.08 0.55 0.01 -1.26 -4.94 113.70 110.64 2uwe s SER 132 Ca 0.00 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.39 2uwe s SER 132 Cb 0.00 -0.34 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 2uwe s SER 132 CO 0.00 0.07 -0.22 0.26 0.41 0.00 0.00 173.24 173.76 2uwe s TRP 133 N -2.11 2.35 -0.43 2.43 0.52 -1.26 -1.56 118.94 118.89 2uwe s TRP 133 Ca 0.26 -0.89 -0.19 0.00 0.02 0.00 0.00 56.10 55.30 2uwe s TRP 133 Cb -0.06 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2uwe s TRP 133 CO 0.13 -0.34 0.53 0.99 0.02 0.00 0.00 176.95 178.28 2uwe s THR 134 N 0.25 4.97 -0.23 2.01 2.01 0.91 -4.95 115.64 120.61 2uwe s THR 134 Ca -0.14 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 2uwe s THR 134 Cb -0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2uwe s THR 134 CO 0.07 -0.50 -0.01 0.00 -0.69 0.00 0.00 174.62 173.48 2uwe s ALA 135 N 2.45 2.90 0.05 7.40 0.00 -1.26 -1.35 121.76 131.96 2uwe s ALA 135 Ca 0.17 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2uwe s ALA 135 Cb -0.16 -1.80 -0.13 0.00 0.00 0.00 0.00 23.12 21.03 2uwe s ALA 135 CO 0.16 -0.46 1.42 0.00 0.00 0.00 0.00 175.76 176.88 2uwe h ALA 136 N 8.15 0.23 -3.55 0.00 0.00 -1.70 -3.46 119.26 118.92 2uwe h ALA 136 Ca -0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2uwe h ALA 136 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2uwe h ALA 136 CO 0.60 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 2uwe n ASP 137 N -4.65 1.15 0.17 0.00 5.68 -1.26 -5.04 116.55 112.60 2uwe n ASP 137 Ca -0.05 -0.96 0.02 0.00 -0.50 0.00 0.00 54.79 53.30 2uwe n ASP 137 Cb 0.29 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.55 2uwe n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2uwe h MET 138 N 0.00 0.00 -0.49 0.11 2.86 -2.00 -2.75 114.93 112.65 2uwe h MET 138 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2uwe h MET 138 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2uwe h MET 138 CO 0.00 0.46 -0.11 0.00 1.06 0.00 0.00 176.91 178.32 2uwe h ALA 139 N 1.54 0.68 0.00 6.32 0.00 -1.97 -2.94 119.26 122.88 2uwe h ALA 139 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2uwe h ALA 139 Cb 0.91 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2uwe h ALA 139 CO 0.06 0.58 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 2uwe h ALA 140 N 0.89 1.00 -0.20 0.00 0.00 -1.85 -2.62 119.26 116.48 2uwe h ALA 140 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2uwe h ALA 140 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2uwe h ALA 140 CO 0.05 0.13 -0.26 1.96 0.00 0.00 0.00 179.25 181.12 2uwe h GLN 141 N 0.00 0.37 -0.51 0.00 1.08 -1.31 -0.47 115.11 114.27 2uwe h GLN 141 Ca -0.00 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 2uwe h GLN 141 Cb 0.69 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 2uwe h GLN 141 CO 0.01 0.61 -0.00 1.15 -0.95 0.00 0.00 178.83 179.65 2uwe h THR 142 N 0.33 1.26 -0.54 -0.54 2.02 -1.40 -1.62 112.91 112.43 2uwe h THR 142 Ca 0.05 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 2uwe h THR 142 Cb 0.64 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2uwe h THR 142 CO 0.05 0.39 0.12 0.74 0.37 0.00 0.00 175.52 177.18 2uwe h THR 143 N 0.77 1.25 -0.81 3.16 2.02 -1.47 -2.74 112.91 115.10 2uwe h THR 143 Ca 0.14 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.43 2uwe h THR 143 Cb 0.53 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 2uwe h THR 143 CO 0.03 0.33 0.53 0.50 0.37 0.00 0.00 175.52 177.28 2uwe h LYS 144 N 0.77 1.06 -0.15 6.66 3.64 -0.93 -2.13 116.57 125.48 2uwe h LYS 144 Ca 0.17 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2uwe h LYS 144 Cb 0.36 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2uwe h LYS 144 CO 0.00 0.70 -0.42 0.45 -2.27 0.00 0.00 179.45 177.91 2uwe h HIS 145 N 1.09 0.41 -0.49 1.91 3.86 -1.22 -1.13 115.15 119.57 2uwe h HIS 145 Ca 0.30 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2uwe h HIS 145 Cb -0.12 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 2uwe h HIS 145 CO -0.02 0.72 0.23 0.87 0.86 0.00 0.00 177.93 180.59 2uwe h LYS 146 N 0.29 0.72 -0.01 2.45 1.57 -1.21 -2.99 116.57 117.38 2uwe h LYS 146 Ca 0.02 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 2uwe h LYS 146 Cb 0.86 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2uwe h LYS 146 CO 0.07 0.61 -0.90 -1.49 -0.57 0.00 0.00 179.45 177.17 2uwe h TRP 147 N 0.65 0.54 -0.35 -1.35 6.55 -1.09 -2.82 115.95 118.08 2uwe h TRP 147 Ca 0.17 -0.28 -0.08 0.00 0.95 0.00 0.00 58.89 59.65 2uwe h TRP 147 Cb 0.13 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 2uwe h TRP 147 CO -0.00 1.09 -0.10 0.93 -1.05 0.00 0.00 178.44 179.31 2uwe h GLU 148 N 0.21 0.60 -0.13 0.49 5.08 -1.28 -0.14 114.58 119.40 2uwe h GLU 148 Ca -0.06 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2uwe h GLU 148 Cb 1.52 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2uwe h GLU 148 CO 0.15 0.69 -0.39 0.00 -1.00 0.00 0.00 179.01 178.47 2uwe h ALA 149 N 1.34 1.09 -0.09 3.43 0.00 -1.46 -2.98 119.26 120.59 