#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juh n SER 4 N 0.00 -2.37 -0.19 0.00 2.88 -1.26 -4.91 113.62 107.77 1juh n SER 4 Ca 0.00 0.72 -0.08 0.00 -1.33 0.00 0.00 58.87 58.18 1juh n SER 4 Cb 0.00 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.48 1juh n SER 4 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1juh h LEU 5 N 0.18 0.79 -9.33 2.46 5.85 -1.95 -3.43 115.31 109.89 1juh h LEU 5 Ca -0.42 -0.21 -0.56 0.00 0.84 0.00 0.00 57.88 57.53 1juh h LEU 5 Cb 1.43 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1juh h LEU 5 CO 0.45 0.79 0.19 -0.63 -0.34 0.00 0.00 178.44 178.90 1juh s ILE 6 N -5.40 4.98 0.18 4.05 1.01 -1.26 -1.07 121.20 123.70 1juh s ILE 6 Ca -0.13 1.58 0.09 0.00 0.00 0.00 0.00 60.65 62.19 1juh s ILE 6 Cb 0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1juh s ILE 6 CO 0.80 0.19 -0.19 0.68 0.00 0.00 0.00 174.94 176.42 1juh s VAL 7 N 1.13 1.94 -0.17 2.92 -7.23 -0.12 -4.93 120.40 113.94 1juh s VAL 7 Ca 0.40 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.79 1juh s VAL 7 Cb -0.18 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 1juh s VAL 7 CO 0.18 -0.32 0.86 -0.62 -0.31 0.00 0.00 175.10 174.90 1juh n GLU 8 N 0.16 0.62 -3.96 4.82 -0.58 -1.26 -4.37 120.64 116.07 1juh n GLU 8 Ca -0.12 0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.54 1juh n GLU 8 Cb 0.57 -1.73 -0.12 0.00 -0.57 0.00 0.00 31.44 29.59 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 -5.12 0.24 0.40 1.62 1.11 -1.26 -0.95 116.67 112.70 1juh s ASP 9 Ca -0.03 -0.30 -0.26 0.00 0.18 0.00 0.00 52.55 52.13 1juh s ASP 9 Cb 0.11 0.05 -0.10 0.00 1.07 0.00 0.00 42.92 44.04 1juh s ASP 9 CO 0.83 -0.16 1.35 0.00 1.18 0.00 0.00 175.17 178.36 1juh n ALA 10 N 2.20 1.65 -0.80 5.23 0.00 -1.26 -4.95 120.51 122.57 1juh n ALA 10 Ca -0.19 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1juh n ALA 10 Cb 0.57 -2.32 0.17 0.00 0.00 0.00 0.00 19.45 17.87 1juh n ALA 10 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1juh s PRO 11 N -2.17 0.90 -0.02 0.00 0.02 -1.26 -4.93 135.00 127.54 1juh s PRO 11 Ca 0.58 1.32 0.12 0.00 0.02 0.00 0.00 61.00 63.04 1juh s PRO 11 Cb -0.50 -1.73 0.38 0.00 0.02 0.00 0.00 34.50 32.67 1juh s PRO 11 CO 0.60 -2.64 1.29 -0.40 -0.33 0.00 0.00 177.00 175.52 1juh n ASP 12 N -4.22 2.43 -3.88 2.53 5.68 -1.26 -3.35 116.55 114.47 1juh n ASP 12 Ca 0.10 -2.07 -0.09 0.00 -0.50 0.00 0.00 54.79 52.23 1juh n ASP 12 Cb 0.53 -0.32 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 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 -1.52 0.09 -0.09 2.11 -3.43 -1.25 -4.71 115.29 106.49 1juh s HIS 13 Ca 0.28 -0.46 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 1juh s HIS 13 Cb 0.16 0.36 -0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1juh s HIS 13 CO 0.18 -1.01 1.26 0.08 -2.00 0.00 0.00 174.74 173.24 1juh s VAL 14 N -3.95 4.19 0.00 -5.38 1.01 -1.24 -4.48 120.40 110.56 1juh s VAL 14 Ca 0.15 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 1juh s VAL 14 Cb -0.02 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1juh s VAL 14 CO 0.04 -0.06 0.87 0.00 0.00 0.00 0.00 175.10 175.96 1juh s ARG 15 N 2.79 0.85 0.36 2.72 1.70 -1.26 -5.05 118.95 121.05 1juh s ARG 15 Ca 0.57 -0.31 -0.27 0.00 -0.47 0.00 0.00 55.73 55.24 1juh s ARG 15 Cb -0.24 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.43 1juh s ARG 15 CO 0.20 -0.37 1.21 -2.14 -1.08 0.00 0.00 175.30 173.12 1juh s PRO 16 N -3.16 4.25 0.12 3.89 0.02 -1.26 -4.61 135.00 134.25 1juh s PRO 16 Ca 0.05 1.98 -0.25 0.00 0.02 0.00 0.00 61.00 62.80 1juh s PRO 16 Cb -0.01 -2.91 0.07 0.00 0.02 0.00 0.00 34.50 31.67 1juh s PRO 16 CO -0.09 -0.19 0.82 1.52 -0.33 0.00 0.00 177.00 178.72 1juh s TYR 17 N -1.26 -0.31 -0.02 6.54 -0.85 -0.99 -4.89 117.35 115.59 1juh s TYR 17 Ca 0.52 0.06 0.04 0.00 -0.52 0.00 0.00 57.07 57.17 1juh s TYR 17 Cb -0.35 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 42.58 1juh s TYR 17 CO 0.45 -0.80 -0.13 0.08 -1.52 0.00 0.00 175.55 173.63 1juh s VAL 18 N -3.43 1.08 -0.08 -3.49 1.01 -0.23 -0.88 120.40 114.38 1juh s VAL 18 Ca 0.07 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1juh s VAL 18 Cb -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1juh s VAL 18 CO -0.04 0.31 -0.04 -0.51 0.00 0.00 0.00 175.10 174.82 1juh s ILE 19 N -0.22 0.65 0.56 2.22 2.07 -0.29 -0.94 121.20 125.25 1juh s ILE 19 Ca 0.03 -0.09 -0.19 0.00 -1.41 0.00 0.00 60.65 59.00 1juh s ILE 19 Cb -0.06 -0.72 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 1juh s ILE 19 CO -0.00 0.29 1.12 -0.13 -1.91 0.00 0.00 174.94 174.31 1juh s ARG 20 N 1.58 3.28 0.21 3.50 1.81 -1.26 -1.19 118.95 126.87 1juh s ARG 20 Ca 0.00 1.55 -0.32 0.00 -1.72 0.00 0.00 55.73 55.24 1juh s ARG 20 Cb -0.13 -2.00 -0.14 0.00 -0.45 0.00 0.00 34.95 32.23 1juh s ARG 20 CO -0.04 -0.89 1.31 1.58 -0.68 0.00 0.00 175.30 176.58 1juh n HIS 21 N -1.49 1.82 -1.33 -0.53 -0.00 -1.25 -1.59 115.22 110.85 1juh n HIS 21 Ca 0.11 0.53 -0.11 0.00 0.46 0.00 0.00 57.72 58.71 1juh n HIS 21 Cb 0.51 -2.39 -0.05 0.00 -0.12 0.00 0.00 29.99 27.94 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 1.78 0.00 -0.90 1.57 4.01 -1.26 -4.98 117.16 117.38 1juh n TYR 22 Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.58 1juh n TYR 22 Cb 0.29 -2.22 0.18 0.00 -0.31 0.00 0.00 39.34 37.27 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 -2.74 2.60 0.18 7.72 0.01 -0.62 -4.81 113.70 116.04 1juh s SER 23 Ca 0.00 1.65 -0.15 0.00 1.31 0.00 0.00 55.95 58.76 1juh s SER 23 Cb 0.00 -2.30 0.15 0.00 0.21 0.00 0.00 66.02 64.09 1juh s SER 23 CO 0.00 -3.21 1.69 -0.74 0.41 0.00 0.00 173.24 171.38 1juh h HIS 24 N -1.94 -0.05 -6.95 2.43 2.76 -1.86 -3.46 115.15 106.07 1juh h HIS 24 Ca -0.52 0.03 -0.59 0.00 -2.20 0.00 0.00 60.37 57.10 1juh h HIS 24 Cb 1.30 0.09 -0.14 0.00 1.55 0.00 0.00 27.41 30.21 1juh h HIS 24 CO 0.39 -0.11 -0.96 0.00 -1.30 0.00 0.00 177.93 175.95 1juh n ALA 25 N -2.64 -2.13 -4.05 5.26 0.00 -0.13 -1.18 120.51 115.64 1juh n ALA 25 Ca 0.04 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1juh n ALA 25 Cb 0.24 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -4.63 -3.28 -1.69 0.00 1.74 -1.26 -0.93 116.66 106.61 1juh n ARG 26 Ca -0.28 0.39 -0.40 0.00 -0.77 0.00 0.00 57.85 56.79 1juh n ARG 26 Cb 0.67 -4.71 0.02 0.00 -1.02 0.00 0.00 32.46 27.42 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 -4.42 1.11 -2.39 7.54 0.00 -0.33 -4.70 120.51 117.32 1juh n ALA 27 Ca -0.18 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1juh n ALA 27 Cb 0.62 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 1juh n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1juh s VAL 28 N -1.25 0.18 0.08 0.00 -7.23 -0.92 -1.85 120.40 109.42 1juh s VAL 28 Ca 0.64 -1.45 0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1juh s VAL 28 Cb -0.49 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1juh s VAL 28 CO 0.56 -0.80 -0.24 0.42 -0.31 0.00 0.00 175.10 174.73 1juh s THR 29 N -3.50 1.94 -0.24 5.32 -4.23 -0.02 -0.77 115.64 114.15 1juh s THR 29 Ca 0.03 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1juh s THR 29 Cb 0.04 -1.71 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1juh s THR 29 CO -0.09 0.13 0.04 -0.69 -0.54 0.00 0.00 174.62 173.48 1juh s VAL 30 N -0.97 0.80 0.00 2.29 1.01 -0.42 -1.04 120.40 122.07 1juh s VAL 30 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1juh s VAL 30 Cb -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1juh s VAL 30 CO 0.04 -0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.27 1juh n ASP 31 N 4.92 0.00 -0.10 3.32 8.00 -1.26 -1.29 116.55 130.14 1juh n ASP 31 Ca -0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.56 1juh n ASP 31 Cb 0.45 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.05 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 -3.05 -3.53 -2.24 -1.26 -4.89 114.28 99.31 1juh n THR 32 Ca 0.00 