#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juh s ILE 6 N 0.00 3.89 0.12 1.96 -1.09 -1.26 -1.37 121.20 123.45 1juh s ILE 6 Ca 0.00 1.50 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 1juh s ILE 6 Cb 0.00 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1juh s ILE 6 CO 0.00 0.20 -0.11 0.68 -1.23 0.00 0.00 174.94 174.48 1juh s VAL 7 N 0.34 1.10 -0.19 2.92 -7.23 -0.53 -4.92 120.40 111.89 1juh s VAL 7 Ca 0.54 -1.78 0.22 0.00 -1.81 0.00 0.00 61.98 59.15 1juh s VAL 7 Cb -0.30 -1.55 -0.18 0.00 0.56 0.00 0.00 36.38 34.92 1juh s VAL 7 CO 0.33 -0.58 0.77 -0.62 -0.31 0.00 0.00 175.10 174.69 1juh n GLU 8 N 0.33 0.59 -3.97 4.82 -0.58 -1.26 -4.38 120.64 116.17 1juh n GLU 8 Ca -0.14 -0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.46 1juh n GLU 8 Cb 0.58 -1.65 -0.11 0.00 -0.57 0.00 0.00 31.44 29.70 1juh n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1juh s ASP 9 N -4.77 0.23 0.39 1.62 1.11 -1.26 -1.54 116.67 112.46 1juh s ASP 9 Ca -0.04 -0.51 -0.27 0.00 0.18 0.00 0.00 52.55 51.91 1juh s ASP 9 Cb 0.12 0.13 -0.10 0.00 1.07 0.00 0.00 42.92 44.15 1juh s ASP 9 CO 0.85 -0.35 1.38 0.00 1.18 0.00 0.00 175.17 178.23 1juh s ALA 10 N -1.76 3.39 0.86 5.23 0.00 -1.26 -4.97 121.76 123.26 1juh s ALA 10 Ca -0.13 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1juh s ALA 10 Cb -0.07 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.62 1juh s ALA 10 CO -0.02 -0.93 1.15 -2.14 0.00 0.00 0.00 175.76 173.82 1juh s PRO 11 N -2.15 1.38 0.00 0.00 0.02 -1.26 -4.93 135.00 128.06 1juh s PRO 11 Ca 0.55 1.54 0.17 0.00 0.02 0.00 0.00 61.00 63.28 1juh s PRO 11 Cb -0.42 -1.77 0.57 0.00 0.02 0.00 0.00 34.50 32.90 1juh s PRO 11 CO 0.55 -2.36 1.43 -0.40 -0.33 0.00 0.00 177.00 175.89 1juh n ASP 12 N -3.86 1.77 -3.99 2.53 5.68 -1.26 -3.13 116.55 114.28 1juh n ASP 12 Ca 0.12 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.48 1juh n ASP 12 Cb 0.52 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 1juh n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1juh s HIS 13 N -1.68 0.45 -0.01 2.11 -3.43 -1.24 -4.65 115.29 106.84 1juh s HIS 13 Ca 0.29 -0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 1juh s HIS 13 Cb 0.15 -0.00 -0.05 0.00 -1.43 0.00 0.00 32.58 31.25 1juh s HIS 13 CO 0.22 -0.82 1.26 0.08 -2.00 0.00 0.00 174.74 173.47 1juh s VAL 14 N -4.01 4.03 -0.04 -5.38 1.01 -1.24 -4.50 120.40 110.27 1juh s VAL 14 Ca 0.22 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1juh s VAL 14 Cb 0.02 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1juh s VAL 14 CO 0.05 0.03 0.96 0.00 0.00 0.00 0.00 175.10 176.14 1juh s ARG 15 N 1.93 0.71 0.30 2.72 1.70 -1.26 -5.07 118.95 119.98 1juh s ARG 15 Ca 0.59 -0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 55.29 1juh s ARG 15 Cb -0.28 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.33 1juh s ARG 15 CO 0.25 -0.31 1.21 -2.14 -1.08 0.00 0.00 175.30 173.23 1juh s PRO 16 N -2.96 4.49 0.15 3.89 0.02 -1.26 -4.64 135.00 134.68 1juh s PRO 16 Ca 0.06 2.02 -0.24 0.00 0.02 0.00 0.00 61.00 62.85 1juh s PRO 16 Cb -0.01 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.44 1juh s PRO 16 CO -0.08 -0.01 0.79 1.52 -0.33 0.00 0.00 177.00 178.90 1juh s TYR 17 N -1.08 -0.29 -0.02 6.54 -0.85 -1.06 -4.89 117.35 115.70 1juh s TYR 17 Ca 0.47 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 57.06 1juh s TYR 17 Cb -0.36 0.62 -0.00 0.00 0.38 0.00 0.00 41.96 42.60 1juh s TYR 17 CO 0.47 -0.88 -0.10 0.08 -1.52 0.00 0.00 175.55 173.60 1juh s VAL 18 N -3.53 0.81 -0.09 -3.49 1.01 -0.47 -0.73 120.40 113.91 1juh s VAL 18 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1juh s VAL 18 Cb -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1juh s VAL 18 CO -0.03 0.24 -0.08 -0.51 0.00 0.00 0.00 175.10 174.72 1juh s ILE 19 N 0.07 0.97 0.57 2.22 2.07 0.01 -1.45 121.20 125.65 1juh s ILE 19 Ca -0.01 -0.31 -0.19 0.00 -1.41 0.00 0.00 60.65 58.73 1juh s ILE 19 Cb -0.07 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 1juh s ILE 19 CO 0.00 0.34 1.15 -0.13 -1.91 0.00 0.00 174.94 174.39 1juh s ARG 20 N 1.27 3.18 0.32 3.50 1.81 -1.26 -1.07 118.95 126.71 1juh s ARG 20 Ca -0.04 1.65 -0.28 0.00 -1.72 0.00 0.00 55.73 55.34 1juh s ARG 20 Cb -0.14 -1.98 -0.13 0.00 -0.45 0.00 0.00 34.95 32.26 1juh s ARG 20 CO -0.03 -0.99 1.26 1.58 -0.68 0.00 0.00 175.30 176.44 1juh n HIS 21 N -1.51 2.11 -1.39 -0.53 -0.00 -1.25 -1.87 115.22 110.78 1juh n HIS 21 Ca 0.12 0.56 -0.13 0.00 0.46 0.00 0.00 57.72 58.73 1juh n HIS 21 Cb 0.51 -2.39 -0.06 0.00 -0.12 0.00 0.00 29.99 27.92 1juh n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1juh n TYR 22 N 0.52 0.00 -0.88 1.57 4.01 -1.26 -4.98 117.16 116.14 1juh n TYR 22 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 1juh n TYR 22 Cb 0.35 -2.66 0.17 0.00 -0.31 0.00 0.00 39.34 36.88 1juh n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1juh s SER 23 N -2.64 2.87 0.18 7.72 0.01 -0.78 -4.82 113.70 116.25 1juh s SER 23 Ca 0.00 1.80 -0.16 0.00 1.31 0.00 0.00 55.95 58.90 1juh s SER 23 Cb 0.00 -2.40 0.15 0.00 0.21 0.00 0.00 66.02 63.98 1juh s SER 23 CO 0.00 -3.07 1.65 -0.74 0.41 0.00 0.00 173.24 171.49 1juh h HIS 24 N -1.84 -0.29 -6.86 2.43 2.76 -1.88 -3.46 115.15 106.01 1juh h HIS 24 Ca -0.49 0.04 -0.57 0.00 -2.20 0.00 0.00 60.37 57.15 1juh h HIS 24 Cb 1.28 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 30.30 1juh h HIS 24 CO 0.44 -0.22 -0.94 0.00 -1.30 0.00 0.00 177.93 175.91 1juh n ALA 25 N -2.86 -2.02 -3.94 5.26 0.00 -0.59 -1.01 120.51 115.36 1juh n ALA 25 Ca 0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1juh n ALA 25 Cb 0.27 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.66 1juh n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1juh n ARG 26 N -4.52 -4.63 -1.61 0.00 1.74 -1.26 -0.88 116.66 105.51 1juh n ARG 26 Ca -0.32 0.53 -0.48 0.00 -0.77 0.00 0.00 57.85 56.81 1juh n ARG 26 Cb 0.69 -5.21 -0.04 0.00 -1.02 0.00 0.00 32.46 26.89 1juh n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1juh n ALA 27 N -4.51 -0.21 -2.87 7.54 0.00 -0.18 -4.72 120.51 115.56 1juh n ALA 27 Ca -0.07 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1juh n ALA 27 Cb 0.57 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 1juh n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1juh s VAL 28 N -0.17 0.12 0.10 0.00 0.11 -0.83 -1.78 120.40 117.94 1juh s VAL 28 Ca 0.71 -0.98 0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1juh s VAL 28 Cb -0.79 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1juh s VAL 28 CO 0.52 -0.54 -0.25 0.42 -3.33 0.00 0.00 175.10 171.92 1juh s THR 29 N -1.96 2.08 -0.21 5.04 -4.23 0.01 -0.27 115.64 116.09 1juh s THR 29 Ca -0.11 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1juh s THR 29 Cb -0.05 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1juh s THR 29 CO -0.02 0.12 0.01 -0.69 -0.54 0.00 0.00 174.62 173.49 1juh s VAL 30 N -1.02 0.83 0.00 2.29 1.01 -0.45 -0.74 120.40 122.32 1juh s VAL 30 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1juh s VAL 30 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1juh s VAL 30 CO 0.05 -0.18 0.00 0.47 0.00 0.00 0.00 175.10 175.43 1juh n ASP 31 N 4.93 0.00 -0.26 3.32 8.00 -1.26 -1.21 116.55 130.07 1juh n ASP 31 Ca -0.10 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.54 1juh n ASP 31 Cb 0.46 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 42.07 1juh n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1juh n THR 32 N 0.00 0.00 -3.12 -3.53 -2.24 -1.26 -4.89 114.28 99.24 1juh n THR 32 Ca 0.00 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1juh n THR 32 Cb 0.00 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 1juh n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1juh s GLN 33 N -2.33 4.39 -0.16 -0.78 -0.21 -0.35 -4.51 119.66 115.71 1juh s GLN 33 Ca 0.30 0.88 -0.01 0.00 0.02 0.00 0.00 55.36 56.55 1juh s GLN 33 Cb 0.20 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 1juh s GLN 33 CO 0.45 0.38 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.71 1juh s LEU 34 N -0.30 2.66 -0.09 2.90 0.20 -0.29 -1.35 118.68 122.42 1juh s LEU 34 Ca 0.34 -0.40 -0.02 0.00 0.69 0.00 0.00 54.13 54.74 1juh s LEU 34 Cb -0.19 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1juh s LEU 34 CO 0.20 0.09 -0.01 -0.31 -0.29 0.00 0.00 176.35 176.03 1juh s TYR 35 N 0.82 3.14 -0.00 5.38 2.02 0.62 -1.10 117.35 128.23 1juh s TYR 35 Ca -0.04 0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.88 1juh s TYR 35 Cb -0.15 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1juh s TYR 35 CO 0.00 0.44 -0.16 1.03 -1.57 0.00 0.00 175.55 175.29 1juh s ARG 36 N -0.84 1.28 -0.57 -0.62 0.52 0.45 -1.97 118.95 117.20 1juh s ARG 36 Ca 0.13 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1juh s ARG 36 Cb -0.11 -1.26 0.15 0.00 0.52 0.00 0.00 34.95 34.25 1juh s ARG 36 CO 0.02 0.34 0.36 -0.06 0.02 0.00 0.00 175.30 175.98 1juh s PHE 37 N -0.47 3.39 0.14 -0.53 0.08 -0.06 -0.54 117.98 119.99 1juh s PHE 37 Ca 0.06 -2.79 -0.08 0.00 0.12 0.00 0.00 56.93 54.23 1juh s PHE 37 Cb -0.07 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 1juh s PHE 37 CO -0.00 -0.84 1.38 1.88 -0.10 0.00 0.00 175.22 177.54 1juh h TYR 38 N 7.04 0.90 -3.42 0.36 0.05 -1.55 -3.38 116.97 116.97 1juh h TYR 38 Ca -0.04 -0.37 -0.48 0.00 0.05 0.00 0.00 58.73 57.89 1juh h TYR 38 Cb 0.95 -0.15 -0.34 0.00 1.01 0.00 0.00 36.73 38.20 1juh h TYR 38 CO 0.64 1.17 -0.80 0.08 -1.05 0.00 0.00 178.16 178.21 1juh s VAL 39 N -3.82 0.91 0.49 -2.88 1.01 -0.48 -4.58 120.40 111.05 1juh s VAL 39 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1juh s VAL 39 Cb 0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1juh s VAL 39 CO 0.88 0.31 0.01 0.42 0.00 0.00 0.00 175.10 176.72 1juh s THR 40 N 0.79 1.16 0.07 3.92 -4.23 -1.26 -1.12 115.64 114.98 1juh s THR 40 Ca -0.13 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.12 1juh s THR 40 Cb -0.15 -2.23 -0.17 0.00 1.34 0.00 0.00 72.50 71.29 1juh s THR 40 CO 0.02 0.00 1.64 1.23 -0.54 0.00 0.00 174.62 176.97 1juh h GLY 41 N 1.42 -0.28 0.93 3.99 0.00 -1.85 -1.29 103.07 105.99 1juh h GLY 41 Ca -0.43 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1juh h GLY 41 CO 0.73 -0.10 0.53 -2.55 0.00 0.00 0.00 176.54 175.14 1juh h PRO 42 N -0.33 1.01 0.00 4.80 0.11 -1.88 0.47 132.00 136.19 1juh h PRO 42 Ca -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1juh h PRO 42 Cb 0.25 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1juh h PRO 42 CO 0.05 0.67 -0.10 1.03 -0.21 0.00 0.00 178.00 179.44 1juh h SER 43 N 1.05 0.00 -0.21 -2.05 0.87 -1.46 -3.15 113.55 108.60 1juh h SER 43 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1juh h SER 43 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1juh h SER 43 CO -0.09 0.10 0.00 -1.54 -0.53 0.00 0.00 176.83 174.77 1juh n SER 44 N -3.26 2.55 -1.96 6.23 3.41 -0.50 -4.25 113.62 115.83 1juh n SER 44 Ca 0.00 -1.97 -0.16 0.00 -0.26 0.00 0.00 58.87 56.48 1juh n SER 44 Cb 0.35 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1juh n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juh n GLY 45 N 0.16 -0.25 2.44 5.00 0.00 -0.52 -2.51 105.19 109.51 1juh n GLY 45 Ca 0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1juh n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1juh n TYR 46 N -4.08 0.00 -0.05 1.61 4.01 0.15 -4.92 117.16 113.89 1juh n TYR 46 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1juh n TYR 46 Cb 0.62 -2.67 -0.07 0.00 -0.31 0.00 0.00 39.34 36.91 1juh