2uwe h ALA 149 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2uwe h ALA 149 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2uwe h ALA 149 CO 0.03 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2uwe n ALA 150 N -2.48 2.51 -3.71 0.00 0.00 -1.07 -4.97 120.51 110.79 2uwe n ALA 150 Ca -0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.60 2uwe n ALA 150 Cb 0.47 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.96 2uwe n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2uwe n HIS 151 N 0.74 -2.00 -0.14 0.00 -0.00 -0.25 -4.92 115.22 108.65 2uwe n HIS 151 Ca 0.17 0.86 -0.10 0.00 -0.00 0.00 0.00 57.72 58.65 2uwe n HIS 151 Cb 0.46 -4.39 -0.01 0.00 -0.00 0.00 0.00 29.99 26.05 2uwe n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2uwe h VAL 152 N -1.92 1.23 -0.44 1.59 2.07 -1.39 -2.96 116.25 114.42 2uwe h VAL 152 Ca -0.60 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.21 2uwe h VAL 152 Cb 1.36 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2uwe h VAL 152 CO 0.58 0.27 0.07 0.00 0.02 0.00 0.00 177.57 178.51 2uwe h ALA 153 N 0.95 0.47 -0.96 1.67 0.00 -1.91 0.16 119.26 119.64 2uwe h ALA 153 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2uwe h ALA 153 Cb 0.31 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2uwe h ALA 153 CO 0.00 -0.33 0.62 1.49 0.00 0.00 0.00 179.25 181.03 2uwe h GLU 154 N 0.20 1.28 -0.12 0.00 4.81 -1.81 0.10 114.58 119.05 2uwe h GLU 154 Ca 0.22 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2uwe h GLU 154 Cb 0.28 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2uwe h GLU 154 CO -0.30 0.86 -0.59 1.96 -0.73 0.00 0.00 179.01 180.22 2uwe h GLN 155 N 1.31 0.38 -0.32 1.92 4.20 -1.22 -3.02 115.11 118.38 2uwe h GLN 155 Ca 0.35 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 2uwe h GLN 155 Cb -0.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2uwe h GLN 155 CO -0.07 0.86 -0.27 1.25 -0.67 0.00 0.00 178.83 179.93 2uwe h LEU 156 N 0.29 0.78 -1.13 1.46 6.46 -0.03 -2.80 115.31 120.35 2uwe h LEU 156 Ca -0.00 -0.45 0.13 0.00 -0.12 0.00 0.00 57.88 57.44 2uwe h LEU 156 Cb 1.11 -0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.74 2uwe h LEU 156 CO 0.10 1.07 0.61 -0.09 -0.62 0.00 0.00 178.44 179.51 2uwe h ARG 157 N 0.50 0.83 -0.62 1.25 2.43 -0.84 0.21 114.38 118.14 2uwe h ARG 157 Ca 0.06 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2uwe h ARG 157 Cb 0.83 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2uwe h ARG 157 CO 0.07 0.55 0.07 0.00 -1.51 0.00 0.00 179.97 179.15 2uwe h ALA 158 N 1.57 0.96 0.18 2.80 0.00 -1.37 -1.44 119.26 121.96 2uwe h ALA 158 Ca 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2uwe h ALA 158 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2uwe h ALA 158 CO -0.25 0.65 -0.09 -0.92 0.00 0.00 0.00 179.25 178.64 2uwe h TYR 159 N 0.96 -0.23 -0.10 0.00 3.20 -1.01 -2.13 116.97 117.66 2uwe h TYR 159 Ca 0.19 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2uwe h TYR 159 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2uwe h TYR 159 CO 0.03 0.18 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.43 2uwe h LEU 160 N -0.76 0.17 0.00 2.82 3.38 -0.62 0.54 115.31 120.84 2uwe h LEU 160 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2uwe h LEU 160 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2uwe h LEU 160 CO 0.04 0.42 -1.01 -0.62 0.09 0.00 0.00 178.44 177.36 2uwe n GLU 161 N -4.19 0.07 0.00 1.13 1.02 -0.55 -4.02 120.64 114.10 2uwe n GLU 161 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2uwe n GLU 161 Cb 0.33 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2uwe n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uwe n GLY 162 N 1.47 0.42 0.32 0.62 0.00 -0.80 -4.72 105.19 102.50 2uwe n GLY 162 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2uwe n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwe h ALA 163 N 0.32 1.19 0.09 4.61 0.00 -1.36 -0.94 119.26 123.17 2uwe h ALA 163 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2uwe h ALA 163 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2uwe h ALA 163 CO 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 2uwe h VAL 165 N -0.19 1.26 -0.10 0.00 2.07 -1.64 -1.52 116.25 116.13 2uwe h VAL 165 Ca -0.01 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2uwe h VAL 165 Cb 0.16 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2uwe h VAL 165 CO 0.02 0.38 0.04 -0.33 0.02 0.00 0.00 177.57 177.70 2uwe h GLU 166 N 0.96 0.15 -0.36 1.57 4.39 -1.10 -1.90 114.58 118.29 2uwe h GLU 166 Ca 0.19 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 2uwe h GLU 166 Cb 0.45 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2uwe h GLU 166 CO 0.02 0.28 -0.18 -1.49 -1.16 0.00 0.00 179.01 176.48 2uwe h TRP 167 N -0.01 0.75 -0.17 4.33 4.06 -1.31 -2.01 115.95 121.59 2uwe h TRP 167 Ca 0.03 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.86 2uwe h TRP 167 Cb 0.19 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2uwe h TRP 167 CO -0.01 