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1juh n THR 32 Cb 0.00 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.65 4.44 -0.18 -0.78 -0.21 -0.41 -4.54 119.66 115.34 1juh s GLN 33 Ca 0.22 0.97 -0.01 0.00 0.02 0.00 0.00 55.36 56.57 1juh s GLN 33 Cb 0.19 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.85 1juh s GLN 33 CO 0.53 0.33 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.73 1juh s LEU 34 N -0.17 2.52 -0.12 2.90 0.20 -0.45 -1.30 118.68 122.27 1juh s LEU 34 Ca 0.36 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.66 1juh s LEU 34 Cb -0.20 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1juh s LEU 34 CO 0.21 0.05 0.05 -0.31 -0.29 0.00 0.00 176.35 176.06 1juh s TYR 35 N 1.05 3.28 -0.02 5.38 2.02 0.05 -1.01 117.35 128.11 1juh s TYR 35 Ca -0.01 0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.97 1juh s TYR 35 Cb -0.15 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1juh s TYR 35 CO -0.03 0.43 -0.17 1.03 -1.57 0.00 0.00 175.55 175.24 1juh s ARG 36 N -0.55 1.49 -0.54 -0.62 0.52 0.67 -2.16 118.95 117.75 1juh s ARG 36 Ca 0.10 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1juh s ARG 36 Cb -0.12 -1.40 0.14 0.00 0.52 0.00 0.00 34.95 34.09 1juh s ARG 36 CO 0.02 0.34 0.34 -0.06 0.02 0.00 0.00 175.30 175.96 1juh s PHE 37 N -0.31 3.44 0.15 -0.53 0.08 -0.10 -0.56 117.98 120.15 1juh s PHE 37 Ca 0.04 -2.73 -0.06 0.00 0.12 0.00 0.00 56.93 54.31 1juh s PHE 37 Cb -0.08 -3.14 -0.02 0.00 -0.57 0.00 0.00 43.02 39.21 1juh s PHE 37 CO -0.00 -0.86 1.39 1.88 -0.10 0.00 0.00 175.22 177.53 1juh h TYR 38 N 7.22 0.76 -3.39 0.36 0.05 -1.45 -3.39 116.97 117.13 1juh h TYR 38 Ca -0.05 -0.33 -0.49 0.00 0.05 0.00 0.00 58.73 57.90 1juh h TYR 38 Cb 0.97 -0.12 -0.34 0.00 1.01 0.00 0.00 36.73 38.25 1juh h TYR 38 CO 0.63 1.12 -0.80 0.08 -1.05 0.00 0.00 178.16 178.14 1juh s VAL 39 N -3.69 0.96 0.49 -2.88 1.01 -0.39 -4.61 120.40 111.28 1juh s VAL 39 Ca -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1juh s VAL 39 Cb 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1juh s VAL 39 CO 0.87 0.32 0.06 0.42 0.00 0.00 0.00 175.10 176.77 1juh s THR 40 N 0.90 1.44 0.07 3.92 -4.23 -1.26 -1.09 115.64 115.39 1juh s THR 40 Ca -0.11 -1.93 -0.27 0.00 -1.18 0.00 0.00 61.69 58.21 1juh s THR 40 Cb -0.15 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 1juh s THR 40 CO 0.01 0.00 1.64 1.23 -0.54 0.00 0.00 174.62 176.96 1juh h GLY 41 N 1.37 -0.43 0.78 3.99 0.00 -1.86 -1.59 103.07 105.33 1juh h GLY 41 Ca -0.43 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.10 1juh h GLY 41 CO 0.73 -0.15 0.47 -2.55 0.00 0.00 0.00 176.54 175.04 1juh h PRO 42 N -0.45 0.86 0.00 4.80 0.11 -1.90 0.66 132.00 136.09 1juh h PRO 42 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1juh h PRO 42 Cb 0.34 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1juh h PRO 42 CO 0.07 0.57 -0.16 0.66 -0.21 0.00 0.00 178.00 178.92 1juh h SER 43 N 0.88 0.00 -0.30 -2.05 4.64 -1.54 -3.12 113.55 112.07 1juh h SER 43 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1juh h SER 43 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1juh h SER 43 CO -0.15 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 174.44 1juh n SER 44 N -3.31 2.79 -1.89 4.97 3.41 -0.61 -4.12 113.62 114.86 1juh n SER 44 Ca 0.00 -1.92 -0.15 0.00 -0.26 0.00 0.00 58.87 56.54 1juh n SER 44 Cb 0.40 -0.20 0.01 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 0.55 -0.21 2.49 5.00 0.00 -0.28 -2.53 105.19 110.21 1juh n GLY 45 Ca 0.11 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.07 0.00 -0.07 1.61 4.01 0.22 -4.92 117.16 113.94 1juh n TYR 46 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 1juh n TYR 46 Cb 0.61 -2.73 -0.05 0.00 -0.31 0.00 0.00 39.34 36.86 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 0.29 -2.09 -0.72 0.00 -1.73 -0.11 119.26 114.89 1juh h ALA 47 Ca -0.31 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.56 1juh h ALA 47 Cb 1.03 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1juh h ALA 47 CO 0.46 0.07 0.58 -0.59 0.00 0.00 0.00 179.25 179.76 1juh s PHE 48 N -4.76 -0.12 -0.04 0.00 -0.12 -1.26 -3.10 117.98 108.57 1juh s PHE 48 Ca -0.14 -0.11 0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1juh s PHE 48 Cb 0.07 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 1juh s PHE 48 CO 0.75 -0.65 -0.25 0.99 -0.05 0.00 0.00 175.22 176.00 1juh s THR 49 N -3.03 2.03 -0.18 -4.49 2.01 -0.12 -4.28 115.64 107.57 1juh s THR 49 Ca 0.12 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1juh s THR 49 Cb 0.00 -1.70 0.04 0.00 0.01 0.00 0.00 72.50 70.85 1juh s THR 49 CO -0.00 0.57 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.20 1juh s LEU 50 N -0.31 1.87 0.16 4.42 0.20 -0.25 -1.36 118.68 123.41 1juh s LEU 50 Ca 0.01 -0.75 0.04 0.00 0.69 0.00 0.00 54.13 54.12 1juh s LEU 50 Cb -0.12 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.56 1juh s LEU 50 CO 0.02 -0.17 -0.09 0.00 -0.29 0.00 0.00 176.35 175.82 1juh s MET 51 N 1.54 1.09 -0.02 1.98 0.23 0.07 -1.23 119.30 122.96 1juh s MET 51 Ca -0.00 -1.47 0.05 0.00 -1.03 0.00 0.00 55.69 53.24 1juh s MET 51 Cb -0.16 -0.62 -0.01 0.00 -1.53 0.00 0.00 34.83 32.51 1juh s MET 51 CO -0.08 0.06 -0.17 0.20 -2.03 0.00 0.00 175.02 173.00 1juh s GLY 52 N -3.18 0.85 -0.13 3.16 0.00 0.28 0.00 107.32 108.30 1juh s GLY 52 Ca 0.18 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1juh s GLY 52 CO 0.01 -0.58 -0.18 -1.59 0.00 0.00 0.00 173.10 170.76 1juh s THR 53 N -0.34 1.76 -0.06 0.90 2.01 0.46 -0.24 115.64 120.13 1juh s THR 53 Ca 0.05 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1juh s THR 53 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1juh s THR 53 CO -0.00 0.49 -0.16 0.20 -0.69 0.00 0.00 174.62 174.46 1juh s ASN 54 N 0.96 3.85 0.03 3.53 -0.87 -0.18 -0.71 114.94 121.55 1juh s ASN 54 Ca -0.06 -0.27 -0.27 0.00 -1.57 0.00 0.00 52.86 50.69 1juh s ASN 54 Cb -0.15 -0.92 0.08 0.00 -0.02 0.00 0.00 41.25 40.24 1juh s ASN 54 CO -0.03 0.31 0.70 0.00 -2.57 0.00 0.00 177.10 175.51 1juh s ALA 55 N -0.49 -1.72 0.76 0.60 0.00 -0.83 -1.34 121.76 118.73 1juh s ALA 55 Ca 0.06 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 1juh s ALA 55 Cb -0.12 0.35 0.12 0.00 0.00 0.00 0.00 23.12 23.47 1juh s ALA 55 CO 0.01 -0.57 1.05 -1.25 0.00 0.00 0.00 175.76 175.01 1juh s PRO 56 N -2.46 1.64 0.36 0.00 0.04 -1.26 -3.02 135.00 130.30 1juh s PRO 56 Ca -0.03 -0.74 -0.28 0.00 0.04 0.00 0.00 61.00 59.99 1juh s PRO 56 Cb -0.01 -2.20 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 1juh s PRO 56 CO -0.02 -1.55 1.37 1.58 0.04 0.00 0.00 177.00 178.41 1juh n HIS 57 N -3.02 2.55 -4.21 0.56 -0.00 -1.22 -4.76 115.22 105.12 1juh n HIS 57 Ca 0.13 0.51 -0.17 0.00 -0.00 0.00 0.00 57.72 58.19 1juh n HIS 57 Cb 0.60 -2.46 -0.13 0.00 -0.00 0.00 0.00 29.99 28.00 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 -0.26 1.10 0.00 0.26 0.15 -0.74 -5.01 113.70 109.21 1juh s SER 58 Ca 0.55 -0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.08 1juh s SER 58 Cb -0.53 -0.05 0.81 0.00 -1.71 0.00 0.00 66.02 64.55 1juh s SER 58 CO 0.63 -0.04 1.60 0.47 1.20 0.00 0.00 173.24 177.10 1juh n ASP 59 N 2.06 1.05 -4.53 5.45 8.00 -1.26 -4.65 116.55 122.67 1juh n ASP 59 Ca -0.18 -0.95 -0.25 0.00 0.71 0.00 0.00 54.79 54.13 1juh n ASP 59 Cb 0.56 0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.44 2.92 0.51 2.24 0.00 -1.26 -5.11 121.76 118.61 1juh s ALA 60 Ca 0.26 -1.