n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1juh h ALA 47 N 0.00 0.19 -2.22 -0.72 0.00 -1.74 -0.58 119.26 114.20 1juh h ALA 47 Ca -0.31 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 54.48 1juh h ALA 47 Cb 0.99 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1juh h ALA 47 CO 0.45 0.04 0.53 -0.59 0.00 0.00 0.00 179.25 179.68 1juh s PHE 48 N -4.38 -0.17 -0.04 0.00 -0.12 -1.26 -3.17 117.98 108.83 1juh s PHE 48 Ca -0.14 -0.07 0.07 0.00 -0.05 0.00 0.00 56.93 56.73 1juh s PHE 48 Cb 0.05 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 43.03 1juh s PHE 48 CO 0.74 -0.70 -0.25 0.99 -0.05 0.00 0.00 175.22 175.95 1juh s THR 49 N -3.15 2.05 -0.20 -4.49 2.01 -0.07 -4.29 115.64 107.51 1juh s THR 49 Ca 0.11 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1juh s THR 49 Cb -0.01 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.83 1juh s THR 49 CO -0.01 0.57 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.21 1juh s LEU 50 N -0.31 2.02 0.18 4.42 0.20 -0.27 -1.32 118.68 123.59 1juh s LEU 50 Ca 0.01 -0.88 0.07 0.00 0.69 0.00 0.00 54.13 54.02 1juh s LEU 50 Cb -0.12 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1juh s LEU 50 CO 0.02 -0.20 -0.13 0.00 -0.29 0.00 0.00 176.35 175.75 1juh s MET 51 N 1.52 1.22 -0.04 1.98 0.23 -0.17 -1.39 119.30 122.65 1juh s MET 51 Ca -0.02 -1.50 0.06 0.00 -1.03 0.00 0.00 55.69 53.20 1juh s MET 51 Cb -0.17 -0.96 -0.01 0.00 -1.53 0.00 0.00 34.83 32.16 1juh s MET 51 CO -0.07 0.16 -0.23 0.20 -2.03 0.00 0.00 175.02 173.04 1juh s GLY 52 N -3.15 1.18 -0.15 3.16 0.00 0.30 -0.46 107.32 108.19 1juh s GLY 52 Ca 0.19 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1juh s GLY 52 CO 0.05 -0.67 -0.19 -1.59 0.00 0.00 0.00 173.10 170.70 1juh s THR 53 N -0.27 1.89 -0.07 0.90 2.01 0.75 -0.41 115.64 120.44 1juh s THR 53 Ca 0.01 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1juh s THR 53 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1juh s THR 53 CO 0.02 0.51 -0.15 0.20 -0.69 0.00 0.00 174.62 174.51 1juh s ASN 54 N 1.14 3.95 0.01 3.53 -0.87 -0.26 -0.77 114.94 121.67 1juh s ASN 54 Ca -0.00 -0.26 -0.28 0.00 -1.57 0.00 0.00 52.86 50.75 1juh s ASN 54 Cb -0.14 -1.05 0.09 0.00 -0.02 0.00 0.00 41.25 40.12 1juh s ASN 54 CO -0.08 0.29 0.76 0.00 -2.57 0.00 0.00 177.10 175.50 1juh s ALA 55 N -0.39 -1.76 0.74 0.60 0.00 -0.76 -1.14 121.76 119.06 1juh s ALA 55 Ca 0.04 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1juh s ALA 55 Cb -0.12 0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.37 1juh s ALA 55 CO 0.02 -0.56 1.03 -1.25 0.00 0.00 0.00 175.76 175.00 1juh s PRO 56 N -2.41 1.69 0.40 0.00 0.04 -1.26 -2.85 135.00 130.63 1juh s PRO 56 Ca -0.02 -0.80 -0.26 0.00 0.04 0.00 0.00 61.00 59.95 1juh s PRO 56 Cb -0.01 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1juh s PRO 56 CO -0.03 -1.49 1.37 1.58 0.04 0.00 0.00 177.00 178.48 1juh n HIS 57 N -2.95 2.54 -4.09 0.56 -0.00 -1.19 -4.74 115.22 105.35 1juh n HIS 57 Ca 0.13 0.48 -0.14 0.00 -0.00 0.00 0.00 57.72 58.19 1juh n HIS 57 Cb 0.60 -2.45 -0.13 0.00 -0.00 0.00 0.00 29.99 28.01 1juh n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1juh s SER 58 N -0.37 0.62 0.00 0.26 0.15 -0.62 -5.00 113.70 108.74 1juh s SER 58 Ca 0.58 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 57.23 1juh s SER 58 Cb -0.49 -0.02 0.86 0.00 -1.71 0.00 0.00 66.02 64.66 1juh s SER 58 CO 0.60 -0.05 1.63 0.47 1.20 0.00 0.00 173.24 177.10 1juh n ASP 59 N 2.40 1.79 -4.47 5.45 8.00 -1.26 -4.61 116.55 123.85 1juh n ASP 59 Ca -0.17 -1.62 -0.24 0.00 0.71 0.00 0.00 54.79 53.48 1juh n ASP 59 Cb 0.57 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 1juh n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1juh s ALA 60 N -1.94 2.70 0.54 2.24 0.00 -1.26 -5.11 121.76 118.92 1juh s ALA 60 Ca 0.36 -1.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 1juh s ALA 60 Cb 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1juh s ALA 60 CO 0.32 0.17 1.34 1.28 0.00 0.00 0.00 175.76 178.87 1juh n LEU 61 N -0.64 5.39 -0.00 0.00 4.77 -1.26 -4.60 117.00 120.66 1juh n LEU 61 Ca -0.05 0.98 0.14 0.00 -0.03 0.00 0.00 56.01 57.04 1juh n LEU 61 Cb 0.61 -1.57 0.54 0.00 -2.33 0.00 0.00 43.42 40.68 1juh n LEU 61 CO 0.39 -0.62 0.85 0.61 -1.33 0.00 0.00 177.39 177.29 1juh n GLY 62 N 0.77 -1.44 3.56 -0.72 0.00 0.97 -4.86 105.19 103.47 1juh n GLY 62 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1juh n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juh s VAL 63 N -3.00 0.00 0.47 1.61 0.11 -1.26 -4.98 120.40 113.35 1juh s VAL 63 Ca 0.13 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 1juh s VAL 63 Cb 0.19 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1juh s VAL 63 CO 0.57 0.00 1.16 -0.76 -3.33 0.00 0.00 175.10 172.74 1juh s LEU 64 N -0.84 3.99 0.28 2.54 1.43 -1.26 -4.55 118.68 120.27 1juh s LEU 64 Ca -0.05 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1juh s LEU 64 Cb -0.01 -4.26 -0.13 0.00 0.03 0.00 0.00 46.19 41.81 1juh s LEU 64 CO 0.05 -0.94 1.32 -2.65 0.23 0.00 0.00 176.35 174.35 1juh n PRO 65 N -0.54 1.96 -3.85 1.29 -0.02 -1.26 -4.82 135.00 127.76 1juh n PRO 65 Ca 0.08 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.17 1juh n PRO 65 Cb 0.48 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1juh n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1juh s HIS 66 N -0.52 0.03 0.12 6.00 -3.43 -0.78 -1.93 115.29 114.78 1juh s HIS 66 Ca 0.63 -0.59 0.06 0.00 -0.80 0.00 0.00 55.06 54.36 1juh s HIS 66 Cb -0.64 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1juh s HIS 66 CO 0.55 -1.39 -0.14 0.42 -2.00 0.00 0.00 174.74 172.18 1juh s ILE 67 N -3.09 1.31 -0.12 -5.38 1.01 -0.36 -1.26 121.20 113.30 1juh s ILE 67 Ca 0.14 -1.71 0.03 0.00 0.00 0.00 0.00 60.65 59.12 1juh s ILE 67 Cb -0.05 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.91 1juh s ILE 67 CO 0.10 -0.42 -0.22 -1.00 0.00 0.00 0.00 174.94 173.39 1juh s HIS 68 N -2.15 2.56 -0.27 3.97 3.76 -1.26 -1.44 115.29 120.45 1juh s HIS 68 Ca 0.09 -1.18 0.22 0.00 -0.15 0.00 0.00 55.06 54.04 1juh s HIS 68 Cb -0.05 -1.73 0.07 0.00 1.11 0.00 0.00 32.58 31.98 1juh s HIS 68 CO 0.03 -0.51 1.18 1.96 -0.85 0.00 0.00 174.74 176.54 1juh h GLN 69 N 7.05 0.00 0.00 1.40 4.20 -1.96 0.00 115.11 125.80 1juh h GLN 69 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1juh h GLN 69 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1juh h GLN 69 CO 0.51 0.06 0.00 1.63 -0.67 0.00 0.00 178.83 180.36 1juh n LYS 70 N -2.83 0.51 -5.04 1.46 5.02 -1.26 -4.68 118.16 111.35 1juh n LYS 70 Ca 0.00 -0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 55.61 1juh n LYS 70 Cb 0.59 -0.90 -0.16 0.00 -0.02 0.00 0.00 35.03 34.54 1juh n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1juh s HIS 71 N -0.19 1.95 -0.26 2.13 3.76 -1.26 -4.33 115.29 117.10 1juh s HIS 71 Ca 0.00 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.34 1juh s HIS 71 Cb 0.00 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 1juh s HIS 71 CO 0.00 -0.09 0.27 -0.47 -0.85 0.00 0.00 174.74 173.60 1juh s TYR 72 N -0.33 3.27 -0.02 1.40 6.14 0.10 -4.04 117.35 123.87 1juh s TYR 72 Ca 0.04 0.30 -0.02 0.00 0.64 0.00 0.00 57.07 58.03 1juh s TYR 72 Cb -0.10 -2.43 -0.04 0.00 0.42 0.00 0.00 41.96 39.81 1juh s TYR 72 CO 0.01 -0.11 0.14 -2.00 0.64 0.00 0.00 175.55 174.23 1juh s GLU 73 N 1.62 3.29 -0.05 4.97 2.12 0.04 -1.84 118.70 128.85 1juh s GLU 73 Ca 0.11 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1juh s GLU 73 Cb -0.15 -3.01 0.03 0.00 0.26 0.00 0.00 34.13 31.25 1juh s GLU 73 CO 0.09 0.68 -0.02 -0.80 -0.54 0.00 0.00 175.26 174.67 1juh s ASN 74 N -1.75 1.03 -0.19 -1.70 0.01 -0.67 -0.87 114.94 110.79 1juh s ASN 74 Ca 0.24 -0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.26 1juh s ASN 74 Cb -0.12 -0.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.13 1juh s ASN 74 CO 0.15 -0.12 -0.00 -0.36 -1.51 0.00 0.00 177.10 175.27 1juh s PHE 75 N 1.32 3.05 -0.06 2.20 0.40 -0.16 -1.92 117.98 122.81 1juh s PHE 75 Ca -0.05 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1juh s PHE 75 Cb -0.13 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.35 1juh s PHE 75 CO -0.02 -0.17 -0.07 -0.47 0.70 0.00 0.00 175.22 175.19 1juh s TYR 76 N 0.84 1.05 -0.37 0.36 5.04 -0.46 -0.60 117.35 123.20 1juh s TYR 76 Ca 0.01 -0.37 -0.22 0.00 -2.44 0.00 0.00 57.07 54.04 1juh s TYR 76 Cb -0.14 -0.88 0.01 0.00 0.35 0.00 0.00 41.96 41.30 1juh s TYR 76 CO 0.02 -0.28 0.71 0.00 -1.34 0.00 0.00 175.55 174.66 1juh h ASN 78 N 8.52 0.83 -5.05 0.00 4.21 -1.38 0.21 115.58 122.92 1juh h ASN 78 Ca -0.25 -0.87 0.08 0.00 1.21 0.00 0.00 56.30 56.47 1juh h ASN 78 Cb 1.10 -0.27 -0.07 0.00 -1.12 0.00 0.00 38.32 37.96 1juh h ASN 78 CO 0.88 1.63 0.29 -1.59 -1.29 0.00 0.00 177.43 177.34 1juh s LYS 79 N -2.80 1.55 3.66 0.81 -2.85 -1.18 -4.50 119.74 114.42 1juh s LYS 79 Ca -0.10 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1juh s LYS 79 Cb 0.04 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1juh s LYS 79 CO 0.93 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1juh n GLY 80 N -0.44 0.33 3.56 0.59 0.00 -1.16 -1.29 105.19 106.79 1juh n GLY 80 Ca -0.07 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1juh n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1juh s SER 81 N -4.00 -0.42 -0.02 1.61 0.15 -1.26 -3.54 113.70 106.22 1juh s SER 81 Ca 0.00 0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.86 1juh s SER 81 Cb 0.00 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1juh s SER 81 CO 0.00 -0.41 0.48 0.72 1.20 0.00 0.00 173.24 175.23 1juh s PHE 82 N -1.26 -0.39 0.04 3.44 -0.12 -0.68 -0.85 117.98 118.15 1juh s PHE 82 Ca -0.03 0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 57.38 1juh s PHE 82 Cb -0.00 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1juh s PHE 82 CO 0.02 -0.51 0.33 -1.14 -0.05 0.00 0.00 175.22 173.88 1juh s GLN 83 N -1.44 3.68 -0.05 1.99 0.74 -0.02 -0.28 119.66 124.29 1juh s GLN 83 Ca -0.11 0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.40 1juh s GLN 83 Cb -0.03 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1juh s GLN 83 CO 0.06 0.62 -0.14 -1.17 -0.55 0.00 0.00 175.29 174.10 1juh s LEU 84 N -1.75 1.82 0.04 3.68 2.96 -0.08 -0.99 118.68 124.35 1juh s LEU 84 Ca 0.29 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1juh s LEU 84 Cb -0.14 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1juh s LEU 84 CO 0.16 0.10 -0.21 0.26 -1.32 0.00 0.00 176.35 175.34 1juh s TRP 85 N 0.25 2.47 -0.11 5.38 0.51 -0.48 -1.80 118.94 125.17 1juh s TRP 85 Ca -0.07 -0.32 -0.20 0.00 -2.12 0.00 0.00 56.10 53.39 1juh s TRP 85 Cb -0.12 -1.44 0.05 0.00 -0.81 0.00 0.00 33.47 31.14 1juh s TRP 85 CO 0.03 0.19 0.49 0.00 -0.51 0.00 0.00 176.95 177.15 1juh s ALA 86 N -0.86 -1.24 -0.20 0.98 0.00 0.03 -2.65 121.76 117.82 1juh s ALA 86 Ca 0.13 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1juh s ALA 86 Cb -0.10 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.71 1juh s ALA 86 CO 0.04 -0.28 0.48 -1.14 0.00 0.00 0.00 175.76 174.86 1juh s GLN 87 N -0.55 0.50 -0.17 0.00 0.74 -0.36 -0.98 119.66 118.84 1juh s GLN 87 Ca -0.07 0.86 -0.04 0.00 0.05 0.00 0.00 55.36 56.16 1juh s GLN 87 Cb -0.03 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1juh s GLN 87 CO 0.04 -0.14 -0.02 0.45 -0.55 0.00 0.00 175.29 175.07 1juh s SER 88 N 1.20 4.81 0.69 6.67 0.15 -1.26 -1.17 113.70 124.79 1juh s SER 88 Ca -0.08 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1juh s SER 88 Cb -0.07 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1juh s SER 88 CO -0.11 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1juh n GLY 89 N 3.82 2.91 1.36 9.45 0.00 -1.26 -1.17 105.19 120.31 1juh n GLY 89 Ca -0.17 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1juh n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1juh n ASN 90 N 3.26 4.53 -4.77 1.61 3.02 -1.26 -4.98 115.26 116.66 1juh n ASN 90 Ca 0.00 -2.63 -0.31 0.00 -0.03 0.00 0.00 54.58 51.61 1juh n ASN 90 Cb 0.00 -0.55 0.09 0.00 -0.61 0.00 0.00 39.78 38.71 1juh n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1juh s GLU 91 N -2.17 2.32 0.29 3.52 2.02 -0.31 -4.93 118.70 119.44 1juh s GLU 91 Ca 0.46 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 56.26 1juh s GLU 91 Cb 0.32 -1.91 -0.12 0.00 0.10 0.00 0.00 34.13 32.52 1juh s GLU 91 CO 0.18 -1.58 1.50 2.41 0.02 0.00 0.00 175.26 177.79 1juh n THR 92 N -3.47 1.17 -2.33 3.63 -1.04 -1.26 -4.65 114.28 106.33 1juh n THR 92 Ca 0.09 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.05 61.39 1juh n THR 92 Cb 0.53 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 1juh n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1juh s GLN 93 N -0.74 4.44 0.03 -2.82 0.74 -1.26 -4.78 119.66 115.27 1juh s GLN 93 Ca 0.64 1.91 0.04 0.00 0.05 0.00 0.00 55.36 58.00 1juh s GLN 93 Cb -0.55 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1juh s GLN 93 CO 0.51 -0.20 -0.07 -0.65 -0.55 0.00 0.00 175.29 174.34 1juh s GLN 94 N 0.23 2.48 -0.06 1.67 -1.52 -0.15 -4.25 119.66 118.06 1juh s GLN 94 Ca 0.56 -0.78 -0.10 0.00 -1.95 0.00 0.00 55.36 53.09 1juh s GLN 94 Cb -0.33 -2.47 0.02 0.00 -0.22 0.00 0.00 33.01 30.01 1juh s GLN 94 CO 0.35 0.58 0.26 -0.08 -0.25 0.00 0.00 175.29 176.14 1juh s THR 95 N -1.06 0.03 0.02 -0.19 -1.32 -0.42 -0.79 115.64 111.92 1juh s THR 95 Ca 0.19 -0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 1juh s THR 95 Cb -0.11 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1juh s THR 95 CO 0.10 -0.13 0.10 -0.13 -2.21 0.00 0.00 174.62 172.34 1juh s ARG 96 N -0.49 0.51 -0.38 7.08 1.81 -0.75 -2.17 118.95 124.57 1juh s ARG 96 Ca -0.06 -0.60 -0.13 0.00 -1.72 0.00 0.00 55.73 53.23 1juh s ARG 96 Cb -0.04 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.68 1juh s ARG 96 CO 0.02 -0.12 0.24 0.08 -0.68 0.00 0.00 175.30 174.84 1juh s VAL 97 N -1.99 4.96 -0.04 3.52 1.01 0.15 -0.91 120.40 127.10 1juh s VAL 97 Ca -0.10 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1juh s VAL 97 Cb -0.05 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1juh s VAL 97 CO -0.02 -0.21 0.64 -0.76 0.00 0.00 0.00 175.10 174.75 1juh s LEU 98 N 1.63 4.35 0.00 3.92 1.02 0.62 -4.92 118.68 125.30 1juh s LEU 98 Ca 0.04 1.14 0.01 0.00 0.02 0.00 0.00 54.13 55.34 1juh s LEU 98 Cb -0.19 -2.98 0.01 0.00 0.02 0.00 0.00 46.19 43.05 1juh s LEU 98 CO 0.09 -0.01 0.09 -1.54 0.02 0.00 0.00 176.35 174.99 1juh n SER 99 N 3.33 2.81 -4.66 2.29 3.41 -1.26 -1.69 113.62 117.85 1juh n SER 99 Ca -0.04 -2.57 -0.58 0.00 -0.26 0.00 0.00 58.87 55.42 1juh n SER 99 Cb 0.51 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 1juh n SER 99 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1juh n SER 100 N -1.42 1.69 0.00 4.04 2.88 -1.23 -1.18 113.62 118.40 1juh n SER 100 Ca -0.11 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1juh n SER 100 Cb 0.47 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1juh n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1juh n GLY 101 N 3.38 1.43 3.84 0.46 0.00 0.75 -4.74 105.19 110.31 1juh n GLY 101 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1juh n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 102 N -3.09 6.41 0.01 1.61 1.01 -0.32 -3.83 116.67 118.46 1juh s ASP 102 Ca 0.00 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.85 1juh s ASP 102 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1juh s ASP 102 CO 0.00 -0.74 -0.05 -0.47 0.21 0.00 0.00 175.17 174.12 1juh s TYR 103 N -2.73 0.48 -0.06 4.23 5.04 -0.24 -1.45 117.35 122.63 1juh s TYR 103 Ca 0.59 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 1juh s TYR 103 Cb -0.11 -0.30 0.02 0.00 0.35 0.00 0.00 41.96 41.92 1juh s TYR 103 CO 0.37 -0.03 -0.07 0.20 -1.34 0.00 0.00 175.55 174.68 1juh s GLY 104 N -0.52 0.60 -0.21 8.97 0.00 0.23 -1.21 107.32 115.19 1juh s GLY 104 Ca -0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.40 1juh s GLY 104 CO -0.00 0.38 0.08 -0.45 0.00 0.00 0.00 173.10 173.11 1juh s SER 105 N 0.93 5.56 -0.50 1.64 0.15 0.62 -0.98 113.70 121.11 1juh s SER 105 Ca -0.11 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1juh s SER 105 Cb -0.15 -1.97 0.14 0.00 -1.71 0.00 0.00 66.02 62.33 1juh s SER 105 CO 0.01 0.10 0.30 -0.69 1.20 0.00 0.00 173.24 174.15 1juh s VAL 106 N 0.84 1.85 1.12 4.45 1.01 -0.05 -2.79 120.40 126.83 1juh s VAL 106 Ca 0.04 -3.04 -0.12 0.00 0.00 0.00 0.00 61.98 58.86 1juh s VAL 106 Cb -0.13 -2.27 0.26 0.00 0.00 0.00 0.00 36.38 34.23 1juh s VAL 106 CO 0.02 -0.92 1.03 -2.65 0.00 0.00 0.00 175.10 172.58 1juh n PRO 107 N 3.11 -2.00 -1.64 2.72 -0.02 -1.26 -0.78 135.00 135.13 1juh n PRO 107 Ca 0.11 -0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 60.66 1juh n PRO 107 Cb 0.35 -2.21 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1juh n PRO 107 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1juh n ARG 108 N -4.75 1.12 -2.73 -0.52 1.74 -1.26 -2.90 116.66 107.37 1juh n ARG 108 Ca 0.05 0.42 -0.19 0.00 -0.77 0.00 0.00 57.85 57.36 1juh n ARG 108 Cb 0.54 -2.24 0.02 0.00 -1.02 0.00 0.00 32.46 29.76 1juh n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1juh n ASN 109 N -0.65 -5.55 -4.20 0.55 3.02 -0.01 -4.91 115.26 103.50 1juh n ASN 109 Ca 0.12 -0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 1juh n ASN 109 Cb 0.46 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.01 1juh n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1juh s VAL 110 N -3.05 2.34 0.26 2.41 1.01 -1.14 -4.58 120.40 117.66 1juh s VAL 110 Ca 0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1juh s VAL 110 Cb -0.08 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1juh s VAL 110 CO 0.22 0.53 1.17 -0.89 0.00 0.00 0.00 175.10 176.12 1juh s THR 111 N 0.94 3.34 0.22 3.92 2.01 -0.31 -4.51 115.64 121.24 1juh s THR 111 Ca -0.04 1.28 -0.22 0.00 0.31 0.00 0.00 61.69 63.03 1juh s THR 111 Cb -0.15 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1juh s THR 111 CO -0.03 0.28 0.65 -1.38 -0.69 0.00 0.00 174.62 173.45 1juh s HIS 112 N -0.85 -0.35 0.20 4.92 -3.43 -0.39 -1.22 115.29 114.17 1juh s HIS 112 Ca 0.48 0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.52 1juh s HIS 112 Cb -0.34 0.62 0.05 0.00 -1.43 0.00 0.00 32.58 31.49 1juh s HIS 112 CO 0.42 -1.04 0.88 -0.08 -2.00 0.00 0.00 174.74 172.92 1juh s THR 113 N -3.84 0.00 0.17 -5.38 -1.32 -1.09 -1.86 115.64 102.32 1juh s THR 113 Ca 0.06 -0.79 -0.09 0.00 -1.21 0.00 0.00 61.69 59.67 1juh s THR 113 Cb -0.03 -2.07 -0.01 0.00 -1.51 0.00 0.00 72.50 68.88 1juh s THR 113 CO -0.03 0.00 0.28 0.72 -2.21 0.00 0.00 174.62 173.38 1juh s PHE 114 N -3.41 0.41 -0.07 9.09 -0.12 -1.26 -1.37 117.98 121.24 1juh s PHE 114 Ca 0.12 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.20 1juh s PHE 114 Cb -0.03 -0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.34 1juh s PHE 114 CO 0.04 -0.72 0.16 -1.14 -0.05 0.00 0.00 175.22 173.51 1juh s GLN 115 N -3.97 0.09 -0.02 1.99 0.74 -0.16 -0.02 119.66 118.31 1juh s GLN 115 Ca 0.18 0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.72 1juh s GLN 115 Cb 0.03 -0.19 -0.03 0.00 1.10 0.00 0.00 33.01 33.92 1juh s GLN 115 CO 0.00 -0.20 1.10 0.42 -0.55 0.00 0.00 175.29 176.06 1juh s ILE 116 N 1.45 4.49 -0.25 -2.34 -1.09 -1.26 -0.84 121.20 121.35 1juh s ILE 116 Ca -0.06 1.78 -0.15 0.00 -2.23 0.00 0.00 60.65 59.99 1juh s ILE 116 Cb -0.12 -4.14 -0.12 0.00 -1.58 0.00 0.00 42.46 36.50 1juh s ILE 116 CO -0.06 0.08 -0.30 1.67 -1.23 0.00 0.00 174.94 175.10 1juh n GLN 117 N 4.41 0.58 -3.33 2.79 7.27 -0.03 -1.59 117.38 127.48 1juh n GLN 117 Ca 0.08 0.29 -0.27 0.00 0.07 0.00 0.00 57.00 57.17 1juh n GLN 117 Cb 0.48 -1.51 -0.03 0.00 2.41 0.00 0.00 30.24 31.60 1juh n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1juh s ASP 118 N -7.16 6.40 0.26 1.69 1.01 -1.06 -4.35 116.67 113.45 1juh s ASP 118 Ca -0.36 0.64 -0.05 0.00 0.71 0.00 0.00 52.55 53.50 1juh s ASP 118 Cb 0.12 -2.11 0.31 0.00 1.01 0.00 0.00 42.92 42.24 1juh s ASP 118 CO 0.48 -0.23 1.93 -0.65 0.21 0.00 0.00 175.17 176.91 1juh h PRO 119 N 1.40 1.27 -2.32 8.23 0.11 -1.89 -3.13 132.00 135.68 1juh h PRO 119 Ca -0.48 -0.08 -0.70 0.00 0.11 0.00 0.00 66.00 64.85 1juh h PRO 119 Cb 1.20 -0.29 -0.34 0.00 0.11 0.00 0.00 31.00 31.68 1juh h PRO 119 CO 0.65 0.84 0.20 -3.47 -0.21 0.00 0.00 178.00 176.01 1juh n ASP 120 N -4.40 5.83 -4.79 -2.05 2.03 -1.26 -4.04 116.55 107.87 1juh n ASP 120 Ca 0.12 -3.65 -0.38 0.00 0.52 0.00 0.00 54.79 51.40 1juh n ASP 120 Cb 0.04 -0.89 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 1juh n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1juh s THR 121 N -4.13 5.05 -0.06 5.18 2.01 -1.13 -2.97 115.64 119.59 1juh s THR 121 Ca 0.43 0.93 0.01 0.00 0.31 0.00 0.00 61.69 63.36 1juh s THR 121 Cb 0.21 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1juh s THR 121 CO -0.10 0.48 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.55 1juh s GLU 122 N -0.43 1.02 -0.18 4.92 2.12 -0.41 -1.82 118.70 123.91 1juh s GLU 122 Ca 0.25 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.45 1juh s GLU 122 Cb -0.16 -1.05 0.02 0.00 0.26 0.00 0.00 34.13 33.20 1juh s GLU 122 CO 0.13 -0.12 -0.19 1.41 -0.54 0.00 0.00 175.26 175.94 1juh s MET 123 N 1.15 2.96 -0.19 4.30 -2.45 0.05 -0.97 119.30 124.16 1juh s MET 123 Ca -0.07 -0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 53.38 1juh s MET 123 Cb -0.14 -2.60 -0.04 0.00 1.25 0.00 0.00 34.83 33.30 1juh s MET 123 CO -0.01 -0.23 0.29 0.99 1.05 0.00 0.00 175.02 177.11 1juh s THR 124 N 1.29 5.29 -0.09 10.11 2.01 0.43 -0.17 115.64 134.50 1juh s THR 124 Ca 0.04 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1juh s THR 124 Cb -0.13 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1juh s THR 124 CO -0.12 0.34 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.21 1juh s GLY 125 N 0.74 1.60 -0.21 4.40 0.00 0.40 -1.36 107.32 112.88 1juh s GLY 125 Ca 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1juh s GLY 125 CO 0.05 -0.52 -0.14 0.14 0.00 0.00 0.00 173.10 172.63 1juh s VAL 126 N -0.36 1.95 -0.09 1.40 1.01 -0.81 -1.00 120.40 122.50 1juh s VAL 126 Ca 0.04 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1juh s VAL 126 Cb -0.12 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1juh s VAL 126 CO 0.02 0.24 -0.16 -0.63 0.00 0.00 0.00 175.10 174.58 1juh s ILE 127 N 1.27 2.85 -0.06 2.22 1.01 -0.44 -1.68 121.20 126.39 1juh s ILE 127 Ca -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1juh s ILE 127 Cb -0.16 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1juh s ILE 127 CO -0.09 0.56 -0.09 -0.69 0.00 0.00 0.00 174.94 174.63 1juh s VAL 128 N -0.12 0.90 1.09 2.92 1.01 -0.77 -0.89 120.40 124.54 1juh s VAL 128 Ca -0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1juh s VAL 128 Cb -0.14 -0.85 0.25 0.00 0.00 0.00 0.00 36.38 35.65 1juh s VAL 128 CO 0.04 0.30 1.24 -2.16 0.00 0.00 0.00 175.10 174.52 1juh s PRO 129 N 0.74 -0.41 0.65 2.72 0.04 -1.26 -0.73 135.00 136.75 1juh s PRO 129 Ca -0.13 -0.34 -0.11 0.00 0.04 0.00 0.00 61.00 60.46 