0.81 0.01 1.25 -3.56 0.00 0.00 178.44 176.94 2uwe h LEU 168 N 0.60 -0.04 -1.03 -4.49 5.85 -1.15 -0.67 115.31 114.38 2uwe h LEU 168 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2uwe h LEU 168 Cb 0.64 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2uwe h LEU 168 CO 0.05 0.00 0.49 0.03 -0.34 0.00 0.00 178.44 178.67 2uwe h ARG 169 N 0.07 1.16 -0.48 1.25 3.08 -1.22 -0.10 114.38 118.14 2uwe h ARG 169 Ca 0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2uwe h ARG 169 Cb 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2uwe h ARG 169 CO -0.12 0.83 0.27 -0.09 -1.07 0.00 0.00 179.97 179.78 2uwe h ARG 170 N 1.18 0.67 -0.34 0.04 2.43 -1.06 -2.39 114.38 114.92 2uwe h ARG 170 Ca 0.30 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2uwe h ARG 170 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2uwe h ARG 170 CO -0.05 0.53 -0.02 1.88 -1.51 0.00 0.00 179.97 180.79 2uwe h TYR 171 N 0.64 0.67 -0.65 2.20 0.05 -0.75 -2.07 116.97 117.07 2uwe h TYR 171 Ca 0.17 -0.12 0.13 0.00 0.05 0.00 0.00 58.73 58.95 2uwe h TYR 171 Cb 0.05 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2uwe h TYR 171 CO -0.02 0.74 0.44 -0.07 -1.05 0.00 0.00 178.16 178.20 2uwe h LEU 172 N 0.41 0.31 0.08 3.88 3.38 -0.92 -0.38 115.31 122.09 2uwe h LEU 172 Ca 0.09 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2uwe h LEU 172 Cb 0.49 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2uwe h LEU 172 CO 0.02 0.18 -0.58 -0.08 0.09 0.00 0.00 178.44 178.07 2uwe h GLU 173 N 0.34 0.17 -0.26 1.13 4.57 -1.28 -3.04 114.58 116.22 2uwe h GLU 173 Ca 0.31 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2uwe h GLU 173 Cb 0.75 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2uwe h GLU 173 CO -0.08 1.14 0.02 -0.91 -1.18 0.00 0.00 179.01 177.99 2uwe h ASN 174 N -0.63 0.34 -1.21 1.04 2.35 -1.10 -2.69 115.58 113.70 2uwe h ASN 174 Ca -0.11 -0.05 -0.64 0.00 -0.55 0.00 0.00 56.30 54.95 2uwe h ASN 174 Cb 1.40 -0.09 -0.35 0.00 0.05 0.00 0.00 38.32 39.33 2uwe h ASN 174 CO 0.07 0.39 0.12 0.61 -1.65 0.00 0.00 177.43 176.98 2uwe n GLY 175 N -1.08 5.99 0.23 2.83 0.00 -0.17 -4.83 105.19 108.17 2uwe n GLY 175 Ca 0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 46.02 43.47 2uwe n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2uwe h LYS 176 N 2.35 0.56 -0.02 1.61 3.64 -1.35 0.32 116.57 123.69 2uwe h LYS 176 Ca 0.48 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 2uwe h LYS 176 Cb 0.90 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2uwe h LYS 176 CO 1.19 0.37 -0.21 0.93 -2.27 0.00 0.00 179.45 179.45 2uwe h GLU 177 N 0.58 0.03 0.00 1.90 3.07 -1.88 -2.23 114.58 116.05 2uwe h GLU 177 Ca 0.27 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.86 2uwe h GLU 177 Cb 0.18 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2uwe h GLU 177 CO -0.18 0.24 -1.53 2.41 -1.40 0.00 0.00 179.01 178.55 2uwe n THR 178 N -4.27 1.52 0.13 1.13 -1.04 -0.94 -4.27 114.28 106.53 2uwe n THR 178 Ca -0.02 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.92 2uwe n THR 178 Cb 0.28 -2.06 0.01 0.00 -1.82 0.00 0.00 70.33 66.74 2uwe n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2uwe h LEU 179 N -1.00 0.00 -2.46 -4.42 3.38 -0.45 -3.29 115.31 107.07 2uwe h LEU 179 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2uwe h LEU 179 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2uwe h LEU 179 CO -0.24 0.51 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2uwe n GLN 180 N -3.18 2.45 -1.96 1.13 6.02 -0.84 -4.97 117.38 116.04 2uwe n GLN 180 Ca 0.01 -2.24 -0.31 0.00 -0.01 0.00 0.00 57.00 54.44 2uwe n GLN 180 Cb 0.75 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.56 2uwe n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2uwe s ARG 181 N -1.23 3.60 -0.13 -1.09 1.70 -1.24 -4.99 118.95 115.57 2uwe s ARG 181 Ca 0.36 0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 56.42 2uwe s ARG 181 Cb 0.20 -2.08 0.05 0.00 -0.57 0.00 0.00 34.95 32.55 2uwe s ARG 181 CO 0.27 -0.57 0.04 -0.08 -1.08 0.00 0.00 175.30 173.89 2uwe s THR 182 N -3.02 0.24 -0.28 4.99 -1.32 -1.26 -4.67 115.64 110.33 2uwe s THR 182 Ca 0.56 -0.12 -0.09 0.00 -1.21 0.00 0.00 61.69 60.84 2uwe s THR 182 Cb -0.11 -0.65 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 2uwe s THR 182 CO 0.49 -0.03 0.13 -1.81 -2.21 0.00 0.00 174.62 171.19 2uwe s ASP 183 N 2.00 5.52 0.37 8.08 1.01 0.43 -4.81 116.67 129.28 2uwe s ASP 183 Ca 0.02 -0.24 -0.26 0.00 0.71 0.00 0.00 52.55 52.78 2uwe s ASP 183 Cb -0.15 -2.01 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 2uwe s ASP 183 CO -0.07 -0.09 1.17 0.00 0.21 0.00 0.00 175.17 176.40 2uwe s ALA 184 N 1.66 3.25 0.17 5.23 0.00 -1.26 -1.65 121.76 129.16 2uwe s ALA 184 Ca 0.06 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2uwe s ALA 184 Cb -0.16 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2uwe s ALA 184 CO 0.07 -0.47 1.33 -1.25 0.00 0.00 0.00 175.76 175.43 2uwe s PRO 185 N -2.09 4.37 -0.22 0.00 0.04 -1.26 -4.49 135.00 131.36 2uwe s PRO 185 