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.05 1juh s ALA 60 Cb 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 1juh s ALA 60 CO 0.50 0.18 1.26 1.28 0.00 0.00 0.00 175.76 178.98 1juh n LEU 61 N -0.75 4.68 0.02 0.00 4.77 -1.26 -4.62 117.00 119.84 1juh n LEU 61 Ca -0.05 1.00 0.13 0.00 -0.03 0.00 0.00 56.01 57.06 1juh n LEU 61 Cb 0.61 -1.52 0.48 0.00 -2.33 0.00 0.00 43.42 40.67 1juh n LEU 61 CO 0.41 -0.81 0.81 0.61 -1.33 0.00 0.00 177.39 177.07 1juh n GLY 62 N 0.86 -1.47 3.52 -0.72 0.00 0.73 -4.87 105.19 103.24 1juh n GLY 62 Ca 0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.03 0.00 0.41 1.61 0.11 -1.26 -4.99 120.40 113.25 1juh s VAL 63 Ca 0.12 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 1juh s VAL 63 Cb 0.17 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.93 1juh s VAL 63 CO 0.59 0.00 1.03 -0.76 -3.33 0.00 0.00 175.10 172.62 1juh s LEU 64 N -1.51 4.10 0.26 2.54 1.43 -1.26 -4.59 118.68 119.65 1juh s LEU 64 Ca -0.05 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1juh s LEU 64 Cb -0.00 -4.26 -0.14 0.00 0.03 0.00 0.00 46.19 41.82 1juh s LEU 64 CO 0.03 -0.47 1.16 -2.65 0.23 0.00 0.00 176.35 174.65 1juh n PRO 65 N -0.19 1.57 -3.82 1.29 -0.02 -1.26 -4.84 135.00 127.73 1juh n PRO 65 Ca 0.05 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 62.03 1juh n PRO 65 Cb 0.51 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.70 -0.09 0.16 6.00 -3.43 -0.89 -2.10 115.29 114.24 1juh s HIS 66 Ca 0.63 -0.36 0.05 0.00 -0.80 0.00 0.00 55.06 54.58 1juh s HIS 66 Cb -0.70 0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1juh s HIS 66 CO 0.57 -1.14 -0.11 0.96 -2.00 0.00 0.00 174.74 173.02 1juh s ILE 67 N -3.23 1.30 -0.12 -5.38 -4.36 -0.41 -1.57 121.20 107.44 1juh s ILE 67 Ca 0.13 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.49 1juh s ILE 67 Cb -0.04 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.81 1juh s ILE 67 CO 0.06 -0.69 -0.22 -1.00 0.24 0.00 0.00 174.94 173.33 1juh s HIS 68 N -3.16 2.53 -0.29 1.37 3.76 -1.26 -1.09 115.29 117.15 1juh s HIS 68 Ca 0.17 -1.15 0.21 0.00 -0.15 0.00 0.00 55.06 54.15 1juh s HIS 68 Cb 0.01 -1.71 0.11 0.00 1.11 0.00 0.00 32.58 32.10 1juh s HIS 68 CO 0.02 -0.50 1.25 1.96 -0.85 0.00 0.00 174.74 176.62 1juh h GLN 69 N 7.02 0.00 0.00 1.40 4.20 -1.96 0.67 115.11 126.44 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 0.07 0.00 1.63 -0.67 0.00 0.00 178.83 180.37 1juh n LYS 70 N -2.89 0.26 -4.71 1.46 5.02 -1.26 -4.65 118.16 111.39 1juh n LYS 70 Ca 0.01 -0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 55.32 1juh n LYS 70 Cb 0.59 -0.94 -0.15 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.28 1.38 -0.25 2.13 3.76 -1.26 -4.35 115.29 116.41 1juh s HIS 71 Ca 0.00 -0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 1juh s HIS 71 Cb 0.00 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 1juh s HIS 71 CO 0.00 -0.02 0.28 -0.47 -0.85 0.00 0.00 174.74 173.68 1juh s TYR 72 N -0.37 3.29 -0.00 1.40 6.14 0.68 -3.98 117.35 124.49 1juh s TYR 72 Ca 0.06 0.34 -0.01 0.00 0.64 0.00 0.00 57.07 58.10 1juh s TYR 72 Cb -0.06 -2.44 -0.04 0.00 0.42 0.00 0.00 41.96 39.85 1juh s TYR 72 CO -0.01 -0.09 0.10 -2.00 0.64 0.00 0.00 175.55 174.20 1juh s GLU 73 N 1.57 3.13 -0.04 4.97 2.12 -0.19 -1.66 118.70 128.59 1juh s GLU 73 Ca 0.12 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1juh s GLU 73 Cb -0.15 -2.90 0.03 0.00 0.26 0.00 0.00 34.13 31.37 1juh s GLU 73 CO 0.08 0.65 -0.01 -0.80 -0.54 0.00 0.00 175.26 174.64 1juh s ASN 74 N -1.79 0.81 -0.21 -1.70 0.01 -0.75 -0.49 114.94 110.81 1juh s ASN 74 Ca 0.24 -0.06 -0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1juh s ASN 74 Cb -0.12 -0.32 -0.02 0.00 0.41 0.00 0.00 41.25 41.21 1juh s ASN 74 CO 0.15 -0.11 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.24 1juh s PHE 75 N 1.22 2.99 -0.08 2.20 0.40 -0.14 -2.11 117.98 122.45 1juh s PHE 75 Ca -0.07 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1juh s PHE 75 Cb -0.13 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1juh s PHE 75 CO -0.02 -0.39 -0.14 -0.47 0.70 0.00 0.00 175.22 174.90 1juh s TYR 76 N 1.21 1.73 -0.44 0.36 5.04 -0.36 -0.64 117.35 124.24 1juh s TYR 76 Ca 0.03 -0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 53.72 1juh s TYR 76 Cb -0.14 -1.25 0.02 0.00 0.35 0.00 0.00 41.96 40.94 1juh s TYR 76 CO -0.00 -0.35 0.77 0.00 -1.34 0.00 0.00 175.55 174.63 1juh h ASN 78 N 8.92 0.75 -5.04 0.00 -0.73 -1.37 0.24 115.58 118.36 1juh h ASN 78 Ca -0.25 -0.78 0.07 0.00 1.87 0.00 0.00 56.30 57.21 1juh h ASN 78 Cb 1.09 -0.23 -0.08 0.00 0.27 0.00 0.00 38.32 39.37 1juh h ASN 78 CO 0.95 1.44 0.30 -1.59 -0.37 0.00 0.00 177.43 178.16 1juh s LYS 79 N -3.13 1.48 3.68 6.67 -2.85 -1.19 -4.50 119.74 119.89 1juh s LYS 79 Ca -0.11 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1juh s LYS 79 Cb 0.05 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1juh s LYS 79 CO 0.88 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 176.07 1juh n GLY 80 N -0.43 0.35 3.57 0.59 0.00 -1.18 -1.48 105.19 106.61 1juh n GLY 80 Ca -0.08 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.54 0.03 1.61 0.15 -1.26 -3.46 113.70 106.23 1juh s SER 81 Ca 0.00 0.69 -0.13 0.00 0.70 0.00 0.00 55.95 57.20 1juh s SER 81 Cb 0.00 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1juh s SER 81 CO 0.00 -0.42 0.29 0.72 1.20 0.00 0.00 173.24 175.03 1juh s PHE 82 N -0.85 -0.10 -0.01 3.44 -0.12 -0.66 -0.63 117.98 119.05 1juh s PHE 82 Ca -0.05 -0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 56.77 1juh s PHE 82 Cb -0.01 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1juh s PHE 82 CO 0.04 -0.47 0.24 -1.14 -0.05 0.00 0.00 175.22 173.84 1juh s GLN 83 N -2.33 3.55 -0.04 1.99 0.74 0.56 -0.49 119.66 123.64 1juh s GLN 83 Ca -0.07 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.26 1juh s GLN 83 Cb -0.02 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1juh s GLN 83 CO -0.02 0.66 -0.14 -1.17 -0.55 0.00 0.00 175.29 174.08 1juh s LEU 84 N -1.72 1.85 -0.02 3.68 2.96 -0.23 -1.00 118.68 124.21 1juh s LEU 84 Ca 0.26 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1juh s LEU 84 Cb -0.13 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1juh s LEU 84 CO 0.15 0.11 -0.25 0.26 -1.32 0.00 0.00 176.35 175.31 1juh s TRP 85 N 0.15 2.36 -0.01 5.38 0.51 -0.48 -1.79 118.94 125.06 1juh s TRP 85 Ca -0.05 -0.41 -0.18 0.00 -2.12 0.00 0.00 56.10 53.34 1juh s TRP 85 Cb -0.11 -1.51 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 1juh s TRP 85 CO 0.02 -0.01 0.39 0.00 -0.51 0.00 0.00 176.95 176.84 1juh s ALA 86 N -0.63 -1.00 -0.21 0.98 0.00 0.11 -2.40 121.76 118.61 1juh s ALA 86 Ca 0.10 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1juh s ALA 86 Cb -0.10 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1juh s ALA 86 CO -0.01 -0.30 0.54 -1.14 0.00 0.00 0.00 175.76 174.85 1juh s GLN 87 N -1.43 0.59 -0.16 0.00 0.74 -0.31 -0.98 119.66 118.11 1juh s GLN 87 Ca -0.12 0.86 -0.00 0.00 0.05 0.00 0.00 55.36 56.15 1juh s GLN 87 Cb -0.04 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.26 1juh s GLN 87 CO 0.05 -0.11 -0.15 0.45 -0.55 0.00 0.00 175.29 174.98 1juh s SER 88 N 0.84 3.70 0.04 6.67 0.15 -1.26 -0.90 113.70 122.94 1juh s SER 88 Ca -0.04 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1juh s SER 88 Cb -0.05 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1juh s SER 88 CO -0.07 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1juh n GLY 89 N 4.09 2.23 0.50 9.45 0.00 -1.26 -0.95 105.19 119.25 1juh n GLY 89 Ca -0.19 0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 1.94 1.49 -4.86 1.61 3.02 -1.26 -4.93 115.26 112.27 1juh n ASN 90 Ca 0.00 -1.76 -0.31 0.00 -0.03 0.00 0.00 54.58 52.49 1juh n ASN 90 Cb 0.00 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.76 3.17 0.42 3.52 2.02 -0.12 -5.01 118.70 120.94 1juh s GLU 91 Ca 0.29 0.73 -0.26 0.00 0.02 0.00 0.00 54.97 55.75 1juh s GLU 91 Cb 0.15 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.26 1juh s GLU 91 CO 0.22 -0.88 1.30 0.99 0.02 0.00 0.00 175.26 176.92 1juh s THR 92 N -3.18 2.59 0.16 3.63 2.01 -1.26 -4.59 115.64 115.00 1juh s THR 92 Ca 0.57 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 1juh s THR 92 Cb -0.12 -3.