1juh s PRO 129 Cb -0.15 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1juh s PRO 129 CO 0.02 -3.12 1.05 0.20 0.04 0.00 0.00 177.00 175.19 1juh s GLY 130 N -4.51 1.65 0.00 0.56 0.00 -0.23 -4.50 107.32 100.31 1juh s GLY 130 Ca 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1juh s GLY 130 CO 0.55 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.42 1juh n GLY 131 N -2.74 0.56 0.27 0.20 0.00 -1.26 -4.72 105.19 97.50 1juh n GLY 131 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1juh n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1juh h PHE 132 N 0.00 0.00 0.00 1.61 3.57 -1.95 -3.20 116.94 116.97 1juh h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1juh h PHE 132 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1juh h PHE 132 CO 0.00 0.10 0.22 1.05 -2.23 0.00 0.00 178.31 177.44 1juh h GLU 133 N 0.00 0.00 -0.70 1.11 9.09 -1.95 -1.52 114.58 120.60 1juh h GLU 133 Ca -0.00 0.00 0.14 0.00 0.05 0.00 0.00 59.36 59.55 1juh h GLU 133 Cb 0.32 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.38 1juh h GLU 133 CO 0.01 0.00 0.47 -0.44 0.05 0.00 0.00 179.01 179.11 1juh h ASP 134 N 0.00 0.32 -0.72 3.06 3.32 -1.99 -0.56 116.42 119.87 1juh h ASP 134 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1juh h ASP 134 Cb 0.43 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1juh h ASP 134 CO 0.00 0.17 0.44 0.25 -1.72 0.00 0.00 179.24 178.38 1juh h LEU 135 N 0.35 0.70 -0.50 1.55 7.12 -1.57 -0.96 115.31 122.00 1juh h LEU 135 Ca 0.34 0.01 -0.16 0.00 0.13 0.00 0.00 57.88 58.19 1juh h LEU 135 Cb 0.84 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1juh h LEU 135 CO -0.09 0.47 -0.56 -0.26 -0.13 0.00 0.00 178.44 177.87 1juh h PHE 136 N 0.84 0.72 -0.41 1.25 0.04 -1.32 -1.28 116.94 116.78 1juh h PHE 136 Ca 0.30 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1juh h PHE 136 Cb 0.08 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1juh h PHE 136 CO -0.05 1.00 0.26 1.88 -0.60 0.00 0.00 178.31 180.80 1juh h TYR 137 N 0.44 0.50 0.88 -0.55 0.05 -1.05 0.16 116.97 117.41 1juh h TYR 137 Ca 0.01 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1juh h TYR 137 Cb 1.11 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 38.69 1juh h TYR 137 CO 0.05 0.31 -0.43 -0.92 -1.05 0.00 0.00 178.16 176.12 1juh h TYR 138 N 0.54 -1.10 0.00 4.88 3.20 -0.99 -3.15 116.97 120.35 1juh h TYR 138 Ca 0.15 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1juh h TYR 138 Cb -0.05 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1juh h TYR 138 CO -0.05 -0.68 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.69 1juh h LEU 139 N -1.24 0.00-10.59 2.82 3.38 -1.28 -3.46 115.31 104.93 1juh h LEU 139 Ca -0.12 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.40 1juh h LEU 139 Cb 0.92 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.74 1juh h LEU 139 CO 0.20 0.03 0.14 -0.83 0.09 0.00 0.00 178.44 178.07 1juh s GLY 140 N -4.20 1.75 -0.12 0.83 0.00 0.58 -4.89 107.32 101.26 1juh s GLY 140 Ca 0.03 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1juh s GLY 140 CO 0.60 -0.79 -0.15 -1.59 0.00 0.00 0.00 173.10 171.18 1juh s THR 141 N -3.13 2.90 0.55 0.90 2.01 0.08 -4.89 115.64 114.06 1juh s THR 141 Ca 0.61 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 1juh s THR 141 Cb -0.09 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1juh s THR 141 CO 0.43 0.54 1.00 -0.46 -0.69 0.00 0.00 174.62 175.43 1juh n ASN 142 N 3.42 1.00 -3.84 3.53 6.94 -1.26 -0.81 115.26 124.23 1juh n ASN 142 Ca -0.18 0.87 -0.27 0.00 -0.02 0.00 0.00 54.58 54.98 1juh n ASN 142 Cb 0.53 -1.39 -0.17 0.00 -2.36 0.00 0.00 39.78 36.39 1juh n ASN 142 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1juh s ALA 143 N -1.45 1.19 0.13 -2.53 0.00 -0.74 -4.75 121.76 113.62 1juh s ALA 143 Ca 0.72 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 1juh s ALA 143 Cb -0.45 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 1juh s ALA 143 CO 0.50 -0.71 1.44 1.15 0.00 0.00 0.00 175.76 178.15 1juh h THR 144 N 6.35 1.27 -6.83 0.00 2.02 -1.95 -3.40 112.91 110.38 1juh h THR 144 Ca -0.23 -1.62 -0.55 0.00 0.77 0.00 0.00 66.41 64.79 1juh h THR 144 Cb 1.12 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1juh h THR 144 CO 0.36 0.54 -1.03 -0.67 0.37 0.00 0.00 175.52 175.09 1juh n ASP 145 N -4.05 -4.48 -0.32 4.18 -0.08 -1.26 -4.84 116.55 105.70 1juh n ASP 145 Ca -0.03 -1.17 0.11 0.00 -1.51 0.00 0.00 54.79 52.19 1juh n ASP 145 Cb 0.57 -1.79 0.29 0.00 2.34 0.00 0.00 41.12 42.53 1juh n ASP 145 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1juh h THR 146 N -1.80 0.66 -0.00 5.18 2.02 -1.99 -0.98 112.91 115.99 1juh h THR 146 Ca -0.68 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1juh h THR 146 Cb 1.40 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1juh h THR 146 CO 0.46 0.11 -0.04 0.35 0.37 0.00 0.00 175.52 176.77 1juh n THR 147 N -4.87 0.00 -2.86 3.16 -2.24 -1.26 -4.92 114.28 101.29 1juh n THR 147 Ca 0.21 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1juh n THR 147 Cb 0.55 -0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1juh n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1juh n HIS 148 N -0.97 -1.71 -2.11 4.78 -0.00 -0.37 -4.96 115.22 109.87 1juh n HIS 148 Ca 0.17 0.40 -0.40 0.00 -0.00 0.00 0.00 57.72 57.89 1juh n HIS 148 Cb 0.23 -4.32 -0.02 0.00 -0.00 0.00 0.00 29.99 25.88 1juh n HIS 148 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1juh s THR 149 N -3.14 2.71 0.21 1.59 -1.32 -1.26 -4.91 115.64 109.52 1juh s THR 149 Ca 0.23 0.69 -0.16 0.00 -1.21 0.00 0.00 61.69 61.24 1juh s THR 149 Cb -0.10 -3.44 0.22 0.00 -1.51 0.00 0.00 72.50 67.67 1juh s THR 149 CO 0.28 0.15 1.59 -0.65 -2.21 0.00 0.00 174.62 173.79 1juh h PRO 150 N 3.24 -0.07 -4.15 7.08 0.11 -1.95 -3.43 132.00 132.83 1juh h PRO 150 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1juh h PRO 150 Cb 1.23 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1juh h PRO 150 CO 0.65 -0.05 -0.52 1.52 -0.21 0.00 0.00 178.00 179.39 1juh s TYR 151 N -6.11 0.56 -0.17 0.65 -0.85 -1.26 -4.66 117.35 105.50 1juh s TYR 151 Ca -0.14 -0.97 -0.29 0.00 -0.52 0.00 0.00 57.07 55.14 1juh s TYR 151 Cb 0.19 -0.28 -0.00 0.00 0.38 0.00 0.00 41.96 42.24 1juh s TYR 151 CO 0.72 -0.55 1.11 0.42 -1.52 0.00 0.00 175.55 175.73 1juh s ILE 152 N -3.97 4.54 0.00 -3.49 -1.09 -1.26 -5.09 121.20 110.84 1juh s ILE 152 Ca 0.16 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 1juh s ILE 152 Cb 0.06 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1juh s ILE 152 CO -0.03 -0.12 0.57 -2.65 -1.23 0.00 0.00 174.94 171.49 1juh n PRO 153 N 6.05 0.00 0.00 2.79 -0.02 -1.26 -5.04 135.00 137.53 1juh n PRO 153 Ca 0.12 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1juh n PRO 153 Cb 0.46 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1juh n PRO 153 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1juh n SER 170 N 3.42 0.00 0.02 2.55 2.88 -1.26 -5.21 113.62 116.02 1juh n SER 170 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1juh n SER 170 Cb 0.00 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.00 1juh n SER 170 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1juh n THR 171 N -0.40 0.27 0.60 2.46 -2.24 -1.26 -3.28 114.28 110.43 1juh n THR 171 Ca 0.00 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1juh n THR 171 Cb 0.00 -0.61 0.43 0.00 -2.10 0.00 0.00 70.33 68.05 1juh n THR 171 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1juh n LEU 172 N -1.65 0.73 0.27 3.22 4.32 -1.26 -3.23 117.00 119.40 1juh n LEU 172 Ca 0.06 0.59 0.12 0.00 -0.02 0.00 0.00 56.01 56.76 1juh n LEU 172 Cb 0.33 -0.38 0.77 0.00 -1.62 0.00 0.00 43.42 42.51 1juh n LEU 172 CO 0.25 -0.25 1.04 1.56 -1.22 0.00 0.00 177.39 178.78 1juh h GLN 173 N 0.00 0.00 0.00 3.23 4.20 -1.48 0.21 115.11 121.27 1juh h GLN 173 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1juh h GLN 173 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1juh h GLN 173 CO 0.00 0.06 -0.10 1.03 -0.67 0.00 0.00 178.83 179.15 1juh h SER 174 N 0.00 0.00 -0.61 1.46 0.87 -1.81 -1.21 113.55 112.24 1juh h SER 174 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1juh h SER 174 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1juh h SER 174 CO 0.01 0.10 0.00 0.49 -0.53 0.00 0.00 176.83 176.90 1juh n PHE 175 N -3.61 1.60 -3.36 2.24 3.01 0.01 -4.93 117.46 112.42 1juh n PHE 175 Ca -0.02 -0.65 -0.19 0.00 1.01 0.00 0.00 57.45 57.61 1juh n PHE 175 Cb 0.22 -0.31 0.07 0.00 -0.01 0.00 0.00 39.48 39.45 1juh n PHE 175 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1juh n ASP 176 N 0.94 -5.18 -3.99 4.37 2.03 -0.46 -4.94 116.55 109.32 1juh n ASP 176 Ca 0.26 -0.44 -0.30 0.00 0.52 0.00 0.00 54.79 54.83 1juh n ASP 176 Cb 0.96 -4.18 -0.16 0.00 -0.72 0.00 0.00 41.12 37.02 1juh n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1juh s VAL 177 N -3.26 1.57 -0.23 5.18 1.01 -0.90 -4.31 120.40 119.46 1juh s VAL 177 Ca 0.42 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1juh s VAL 177 Cb -0.19 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1juh s VAL 177 CO 0.59 0.26 -0.09 -0.31 0.00 0.00 0.00 175.10 175.56 1juh s TYR 178 N 1.45 2.99 0.50 5.22 1.51 -0.52 -2.55 117.35 125.95 1juh s TYR 178 Ca 0.01 -1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 54.40 1juh s TYR 178 Cb -0.15 -2.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1juh s TYR 178 CO -0.09 -0.71 1.22 0.00 -1.11 0.00 0.00 175.55 174.86 1juh s ALA 179 N 1.35 2.87 -0.58 3.71 0.00 -1.26 -1.22 121.76 126.61 1juh s ALA 179 Ca 0.02 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1juh s ALA 179 Cb -0.15 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.68 1juh s ALA 179 CO -0.06 -0.92 0.38 -1.21 0.00 0.00 0.00 175.76 173.95 1juh s GLU 180 N -2.86 1.99 0.57 0.00 0.41 -0.82 -4.86 118.70 113.13 1juh s GLU 180 Ca 0.68 -2.82 0.36 0.00 -0.41 0.00 0.00 54.97 52.78 1juh s GLU 180 Cb -0.32 -3.01 1.62 0.00 -1.78 0.00 0.00 34.13 30.65 1juh s GLU 180 CO 0.38 -1.23 2.08 -0.07 -0.49 0.00 0.00 175.26 175.93 1juh h LEU 181 N 5.91 0.00 -1.15 1.80 3.38 -1.93 -2.73 115.31 120.59 1juh h LEU 181 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1juh h LEU 181 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1juh h LEU 181 CO 0.64 0.02 -0.08 -1.54 0.09 0.00 0.00 178.44 177.57 1juh n SER 182 N -3.14 1.87 -4.69 -0.43 3.41 -1.26 -4.91 113.62 104.48 1juh n SER 182 Ca -0.00 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 1juh n SER 182 Cb 0.25 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1juh n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1juh s PHE 183 N -2.12 3.29 -0.32 7.33 5.36 -1.03 -5.01 117.98 125.48 1juh s PHE 183 Ca 0.32 1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 57.59 1juh s PHE 183 Cb 0.20 -3.37 0.07 0.00 -0.34 0.00 0.00 43.02 39.58 1juh s PHE 183 CO 0.37 -1.07 0.03 0.99 -1.46 0.00 0.00 175.22 174.08 1juh s THR 184 N 2.03 2.86 0.15 0.12 2.01 -1.26 -4.95 115.64 116.59 1juh s THR 184 Ca 0.55 -1.65 -0.34 0.00 0.31 0.00 0.00 61.69 60.56 1juh s THR 184 Cb -0.24 -2.76 -0.13 0.00 0.01 0.00 0.00 72.50 69.38 1juh s THR 184 CO 0.22 -0.26 1.63 -2.65 -0.69 0.00 0.00 174.62 172.87 1juh n PRO 185 N 4.55 2.25 -2.10 4.92 -0.02 -1.26 -4.90 135.00 138.44 1juh n PRO 185 Ca -0.09 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1juh n PRO 185 Cb 0.43 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1juh n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1juh s ARG 186 N 