Ca 0.54 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 2uwe s PRO 185 Cb -0.32 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2uwe s PRO 185 CO 0.41 -0.31 0.93 0.15 0.04 0.00 0.00 177.00 178.22 2uwe s LYS 186 N 0.27 4.25 0.04 4.56 1.02 0.26 -4.84 119.74 125.30 2uwe s LYS 186 Ca 0.59 1.16 0.07 0.00 0.02 0.00 0.00 55.97 57.82 2uwe s LYS 186 Cb -0.36 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 2uwe s LYS 186 CO 0.36 -0.52 -0.20 0.95 -0.92 0.00 0.00 175.35 175.02 2uwe s THR 187 N 2.83 2.65 0.20 2.17 -4.23 -1.26 -0.93 115.64 117.06 2uwe s THR 187 Ca 0.40 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.53 2uwe s THR 187 Cb -0.16 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.61 2uwe s THR 187 CO 0.08 0.35 0.52 -1.38 -0.54 0.00 0.00 174.62 173.66 2uwe s HIS 188 N -0.89 -0.06 0.03 3.99 -3.43 -1.19 -5.01 115.29 108.73 2uwe s HIS 188 Ca 0.14 -0.29 0.09 0.00 -0.80 0.00 0.00 55.06 54.19 2uwe s HIS 188 Cb -0.10 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 2uwe s HIS 188 CO 0.04 -0.94 -0.26 1.41 -2.00 0.00 0.00 174.74 173.00 2uwe s MET 189 N -3.89 1.84 0.26 -0.38 1.75 -1.26 -0.95 119.30 116.67 2uwe s MET 189 Ca 0.11 -1.05 0.12 0.00 -1.25 0.00 0.00 55.69 53.61 2uwe s MET 189 Cb -0.01 -1.95 -0.05 0.00 2.84 0.00 0.00 34.83 35.66 2uwe s MET 189 CO -0.01 0.51 -0.19 0.95 -0.65 0.00 0.00 175.02 175.63 2uwe s THR 190 N -0.75 2.53 -0.05 10.11 -4.23 -0.33 -4.98 115.64 117.95 2uwe s THR 190 Ca 0.11 -2.30 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2uwe s THR 190 Cb -0.10 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.45 2uwe s THR 190 CO 0.01 -0.35 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.40 2uwe s HIS 191 N -2.34 0.93 -0.03 3.99 2.46 -1.26 -1.59 115.29 117.45 2uwe s HIS 191 Ca 0.28 -0.29 0.01 0.00 0.47 0.00 0.00 55.06 55.53 2uwe s HIS 191 Cb -0.06 -0.76 0.03 0.00 -0.13 0.00 0.00 32.58 31.66 2uwe s HIS 191 CO 0.14 -0.21 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.19 2uwe s HIS 192 N 0.82 0.40 -0.32 3.88 3.76 -0.15 -4.99 115.29 118.69 2uwe s HIS 192 Ca -0.13 -0.04 -0.27 0.00 -0.15 0.00 0.00 55.06 54.47 2uwe s HIS 192 Cb -0.15 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.10 2uwe s HIS 192 CO 0.01 -0.14 0.97 0.00 -0.85 0.00 0.00 174.74 174.73 2uwe s ALA 193 N 0.96 3.49 -0.06 -1.40 0.00 -1.26 0.10 121.76 123.59 2uwe s ALA 193 Ca -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2uwe s ALA 193 Cb -0.14 -3.55 -0.25 0.00 0.00 0.00 0.00 23.12 19.19 2uwe s ALA 193 CO -0.01 -1.43 0.59 -0.39 0.00 0.00 0.00 175.76 174.52 2uwe h VAL 194 N 5.71 0.82 -2.91 0.00 -1.51 -1.84 -3.48 116.25 113.04 2uwe h VAL 194 Ca -0.22 -2.59 -0.13 0.00 -1.23 0.00 0.00 66.70 62.52 2uwe h VAL 194 Cb 1.07 2.51 -0.03 0.00 -2.13 0.00 0.00 31.29 32.71 2uwe h VAL 194 CO 0.98 0.70 -0.09 -1.54 -1.23 0.00 0.00 177.57 176.39 2uwe n SER 195 N -3.27 -0.53 0.00 4.19 3.41 -1.12 -5.00 113.62 111.30 2uwe n SER 195 Ca -0.22 -1.82 0.11 0.00 -0.26 0.00 0.00 58.87 56.68 2uwe n SER 195 Cb 1.05 1.01 0.52 0.00 -0.26 0.00 0.00 64.21 66.53 2uwe n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2uwe n ASP 196 N -2.02 0.00 0.00 4.04 5.75 -1.26 -3.46 116.55 119.60 2uwe n ASP 196 Ca 0.01 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2uwe n ASP 196 Cb 0.25 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2uwe n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2uwe n HIS 197 N -1.40 0.00 -4.23 2.11 1.44 -1.26 -4.89 115.22 106.98 2uwe n HIS 197 Ca 0.08 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.58 2uwe n HIS 197 Cb 0.23 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.22 2uwe n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2uwe s GLU 198 N -0.34 0.98 -0.00 -1.40 2.02 -1.23 -0.87 118.70 117.87 2uwe s GLU 198 Ca 0.00 -1.09 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 2uwe s GLU 198 Cb 0.00 -1.08 -0.00 0.00 0.10 0.00 0.00 34.13 33.15 2uwe s GLU 198 CO 0.00 0.24 0.11 0.00 0.02 0.00 0.00 175.26 175.63 2uwe s ALA 199 N -1.36 -0.25 -0.24 5.21 0.00 0.12 -2.53 121.76 122.71 2uwe s ALA 199 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 2uwe s ALA 199 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2uwe s ALA 199 CO 0.03 -0.18 0.12 0.99 0.00 0.00 0.00 175.76 176.73 2uwe s THR 200 N -1.19 4.89 -0.23 0.00 2.01 0.29 0.40 115.64 121.82 2uwe s THR 200 Ca -0.13 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 2uwe s THR 200 Cb -0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2uwe s THR 200 CO 0.01 0.34 0.10 -0.76 -0.69 0.00 0.00 174.62 173.62 2uwe s LEU 201 N 1.32 3.81 -0.16 4.42 1.43 -0.51 -0.97 118.68 128.03 2uwe s LEU 201 Ca 0.06 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2uwe s LEU 201 Cb -0.15 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2uwe s LEU 201 CO 0.05 0.07 -0.13 -0.60 0.23 0.00 0.00 176.35 175.97 2uwe s ARG 202 N 1.03 3.30 -0.30 1.70 3.52 -0.62 -1.39 118.95 126.20 2uwe s ARG 202 Ca 0.05 -0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 