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 1juh s THR 92 CO 0.54 0.07 1.20 -1.58 -0.69 0.00 0.00 174.62 174.16 1juh s GLN 93 N -2.30 4.48 0.07 4.92 0.74 -1.26 -4.73 119.66 121.59 1juh s GLN 93 Ca 0.58 1.86 0.08 0.00 0.05 0.00 0.00 55.36 57.93 1juh s GLN 93 Cb -0.38 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1juh s GLN 93 CO 0.49 -0.12 -0.17 -0.65 -0.55 0.00 0.00 175.29 174.28 1juh s GLN 94 N -0.01 1.97 -0.10 1.67 -1.52 -0.15 -4.36 119.66 117.16 1juh s GLN 94 Ca 0.54 -1.06 -0.13 0.00 -1.95 0.00 0.00 55.36 52.76 1juh s GLN 94 Cb -0.32 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.33 1juh s GLN 94 CO 0.35 0.52 0.34 -0.08 -0.25 0.00 0.00 175.29 176.17 1juh s THR 95 N -1.03 0.02 0.02 -0.19 -1.32 -0.56 -0.71 115.64 111.88 1juh s THR 95 Ca 0.16 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1juh s THR 95 Cb -0.11 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1juh s THR 95 CO 0.08 -0.08 0.05 -0.13 -2.21 0.00 0.00 174.62 172.33 1juh s ARG 96 N -0.27 0.45 -0.38 7.08 1.81 -0.74 -1.99 118.95 124.91 1juh s ARG 96 Ca -0.04 -0.62 -0.14 0.00 -1.72 0.00 0.00 55.73 53.21 1juh s ARG 96 Cb -0.03 0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.65 1juh s ARG 96 CO 0.02 -0.10 0.26 0.08 -0.68 0.00 0.00 175.30 174.88 1juh s VAL 97 N -1.88 5.16 -0.10 3.52 1.01 0.39 -1.06 120.40 127.43 1juh s VAL 97 Ca -0.11 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1juh s VAL 97 Cb -0.06 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1juh s VAL 97 CO -0.02 -0.19 0.63 -0.76 0.00 0.00 0.00 175.10 174.76 1juh s LEU 98 N 1.68 4.28 0.00 3.92 1.02 0.35 -4.93 118.68 125.00 1juh s LEU 98 Ca 0.05 1.03 0.02 0.00 0.02 0.00 0.00 54.13 55.25 1juh s LEU 98 Cb -0.18 -2.94 0.02 0.00 0.02 0.00 0.00 46.19 43.10 1juh s LEU 98 CO 0.10 -0.11 0.17 -1.54 0.02 0.00 0.00 176.35 174.99 1juh n SER 99 N 3.95 2.73 -4.67 2.29 3.41 -1.26 -1.66 113.62 118.41 1juh n SER 99 Ca -0.03 -2.63 -0.58 0.00 -0.26 0.00 0.00 58.87 55.37 1juh n SER 99 Cb 0.51 0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1juh n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1juh n SER 100 N -1.58 1.80 0.00 4.04 7.64 -1.23 -1.04 113.62 123.25 1juh n SER 100 Ca -0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1juh n SER 100 Cb 0.50 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1juh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1juh n GLY 101 N 3.54 1.33 3.85 0.23 0.00 0.84 -4.77 105.19 110.20 1juh n GLY 101 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.03 6.54 0.01 1.61 1.01 -0.21 -3.84 116.67 118.77 1juh s ASP 102 Ca 0.00 1.53 0.02 0.00 0.71 0.00 0.00 52.55 54.82 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 -0.65 -0.08 -0.47 0.21 0.00 0.00 175.17 174.18 1juh s TYR 103 N -2.75 0.69 -0.05 4.23 5.04 -0.28 -1.50 117.35 122.72 1juh s TYR 103 Ca 0.58 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1juh s TYR 103 Cb -0.10 -0.43 0.02 0.00 0.35 0.00 0.00 41.96 41.80 1juh s TYR 103 CO 0.36 -0.02 -0.06 0.20 -1.34 0.00 0.00 175.55 174.69 1juh s GLY 104 N -0.68 0.54 -0.21 8.97 0.00 0.18 -0.98 107.32 115.14 1juh s GLY 104 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 1juh s GLY 104 CO 0.00 0.45 0.09 -0.45 0.00 0.00 0.00 173.10 173.19 1juh s SER 105 N 0.99 5.64 -0.50 1.64 0.15 0.81 -0.97 113.70 121.45 1juh s SER 105 Ca -0.10 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.61 1juh s SER 105 Cb -0.14 -1.99 0.14 0.00 -1.71 0.00 0.00 66.02 62.32 1juh s SER 105 CO -0.00 0.11 0.29 -0.69 1.20 0.00 0.00 173.24 174.15 1juh s VAL 106 N 0.78 1.92 1.17 4.45 1.01 0.36 -2.78 120.40 127.31 1juh s VAL 106 Ca 0.05 -3.07 -0.13 0.00 0.00 0.00 0.00 61.98 58.83 1juh s VAL 106 Cb -0.13 -2.32 0.28 0.00 0.00 0.00 0.00 36.38 34.21 1juh s VAL 106 CO 0.02 -0.91 0.94 -2.65 0.00 0.00 0.00 175.10 172.51 1juh n PRO 107 N 3.11 -2.41 -1.69 2.72 -0.02 -1.26 -1.03 135.00 134.42 1juh n PRO 107 Ca 0.11 -0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 60.53 1juh n PRO 107 Cb 0.35 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 -4.76 1.34 -2.06 -0.52 1.74 -1.26 -2.80 116.66 108.35 1juh n ARG 108 Ca 0.03 0.50 -0.18 0.00 -0.77 0.00 0.00 57.85 57.44 1juh n ARG 108 Cb 0.54 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 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 -0.97 -5.14 -4.39 0.55 3.02 0.23 -4.85 115.26 103.70 1juh n ASN 109 Ca 0.12 0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.47 1juh n ASN 109 Cb 0.45 -4.21 -0.13 0.00 -0.61 0.00 0.00 39.78 35.28 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 -2.80 3.47 0.23 2.41 1.01 -1.12 -4.59 120.40 119.01 1juh s VAL 110 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1juh s VAL 110 Cb 0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 1juh s VAL 110 CO 0.00 0.47 1.13 -0.89 0.00 0.00 0.00 175.10 175.81 1juh s THR 111 N 0.83 3.57 0.16 3.92 2.01 -0.08 -4.50 115.64 121.55 1juh s THR 111 Ca -0.02 1.46 -0.18 0.00 0.31 0.00 0.00 61.69 63.26 1juh s THR 111 Cb -0.15 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.47 1juh s THR 111 CO 0.01 0.30 0.49 -1.38 -0.69 0.00 0.00 174.62 173.35 1juh s HIS 112 N -0.69 -0.25 0.28 4.92 -3.43 -0.61 -1.17 115.29 114.35 1juh s HIS 112 Ca 0.48 -0.05 -0.21 0.00 -0.80 0.00 0.00 55.06 54.47 1juh s HIS 112 Cb -0.32 0.38 0.03 0.00 -1.43 0.00 0.00 32.58 31.24 1juh s HIS 112 CO 0.39 -0.81 0.75 -0.08 -2.00 0.00 0.00 174.74 172.99 1juh s THR 113 N -3.82 0.00 0.17 -5.38 -1.32 -1.01 -2.10 115.64 102.19 1juh s THR 113 Ca 0.05 -0.96 -0.11 0.00 -1.21 0.00 0.00 61.69 59.46 1juh s THR 113 Cb 0.00 -2.08 -0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1juh s THR 113 CO -0.09 0.00 0.33 0.72 -2.21 0.00 0.00 174.62 173.38 1juh s PHE 114 N -3.71 0.28 -0.09 9.09 -0.12 -1.26 -1.38 117.98 120.80 1juh s PHE 114 Ca 0.12 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 56.31 1juh s PHE 114 Cb -0.05 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1juh s PHE 114 CO 0.07 -0.76 0.19 -1.14 -0.05 0.00 0.00 175.22 173.53 1juh s GLN 115 N -3.95 0.14 -0.03 1.99 0.74 -0.17 -0.19 119.66 118.20 1juh s GLN 115 Ca 0.15 0.46 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 1juh s GLN 115 Cb 0.02 -0.16 -0.03 0.00 1.10 0.00 0.00 33.01 33.95 1juh s GLN 115 CO -0.01 -0.18 1.08 0.42 -0.55 0.00 0.00 175.29 176.05 1juh s ILE 116 N 1.32 4.55 -0.24 -2.34 -1.09 -1.26 -0.32 121.20 121.82 1juh s ILE 116 Ca -0.08 1.84 -0.15 0.00 -2.23 0.00 0.00 60.65 60.03 1juh s ILE 116 Cb -0.11 -4.18 -0.10 0.00 -1.58 0.00 0.00 42.46 36.49 1juh s ILE 116 CO -0.07 0.08 -0.35 1.67 -1.23 0.00 0.00 174.94 175.04 1juh n GLN 117 N 4.46 0.55 -3.31 2.79 7.27 0.20 -1.79 117.38 127.54 1juh n GLN 117 Ca 0.08 0.24 -0.30 0.00 0.07 0.00 0.00 57.00 57.09 1juh n GLN 117 Cb 0.48 -1.44 -0.04 0.00 2.41 0.00 0.00 30.24 31.65 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 -7.00 6.55 0.26 1.69 1.01 -1.04 -4.37 116.67 113.76 1juh s ASP 118 Ca -0.35 0.87 -0.02 0.00 0.71 0.00 0.00 52.55 53.76 1juh s ASP 118 Cb 0.12 -2.21 0.46 0.00 1.01 0.00 0.00 42.92 42.30 1juh s ASP 118 CO 0.46 -0.16 1.80 -0.65 0.21 0.00 0.00 175.17 176.83 1juh h PRO 119 N 2.05 0.76 -2.45 8.23 0.11 -1.90 -3.12 132.00 135.68 1juh h PRO 119 Ca -0.47 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 64.89 1juh h PRO 119 Cb 1.18 -0.17 -0.35 0.00 0.11 0.00 0.00 31.00 31.77 1juh h PRO 119 CO 0.67 0.50 0.16 -3.47 -0.21 0.00 0.00 178.00 175.66 1juh n ASP 120 N -4.76 5.48 -4.82 -2.05 2.03 -1.26 -4.13 116.55 107.05 1juh n ASP 120 Ca 0.16 -3.54 -0.37 0.00 0.52 0.00 0.00 54.79 51.56 1juh n ASP 120 Cb 0.34 -0.94 -0.06 0.00 -0.72 0.00 0.00 41.12 39.73 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 -3.35 5.25 -0.06 5.18 2.01 -1.17 -3.10 115.64 120.41 1juh s THR 121 Ca 0.39 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1juh s THR 121 Cb 0.15 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1juh s THR 121 CO -0.02 0.53 