1.24 3.76 -0.23 -0.52 1.70 -1.26 -4.94 118.95 118.70 1juh s ARG 186 Ca 0.79 2.01 0.10 0.00 -0.47 0.00 0.00 55.73 58.17 1juh s ARG 186 Cb -0.65 -2.55 0.44 0.00 -0.57 0.00 0.00 34.95 31.62 1juh s ARG 186 CO 0.38 -0.61 1.21 0.25 -1.08 0.00 0.00 175.30 175.44 1juh n THR 187 N -0.28 2.24 -1.42 4.99 -2.24 -1.26 -4.66 114.28 111.65 1juh n THR 187 Ca 0.06 -3.53 -0.04 0.00 -2.27 0.00 0.00 64.05 58.26 1juh n THR 187 Cb 0.46 -0.50 0.20 0.00 -2.10 0.00 0.00 70.33 68.38 1juh n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1juh n ASP 188 N -0.91 2.59 -4.74 3.42 5.75 -1.26 -5.03 116.55 116.37 1juh n ASP 188 Ca 0.28 -3.73 -0.42 0.00 -0.01 0.00 0.00 54.79 50.91 1juh n ASP 188 Cb 0.81 -0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1juh n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1juh s THR 189 N -3.23 2.51 -0.02 2.12 2.01 -1.26 -4.81 115.64 112.95 1juh s THR 189 Ca 0.45 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1juh s THR 189 Cb 0.41 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1juh s THR 189 CO 0.01 0.06 0.02 -0.69 -0.69 0.00 0.00 174.62 173.33 1juh s VAL 190 N 0.21 0.01 -1.46 3.82 1.01 -0.65 -4.86 120.40 118.48 1juh s VAL 190 Ca 0.62 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 1juh s VAL 190 Cb -0.44 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1juh s VAL 190 CO 0.42 0.11 0.86 0.59 0.00 0.00 0.00 175.10 177.08 1juh n ASN 191 N 4.17 -5.73 -0.12 3.32 3.02 -1.26 -2.37 115.26 116.29 1juh n ASN 191 Ca -0.28 -0.48 -0.02 0.00 -0.03 0.00 0.00 54.58 53.78 1juh n ASN 191 Cb 0.50 -4.58 -0.01 0.00 -0.61 0.00 0.00 39.78 35.08 1juh n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1juh n GLY 192 N -1.69 0.51 3.36 7.41 0.00 -1.26 -4.97 105.19 108.55 1juh n GLY 192 Ca -0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1juh n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1juh s THR 193 N -1.92 0.04 -0.24 2.61 -1.32 -1.00 -0.67 115.64 113.13 1juh s THR 193 Ca 0.00 -0.35 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 1juh s THR 193 Cb 0.00 -1.10 0.10 0.00 -1.51 0.00 0.00 72.50 69.99 1juh s THR 193 CO 0.00 -0.20 0.86 0.00 -2.21 0.00 0.00 174.62 173.08 1juh s ALA 194 N -3.76 -1.87 1.10 11.08 0.00 -0.92 -1.64 121.76 125.75 1juh s ALA 194 Ca 0.02 1.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.69 1juh s ALA 194 Cb 0.01 -1.13 0.24 0.00 0.00 0.00 0.00 23.12 22.24 1juh s ALA 194 CO -0.12 -0.30 1.10 -1.25 0.00 0.00 0.00 175.76 175.19 1juh s PRO 195 N 0.05 -0.41 0.43 0.00 0.04 -1.26 -1.30 135.00 132.56 1juh s PRO 195 Ca 0.00 0.25 0.10 0.00 0.04 0.00 0.00 61.00 61.39 1juh s PRO 195 Cb -0.04 -1.66 0.95 0.00 0.04 0.00 0.00 34.50 33.79 1juh s PRO 195 CO -0.01 -3.23 2.07 0.00 0.04 0.00 0.00 177.00 175.86 1juh h ALA 196 N -2.25 1.76 -0.34 8.56 0.00 -1.93 -3.25 119.26 121.82 1juh h ALA 196 Ca -0.51 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 1juh h ALA 196 Cb 1.32 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1juh h ALA 196 CO 0.47 0.21 1.47 0.27 0.00 0.00 0.00 179.25 181.67 1juh n ASN 197 N -4.47 7.09 -4.34 0.00 6.94 -1.26 -4.85 115.26 114.38 1juh n ASN 197 Ca 0.01 -2.90 -0.17 0.00 -0.02 0.00 0.00 54.58 51.50 1juh n ASN 197 Cb 0.09 -1.38 -0.10 0.00 -2.36 0.00 0.00 39.78 36.03 1juh n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1juh s THR 198 N -0.34 0.97 -0.19 5.53 -4.23 -1.23 -5.14 115.64 111.01 1juh s THR 198 Ca 0.62 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1juh s THR 198 Cb 0.27 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1juh s THR 198 CO -0.10 -0.25 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.88 1juh s VAL 199 N -3.46 2.40 -0.25 2.29 1.01 -1.26 -5.07 120.40 116.06 1juh s VAL 199 Ca 0.30 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1juh s VAL 199 Cb 0.06 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.51 1juh s VAL 199 CO 0.10 0.51 0.22 0.86 0.00 0.00 0.00 175.10 176.78 1juh s TRP 200 N 1.34 -0.17 -0.76 5.22 -0.00 -1.26 -4.83 118.94 118.48 1juh s TRP 200 Ca 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 56.10 55.94 1juh s TRP 200 Cb -0.13 -0.55 0.00 0.00 -0.00 0.00 0.00 33.47 32.79 1juh s TRP 200 CO -0.10 -0.77 0.00 0.72 -0.00 0.00 0.00 176.95 176.80 1juh n HIS 201 N 5.30 0.00 -0.41 5.86 8.25 -1.26 -4.83 115.22 128.12 1juh n HIS 201 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1juh n HIS 201 Cb 0.47 -1.75 0.00 0.00 1.12 0.00 0.00 29.99 29.83 1juh n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1juh n THR 202 N -2.58 0.46 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.15 1juh n THR 202 Ca -0.07 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1juh n THR 202 Cb 0.34 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1juh n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juh n GLY 203 N -0.23 -0.10 3.77 3.38 0.00 -1.26 -5.11 105.19 105.63 1juh n GLY 203 Ca 0.00 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1juh n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juh s ALA 204 N -2.00 2.88 0.04 4.61 0.00 -1.26 -4.77 121.76 121.26 1juh s ALA 204 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1juh s ALA 204 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1juh s ALA 204 CO 0.00 -0.77 -0.18 -0.80 0.00 0.00 0.00 175.76 174.01 1juh s ASN 205 N -1.42 3.78 0.11 0.00 0.02 -0.23 -4.96 114.94 112.24 1juh s ASN 205 Ca 0.67 -0.44 0.09 0.00 -1.02 0.00 0.00 52.86 52.16 1juh s ASN 205 Cb -0.29 -0.60 -0.04 0.00 0.02 0.00 0.00 41.25 40.35 1juh s ASN 205 CO 0.34 0.25 -0.17 0.00 0.02 0.00 0.00 177.10 177.54 1juh s ALA 206 N -0.93 2.70 0.48 0.60 0.00 -1.26 -3.93 121.76 119.42 1juh s ALA 206 Ca 0.15 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1juh s ALA 206 Cb -0.10 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 1juh s ALA 206 CO 0.05 0.60 1.14 -0.51 0.00 0.00 0.00 175.76 177.04 1juh s LEU 207 N -2.10 3.94 0.31 0.00 1.02 -1.26 -4.83 118.68 115.76 1juh s LEU 207 Ca 0.18 2.22 -0.30 0.00 0.02 0.00 0.00 54.13 56.26 1juh s LEU 207 Cb -0.11 -4.35 -0.11 0.00 0.02 0.00 0.00 46.19 41.64 1juh s LEU 207 CO 0.10 -0.96 1.55 0.00 0.02 0.00 0.00 176.35 177.06 1juh s ALA 208 N -1.64 3.69 -0.50 4.21 0.00 -1.26 -4.89 121.76 121.37 1juh s ALA 208 Ca 0.66 1.54 0.24 0.00 0.00 0.00 0.00 51.96 54.39 1juh s ALA 208 Cb -0.26 -3.63 0.25 0.00 0.00 0.00 0.00 23.12 19.49 1juh s ALA 208 CO 0.31 -0.96 1.27 0.66 0.00 0.00 0.00 175.76 177.04 1juh h SER 209 N 4.44 0.00 -3.63 0.00 4.64 -1.97 -3.44 113.55 113.58 1juh h SER 209 Ca -0.48 -0.13 -0.65 0.00 -0.47 0.00 0.00 61.79 60.06 1juh h SER 209 Cb 1.22 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.15 1juh h SER 209 CO 0.76 0.06 -0.16 -0.89 -0.87 0.00 0.00 176.83 175.73 1juh s THR 210 N -3.23 5.09 0.48 2.95 2.01 -1.26 -4.97 115.64 116.70 1juh s THR 210 Ca 0.04 0.20 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 1juh s THR 210 Cb 0.12 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.66 1juh s THR 210 CO 0.74 -0.16 1.38 0.00 -0.69 0.00 0.00 174.62 175.89 1juh s ALA 211 N 2.22 3.10 0.00 7.40 0.00 -1.26 -2.59 121.76 130.62 1juh s ALA 211 Ca 0.15 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1juh s ALA 211 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1juh s ALA 211 CO 0.12 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1juh n GLY 212 N 0.63 1.72 3.84 0.00 0.00 -1.26 -5.05 105.19 105.07 1juh n GLY 212 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1juh n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 213 N -2.59 6.75 0.74 1.61 1.01 -1.07 -4.73 116.67 118.40 1juh s ASP 213 Ca 0.00 0.90 -0.11 0.00 0.71 0.00 0.00 52.55 54.05 1juh s ASP 213 Cb 0.00 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.74 1juh s ASP 213 CO 0.00 0.32 1.09 -2.16 0.21 0.00 0.00 175.17 174.63 1juh s PRO 214 N -1.16 2.59 0.08 8.23 0.04 -1.26 -4.68 135.00 138.83 1juh s PRO 214 Ca 0.24 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 1juh s PRO 214 Cb -0.16 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1juh s PRO 214 CO 0.13 -1.26 0.82 1.52 0.04 0.00 0.00 177.00 178.25 1juh s TYR 215 N -3.22 -0.34 0.03 0.56 1.13 -1.12 -4.89 117.35 109.50 1juh s TYR 215 Ca 0.59 0.14 0.02 0.00 -1.41 0.00 0.00 57.07 56.41 1juh s TYR 215 Cb -0.13 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.29 1juh s TYR 215 CO 0.53 -0.71 -0.07 -0.06 -2.51 0.00 0.00 175.55 172.73 1juh s PHE 216 N -3.35 0.62 -0.12 -3.49 0.40 -1.26 -0.27 117.98 110.50 1juh s PHE 216 Ca 0.06 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1juh s PHE 216 Cb -0.01 -0.38 0.03 0.00 0.51 0.00 0.00 43.02 43.17 1juh s PHE 216 CO -0.07 -0.06 -0.07 0.42 0.70 0.00 0.00 175.22 176.14 1juh s ILE 217 N -1.04 1.04 0.38 0.64 -1.09 -0.35 -4.75 121.20 116.03 1juh s ILE 217 Ca -0.07 -0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 1juh s ILE 217 Cb -0.08 -1.10 -0.10 0.00 -1.58 0.00 0.00 42.46 39.60 1juh s ILE 217 CO 0.00 0.32 0.93 0.00 -1.23 0.00 0.00 174.94 174.96 1juh s ALA 218 N 1.69 3.13 -0.35 9.38 0.00 -1.26 -1.08 121.76 133.27 1juh s ALA 218 Ca 0.04 0.42 -0.40 0.00 0.00 0.00 0.00 51.96 52.02 1juh s ALA 218 Cb -0.13 -3.13 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 1juh s ALA 218 CO -0.08 0.16 1.89 -1.71 0.00 0.00 0.00 175.76 176.02 1juh n ASN 219 N -0.16 2.01 0.00 0.00 5.15 -1.25 -1.07 115.26 119.94 1juh n ASN 219 Ca 0.05 0.88 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 1juh n ASN 219 Cb 0.52 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 1juh n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1juh n GLY 220 N 5.19 1.36 0.58 8.20 0.00 -1.26 -4.91 105.19 114.35 1juh n GLY 220 Ca 0.34 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1juh n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1juh n TRP 221 N -2.00 0.00 -2.52 1.61 7.02 -0.23 -4.86 117.44 116.47 1juh n TRP 221 Ca 0.00 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.25 1juh n TRP 221 Cb 0.00 -0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.01 1juh n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1juh n GLY 222 N 1.40 0.41 3.76 6.99 0.00 -1.26 -1.06 105.19 115.43 1juh n GLY 222 Ca 0.10 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 1juh n GLY 222 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1juh s PRO 223 N -5.11 3.76 0.09 1.61 0.04 -1.25 -4.89 135.00 129.24 1juh s PRO 223 Ca 0.65 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.80 1juh s PRO 223 Cb -0.03 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1juh s PRO 223 CO 0.44 -0.63 -0.12 0.15 0.04 0.00 0.00 177.00 176.87 1juh s LYS 224 N -2.48 0.84 -0.02 4.56 1.02 -1.25 -3.75 119.74 118.64 1juh s LYS 224 Ca 0.61 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1juh s LYS 224 Cb -0.36 -0.67 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1juh s LYS 224 CO 0.45 0.13 -0.03 0.71 -0.92 0.00 0.00 175.35 175.68 1juh s TYR 225 N -1.88 0.49 -0.24 3.18 1.51 -0.16 -1.27 117.35 118.99 1juh s TYR 225 Ca 0.02 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1juh s TYR 225 Cb -0.06 -0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 41.30 1juh s TYR 225 CO 0.01 -0.10 0.16 -1.17 -1.11 0.00 0.00 175.55 173.34 1juh s LEU 226 N 0.55 4.07 -0.15 -1.29 2.96 0.54 -0.75 118.68 124.61 1juh s LEU 226 Ca -0.06 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1juh s LEU 226 Cb -0.10 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1juh s LEU 226 CO -0.01 0.05 -0.05 0.21 -1.32 0.00 0.00 176.35 175.23 1juh s ASN 227 