2uwe s ARG 202 Cb -0.14 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 2uwe s ARG 202 CO 0.04 0.05 0.16 0.00 -0.81 0.00 0.00 175.30 174.74 2uwe s TRP 204 N 1.66 3.45 -0.17 0.00 0.52 -0.13 -1.41 118.94 122.87 2uwe s TRP 204 Ca 0.06 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.59 2uwe s TRP 204 Cb -0.16 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2uwe s TRP 204 CO 0.07 0.65 -0.06 0.00 0.02 0.00 0.00 176.95 177.64 2uwe s ALA 205 N -0.99 1.55 0.16 0.98 0.00 0.15 -3.14 121.76 120.47 2uwe s ALA 205 Ca 0.15 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.31 2uwe s ALA 205 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2uwe s ALA 205 CO 0.04 -0.81 -0.20 -0.51 0.00 0.00 0.00 175.76 174.28 2uwe s LEU 206 N 1.60 2.41 -1.45 0.00 1.43 -0.11 -1.61 118.68 120.95 2uwe s LEU 206 Ca 0.00 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 2uwe s LEU 206 Cb -0.15 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.16 2uwe s LEU 206 CO -0.08 0.02 0.91 -0.24 0.23 0.00 0.00 176.35 177.20 2uwe n SER 207 N 0.46 -5.96 -4.77 2.29 2.88 -1.01 -0.57 113.62 106.93 2uwe n SER 207 Ca -0.14 -0.47 -0.31 0.00 -1.33 0.00 0.00 58.87 56.61 2uwe n SER 207 Cb 0.56 -4.75 -0.07 0.00 -0.75 0.00 0.00 64.21 59.20 2uwe n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2uwe s PHE 208 N -3.24 3.20 -0.07 0.66 -0.12 -1.13 -4.61 117.98 112.67 2uwe s PHE 208 Ca 0.49 0.11 -0.05 0.00 -0.05 0.00 0.00 56.93 57.43 2uwe s PHE 208 Cb -0.22 -1.66 0.03 0.00 -0.63 0.00 0.00 43.02 40.54 2uwe s PHE 208 CO 0.60 0.52 0.17 -0.47 -0.05 0.00 0.00 175.22 175.99 2uwe s TYR 209 N -1.30 -0.20 0.79 3.49 6.14 -0.66 -0.79 117.35 124.82 2uwe s TYR 209 Ca 0.26 0.50 -0.13 0.00 0.64 0.00 0.00 57.07 58.34 2uwe s TYR 209 Cb -0.12 0.02 0.18 0.00 0.42 0.00 0.00 41.96 42.47 2uwe s TYR 209 CO 0.18 -0.13 1.03 -2.30 0.64 0.00 0.00 175.55 174.97 2uwe n PRO 210 N 3.46 -1.20 0.29 4.97 -0.02 -1.26 -0.42 135.00 140.81 2uwe n PRO 210 Ca -0.18 -1.59 0.17 0.00 -2.02 0.00 0.00 63.50 59.88 2uwe n PRO 210 Cb 0.56 -1.10 0.84 0.00 -0.02 0.00 0.00 33.50 33.78 2uwe n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uwe h ALA 211 N -1.92 1.12 -2.35 3.55 0.00 -1.96 -3.44 119.26 114.26 2uwe h ALA 211 Ca -0.34 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 2uwe h ALA 211 Cb 0.94 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2uwe h ALA 211 CO 0.24 0.07 1.07 -2.00 0.00 0.00 0.00 179.25 178.63 2uwe s GLU 212 N -4.01 4.18 -0.09 0.00 2.56 -1.26 -4.98 118.70 115.10 2uwe s GLU 212 Ca -0.02 2.30 -0.24 0.00 0.00 0.00 0.00 54.97 57.01 2uwe s GLU 212 Cb 0.12 -3.86 0.06 0.00 2.00 0.00 0.00 34.13 32.45 2uwe s GLU 212 CO 0.53 -0.81 0.57 -1.50 -0.56 0.00 0.00 175.26 173.48 2uwe s ILE 213 N 3.53 0.01 -0.24 -3.70 2.07 -1.26 -4.66 121.20 116.95 2uwe s ILE 213 Ca 0.76 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.91 2uwe s ILE 213 Cb -0.37 -0.86 0.05 0.00 0.13 0.00 0.00 42.46 41.41 2uwe s ILE 213 CO 0.32 -0.06 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.28 2uwe s THR 214 N -0.78 2.10 -0.28 4.00 2.01 -0.73 -5.00 115.64 116.97 2uwe s THR 214 Ca -0.08 -1.48 -0.06 0.00 0.31 0.00 0.00 61.69 60.38 2uwe s THR 214 Cb -0.02 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2uwe s THR 214 CO 0.06 0.08 0.06 -0.76 -0.69 0.00 0.00 174.62 173.37 2uwe s LEU 215 N 1.16 3.71 0.05 4.42 1.43 -1.26 -1.30 118.68 126.89 2uwe s LEU 215 Ca -0.06 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2uwe s LEU 215 Cb -0.19 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2uwe s LEU 215 CO -0.07 -0.16 -0.19 0.42 0.23 0.00 0.00 176.35 176.58 2uwe s THR 216 N 1.50 1.57 -0.09 5.49 -4.23 -0.92 -4.97 115.64 114.00 2uwe s THR 216 Ca 0.03 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2uwe s THR 216 Cb -0.17 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 2uwe s THR 216 CO 0.02 0.12 0.06 0.26 -0.54 0.00 0.00 174.62 174.53 2uwe s TRP 217 N -0.88 3.32 0.04 3.99 0.52 -1.26 -0.45 118.94 124.22 2uwe s TRP 217 Ca 0.06 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.56 2uwe s TRP 217 Cb -0.09 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 2uwe s TRP 217 CO 0.02 0.57 -0.22 -0.65 0.02 0.00 0.00 176.95 176.69 2uwe s GLN 218 N -1.03 1.49 -0.25 4.98 -0.21 0.42 -0.10 119.66 124.96 2uwe s GLN 218 Ca 0.15 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.54 2uwe s GLN 218 Cb -0.12 -1.62 0.04 0.00 1.00 0.00 0.00 33.01 32.31 2uwe s GLN 218 CO 0.04 0.42 -0.08 0.50 -2.12 0.00 0.00 175.29 174.04 2uwe s ARG 219 N -1.20 2.55 -1.23 2.91 3.52 0.59 -1.30 118.95 124.79 2uwe s ARG 219 Ca 0.09 -1.15 -0.02 0.00 -0.13 0.00 0.00 55.73 54.52 2uwe s ARG 219 Cb -0.09 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 2uwe s ARG 219 CO 0.02 -0.48 0.84 -0.25 -0.81 0.00 0.00 175.30 174.62 2uwe n ASP 220 N 4.57 -2.22 -1.57 -2.12 8.00 -0.76 -2.49 116.55 119.96 2uwe n ASP 220 Ca -0.15 -0.74 -0.18 0.00 0.71 0.00 0.00 54.79 54.42 2uwe n ASP 220 Cb 0.45 -4.56 -0.06 0.00 -0.02 0.00 0.00 41.12 36.93 2uwe n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwe n GLY 221 N -1.37 1.27 2.96 0.44 0.00 -1.26 -4.98 105.19 102.24 2uwe n GLY 221 Ca -0.27 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2uwe n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uwe s GLU 222 N -3.88 1.48 0.14 1.61 2.12 -1.04 -5.07 118.70 114.06 2uwe s GLU 222 Ca 0.00 -0.30 -0.34 0.00 0.36 0.00 0.00 54.97 54.69 2uwe s GLU 222 Cb 0.00 -1.37 -0.16 0.00 0.26 0.00 0.00 34.13 32.85 2uwe s GLU 222 CO 0.00 -0.10 1.16 -0.25 -0.54 0.00 0.00 175.26 175.53 2uwe n ASP 223 N 4.27 1.12 -3.77 -1.70 8.00 -1.26 -0.30 116.55 122.92 2uwe n ASP 223 Ca -0.19 1.14 -0.29 0.00 0.71 0.00 0.00 54.79 56.16 2uwe n ASP 223 Cb 0.51 -1.