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.71 1juh s GLU 122 N -0.58 0.76 -0.14 4.92 2.12 -0.55 -1.97 118.70 123.26 1juh s GLU 122 Ca 0.19 -0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 1juh s GLU 122 Cb -0.14 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 1juh s GLU 122 CO 0.08 -0.17 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.91 1juh s MET 123 N 1.31 3.47 -0.22 4.30 -1.94 0.12 -0.93 119.30 125.41 1juh s MET 123 Ca -0.05 -0.60 -0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1juh s MET 123 Cb -0.13 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1juh s MET 123 CO -0.02 0.26 0.08 0.99 -0.01 0.00 0.00 175.02 176.32 1juh s THR 124 N 0.26 4.61 -0.12 2.05 2.01 0.12 -0.41 115.64 124.17 1juh s THR 124 Ca -0.06 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1juh s THR 124 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1juh s THR 124 CO 0.04 0.39 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.49 1juh s GLY 125 N 1.03 1.73 -0.19 4.40 0.00 0.10 -1.23 107.32 113.16 1juh s GLY 125 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1juh s GLY 125 CO 0.03 -0.33 -0.16 0.14 0.00 0.00 0.00 173.10 172.78 1juh s VAL 126 N -0.18 1.98 -0.08 1.40 1.01 -0.90 -0.75 120.40 122.88 1juh s VAL 126 Ca 0.03 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1juh s VAL 126 Cb -0.13 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1juh s VAL 126 CO 0.02 0.37 -0.23 -0.63 0.00 0.00 0.00 175.10 174.64 1juh s ILE 127 N 1.28 2.22 -0.05 2.22 1.01 -0.47 -1.82 121.20 125.60 1juh s ILE 127 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1juh s ILE 127 Cb -0.15 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1juh s ILE 127 CO -0.11 0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 174.60 1juh s VAL 128 N 0.05 1.01 1.10 2.92 1.01 -0.66 -0.94 120.40 124.89 1juh s VAL 128 Ca -0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1juh s VAL 128 Cb -0.15 -0.92 0.26 0.00 0.00 0.00 0.00 36.38 35.56 1juh s VAL 128 CO 0.06 0.32 1.24 -2.16 0.00 0.00 0.00 175.10 174.55 1juh s PRO 129 N 0.51 -0.46 0.75 2.72 0.04 -1.26 -0.23 135.00 137.07 1juh s PRO 129 Ca -0.10 -0.34 -0.11 0.00 0.04 0.00 0.00 61.00 60.49 1juh s PRO 129 Cb -0.13 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.74 1juh s PRO 129 CO 0.02 -3.16 1.09 0.20 0.04 0.00 0.00 177.00 175.19 1juh s GLY 130 N -4.49 1.63 0.00 0.56 0.00 -0.06 -4.43 107.32 100.54 1juh s GLY 130 Ca 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1juh s GLY 130 CO 0.55 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.45 1juh n GLY 131 N -2.35 0.35 0.27 0.20 0.00 -1.26 -4.76 105.19 97.64 1juh n GLY 131 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.94 -3.07 116.94 117.11 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 0.09 0.20 1.05 -2.23 0.00 0.00 178.31 177.42 1juh h GLU 133 N 0.00 0.00 -0.67 1.11 9.09 -1.95 -0.67 114.58 121.50 1juh h GLU 133 Ca -0.00 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.56 1juh h GLU 133 Cb 0.33 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.39 1juh h GLU 133 CO 0.01 0.00 0.46 -0.44 0.05 0.00 0.00 179.01 179.09 1juh h ASP 134 N 0.00 0.23 -0.57 3.06 3.32 -1.96 0.16 116.42 120.66 1juh h ASP 134 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1juh h ASP 134 Cb 0.39 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1juh h ASP 134 CO 0.00 0.12 0.32 0.25 -1.72 0.00 0.00 179.24 178.21 1juh h LEU 135 N 0.25 0.71 -0.56 1.55 7.12 -1.40 0.18 115.31 123.16 1juh h LEU 135 Ca 0.32 -0.09 -0.15 0.00 0.13 0.00 0.00 57.88 58.09 1juh h LEU 135 Cb 0.92 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 1juh h LEU 135 CO -0.07 0.60 -0.52 -0.26 -0.13 0.00 0.00 178.44 178.05 1juh h PHE 136 N 0.77 0.66 -0.13 1.25 0.04 -1.19 -1.60 116.94 116.74 1juh h PHE 136 Ca 0.20 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1juh h PHE 136 Cb 0.04 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1juh h PHE 136 CO -0.01 0.94 0.08 1.88 -0.60 0.00 0.00 178.31 180.60 1juh h TYR 137 N 0.42 0.17 0.38 -0.55 0.05 -0.95 0.12 116.97 116.60 1juh h TYR 137 Ca 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1juh h TYR 137 Cb 1.05 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 1juh h TYR 137 CO 0.04 0.12 -0.38 -0.92 -1.05 0.00 0.00 178.16 175.97 1juh h TYR 138 N 0.16 -1.05 0.00 4.88 3.20 -0.80 -3.04 116.97 120.33 1juh h TYR 138 Ca 0.05 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1juh h TYR 138 Cb -0.00 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1juh h TYR 138 CO -0.06 -0.53 -0.31 -0.07 -1.64 0.00 0.00 178.16 175.54 1juh h LEU 139 N -0.79 0.00-10.59 2.82 3.38 -1.34 -3.46 115.31 105.33 1juh h LEU 139 Ca -0.03 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1juh h LEU 139 Cb 0.71 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.54 1juh h LEU 139 CO -0.07 0.31 0.27 -0.83 0.09 0.00 0.00 178.44 178.21 1juh s GLY 140 N -4.35 1.67 -0.13 0.83 0.00 0.40 -4.89 107.32 100.85 1juh s GLY 140 Ca 0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 1juh s GLY 140 CO 0.69 -0.46 -0.12 -1.59 0.00 0.00 0.00 173.10 171.62 1juh s THR 141 N -3.32 3.11 0.40 0.90 2.01 -0.21 -4.90 115.64 113.63 1juh s THR 141 Ca 0.61 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 61.71 1juh s THR 141 Cb -0.11 -2.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.99 1juh s THR 141 CO 0.46 0.53 1.19 -0.46 -0.69 0.00 0.00 174.62 175.64 1juh n ASN 142 N 3.47 2.15 -4.07 3.53 6.94 -1.26 -0.84 115.26 125.18 1juh n ASN 142 Ca -0.18 1.10 -0.27 0.00 -0.02 0.00 0.00 54.58 55.21 1juh n ASN 142 Cb 0.53 -1.45 -0.17 0.00 -2.36 0.00 0.00 39.78 36.33 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 -1.20 1.54 -0.03 -2.53 0.00 -0.77 -4.76 121.76 114.00 1juh s ALA 143 Ca 0.61 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1juh s ALA 143 Cb -0.54 -0.67 -0.32 0.00 0.00 0.00 0.00 23.12 21.59 1juh s ALA 143 CO 0.58 0.12 0.85 1.15 0.00 0.00 0.00 175.76 178.46 1juh h THR 144 N 5.91 1.32 -6.85 0.00 2.02 -1.94 -3.40 112.91 109.96 1juh h THR 144 Ca -0.28 -2.56 -0.54 0.00 0.77 0.00 0.00 66.41 63.80 1juh h THR 144 Cb 1.20 3.04 -0.01 0.00 -1.74 0.00 0.00 68.15 70.64 1juh h THR 144 CO 0.47 0.75 -1.06 -0.67 0.37 0.00 0.00 175.52 175.39 1juh n ASP 145 N -3.93 -4.41 -0.32 4.18 -0.08 -1.26 -4.83 116.55 105.90 1juh n ASP 145 Ca -0.17 -1.11 0.12 0.00 -1.51 0.00 0.00 54.79 52.11 1juh n ASP 145 Cb 0.94 -1.56 0.35 0.00 2.34 0.00 0.00 41.12 43.19 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 -1.28 0.79 -0.00 5.18 2.02 -1.99 -0.95 112.91 116.68 1juh h THR 146 Ca -0.67 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1juh h THR 146 Cb 1.39 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1juh h THR 146 CO 0.43 0.14 -0.11 0.35 0.37 0.00 0.00 175.52 176.69 1juh n THR 147 N -4.63 0.00 -2.52 3.16 -2.24 -1.26 -4.93 114.28 101.86 1juh n THR 147 Ca 0.20 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 1juh n THR 147 Cb 0.51 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.02 -1.10 -2.10 4.78 8.25 -0.36 -4.97 115.22 118.70 1juh n HIS 148 Ca 0.14 0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.35 1juh n HIS 148 Cb 0.28 -3.65 -0.00 0.00 1.12 0.00 0.00 29.99 27.74 1juh n HIS 148 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1juh s THR 149 N -2.94 2.73 0.19 1.59 -1.32 -1.26 -4.92 115.64 109.72 1juh s THR 149 Ca 0.08 0.63 -0.15 0.00 -1.21 0.00 0.00 61.69 61.04 1juh s THR 149 Cb -0.04 -3.36 0.18 0.00 -1.51 0.00 0.00 72.50 67.78 1juh s THR 149 CO 0.10 0.07 1.63 -0.65 -2.21 0.00 0.00 174.62 173.56 1juh h PRO 150 N 2.49 -0.02 -4.04 7.08 0.11 -1.95 -3.43 132.00 132.24 1juh h PRO 150 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1juh h PRO 150 Cb 1.25 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1juh h PRO 150 CO 0.62 -0.02 -0.51 1.52 -0.21 0.00 0.00 178.00 