N 1.15 4.63 -0.15 3.68 3.84 0.52 -1.35 114.94 127.26 1juh s ASN 227 Ca 0.07 -0.18 0.18 0.00 0.21 0.00 0.00 52.86 53.14 1juh s ASN 227 Cb -0.14 -1.75 0.36 0.00 -0.55 0.00 0.00 41.25 39.17 1juh s ASN 227 CO 0.05 0.16 1.22 -1.54 -2.79 0.00 0.00 177.10 174.20 1juh n SER 228 N 3.58 2.63 0.09 -4.21 3.41 -1.26 -1.25 113.62 116.61 1juh n SER 228 Ca -0.18 -3.15 -0.08 0.00 -0.26 0.00 0.00 58.87 55.21 1juh n SER 228 Cb 0.52 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1juh n SER 228 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1juh h GLN 229 N 0.47 0.18 -0.85 4.33 4.20 -1.94 -3.37 115.11 118.13 1juh h GLN 229 Ca 0.01 -0.19 -0.36 0.00 0.06 0.00 0.00 58.65 58.17 1juh h GLN 229 Cb 1.11 0.05 -0.40 0.00 0.30 0.00 0.00 27.48 28.54 1juh h GLN 229 CO 0.06 0.92 -1.10 0.66 -0.67 0.00 0.00 178.83 178.69 1juh n TYR 230 N -3.68 1.52 0.00 2.96 4.01 -1.26 -5.01 117.16 115.70 1juh n TYR 230 Ca -0.03 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.13 1juh n TYR 230 Cb 0.78 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1juh n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1juh n GLY 231 N -0.32 -1.14 3.70 2.72 0.00 -1.26 -4.79 105.19 104.10 1juh n GLY 231 Ca 0.14 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1juh n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1juh s TYR 232 N -0.06 3.36 -0.03 1.61 2.02 -1.26 -4.05 117.35 118.93 1juh s TYR 232 Ca 0.00 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1juh s TYR 232 Cb 0.00 -2.12 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1juh s TYR 232 CO 0.00 0.26 -0.01 -0.65 -1.57 0.00 0.00 175.55 173.58 1juh s GLN 233 N 0.31 0.37 -0.22 -0.62 -0.21 -0.38 -1.20 119.66 117.71 1juh s GLN 233 Ca 0.06 0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.46 1juh s GLN 233 Cb -0.11 -0.52 -0.00 0.00 1.00 0.00 0.00 33.01 33.37 1juh s GLN 233 CO -0.01 -0.13 -0.06 0.42 -2.12 0.00 0.00 175.29 173.40 1juh s ILE 234 N 1.00 3.23 -0.21 1.08 1.01 0.18 -0.36 121.20 127.13 1juh s ILE 234 Ca -0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1juh s ILE 234 Cb -0.14 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1juh s ILE 234 CO -0.01 0.42 0.13 -0.69 0.00 0.00 0.00 174.94 174.79 1juh s VAL 235 N 1.45 5.38 -0.46 2.92 1.01 0.07 -1.06 120.40 129.71 1juh s VAL 235 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1juh s VAL 235 Cb -0.14 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 32.90 1juh s VAL 235 CO -0.04 0.42 0.23 0.00 0.00 0.00 0.00 175.10 175.71 1juh s ALA 236 N 0.48 3.22 0.45 5.51 0.00 -0.62 -0.98 121.76 129.82 1juh s ALA 236 Ca 0.08 -2.86 -0.25 0.00 0.00 0.00 0.00 51.96 48.92 1juh s ALA 236 Cb -0.11 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.63 1juh s ALA 236 CO -0.01 -1.89 1.37 -2.14 0.00 0.00 0.00 175.76 173.09 1juh s PRO 237 N 0.49 3.70 -0.03 0.00 0.02 -1.25 -1.93 135.00 136.00 1juh s PRO 237 Ca 0.13 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1juh s PRO 237 Cb -0.22 -2.62 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 1juh s PRO 237 CO -0.04 -0.76 -0.03 1.19 -0.33 0.00 0.00 177.00 177.03 1juh n PHE 238 N -0.23 0.00 -4.02 6.54 3.72 0.89 -4.78 117.46 119.59 1juh n PHE 238 Ca 0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 1juh n PHE 238 Cb 0.43 -0.12 -0.16 0.00 -0.94 0.00 0.00 39.48 38.69 1juh n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1juh s VAL 239 N -2.06 0.29 0.42 -4.37 1.01 -0.49 -4.95 120.40 110.25 1juh s VAL 239 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1juh s VAL 239 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1juh s VAL 239 CO 0.07 0.15 0.09 0.35 0.00 0.00 0.00 175.10 175.77 1juh n THR 240 N 3.91 0.00 -0.24 3.92 -2.24 -1.26 -2.06 114.28 116.30 1juh n THR 240 Ca -0.24 -2.27 0.13 0.00 -2.27 0.00 0.00 64.05 59.40 1juh n THR 240 Cb 0.52 0.70 0.42 0.00 -2.10 0.00 0.00 70.33 69.86 1juh n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1juh h ALA 241 N 1.51 1.92 -0.72 6.98 0.00 -1.88 -0.48 119.26 126.59 1juh h ALA 241 Ca -0.33 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1juh h ALA 241 Cb 1.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1juh h ALA 241 CO 0.54 -0.16 0.36 1.15 0.00 0.00 0.00 179.25 181.14 1juh h THR 242 N 0.61 0.86 0.07 0.00 2.02 -1.96 0.22 112.91 114.73 1juh h THR 242 Ca 0.43 -0.21 -0.31 0.00 0.77 0.00 0.00 66.41 67.09 1juh h THR 242 Cb 0.78 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1juh h THR 242 CO -0.18 0.11 -1.71 1.56 0.37 0.00 0.00 175.52 175.67 1juh h GLN 243 N 0.62 0.14 -0.19 6.66 7.50 -1.62 -3.38 115.11 124.83 1juh h GLN 243 Ca 0.35 -0.24 -0.17 0.00 0.50 0.00 0.00 58.65 59.09 1juh h GLN 243 Cb 0.36 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1juh h GLN 243 CO -0.26 0.89 -0.56 0.00 -1.50 0.00 0.00 178.83 177.39 1juh h ALA 244 N 0.60 0.65 -0.57 3.87 0.00 -0.95 -3.42 119.26 119.43 1juh h ALA 244 Ca -0.30 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1juh h ALA 244 Cb 2.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1juh h ALA 244 CO 0.11 0.69 0.00 1.04 0.00 0.00 0.00 179.25 181.09 1juh n GLN 245 N -3.96 0.00 0.00 0.00 1.13 0.05 -1.40 117.38 113.21 1juh n GLN 245 Ca -0.03 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.10 1juh n GLN 245 Cb 0.62 0.00 0.36 0.00 0.11 0.00 0.00 30.24 31.33 1juh n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1juh n ASP 246 N 2.57 0.00 0.18 1.08 5.75 -1.26 -2.06 116.55 122.81 1juh n ASP 246 Ca 0.00 0.19 0.14 0.00 -0.01 0.00 0.00 54.79 55.11 1juh n ASP 246 Cb 0.00 -0.35 0.57 0.00 -1.03 0.00 0.00 41.12 40.32 1juh n ASP 246 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1juh h THR 247 N 0.00 0.00 -6.05 2.12 1.35 -1.61 -3.47 112.91 105.25 1juh h THR 247 Ca 0.00 -0.29 -0.26 0.00 -0.55 0.00 0.00 66.41 65.31 1juh h THR 247 Cb 0.18 1.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.70 1juh h THR 247 CO 0.00 0.00 -0.58 -3.20 -0.25 0.00 0.00 175.52 171.49 1juh n ASN 248 N -2.50 -6.26 -3.73 5.36 5.15 -0.87 -4.88 115.26 107.52 1juh n ASN 248 Ca 0.01 -0.57 -0.07 0.00 -0.60 0.00 0.00 54.58 53.35 1juh n ASN 248 Cb 0.24 -3.57 -0.01 0.00 -0.53 0.00 0.00 39.78 35.90 1juh n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1juh s TYR 249 N -3.06 -0.13 0.06 1.20 1.13 -1.19 -0.64 117.35 114.73 1juh s TYR 249 Ca 0.07 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.40 1juh s TYR 249 Cb -0.02 0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 1juh s TYR 249 CO 0.82 -1.28 -0.09 0.95 -2.51 0.00 0.00 175.55 173.45 1juh s THR 250 N -3.69 0.70 -0.05 -3.49 -4.23 -0.19 -4.50 115.64 100.20 1juh s THR 250 Ca 0.12 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1juh s THR 250 Cb -0.06 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.90 1juh s THR 250 CO 0.08 -0.43 0.13 -0.22 -0.54 0.00 0.00 174.62 173.63 1juh s LEU 251 N -1.87 1.52 0.08 4.79 2.96 -0.88 -1.32 118.68 123.96 1juh s LEU 251 Ca -0.04 0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 53.84 1juh s LEU 251 Cb -0.07 0.44 0.09 0.00 0.50 0.00 0.00 46.19 47.15 1juh s LEU 251 CO 0.00 -0.06 1.16 -0.94 -1.32 0.00 0.00 176.35 175.20 1juh s SER 252 N -0.01 0.00 0.11 3.68 1.04 -0.53 -0.08 113.70 117.92 1juh s SER 252 Ca -0.01 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.07 1juh s SER 252 Cb -0.01 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1juh s SER 252 CO 0.00 -0.64 -0.10 0.42 0.98 0.00 0.00 173.24 173.91 1juh s THR 253 N -2.12 3.35 -0.15 2.02 -4.23 -0.81 0.07 115.64 113.77 1juh s THR 253 Ca 0.25 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1juh s THR 253 Cb -0.01 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.28 1juh s THR 253 CO 0.02 0.09 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.45 1juh s ILE 254 N -1.25 1.41 -0.10 2.99 1.01 -0.06 -1.59 121.20 123.61 1juh s ILE 254 Ca 0.22 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1juh s ILE 254 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1juh s ILE 254 CO 0.14 0.36 0.17 -0.44 0.00 0.00 0.00 174.94 175.17 1juh s SER 255 N 1.54 6.44 0.03 3.58 0.01 -0.22 -1.39 113.70 123.69 1juh s SER 255 Ca 0.04 0.52 0.04 0.00 1.31 0.00 0.00 55.95 57.85 1juh s SER 255 Cb -0.13 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1juh s SER 255 CO -0.09 0.39 -0.12 -0.04 0.41 0.00 0.00 173.24 173.79 1juh s MET 256 N -1.10 0.78 0.60 12.44 1.00 0.74 -0.65 119.30 133.11 1juh s MET 256 Ca 0.17 -0.68 0.06 0.00 0.00 0.00 0.00 55.69 55.24 1juh s MET 256 Cb -0.13 -0.74 0.09 0.00 0.00 0.00 0.00 34.83 34.06 1juh s MET 256 CO 0.06 0.18 0.83 -1.54 0.00 0.00 0.00 175.02 174.54 1juh s SER 257 N -1.10 4.95 0.93 3.03 1.04 -0.34 -1.76 113.70 120.46 1juh s SER 257 Ca -0.01 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.64 1juh s SER 257 Cb -0.08 0.10 0.15 0.00 0.10 0.00 0.00 66.02 66.29 1juh s SER 257 CO 0.01 -1.43 1.12 0.42 0.98 0.00 0.00 173.24 174.34 1juh s THR 258 N -2.77 2.08 -0.23 2.02 -4.23 -1.25 -4.32 115.64 106.94 1juh s THR 258 Ca 0.62 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.99 1juh s THR 258 Cb -0.06 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1juh s THR 258 CO 0.40 -0.03 0.48 -0.89 -0.54 0.00 0.00 174.62 174.03 1juh s THR 259 N -3.17 5.12 0.55 3.99 2.01 -1.26 -4.55 115.64 118.33 1juh s THR 259 Ca 0.64 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 63.28 1juh s THR 259 Cb -0.16 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1juh s THR 259 CO 0.55 0.16 1.04 -2.65 -0.69 0.00 0.00 174.62 173.03 1juh n PRO 260 N 5.01 1.15 0.32 4.92 -0.02 -1.26 -4.84 135.00 140.28 1juh n PRO 260 Ca -0.06 0.43 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 1juh n PRO 260 Cb 0.50 -2.20 1.11 0.00 -0.02 0.00 0.00 33.50 32.89 1juh n PRO 260 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1juh h SER 261 N 0.92 0.00 -0.12 2.55 4.64 -2.03 -0.65 113.55 118.86 1juh h SER 261 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1juh h SER 261 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1juh h SER 261 CO 0.53 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.85 1juh n THR 262 N -3.29 0.14 -4.74 2.95 -2.24 -1.26 -4.87 114.28 100.97 1juh n THR 262 Ca -0.03 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1juh n THR 262 Cb 0.09 0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1juh n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1juh s VAL 263 N -1.86 3.35 -0.18 2.28 1.01 -0.25 -5.10 120.40 119.65 1juh s VAL 263 Ca 0.35 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 1juh s VAL 263 Cb 0.19 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1juh s VAL 263 CO 0.29 0.57 0.57 -0.89 0.00 0.00 0.00 175.10 175.64 1juh s THR 264 N -0.46 5.08 0.05 3.92 2.01 -1.26 -4.79 115.64 120.19 1juh s THR 264 Ca 0.06 1.07 -0.31 0.00 0.31 0.00 0.00 61.69 62.83 1juh s THR 264 Cb -0.12 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1juh s THR 264 CO 0.02 0.18 1.94 0.52 -0.69 0.00 0.00 174.62 176.59 1juh n VAL 265 N 4.42 0.66 -1.70 3.82 0.31 -1.26 -4.93 118.33 119.65 1juh n VAL 265 Ca -0.04 -0.12 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 1juh n VAL 265 Cb 0.50 -2.23 0.05 0.00 -0.91 0.00 0.00 33.84 31.25 1juh n VAL 265 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1juh s PRO 266 N 4.03 2.88 -0.18 5.55 0.04 -1.26 -5.02 135.00 141.04 1juh s PRO 266 Ca 0.88 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 1juh s PRO 266 Cb -0.47 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1juh s PRO 266 CO 0.42 -1.16 0.02 0.99 0.04 0.00 0.00 177.00 177.31 1juh s THR 267 N -2.66 4.38 0.25 1.26 2.01 -1.26 -4.51 115.64 115.11 1juh s THR 267 Ca 0.63 -0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1juh s THR 267 Cb -0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1juh s THR 267 CO 0.46 0.46 -0.03 0.26 -0.69 0.00 0.00 174.62 175.09 1juh s TRP 268 N 0.46 2.66 -0.29 4.92 0.52 0.45 -4.93 118.94 122.73 1juh s TRP 268 Ca 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 56.10 55.76 1juh s TRP 268 Cb -0.13 -1.19 0.11 0.00 -1.15 0.00 0.00 33.47 31.11 1juh s TRP 268 CO 0.02 0.61 0.71 0.45 0.02 0.00 0.00 176.95 178.76 1juh s SER 269 N -3.54 -0.98 0.14 2.95 0.15 -1.26 -1.03 113.70 110.12 1juh s SER 269 Ca 0.30 1.44 0.06 0.00 0.70 0.00 0.00 55.95 58.46 1juh s SER 269 Cb -0.07 1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 66.03 1juh s SER 269 CO 0.19 -0.21 -0.13 -0.36 1.20 0.00 0.00 173.24 173.92 1juh s PHE 270 N 2.26 1.41 0.19 3.44 0.40 -1.26 -4.96 117.98 119.46 1juh s PHE 270 Ca -0.08 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 1juh s PHE 270 Cb -0.08 -0.72 0.13 0.00 0.51 0.00 0.00 43.02 42.86 1juh s PHE 270 CO -0.19 0.16 1.84 -1.35 0.70 0.00 0.00 175.22 176.38 1juh h PRO 271 N 3.23 0.74 -6.25 0.24 0.11 -1.93 0.68 132.00 128.81 1juh h PRO 271 Ca -0.39 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 1juh h PRO 271 Cb 1.