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 2uwe n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2uwe s GLN 224 N -0.18 0.82 -0.03 -1.24 2.00 0.85 -4.76 119.66 117.13 2uwe s GLN 224 Ca 0.77 -0.65 0.06 0.00 -2.00 0.00 0.00 55.36 53.55 2uwe s GLN 224 Cb -0.92 -2.16 -0.10 0.00 0.80 0.00 0.00 33.01 30.63 2uwe s GLN 224 CO 0.52 -0.71 0.11 2.41 -0.50 0.00 0.00 175.29 177.12 2uwe n THR 225 N 4.95 0.15 0.18 -0.34 -1.04 -1.26 -4.23 114.28 112.68 2uwe n THR 225 Ca -0.08 -0.19 0.15 0.00 -2.04 0.00 0.00 64.05 61.88 2uwe n THR 225 Cb 0.46 -0.05 0.49 0.00 -1.82 0.00 0.00 70.33 69.41 2uwe n THR 225 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2uwe h GLN 226 N 0.00 0.00 0.00 -2.82 1.08 -1.98 -0.13 115.11 111.26 2uwe h GLN 226 Ca -0.06 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2uwe h GLN 226 Cb 0.68 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.01 2uwe h GLN 226 CO 0.00 0.00 -0.62 -3.47 -0.95 0.00 0.00 178.83 173.80 2uwe n ASP 227 N -3.01 0.23 -4.73 1.46 -0.08 -1.26 -5.10 116.55 104.05 2uwe n ASP 227 Ca 0.05 -1.98 -0.38 0.00 -1.51 0.00 0.00 54.79 50.98 2uwe n ASP 227 Cb 0.84 -0.22 -0.06 0.00 2.34 0.00 0.00 41.12 44.02 2uwe n ASP 227 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2uwe s THR 228 N 0.00 5.21 -0.22 5.18 2.01 -0.06 -3.71 115.64 124.05 2uwe s THR 228 Ca 0.08 0.86 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 2uwe s THR 228 Cb 0.09 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2uwe s THR 228 CO -0.04 0.35 0.06 -0.70 -0.69 0.00 0.00 174.62 173.60 2uwe s GLU 229 N 0.50 3.77 -0.19 4.92 2.12 0.57 -4.97 118.70 125.42 2uwe s GLU 229 Ca 0.24 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.13 2uwe s GLU 229 Cb -0.15 -3.25 0.05 0.00 0.26 0.00 0.00 34.13 31.04 2uwe s GLU 229 CO 0.09 0.02 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.59 2uwe s LEU 230 N 1.04 1.97 0.39 2.70 2.96 -1.26 -1.14 118.68 125.34 2uwe s LEU 230 Ca 0.04 -0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 52.92 2uwe s LEU 230 Cb -0.14 -1.05 -0.10 0.00 0.50 0.00 0.00 46.19 45.39 2uwe s LEU 230 CO 0.03 -0.18 0.91 0.68 -1.32 0.00 0.00 176.35 176.46 2uwe s VAL 231 N 1.52 4.41 0.34 1.68 -7.23 -1.17 -5.03 120.40 114.93 2uwe s VAL 231 Ca -0.01 1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 61.32 2uwe s VAL 231 Cb -0.16 -3.67 -0.11 0.00 0.56 0.00 0.00 36.38 32.99 2uwe s VAL 231 CO -0.08 -0.21 1.54 1.21 -0.31 0.00 0.00 175.10 177.25 2uwe n GLU 232 N -0.36 2.71 -1.68 4.82 2.13 -1.26 -4.62 120.64 122.38 2uwe n GLU 232 Ca 0.05 0.96 -0.46 0.00 0.66 0.00 0.00 57.16 58.37 2uwe n GLU 232 Cb 0.53 -2.71 -0.04 0.00 0.27 0.00 0.00 31.44 29.49 2uwe n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2uwe n THR 233 N 1.14 0.36 -4.40 6.31 -1.04 -1.26 -4.86 114.28 110.52 2uwe n THR 233 Ca 0.04 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 2uwe n THR 233 Cb 0.38 -1.85 -0.11 0.00 -1.82 0.00 0.00 70.33 66.93 2uwe n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uwe s ARG 234 N 2.78 1.95 0.12 -2.82 1.70 0.02 -4.94 118.95 117.75 2uwe s ARG 234 Ca 0.86 -1.08 -0.28 0.00 -0.47 0.00 0.00 55.73 54.75 2uwe s ARG 234 Cb -0.63 -2.18 -0.06 0.00 -0.57 0.00 0.00 34.95 31.51 2uwe s ARG 234 CO 0.43 0.51 0.90 -1.25 -1.08 0.00 0.00 175.30 174.81 2uwe s PRO 235 N -1.91 4.66 0.32 3.89 0.04 -1.26 -0.20 135.00 140.53 2uwe s PRO 235 Ca 0.17 1.34 0.13 0.00 0.04 0.00 0.00 61.00 62.69 2uwe s PRO 235 Cb -0.11 -3.35 0.51 0.00 0.04 0.00 0.00 34.50 31.59 2uwe s PRO 235 CO 0.09 0.30 1.68 0.00 0.04 0.00 0.00 177.00 179.11 2uwe h ALA 236 N 5.29 1.03 0.00 8.56 0.00 -1.11 -3.47 119.26 129.56 2uwe h ALA 236 Ca -0.44 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2uwe h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2uwe h ALA 236 CO 0.71 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.00 2uwe n GLY 237 N 0.15 0.87 0.81 0.00 0.00 -1.26 -4.94 105.19 100.82 2uwe n GLY 237 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2uwe n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2uwe n ASP 238 N 0.00 3.13 0.00 1.61 5.75 -1.26 -4.94 116.55 120.85 2uwe n ASP 238 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2uwe n ASP 238 Cb 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 2uwe n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uwe