179.40 1juh s TYR 151 N -6.21 0.38 -0.14 0.65 -0.85 -1.26 -4.66 117.35 105.26 1juh s TYR 151 Ca -0.14 -0.85 -0.29 0.00 -0.52 0.00 0.00 57.07 55.27 1juh s TYR 151 Cb 0.18 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1juh s TYR 151 CO 0.72 -0.49 1.25 0.42 -1.52 0.00 0.00 175.55 175.93 1juh s ILE 152 N -3.91 4.27 0.71 -3.49 -1.09 -1.26 -5.00 121.20 111.42 1juh s ILE 152 Ca 0.09 1.55 -0.14 0.00 -2.23 0.00 0.00 60.65 59.92 1juh s ILE 152 Cb 0.06 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1juh s ILE 152 CO -0.08 -0.11 1.12 -2.16 -1.23 0.00 0.00 174.94 172.47 1juh s PRO 153 N 3.24 2.51 0.00 2.79 0.04 -1.26 -5.04 135.00 137.28 1juh s PRO 153 Ca 0.55 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1juh s PRO 153 Cb -0.22 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1juh s PRO 153 CO 0.16 -1.48 0.00 -1.13 0.04 0.00 0.00 177.00 174.59 1juh n SER 154 N -2.80 0.00 0.05 6.66 3.41 -1.26 -5.21 113.62 114.47 1juh n SER 154 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1juh n SER 154 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1juh n SER 154 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1juh n ILE 169 N 0.00 0.41 -0.21 -1.33 5.41 -1.26 -5.16 119.36 117.22 1juh n ILE 169 Ca 0.00 0.13 -0.01 0.00 1.00 0.00 0.00 62.75 63.87 1juh n ILE 169 Cb 0.00 -1.12 0.10 0.00 -0.71 0.00 0.00 39.64 37.91 1juh n ILE 169 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1juh h SER 170 N 0.00 0.35 -0.90 4.38 0.87 -2.02 -2.67 113.55 113.57 1juh h SER 170 Ca 0.00 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 60.80 1juh h SER 170 Cb 0.27 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.12 1juh h SER 170 CO 0.00 0.22 0.45 0.71 -0.53 0.00 0.00 176.83 177.68 1juh h THR 171 N 0.50 0.61 0.00 2.23 1.35 -2.05 -0.28 112.91 115.27 1juh h THR 171 Ca 0.29 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1juh h THR 171 Cb 0.29 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1juh h THR 171 CO -0.25 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.30 1juh n LEU 172 N -4.93 0.00 0.24 3.87 4.77 -1.01 -3.34 117.00 116.60 1juh n LEU 172 Ca 0.20 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1juh n LEU 172 Cb 0.56 -0.31 0.71 0.00 -2.33 0.00 0.00 43.42 42.05 1juh n LEU 172 CO 0.17 -0.03 1.09 1.56 -1.33 0.00 0.00 177.39 178.86 1juh h GLN 173 N 0.00 0.00 0.00 3.23 4.20 -0.89 0.05 115.11 121.71 1juh h GLN 173 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1juh h GLN 173 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1juh h GLN 173 CO 0.00 0.00 -0.12 1.03 -0.67 0.00 0.00 178.83 179.07 1juh h SER 174 N 0.00 0.00 -0.68 1.46 0.87 -1.73 -1.00 113.55 112.47 1juh h SER 174 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1juh h SER 174 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1juh h SER 174 CO -0.00 0.12 0.00 0.49 -0.53 0.00 0.00 176.83 176.91 1juh n PHE 175 N -3.57 1.38 -3.30 2.24 3.01 -0.04 -4.94 117.46 112.24 1juh n PHE 175 Ca -0.02 -0.57 -0.17 0.00 1.01 0.00 0.00 57.45 57.70 1juh n PHE 175 Cb 0.25 -0.18 0.07 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.29 -4.10 -3.98 4.37 2.03 -0.38 -4.89 116.55 110.89 1juh n ASP 176 Ca 0.26 -0.47 -0.29 0.00 0.52 0.00 0.00 54.79 54.81 1juh n ASP 176 Cb 0.83 -4.25 -0.17 0.00 -0.72 0.00 0.00 41.12 36.81 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 -3.28 1.37 -0.21 5.18 1.01 -0.93 -4.28 120.40 119.26 1juh s VAL 177 Ca 0.28 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1juh s VAL 177 Cb -0.12 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1juh s VAL 177 CO 0.60 0.42 -0.15 -0.31 0.00 0.00 0.00 175.10 175.66 1juh s TYR 178 N 1.57 2.94 0.50 5.22 1.51 -0.25 -2.85 117.35 125.99 1juh s TYR 178 Ca 0.05 -1.75 -0.23 0.00 -1.01 0.00 0.00 57.07 54.13 1juh s TYR 178 Cb -0.13 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1juh s TYR 178 CO -0.10 -0.80 1.33 0.00 -1.11 0.00 0.00 175.55 174.87 1juh s ALA 179 N 1.26 2.98 -0.54 3.71 0.00 -1.26 -1.28 121.76 126.63 1juh s ALA 179 Ca 0.01 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.31 1juh s ALA 179 Cb -0.15 -3.53 0.22 0.00 0.00 0.00 0.00 23.12 19.66 1juh s ALA 179 CO -0.09 -1.15 0.56 0.39 0.00 0.00 0.00 175.76 175.47 1juh n GLU 180 N -0.64 1.45 0.33 0.00 -0.58 -0.89 -4.85 120.64 115.46 1juh n GLU 180 Ca 0.08 -3.95 0.22 0.00 -0.42 0.00 0.00 57.16 53.09 1juh n GLU 180 Cb 0.45 -1.85 1.14 0.00 -0.57 0.00 0.00 31.44 30.61 1juh n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1juh h LEU 181 N 4.60 0.00 -0.17 -4.62 4.07 -1.94 -2.05 115.31 115.20 1juh h LEU 181 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1juh h LEU 181 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1juh h LEU 181 CO 0.62 0.00 -0.12 -1.54 -1.08 0.00 0.00 178.44 176.32 1juh n SER 182 N -3.12 0.38 -4.70 -0.43 3.41 -1.26 -4.83 113.62 103.08 1juh n SER 182 Ca -0.02 -0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 1juh n SER 182 Cb 0.11 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.59 3.56 -0.25 7.33 5.36 -0.77 -5.03 117.98 125.59 1juh s PHE 183 Ca 0.26 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.79 1juh s PHE 183 Cb 0.20 -3.09 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 1juh s PHE 183 CO 0.50 -0.11 -0.11 0.99 -1.46 0.00 0.00 175.22 175.02 1juh s THR 184 N 1.53 2.23 0.15 0.12 2.01 -1.26 -4.94 115.64 115.47 1juh s THR 184 Ca 0.47 -1.51 -0.33 0.00 0.31 0.00 0.00 61.69 60.63 1juh s THR 184 Cb -0.19 -2.26 -0.13 0.00 0.01 0.00 0.00 72.50 69.93 1juh s THR 184 CO 0.21 0.05 1.67 -2.65 -0.69 0.00 0.00 174.62 173.21 1juh n PRO 185 N 4.48 2.39 -2.05 4.92 -0.02 -1.26 -4.92 135.00 138.54 1juh n PRO 185 Ca -0.15 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 1juh n PRO 185 Cb 0.43 -2.68 0.03 0.00 -0.02 0.00 0.00 33.50 31.27 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 1.49 3.06 -0.18 -0.52 1.70 -1.26 -4.97 118.95 118.27 1juh s ARG 186 Ca 0.80 1.81 0.13 0.00 -0.47 0.00 0.00 55.73 58.00 1juh s ARG 186 Cb -0.61 -1.97 0.42 0.00 -0.57 0.00 0.00 34.95 32.22 1juh s ARG 186 CO 0.38 -1.14 1.21 0.25 -1.08 0.00 0.00 175.30 174.92 1juh n THR 187 N -1.49 1.90 -1.54 4.99 -2.24 -1.26 -4.71 114.28 109.94 1juh n THR 187 Ca 0.13 -2.95 -0.16 0.00 -2.27 0.00 0.00 64.05 58.80 1juh n THR 187 Cb 0.50 -0.07 0.14 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.88 4.08 -4.74 3.42 5.75 -1.26 -5.02 116.55 117.89 1juh n ASP 188 Ca 0.18 -3.77 -0.41 0.00 -0.01 0.00 0.00 54.79 50.77 1juh n ASP 188 Cb 0.76 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 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 -3.84 2.74 -0.09 2.12 2.01 -1.26 -4.74 115.64 112.59 1juh s THR 189 Ca 0.51 0.62 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 1juh s THR 189 Cb 0.44 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.58 1juh s THR 189 CO 0.02 0.10 0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1juh s VAL 190 N 0.00 -0.03 -1.41 3.82 1.01 -0.81 -4.86 120.40 118.11 1juh s VAL 190 Ca 0.59 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 1juh s VAL 190 Cb -0.41 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 35.70 1juh s VAL 190 CO 0.43 0.05 0.64 0.59 0.00 0.00 0.00 175.10 176.80 1juh n ASN 191 N 3.85 -4.62 -0.01 3.32 3.02 -1.26 -2.13 115.26 117.43 1juh n ASN 191 Ca -0.22 -0.45 -0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1juh n ASN 191 Cb 0.54 -3.76 -0.00 0.00 -0.61 0.00 0.00 39.78 35.95 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 -1.39 0.47 3.28 7.41 0.00 -1.26 -4.97 105.19 108.73 1juh n GLY 192 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.93 0.09 -0.21 2.61 -1.32 -0.91 -0.46 115.64 113.51 1juh s THR 193 Ca 0.00 -0.74 -0.27 0.00 -1.21 0.00 0.00 61.69 59.47 1juh s THR 193 Cb 0.00 -1.19 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 1juh s THR 193 CO 0.00 -0.41 0.74 0.00 -2.21 0.00 0.00 174.62 172.73 1juh s ALA 194 N -3.68 -1.79 1.13 11.08 0.00 -0.84 -1.93 121.76 125.72 1juh s ALA 194 Ca 0.03 1.