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1juh h PRO 271 CO 0.55 0.49 -0.31 0.20 -0.21 0.00 0.00 178.00 178.71 1juh s GLY 272 N -2.81 1.79 0.77 -0.55 0.00 -1.25 -3.85 107.32 101.42 1juh s GLY 272 Ca -0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1juh s GLY 272 CO 0.75 -0.76 1.16 0.00 0.00 0.00 0.00 173.10 174.26 1juh s ALA 273 N -1.90 2.04 0.18 3.20 0.00 -1.26 -4.12 121.76 119.90 1juh s ALA 273 Ca 0.39 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1juh s ALA 273 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1juh s ALA 273 CO 0.29 -1.98 0.37 0.00 0.00 0.00 0.00 175.76 174.45 1juh s ALA 275 N -3.94 -1.42 0.01 0.00 0.00 -0.11 -0.75 121.76 115.55 1juh s ALA 275 Ca 0.15 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 1juh s ALA 275 Cb 0.02 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1juh s ALA 275 CO -0.00 -0.72 0.18 -0.59 0.00 0.00 0.00 175.76 174.62 1juh s PHE 276 N -3.69 0.02 -0.15 0.00 -0.12 -0.59 -1.40 117.98 112.05 1juh s PHE 276 Ca 0.01 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.77 1juh s PHE 276 Cb -0.00 -0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.37 1juh s PHE 276 CO -0.12 -0.34 -0.19 -1.14 -0.05 0.00 0.00 175.22 173.37 1juh s GLN 277 N -1.75 3.09 0.19 1.99 0.74 -0.37 -0.98 119.66 122.58 1juh s GLN 277 Ca -0.12 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 1juh s GLN 277 Cb -0.05 -2.52 -0.09 0.00 1.10 0.00 0.00 33.01 31.45 1juh s GLN 277 CO 0.00 -0.03 1.36 0.08 -0.55 0.00 0.00 175.29 176.16 1juh s VAL 278 N 0.87 3.07 -0.26 1.34 1.01 -0.60 -0.79 120.40 125.05 1juh s VAL 278 Ca -0.05 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 1juh s VAL 278 Cb -0.15 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 1juh s VAL 278 CO -0.02 0.12 -0.31 0.00 0.00 0.00 0.00 175.10 174.88 1juh n GLN 279 N 2.85 0.56 -4.01 2.72 1.13 0.75 -0.38 117.38 121.01 1juh n GLN 279 Ca 0.08 0.22 -0.14 0.00 -1.94 0.00 0.00 57.00 55.22 1juh n GLN 279 Cb 0.42 -1.44 -0.14 0.00 0.11 0.00 0.00 30.24 29.19 1juh n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1juh s GLU 280 N -2.48 0.21 0.00 -1.09 2.12 -0.77 -4.64 118.70 112.04 1juh s GLU 280 Ca -0.36 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1juh s GLU 280 Cb 0.13 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1juh s GLU 280 CO 0.48 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1juh n GLY 281 N 2.97 -1.40 2.76 -1.50 0.00 -1.26 -0.84 105.19 105.92 1juh n GLY 281 Ca -0.13 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 1juh n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juh s ARG 282 N 0.00 0.05 -0.08 1.61 0.52 -1.26 -4.18 118.95 115.60 1juh s ARG 282 Ca 0.00 0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1juh s ARG 282 Cb 0.00 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.73 1juh s ARG 282 CO 0.00 -0.44 -0.18 0.08 0.02 0.00 0.00 175.30 174.78 1juh s VAL 283 N 2.26 1.62 -0.15 3.52 1.01 -0.72 -0.62 120.40 127.32 1juh s VAL 283 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1juh s VAL 283 Cb -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1juh s VAL 283 CO -0.07 0.46 0.28 -0.69 0.00 0.00 0.00 175.10 175.08 1juh s VAL 284 N 0.50 5.30 0.04 2.92 1.01 0.13 0.05 120.40 130.35 1juh s VAL 284 Ca -0.17 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1juh s VAL 284 Cb -0.17 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1juh s VAL 284 CO 0.06 0.43 -0.22 0.54 0.00 0.00 0.00 175.10 175.91 1juh s VAL 285 N 0.21 1.78 -0.10 2.92 0.11 -0.10 -1.75 120.40 123.47 1juh s VAL 285 Ca 0.17 -1.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.00 1juh s VAL 285 Cb -0.13 -1.53 0.03 0.00 -1.53 0.00 0.00 36.38 33.22 1juh s VAL 285 CO 0.04 0.28 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.49 1juh s GLN 286 N -1.10 0.99 -0.09 1.54 0.74 0.04 -1.40 119.66 120.39 1juh s GLN 286 Ca 0.09 -0.10 0.03 0.00 0.05 0.00 0.00 55.36 55.43 1juh s GLN 286 Cb -0.09 -1.34 0.01 0.00 1.10 0.00 0.00 33.01 32.69 1juh s GLN 286 CO 0.01 -0.32 -0.18 0.42 -0.55 0.00 0.00 175.29 174.68 1juh s ILE 287 N 1.85 1.59 0.00 -2.34 1.01 -1.26 -0.53 121.20 121.52 1juh s ILE 287 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1juh s ILE 287 Cb -0.13 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1juh s ILE 287 CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1juh n GLY 288 N 3.80 2.86 1.45 6.18 0.00 0.30 -1.81 105.19 117.98 1juh n GLY 288 Ca -0.20 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1juh n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1juh n ASP 289 N 2.15 4.27 -4.89 1.61 8.00 -1.26 -4.96 116.55 121.47 1juh n ASP 289 Ca 0.00 -2.31 -0.29 0.00 0.71 0.00 0.00 54.79 52.90 1juh n ASP 289 Cb 0.00 -0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1juh n ASP 289 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1juh s TYR 290 N -1.64 3.58 0.44 1.24 1.51 -0.75 -5.03 117.35 116.69 1juh s TYR 290 Ca 0.47 1.02 -0.24 0.00 -1.01 0.00 0.00 57.07 57.31 1juh s TYR 290 Cb 0.29 -2.48 -0.08 0.00 -0.11 0.00 0.00 41.96 39.58 1juh s TYR 290 CO 0.25 -0.41 1.24 0.00 -1.11 0.00 0.00 175.55 175.52 1juh s ALA 291 N -2.86 3.09 0.53 3.71 0.00 -1.26 -4.47 121.76 120.49 1juh s ALA 291 Ca 0.51 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 1juh s ALA 291 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1juh s ALA 291 CO 0.46 -0.79 1.24 0.00 0.00 0.00 0.00 175.76 176.68 1juh s ALA 292 N -1.39 2.80 0.01 0.00 0.00 -1.26 -4.80 121.76 117.12 1juh s ALA 292 Ca 0.61 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1juh s ALA 292 Cb -0.34 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1juh s ALA 292 CO 0.42 -1.03 -0.07 0.99 0.00 0.00 0.00 175.76 176.07 1juh s THR 293 N -1.49 0.53 -0.25 0.00 2.01 -0.49 -4.98 115.64 110.98 1juh s THR 293 Ca 0.70 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 1juh s THR 293 Cb -0.33 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1juh s THR 293 CO 0.38 -0.00 0.17 -0.70 -0.69 0.00 0.00 174.62 173.78 1juh s GLU 294 N -0.56 4.05 0.01 4.92 2.12 -1.26 -0.93 118.70 127.05 1juh s GLU 294 Ca -0.01 -0.26 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 1juh s GLU 294 Cb -0.05 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1juh s GLU 294 CO 0.00 0.01 0.26 -0.51 -0.54 0.00 0.00 175.26 174.48 1juh s LEU 295 N 1.19 4.37 0.00 2.70 1.02 0.11 -4.93 118.68 123.14 1juh s LEU 295 Ca 0.08 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.75 1juh s LEU 295 Cb -0.14 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.40 1juh s LEU 295 CO 0.06 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.29 1juh n GLY 296 N 1.07 5.20 3.69 -3.19 0.00 -1.26 -1.75 105.19 108.95 1juh n GLY 296 Ca -0.11 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 1juh n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juh n SER 297 N -0.75 3.53 0.00 1.61 3.41 -1.26 -1.82 113.62 118.34 1juh n SER 297 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1juh n SER 297 Cb 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1juh n SER 297 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juh n GLY 298 N 3.58 2.69 3.77 5.00 0.00 0.49 -4.57 105.19 116.15 1juh n GLY 298 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1juh n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 299 N -3.84 6.26 -0.05 1.61 1.01 -0.76 -3.82 116.67 117.09 1juh s ASP 299 Ca 0.00 2.33 0.06 0.00 0.71 0.00 0.00 52.55 55.65 1juh s ASP 299 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1juh s ASP 299 CO 0.00 -0.86 -0.23 -0.69 0.21 0.00 0.00 175.17 173.61 1juh s VAL 300 N -1.50 1.85 -0.08 -1.27 1.01 -0.23 -1.56 120.40 118.62 1juh s VAL 300 Ca 0.62 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1juh s VAL 300 Cb -0.29 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1juh s VAL 300 CO 0.36 0.52 -0.15 0.00 0.00 0.00 0.00 175.10 175.83 1juh s ALA 301 N -0.17 2.57 -0.12 5.51 0.00 -0.15 -0.81 121.76 128.59 1juh s ALA 301 Ca -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1juh s ALA 301 Cb -0.12 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1juh s ALA 301 CO 0.03 0.42 -0.22 0.12 0.00 0.00 0.00 175.76 176.11 1juh s PHE 302 N -0.25 2.56 -0.25 0.00 5.36 0.09 -1.54 117.98 123.94 1juh s PHE 302 Ca 0.01 -1.19 0.02 0.00 -0.96 0.00 0.00 56.93 54.80 1juh s PHE 302 Cb -0.13 -1.73 0.05 0.00 -0.34 0.00 0.00 43.02 40.87 1juh s PHE 302 CO 0.03 -0.53 -0.10 0.42 -1.46 0.00 0.00 175.22 173.58 1juh s ILE 303 N 0.65 2.34 0.64 3.12 1.09 0.07 -2.55 121.20 126.57 1juh s ILE 303 Ca -0.11 -1.43 -0.18 0.00 -1.10 0.00 0.00 60.65 57.82 1juh s ILE 303 Cb -0.16 -2.30 -0.02 0.00 -1.06 0.00 0.00 42.46 38.92 1juh s ILE 303 CO 0.02 0.07 1.23 -2.65 -0.10 0.00 0.00 174.94 173.51 1juh n PRO 304 N 4.51 1.08 -1.75 2.79 -0.02 -1.26 -1.61 135.00 138.74 1juh n PRO 304 Ca -0.15 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 1juh n PRO 304 Cb 0.44 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1juh n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1juh n GLY 305 N 1.00 0.88 3.12 -1.23 0.00 -1.26 -2.03 105.19 105.67 1juh n GLY 305 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1juh n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juh n GLY 306 N 0.68 1.59 3.79 -0.02 0.00 0.24 -4.88 105.19 106.58 1juh n GLY 306 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1juh n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juh s VAL 307 N -3.41 5.29 0.34 1.61 1.01 -0.86 -4.88 120.40 119.50 1juh s VAL 307 Ca 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1juh s VAL 307 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1juh s VAL 307 CO 0.00 0.49 1.07 -1.61 0.00 0.00 0.00 175.10 175.05 1juh s GLU 308 N -0.23 4.39 0.10 2.72 2.02 -1.26 -4.54 118.70 121.90 1juh s GLU 308 Ca 0.17 1.65 -0.13 0.00 0.02 0.00 0.00 54.97 56.68 1juh s GLU 308 Cb -0.14 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1juh s GLU 308 CO 0.06 0.03 0.31 -0.59 0.02 0.00 0.00 175.26 175.09 1juh s PHE 309 N -1.42 -0.07 0.03 1.61 -0.71 -0.19 -0.54 117.98 116.69 1juh s PHE 309 Ca 0.51 