n GLY 239 N 0.81 0.35 3.75 6.12 0.00 -1.26 -5.09 105.19 109.87 2uwe n GLY 239 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2uwe n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uwe s THR 240 N -2.00 3.44 0.35 2.61 -4.23 -1.26 -4.85 115.64 109.70 2uwe s THR 240 Ca 0.00 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2uwe s THR 240 Cb 0.00 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2uwe s THR 240 CO 0.00 -0.25 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.38 2uwe s PHE 241 N -2.33 2.41 0.03 3.99 0.40 0.03 -0.51 117.98 122.00 2uwe s PHE 241 Ca 0.36 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 2uwe s PHE 241 Cb -0.05 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2uwe s PHE 241 CO 0.23 0.58 -0.05 -0.65 0.70 0.00 0.00 175.22 176.02 2uwe s GLN 242 N -3.62 0.42 -0.13 0.44 -0.21 0.72 -2.42 119.66 114.86 2uwe s GLN 242 Ca 0.33 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 2uwe s GLN 242 Cb 0.03 -0.09 0.08 0.00 1.00 0.00 0.00 33.01 34.02 2uwe s GLN 242 CO 0.17 0.00 0.75 0.21 -2.12 0.00 0.00 175.29 174.30 2uwe s LYS 243 N -1.51 0.92 0.04 2.91 2.20 -0.63 -0.80 119.74 122.86 2uwe s LYS 243 Ca -0.13 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2uwe s LYS 243 Cb -0.10 0.44 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 2uwe s LYS 243 CO -0.00 -0.24 -0.04 1.67 -0.36 0.00 0.00 175.35 176.37 2uwe s TRP 244 N -0.74 0.45 -0.02 4.03 1.48 -1.26 -0.67 118.94 122.21 2uwe s TRP 244 Ca -0.07 -0.68 0.04 0.00 -1.06 0.00 0.00 56.10 54.34 2uwe s TRP 244 Cb -0.01 -0.30 -0.01 0.00 -1.16 0.00 0.00 33.47 31.98 2uwe s TRP 244 CO 0.06 -0.21 -0.15 0.00 -4.06 0.00 0.00 176.95 172.59 2uwe s ALA 245 N -2.20 1.28 0.02 2.67 0.00 -0.50 -3.06 121.76 119.97 2uwe s ALA 245 Ca -0.07 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2uwe s ALA 245 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2uwe s ALA 245 CO -0.03 0.29 -0.12 0.00 0.00 0.00 0.00 175.76 175.90 2uwe s ALA 246 N -0.24 0.99 0.03 0.00 0.00 -0.30 0.65 121.76 122.89 2uwe s ALA 246 Ca 0.03 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2uwe s ALA 246 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2uwe s ALA 246 CO -0.00 0.19 -0.21 0.14 0.00 0.00 0.00 175.76 175.88 2uwe s VAL 247 N -0.70 1.66 -0.41 0.00 -7.23 -0.48 -0.32 120.40 112.92 2uwe s VAL 247 Ca 0.01 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.86 2uwe s VAL 247 Cb -0.07 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.46 2uwe s VAL 247 CO 0.01 0.26 0.56 -0.69 -0.31 0.00 0.00 175.10 174.93 2uwe s VAL 248 N -0.73 4.94 0.18 1.32 1.01 -1.24 -1.42 120.40 124.44 2uwe s VAL 248 Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2uwe s VAL 248 Cb -0.09 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2uwe s VAL 248 CO 0.01 -0.45 0.05 0.68 0.00 0.00 0.00 175.10 175.38 2uwe s VAL 249 N 2.55 3.97 0.36 2.92 -7.23 0.16 -4.90 120.40 118.24 2uwe s VAL 249 Ca 0.19 -1.33 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 2uwe s VAL 249 Cb -0.15 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 2uwe s VAL 249 CO 0.16 -0.12 1.27 -2.84 -0.31 0.00 0.00 175.10 173.25 2uwe s PRO 250 N -3.03 4.21 0.21 4.82 0.02 -1.26 0.12 135.00 140.08 2uwe s PRO 250 Ca 0.29 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 2uwe s PRO 250 Cb -0.09 -2.92 -0.10 0.00 0.02 0.00 0.00 34.50 31.41 2uwe s PRO 250 CO 0.20 -0.27 1.47 -1.54 -0.33 0.00 0.00 177.00 176.53 2uwe s SER 251 N -0.71 6.65 0.00 2.53 1.04 -0.05 -1.91 113.70 121.25 2uwe s SER 251 Ca 0.52 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.58 2uwe s SER 251 Cb -0.37 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.14 2uwe s SER 251 CO 0.48 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2uwe n GLY 252 N 2.77 0.79 0.41 7.32 0.00 -1.26 -4.91 105.19 110.32 2uwe n GLY 252 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2uwe n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2uwe n GLN 253 N -2.00 2.73 -0.25 1.61 6.02 -0.80 -4.76 117.38 119.92 2uwe n GLN 253 Ca 0.00 -2.08 0.06 0.00 -0.01 0.00 0.00 57.00 54.96 2uwe n GLN 253 Cb 0.00 -1.31 0.19 0.00 1.02 0.00 0.00 30.24 30.14 2uwe n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2uwe h GLU 254 N 1.11 0.36 0.00 -1.09 3.07 -1.91 -2.25 114.58 113.87 2uwe h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2uwe h GLU 254 Cb 0.81 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2uwe h GLU 254 CO 0.04 0.24 0.00 1.04 -1.40 0.00 0.00 179.01 178.93 2uwe n GLN 255 N -5.06 0.11 0.00 2.33 6.02 -1.26 -2.31 117.38 117.20 2uwe n GLN 255 Ca 0.14 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.40 2uwe n GLN 255 Cb 0.44 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.79 2uwe n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2uwe n ARG 256 N -1.42 0.04 -4.48 -1.09 1.74 -0.85 -4.83 116.66 105.78 2uwe n ARG 256 Ca 0.07 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 2uwe n ARG 256 Cb 0.21 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 