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 1juh s ALA 194 Cb 0.02 -0.86 0.25 0.00 0.00 0.00 0.00 23.12 22.53 1juh s ALA 194 CO -0.11 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.15 1juh s PRO 195 N -0.10 -0.63 0.52 0.00 0.04 -1.26 -1.49 135.00 132.08 1juh s PRO 195 Ca -0.03 0.21 0.23 0.00 0.04 0.00 0.00 61.00 61.45 1juh s PRO 195 Cb -0.04 -1.64 1.41 0.00 0.04 0.00 0.00 34.50 34.27 1juh s PRO 195 CO 0.03 -3.38 2.11 0.00 0.04 0.00 0.00 177.00 175.80 1juh h ALA 196 N -2.35 1.56 -0.34 8.56 0.00 -1.89 -3.19 119.26 121.60 1juh h ALA 196 Ca -0.50 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 1juh h ALA 196 Cb 1.32 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1juh h ALA 196 CO 0.45 0.11 0.23 0.27 0.00 0.00 0.00 179.25 180.31 1juh n ASN 197 N -4.01 6.11 -4.53 0.00 6.94 -1.26 -4.88 115.26 113.64 1juh n ASN 197 Ca -0.02 -2.91 -0.25 0.00 -0.02 0.00 0.00 54.58 51.38 1juh n ASN 197 Cb 0.18 -1.17 -0.11 0.00 -2.36 0.00 0.00 39.78 36.32 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 -1.44 1.73 -0.21 5.53 -4.23 -1.21 -5.13 115.64 110.68 1juh s THR 198 Ca 0.38 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1juh s THR 198 Cb 0.25 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1juh s THR 198 CO -0.06 -0.08 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.13 1juh s VAL 199 N -2.92 2.51 -0.24 2.29 1.01 -1.26 -5.06 120.40 116.73 1juh s VAL 199 Ca 0.34 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1juh s VAL 199 Cb 0.08 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.37 1juh s VAL 199 CO 0.16 0.37 0.18 0.86 0.00 0.00 0.00 175.10 176.66 1juh s TRP 200 N 1.31 -0.01 -0.87 5.22 -0.00 -1.26 -4.83 118.94 118.49 1juh s TRP 200 Ca 0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 56.10 55.80 1juh s TRP 200 Cb -0.15 -0.63 0.00 0.00 -0.00 0.00 0.00 33.47 32.69 1juh s TRP 200 CO -0.08 -0.71 0.00 0.72 -0.00 0.00 0.00 176.95 176.88 1juh n HIS 201 N 5.29 0.00 -0.40 5.86 8.25 -1.26 -4.83 115.22 128.13 1juh n HIS 201 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1juh n HIS 201 Cb 0.46 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.73 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 -2.60 0.10 0.00 1.59 -2.24 -1.26 -5.11 114.28 104.76 1juh n THR 202 Ca -0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1juh n THR 202 Cb 0.35 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.05 -0.48 3.76 3.38 0.00 -1.26 -5.12 105.19 105.41 1juh n GLY 203 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 2.98 -0.06 4.61 0.00 -1.26 -4.79 121.76 121.24 1juh s ALA 204 Ca 0.00 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.40 1juh s ALA 204 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1juh s ALA 204 CO 0.00 -1.31 -0.21 -0.80 0.00 0.00 0.00 175.76 173.45 1juh s ASN 205 N -0.78 3.45 0.21 0.00 0.02 -0.12 -4.96 114.94 112.75 1juh s ASN 205 Ca 0.67 -0.39 0.07 0.00 -1.02 0.00 0.00 52.86 52.19 1juh s ASN 205 Cb -0.42 -0.85 -0.04 0.00 0.02 0.00 0.00 41.25 39.97 1juh s ASN 205 CO 0.51 0.28 0.08 0.00 0.02 0.00 0.00 177.10 177.99 1juh s ALA 206 N -0.34 3.38 0.68 0.60 0.00 -1.26 -3.96 121.76 120.87 1juh s ALA 206 Ca 0.02 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 1juh s ALA 206 Cb -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1juh s ALA 206 CO 0.02 0.39 1.07 -0.51 0.00 0.00 0.00 175.76 176.73 1juh s LEU 207 N -3.33 3.21 0.52 0.00 1.02 -1.26 -4.77 118.68 114.06 1juh s LEU 207 Ca 0.30 1.70 -0.22 0.00 0.02 0.00 0.00 54.13 55.94 1juh s LEU 207 Cb -0.09 -4.51 -0.07 0.00 0.02 0.00 0.00 46.19 41.55 1juh s LEU 207 CO 0.22 -1.48 1.19 0.00 0.02 0.00 0.00 176.35 176.30 1juh n ALA 208 N -2.93 0.97 0.30 4.21 0.00 -1.26 -4.88 120.51 116.92 1juh n ALA 208 Ca 0.08 0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.82 1juh n ALA 208 Cb 0.53 -2.24 0.66 0.00 0.00 0.00 0.00 19.45 18.41 1juh n ALA 208 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1juh h SER 209 N 1.33 0.00 -5.19 0.00 0.02 -1.95 -3.46 113.55 104.30 1juh h SER 209 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1juh h SER 209 Cb 1.32 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.77 1juh h SER 209 CO 0.56 0.00 -0.07 0.28 -1.14 0.00 0.00 176.83 176.46 1juh s THR 210 N -3.61 0.01 0.57 -2.27 -1.32 -1.26 -5.01 115.64 102.75 1juh s THR 210 Ca 0.02 -1.25 -0.18 0.00 -1.21 0.00 0.00 61.69 59.06 1juh s THR 210 Cb 0.09 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1juh s THR 210 CO 0.51 -0.04 1.13 0.00 -2.21 0.00 0.00 174.62 174.00 1juh s ALA 211 N -3.98 2.64 0.00 11.08 0.00 -1.22 -3.95 121.76 126.33 1juh s ALA 211 Ca 0.18 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1juh s ALA 211 Cb -0.01 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1juh s ALA 211 CO 0.06 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1juh n GLY 212 N 0.00 1.48 3.67 0.00 0.00 -1.26 -5.06 105.19 104.01 1juh n GLY 212 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.70 5.46 0.70 1.61 1.01 -1.25 -4.81 116.67 117.69 1juh s ASP 213 Ca 0.00 0.13 -0.11 0.00 0.71 0.00 0.00 52.55 53.28 1juh s ASP 213 Cb 0.00 -1.75 0.01 0.00 1.01 0.00 0.00 42.92 42.19 1juh s ASP 213 CO 0.00 0.29 1.07 -2.16 0.21 0.00 0.00 175.17 174.58 1juh s PRO 214 N -0.34 2.85 0.18 8.23 0.04 -1.26 -4.70 135.00 140.00 1juh s PRO 214 Ca 0.08 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1juh s PRO 214 Cb -0.12 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1juh s PRO 214 CO 0.02 -1.17 0.54 1.52 0.04 0.00 0.00 177.00 177.95 1juh s TYR 215 N -2.93 -0.29 0.00 0.56 1.13 -1.12 -4.87 117.35 109.84 1juh s TYR 215 Ca 0.59 -0.01 0.02 0.00 -1.41 0.00 0.00 57.07 56.26 1juh s TYR 215 Cb -0.15 0.45 -0.01 0.00 -1.10 0.00 0.00 41.96 41.15 1juh s TYR 215 CO 0.53 -0.87 -0.06 -0.06 -2.51 0.00 0.00 175.55 172.57 1juh s PHE 216 N -3.82 0.56 -0.14 -3.49 0.40 -1.26 -0.14 117.98 110.09 1juh s PHE 216 Ca 0.05 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1juh s PHE 216 Cb -0.01 -0.35 0.02 0.00 0.51 0.00 0.00 43.02 43.19 1juh s PHE 216 CO -0.08 -0.02 -0.12 0.42 0.70 0.00 0.00 175.22 176.13 1juh s ILE 217 N -0.37 1.39 0.41 0.64 -1.09 -0.15 -4.76 121.20 117.27 1juh s ILE 217 Ca 0.00 -0.54 -0.22 0.00 -2.23 0.00 0.00 60.65 57.66 1juh s ILE 217 Cb -0.04 -1.34 -0.11 0.00 -1.58 0.00 0.00 42.46 39.39 1juh s ILE 217 CO -0.00 0.41 0.95 0.00 -1.23 0.00 0.00 174.94 175.07 1juh s ALA 218 N 1.56 3.07 -0.34 9.38 0.00 -1.26 -1.13 121.76 133.05 1juh s ALA 218 Ca 0.05 0.43 -0.38 0.00 0.00 0.00 0.00 51.96 52.06 1juh s ALA 218 Cb -0.13 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1juh s ALA 218 CO -0.10 0.13 2.04 -1.71 0.00 0.00 0.00 175.76 176.12 1juh n ASN 219 N -0.39 2.07 0.00 0.00 5.15 -1.25 -1.11 115.26 119.74 1juh n ASN 219 Ca 0.06 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 1juh n ASN 219 Cb 0.53 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 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 5.89 1.30 0.38 8.20 0.00 -1.26 -4.91 105.19 114.79 1juh n GLY 220 Ca 0.38 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.38 1.61 7.02 -0.26 -4.84 117.44 116.58 1juh n TRP 221 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 1juh n TRP 221 Cb 0.00 -0.03 0.14 0.00 -2.42 0.00 0.00 31.31 29.00 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 1.42 0.01 3.76 6.99 0.00 -1.26 -0.94 105.19 115.17 1juh n GLY 222 Ca 0.09 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 -5.21 3.55 0.06 1.61 0.04 -1.25 -4.89 135.00 128.90 1juh s PRO 223 Ca 0.66 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.75 1juh s PRO 223 Cb -0.03 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1juh s PRO 223 CO 0.44 -0.80 -0.07 0.15 0.04 0.00 0.00 177.00 176.76 1juh s LYS 224 N -2.69 0.63 -0.00 