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 56.15 1juh s PHE 309 Cb -0.27 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1juh s PHE 309 CO 0.34 -0.62 -0.05 0.15 -1.34 0.00 0.00 175.22 173.69 1juh s LYS 310 N -3.66 0.41 0.02 1.99 1.02 0.31 -0.41 119.74 119.42 1juh s LYS 310 Ca 0.03 -0.58 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1juh s LYS 310 Cb 0.03 -0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1juh s LYS 310 CO -0.11 0.03 0.31 1.52 -0.92 0.00 0.00 175.35 176.18 1juh s TYR 311 N -1.12 -0.14 0.05 3.18 -0.85 -1.26 -0.78 117.35 116.43 1juh s TYR 311 Ca -0.09 0.10 -0.24 0.00 -0.52 0.00 0.00 57.07 56.32 1juh s TYR 311 Cb -0.08 0.10 0.06 0.00 0.38 0.00 0.00 41.96 42.42 1juh s TYR 311 CO -0.00 -0.46 0.56 1.52 -1.52 0.00 0.00 175.55 175.66 1juh s TYR 312 N -2.03 -0.49 -0.14 -3.49 -0.85 -0.72 -4.88 117.35 104.76 1juh s TYR 312 Ca -0.09 0.57 -0.19 0.00 -0.52 0.00 0.00 57.07 56.85 1juh s TYR 312 Cb -0.03 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1juh s TYR 312 CO -0.00 -0.67 0.54 0.45 -1.52 0.00 0.00 175.55 174.35 1juh s SER 313 N -1.95 6.69 -0.03 -0.18 0.15 -1.26 -0.70 113.70 116.43 1juh s SER 313 Ca -0.05 0.83 0.06 0.00 0.70 0.00 0.00 55.95 57.49 1juh s SER 313 Cb -0.01 -2.31 -0.24 0.00 -1.71 0.00 0.00 66.02 61.75 1juh s SER 313 CO -0.01 -0.10 0.73 -0.08 1.20 0.00 0.00 173.24 174.98 1juh h GLU 314 N 7.03 0.08 -7.20 5.44 4.57 -1.23 -3.40 114.58 119.87 1juh h GLU 314 Ca -0.38 -0.14 -0.49 0.00 -1.18 0.00 0.00 59.36 57.18 1juh h GLU 314 Cb 1.17 0.05 0.05 0.00 -0.16 0.00 0.00 28.75 29.86 1juh h GLU 314 CO 0.75 0.77 0.38 0.00 -1.18 0.00 0.00 179.01 179.73 1juh s ALA 315 N -2.61 2.86 0.43 2.92 0.00 -1.05 -4.93 121.76 119.39 1juh s ALA 315 Ca -0.07 0.30 0.34 0.00 0.00 0.00 0.00 51.96 52.53 1juh s ALA 315 Cb 0.08 -3.19 1.74 0.00 0.00 0.00 0.00 23.12 21.75 1juh s ALA 315 CO 0.82 -0.61 2.15 1.88 0.00 0.00 0.00 175.76 180.00 1juh h TYR 316 N 0.57 0.00 -2.67 0.00 0.05 -1.91 -3.39 116.97 109.63 1juh h TYR 316 Ca -0.47 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.19 1juh h TYR 316 Cb 1.21 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.68 1juh h TYR 316 CO 0.61 0.05 -0.32 0.12 -1.05 0.00 0.00 178.16 177.57 1juh s PHE 317 N -4.11 -0.60 0.07 4.88 2.19 -1.26 -3.96 117.98 115.20 1juh s PHE 317 Ca -0.03 1.27 0.03 0.00 0.33 0.00 0.00 56.93 58.53 1juh s PHE 317 Cb 0.12 0.25 -0.03 0.00 -1.31 0.00 0.00 43.02 42.05 1juh s PHE 317 CO 0.53 -0.35 -0.09 -1.12 1.83 0.00 0.00 175.22 176.02 1juh s SER 318 N 1.54 1.19 -0.03 6.13 0.01 -0.72 -4.39 113.70 117.43 1juh s SER 318 Ca -0.09 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1juh s SER 318 Cb -0.09 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1juh s SER 318 CO -0.12 -0.26 0.01 -0.75 0.41 0.00 0.00 173.24 172.53 1juh s LYS 319 N -2.45 0.18 0.15 12.44 2.20 -0.02 -0.19 119.74 132.05 1juh s LYS 319 Ca 0.00 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.81 1juh s LYS 319 Cb -0.05 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.82 1juh s LYS 319 CO -0.01 -0.16 -0.17 0.14 -0.36 0.00 0.00 175.35 174.80 1juh s VAL 320 N 1.09 1.65 -0.17 4.02 -7.23 -0.48 -0.17 120.40 119.11 1juh s VAL 320 Ca -0.09 -1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 58.06 1juh s VAL 320 Cb -0.13 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1juh s VAL 320 CO -0.02 -0.36 0.38 -0.22 -0.31 0.00 0.00 175.10 174.57 1juh s LEU 321 N -2.63 4.21 -0.06 1.32 2.96 0.03 -0.88 118.68 123.64 1juh s LEU 321 Ca 0.14 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1juh s LEU 321 Cb -0.05 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 1juh s LEU 321 CO 0.05 -0.01 -0.21 0.12 -1.32 0.00 0.00 176.35 174.99 1juh s PHE 322 N 0.92 2.09 -0.01 5.38 5.36 0.11 -1.23 117.98 130.60 1juh s PHE 322 Ca 0.20 -0.66 0.04 0.00 -0.96 0.00 0.00 56.93 55.54 1juh s PHE 322 Cb -0.14 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 1juh s PHE 322 CO 0.07 -0.23 -0.12 0.54 -1.46 0.00 0.00 175.22 174.02 1juh s VAL 323 N 0.04 0.98 -0.03 3.12 0.11 -0.49 -1.45 120.40 122.67 1juh s VAL 323 Ca -0.06 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1juh s VAL 323 Cb -0.14 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1juh s VAL 323 CO 0.04 0.28 0.08 -0.55 -3.33 0.00 0.00 175.10 171.61 1juh s SER 324 N -0.23 -0.07 -0.02 3.54 0.15 -0.44 -0.93 113.70 115.70 1juh s SER 324 Ca 0.04 0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.59 1juh s SER 324 Cb -0.05 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1juh s SER 324 CO -0.00 -0.04 0.78 -0.55 1.20 0.00 0.00 173.24 174.62 1juh s SER 325 N 0.22 7.13 0.00 5.45 0.15 -0.06 -1.02 113.70 125.58 1juh s SER 325 Ca -0.02 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1juh s SER 325 Cb -0.02 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1juh s SER 325 CO -0.01 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1juh n GLY 326 N 2.86 1.50 0.00 9.45 0.00 0.19 -3.81 105.19 115.39 1juh n GLY 326 Ca -0.00 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.94 1juh n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juh n SER 327 N 0.00 0.71 -2.59 1.61 3.41 -1.26 -3.15 113.62 112.35 1juh n SER 327 Ca 0.00 -0.68 -0.16 0.00 -0.26 0.00 0.00 58.87 57.78 1juh n SER 327 Cb 0.00 1.22 0.02 0.00 -0.26 0.00 0.00 64.21 65.19 1juh n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1juh n ASP 328 N -1.72 2.66 -2.09 4.04 8.00 -1.26 -4.84 116.55 121.34 1juh n ASP 328 Ca 0.02 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.44 1juh n ASP 328 Cb 0.40 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1juh n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1juh n GLY 329 N -0.22 -1.33 0.28 0.44 0.00 -1.26 -4.60 105.19 98.50 1juh n GLY 329 Ca 0.20 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1juh n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1juh h LEU 330 N 0.00 -0.44 -0.50 0.99 5.85 -1.97 -1.09 115.31 118.15 1juh h LEU 330 Ca 0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1juh h LEU 330 Cb 0.00 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1juh h LEU 330 CO 0.00 -0.21 0.07 -2.24 -0.34 0.00 0.00 178.44 175.73 1juh h ASP 331 N 0.07 0.79 -0.04 1.25 2.03 -1.98 -1.32 116.42 117.23 1juh h ASP 331 Ca 0.41 -0.27 -0.09 0.00 -0.73 0.00 0.00 57.03 56.35 1juh h ASP 331 Cb 0.71 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1juh h ASP 331 CO -0.71 0.86 -0.24 -0.61 -1.03 0.00 0.00 179.24 177.51 1juh h GLN 332 N 0.70 0.45 -0.33 4.15 5.75 -1.76 -0.95 115.11 123.11 1juh h GLN 332 Ca 0.15 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1juh h GLN 332 Cb 0.41 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1juh h GLN 332 CO 0.01 0.66 0.13 -0.97 -2.65 0.00 0.00 178.83 176.02 1juh h ASN 333 N 0.40 0.46 -0.33 -0.69 -0.73 -0.93 0.02 115.58 113.77 1juh h ASN 333 Ca 0.06 -0.17 -0.09 0.00 1.87 0.00 0.00 56.30 57.97 1juh h ASN 333 Cb 0.64 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 1juh h ASN 333 CO 0.05 0.50 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.43 1juh h LEU 334 N 0.39 0.74 -0.00 0.34 3.38 -0.95 -2.13 115.31 117.07 1juh h LEU 334 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1juh h LEU 334 Cb 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1juh h LEU 334 CO -0.01 0.88 0.00 0.58 0.09 0.00 0.00 178.44 179.98 1juh h VAL 335 N 0.69 1.18 -0.57 1.22 2.07 -0.89 -2.32 116.25 117.62 1juh h VAL 335 Ca 0.12 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1juh h VAL 335 Cb 0.57 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1juh h VAL 335 CO 0.04 0.14 0.38 0.78 0.02 0.00 0.00 177.57 178.92 1juh h ASN 336 N -0.21 0.57 -0.34 0.57 2.35 -0.89 -1.14 115.58 116.48 1juh h ASN 336 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1juh h ASN 336 Cb 0.22 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1juh h ASN 336 CO -0.00 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 1juh n GLY 337 N -1.47 0.67 0.00 2.83 0.00 -0.81 -4.92 105.19 101.50 1juh n GLY 337 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1juh n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juh n GLY 338 N 1.09 5.21 3.15 -0.02 0.00 -0.43 -4.69 105.19 109.49 1juh n GLY 338 Ca 0.13 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1juh n GLY 338 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1juh s GLU 339 N 2.04 0.69 0.37 1.61 -1.05 -0.46 -4.95 118.70 116.95 1juh s GLU 339 Ca 0.00 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 53.62 1juh s GLU 339 Cb 0.00 0.27 -0.11 0.00 -0.44 0.00 0.00 34.13 33.85 1juh s GLU 339 CO 0.00 -0.18 1.46 0.39 0.95 0.00 0.00 175.26 177.87 1juh n GLU 340 N 0.33 2.59 -3.82 -4.83 1.02 -1.26 -0.34 120.64 114.32 1juh n GLU 340 Ca -0.16 0.91 -0.13 0.00 -0.02 0.00 0.00 57.16 57.75 1juh n GLU 340 Cb 0.60 -2.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.26 1juh n GLU 340 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1juh s TRP 341 N -1.12 -0.02 -0.35 -0.32 -0.11 -0.39 -4.67 118.94 111.96 1juh s TRP 341 Ca 0.54 0.12 0.08 0.00 1.22 0.00 0.00 56.10 58.06 1juh s TRP 341 Cb -0.49 -0.08 0.59 0.00 -1.50 0.00 0.00 33.47 32.00 1juh s TRP 341 CO 0.64 -0.05 1.66 0.43 -4.62 0.00 0.00 176.95 175.01 1juh n SER 342 N 3.52 3.25 -3.92 5.86 7.64 -1.26 -3.96 113.62 124.75 1juh n SER 342 Ca -0.18 -3.62 -0.09 0.00 1.01 0.00 0.00 58.87 55.99 1juh n SER 342 Cb 0.56 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1juh n SER 342 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1juh s SER 343 N -1.91 0.18 0.00 6.43 0.15 -1.26 -5.02 113.70 112.27 1juh s SER 343 Ca 0.50 -0.56 0.27 0.00 0.70 0.00 0.00 55.95 56.87 1juh s SER 343 Cb 0.43 0.24 0.90 0.00 -1.71 0.00 0.00 66.02 65.89 1juh s SER 343 CO 0.06 -0.54 1.68 1.33 1.20 0.00 0.00 173.24 176.97 1juh n VAL 344 N 0.65 0.00 -4.12 4.45 0.24 -1.26 -4.83 118.33 113.46 1juh n VAL 344 Ca -0.18 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1juh n VAL 344 Cb 0.59 -0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 1juh n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1juh s SER 345 N -2.84 5.55 0.60 -1.34 0.01 -1.26 -5.02 113.70 109.41 1juh s SER 345 Ca 0.17 0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.51 1juh s SER 345 Cb 0.19 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.92 1juh s SER 345 CO 0.59 0.25 0.85 0.72 0.41 0.00 0.00 173.24 176.05 1juh s PHE 346 N -1.23 2.63 0.62 2.43 -0.12 -1.26 -5.04 117.98 116.01 1juh s PHE 346 Ca 0.24 0.00 -0.18 0.00 -0.05 0.00 0.00 56.93 56.95 1juh s PHE 346 Cb -0.12 -2.86 -0.04 0.00 -0.63 0.00 0.00 43.02 39.37 1juh s PHE 346 CO 0.15 -1.11 0.99 -2.30 -0.05 0.00 0.00 175.22 172.90 1juh n PRO 347 N -2.52 0.87 0.04 1.99 -0.02 -1.26 -4.90 135.00 129.19 1juh n PRO 347 Ca 0.09 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1juh n PRO 347 Cb 0.60 -2.20 0.54 0.00 -0.02 0.00 0.00 33.50 32.41 1juh n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1juh n ALA 348 N -1.84 2.29 -2.54 3.55 0.00 -1.26 -4.80 120.51 115.90 1juh n ALA 348 Ca 0.14 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1juh n ALA 348 Cb 0.48 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 1juh n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1juh s ASP 349 N -3.53 2.46 0.00 0.00 1.01 -1.26 -5.30 116.67 110.06 1juh s ASP 349 Ca 0.13 -0.65 0.25 0.00 0.71 0.00 0.00 52.55 52.98 1juh s ASP 349 Cb 0.16 -0.14 1.48 0.00 1.01 0.00 0.00 42.92 45.43 1juh s ASP 349 CO 0.54 0.07 1.84 0.79 0.21 0.00 0.00 175.17 178.62