2uwe n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2uwe s TYR 257 N -2.95 3.07 -0.02 -1.55 1.51 -0.98 -1.82 117.35 114.61 2uwe s TYR 257 Ca 0.15 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 2uwe s TYR 257 Cb 0.18 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2uwe s TYR 257 CO 0.49 0.40 -0.13 0.95 -1.11 0.00 0.00 175.55 176.16 2uwe s THR 258 N -0.83 1.01 -0.15 -0.71 -4.23 -0.42 -4.44 115.64 105.88 2uwe s THR 258 Ca 0.13 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 2uwe s THR 258 Cb -0.11 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2uwe s THR 258 CO 0.02 0.29 0.11 0.00 -0.54 0.00 0.00 174.62 174.50 2uwe s HIS 260 N -0.39 2.91 -0.27 0.00 3.76 0.40 -0.46 115.29 121.24 2uwe s HIS 260 Ca 0.11 -1.71 -0.09 0.00 -0.15 0.00 0.00 55.06 53.22 2uwe s HIS 260 Cb -0.12 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 2uwe s HIS 260 CO 0.01 -0.79 0.11 0.08 -0.85 0.00 0.00 174.74 173.30 2uwe s VAL 261 N 1.27 4.56 -0.19 -0.90 1.01 -0.34 -2.16 120.40 123.67 2uwe s VAL 261 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2uwe s VAL 261 Cb -0.15 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2uwe s VAL 261 CO -0.10 0.24 -0.10 -1.10 0.00 0.00 0.00 175.10 174.04 2uwe s GLN 262 N 1.64 3.29 0.02 2.72 -0.21 -0.42 -2.23 119.66 124.47 2uwe s GLN 262 Ca 0.06 -0.69 -0.17 0.00 0.02 0.00 0.00 55.36 54.58 2uwe s GLN 262 Cb -0.16 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.08 2uwe s GLN 262 CO 0.06 -0.09 0.38 -1.58 -2.12 0.00 0.00 175.29 171.94 2uwe s HIS 263 N 1.13 -0.24 0.13 0.91 2.46 -1.26 -1.77 115.29 116.65 2uwe s HIS 263 Ca 0.01 0.26 -0.18 0.00 0.47 0.00 0.00 55.06 55.63 2uwe s HIS 263 Cb -0.14 0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.45 2uwe s HIS 263 CO -0.03 -0.50 1.76 0.93 -2.47 0.00 0.00 174.74 174.43 2uwe h GLU 264 N 3.34 0.44 0.00 2.88 5.08 -1.93 -2.79 114.58 121.60 2uwe h GLU 264 Ca -0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2uwe h GLU 264 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2uwe h GLU 264 CO 0.42 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 179.19 2uwe n GLY 265 N -1.05 -0.71 3.34 -3.84 0.00 -1.26 -4.63 105.19 97.03 2uwe n GLY 265 Ca -0.01 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2uwe n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uwe s LEU 266 N -1.13 3.72 0.26 0.99 2.96 -1.06 -4.28 118.68 120.13 2uwe s LEU 266 Ca 0.04 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2uwe s LEU 266 Cb 0.02 -1.86 0.40 0.00 0.50 0.00 0.00 46.19 45.25 2uwe s LEU 266 CO 0.03 -0.17 1.86 -0.65 -1.32 0.00 0.00 176.35 176.11 2uwe h PRO 267 N 8.21 1.01 -4.13 0.98 0.11 -1.86 -3.43 132.00 132.89 2uwe h PRO 267 Ca -0.33 -0.06 -0.26 0.00 0.11 0.00 0.00 66.00 65.46 2uwe h PRO 267 Cb 1.13 -0.23 -0.26 0.00 0.11 0.00 0.00 31.00 31.76 2uwe h PRO 267 CO 0.60 0.67 -0.73 0.15 -0.21 0.00 0.00 178.00 178.48 2uwe s LYS 268 N -6.04 0.30 0.29 1.05 1.02 -1.26 -5.13 119.74 109.97 2uwe s LYS 268 Ca -0.12 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 2uwe s LYS 268 Cb 0.20 -0.18 -0.12 0.00 -0.52 0.00 0.00 37.83 37.21 2uwe s LYS 268 CO 0.80 0.04 1.54 -2.30 -0.92 0.00 0.00 175.35 174.51 2uwe n PRO 269 N 2.46 2.54 -3.38 -1.68 -0.02 -1.26 -4.98 135.00 128.69 2uwe n PRO 269 Ca -0.17 0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 2uwe n PRO 269 Cb 0.57 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2uwe n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2uwe s LEU 270 N -0.41 4.44 -0.16 2.45 1.43 -0.95 -4.93 118.68 120.55 2uwe s LEU 270 Ca 0.64 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2uwe s LEU 270 Cb -0.53 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2uwe s LEU 270 CO 0.50 0.22 -0.07 -0.89 0.23 0.00 0.00 176.35 176.34 2uwe s THR 271 N -0.63 3.49 -0.07 5.49 2.01 -1.26 -1.19 115.64 123.48 2uwe s THR 271 Ca 0.26 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2uwe s THR 271 Cb -0.17 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 2uwe s THR 271 CO 0.14 0.48 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.55 2uwe s LEU 272 N 0.65 2.09 0.00 4.42 1.43 0.39 -4.96 118.68 122.70 2uwe s LEU 272 Ca -0.04 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2uwe s LEU 272 Cb -0.15 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2uwe s LEU 272 CO 0.02 0.22 -0.14 -0.60 0.23 0.00 0.00 176.35 176.08 2uwe s ARG 273 N 0.01 1.09 0.07 1.70 3.52 -1.26 -0.71 118.95 123.38 2uwe s ARG 273 Ca -0.09 -0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 2uwe s ARG 273 Cb -0.15 -1.07 -0.07 0.00 -1.56 0.00 0.00 34.95 32.09 2uwe s ARG 273 CO 0.06 0.29 1.48 -0.46 -0.81 0.00 0.00 175.30 175.85 2uwe s TRP 274 N -0.44 2.87 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.06 2uwe s TRP 274 Ca 0.05 0.71 0.00 0.00 1.22 0.00 0.00 56.10 58.07 2uwe s TRP 274 Cb -0.06 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 28.14 2uwe s TRP 274 CO -0.00 -2.90 0.26 -0.85 -4.62 0.00 0.00 176.95 168.84