4.56 1.02 -1.25 -3.78 119.74 118.23 1juh s LYS 224 Ca 0.65 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.68 1juh s LYS 224 Cb -0.35 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1juh s LYS 224 CO 0.43 0.01 -0.07 0.71 -0.92 0.00 0.00 175.35 175.51 1juh s TYR 225 N -2.35 0.66 -0.22 3.18 1.51 -0.34 -1.19 117.35 118.60 1juh s TYR 225 Ca -0.01 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1juh s TYR 225 Cb -0.03 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.36 1juh s TYR 225 CO -0.02 -0.01 0.06 -1.17 -1.11 0.00 0.00 175.55 173.29 1juh s LEU 226 N -0.21 3.54 -0.16 -1.29 2.96 0.75 -0.83 118.68 123.45 1juh s LEU 226 Ca 0.02 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1juh s LEU 226 Cb -0.03 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1juh s LEU 226 CO -0.00 0.05 -0.04 0.21 -1.32 0.00 0.00 176.35 175.25 1juh s ASN 227 N 1.10 4.79 -0.10 3.68 3.84 0.79 -1.34 114.94 127.70 1juh s ASN 227 Ca 0.04 -0.14 0.13 0.00 0.21 0.00 0.00 52.86 53.11 1juh s ASN 227 Cb -0.14 -1.78 0.34 0.00 -0.55 0.00 0.00 41.25 39.11 1juh s ASN 227 CO 0.03 0.16 1.25 -1.54 -2.79 0.00 0.00 177.10 174.21 1juh n SER 228 N 3.58 2.99 0.05 -4.21 3.41 -1.26 -1.14 113.62 117.04 1juh n SER 228 Ca -0.17 -2.67 -0.09 0.00 -0.26 0.00 0.00 58.87 55.68 1juh n SER 228 Cb 0.52 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1juh n SER 228 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1juh h GLN 229 N 1.09 0.38 -0.54 4.33 5.75 -1.94 -3.36 115.11 120.81 1juh h GLN 229 Ca 0.00 -0.29 -0.38 0.00 -0.15 0.00 0.00 58.65 57.83 1juh h GLN 229 Cb 1.03 0.05 -0.38 0.00 1.07 0.00 0.00 27.48 29.26 1juh h GLN 229 CO 0.08 0.92 -0.90 0.66 -2.65 0.00 0.00 178.83 176.94 1juh n TYR 230 N -3.86 1.89 0.00 3.99 4.01 -1.26 -5.00 117.16 116.94 1juh n TYR 230 Ca -0.04 -2.04 0.00 0.00 -0.16 0.00 0.00 57.90 55.66 1juh n TYR 230 Cb 0.67 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.65 -1.02 3.63 2.72 0.00 -1.26 -4.66 105.19 103.95 1juh n GLY 231 Ca 0.28 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 3.23 -0.03 1.61 2.02 -1.26 -4.16 117.35 118.76 1juh s TYR 232 Ca 0.00 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1juh s TYR 232 Cb 0.00 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 1juh s TYR 232 CO 0.00 0.17 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.42 1juh s GLN 233 N 0.25 0.89 -0.21 -0.62 -0.21 -0.30 -1.10 119.66 118.36 1juh s GLN 233 Ca 0.03 -0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 1juh s GLN 233 Cb -0.12 -0.84 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 1juh s GLN 233 CO 0.01 0.05 -0.06 0.42 -2.12 0.00 0.00 175.29 173.59 1juh s ILE 234 N 0.39 3.25 -0.22 1.08 1.01 0.22 -0.15 121.20 126.79 1juh s ILE 234 Ca -0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1juh s ILE 234 Cb -0.10 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1juh s ILE 234 CO 0.00 0.44 0.13 -0.69 0.00 0.00 0.00 174.94 174.83 1juh s VAL 235 N 1.36 5.29 -0.50 2.92 1.01 -0.01 -0.55 120.40 129.92 1juh s VAL 235 Ca 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1juh s VAL 235 Cb -0.14 -3.44 0.13 0.00 0.00 0.00 0.00 36.38 32.93 1juh s VAL 235 CO -0.03 0.40 0.30 0.00 0.00 0.00 0.00 175.10 175.76 1juh s ALA 236 N 0.71 3.33 0.45 5.51 0.00 -0.23 -1.19 121.76 130.33 1juh s ALA 236 Ca 0.07 -2.88 -0.26 0.00 0.00 0.00 0.00 51.96 48.89 1juh s ALA 236 Cb -0.12 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 1juh s ALA 236 CO 0.01 -1.93 1.44 -2.14 0.00 0.00 0.00 175.76 173.14 1juh s PRO 237 N 0.54 3.71 -0.05 0.00 0.02 -1.25 -1.75 135.00 136.22 1juh s PRO 237 Ca 0.13 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1juh s PRO 237 Cb -0.22 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 1juh s PRO 237 CO -0.04 -0.81 -0.05 1.19 -0.33 0.00 0.00 177.00 176.96 1juh n PHE 238 N -0.15 0.00 -4.26 6.54 3.72 0.77 -4.77 117.46 119.32 1juh n PHE 238 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1juh n PHE 238 Cb 0.41 -0.17 -0.16 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.09 0.74 0.49 -4.37 1.01 -0.10 -4.95 120.40 111.14 1juh s VAL 239 Ca -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1juh s VAL 239 Cb 0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1juh s VAL 239 CO 0.09 0.28 0.03 0.42 0.00 0.00 0.00 175.10 175.92 1juh s THR 240 N 0.94 1.04 0.42 3.92 -4.23 -1.26 -1.94 115.64 114.52 1juh s THR 240 Ca -0.10 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.57 1juh s THR 240 Cb -0.15 -2.19 0.37 0.00 1.34 0.00 0.00 72.50 71.87 1juh s THR 240 CO 0.00 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.97 1juh h ALA 241 N 1.44 2.15 -0.64 3.99 0.00 -1.91 -0.27 119.26 124.02 1juh h ALA 241 Ca -0.42 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1juh h ALA 241 Cb 1.31 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1juh h ALA 241 CO 0.70 -0.40 0.31 1.15 0.00 0.00 0.00 179.25 181.02 1juh h THR 242 N 0.42 0.88 0.05 0.00 2.02 -1.96 -0.65 112.91 113.68 1juh h THR 242 Ca 0.43 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 67.13 1juh h THR 242 Cb 1.01 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1juh h THR 242 CO -0.15 0.10 -1.52 1.56 0.37 0.00 0.00 175.52 175.88 1juh h GLN 243 N 0.56 0.12 -0.14 6.66 7.50 -1.59 -3.22 115.11 124.99 1juh h GLN 243 Ca 0.30 -0.20 -0.21 0.00 0.50 0.00 0.00 58.65 59.05 1juh h GLN 243 Cb 0.28 0.07 0.01 0.00 0.05 0.00 0.00 27.48 27.89 1juh h GLN 243 CO -0.23 0.89 -0.73 0.00 -1.50 0.00 0.00 178.83 177.25 1juh h ALA 244 N 0.73 0.27 -0.54 3.87 0.00 -0.92 -3.42 119.26 119.26 1juh h ALA 244 Ca -0.23 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1juh h ALA 244 Cb 1.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1juh h ALA 244 CO 0.12 0.62 0.00 1.04 0.00 0.00 0.00 179.25 181.03 1juh n GLN 245 N -4.00 0.00 0.03 0.00 1.13 -0.27 -1.34 117.38 112.93 1juh n GLN 245 Ca -0.08 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.04 1juh n GLN 245 Cb 0.72 0.00 0.25 0.00 0.11 0.00 0.00 30.24 31.32 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 2.34 0.11 0.22 1.08 5.75 -1.26 -1.34 116.55 123.46 1juh n ASP 246 Ca 0.00 0.54 0.15 0.00 -0.01 0.00 0.00 54.79 55.47 1juh n ASP 246 Cb 0.00 -0.56 0.61 0.00 -1.03 0.00 0.00 41.12 40.14 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 -5.98 2.12 1.35 -1.59 -3.47 112.91 105.34 1juh h THR 247 Ca 0.00 -0.40 -0.28 0.00 -0.55 0.00 0.00 66.41 65.17 1juh h THR 247 Cb 0.17 1.30 0.05 0.00 -1.73 0.00 0.00 68.15 67.94 1juh h THR 247 CO 0.00 0.00 -0.65 -3.20 -0.25 0.00 0.00 175.52 171.42 1juh n ASN 248 N -2.76 -6.20 -3.87 5.36 5.15 -0.45 -4.86 115.26 107.63 1juh n ASN 248 Ca 0.01 -0.66 -0.07 0.00 -0.60 0.00 0.00 54.58 53.26 1juh n ASN 248 Cb 0.28 -3.83 -0.03 0.00 -0.53 0.00 0.00 39.78 35.67 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 -3.19 -0.06 0.10 1.20 1.13 -1.21 -0.43 117.35 114.88 1juh s TYR 249 Ca 0.21 -0.38 0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1juh s TYR 249 Cb -0.06 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1juh s TYR 249 CO 0.82 -1.19 -0.10 0.95 -2.51 0.00 0.00 175.55 173.52 1juh s THR 250 N -3.91 0.94 -0.08 -3.49 -4.23 -0.28 -4.52 115.64 100.07 1juh s THR 250 Ca 0.14 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.89 1juh s THR 250 Cb -0.05 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.42 1juh s THR 250 CO 0.08 -0.58 0.24 -0.22 -0.54 0.00 0.00 174.62 173.60 1juh s LEU 251 N -2.50 1.09 0.00 4.79 2.96 -0.82 -1.44 118.68 122.76 1juh s LEU 251 Ca 0.06 0.43 -0.24 0.00 -0.22 0.00 0.00 54.13 54.16 1juh s LEU 251 Cb -0.02 0.84 0.08 0.00 0.50 0.00 0.00 46.19 47.59 1juh s LEU 251 CO -0.00 -0.12 1.14 -1.54 -1.32 0.00 0.00 176.35 174.51 1juh n SER 252 N 2.78 -1.53 -4.61 3.68 3.41 -0.58 -0.16 113.62 116.60 1juh n SER 252 Ca -0.14 -1.65 -0.29 0.00 -0.26 0.00 0.00 58.87 56.53 1juh n SER 252 Cb 0.58 2.46 -0.09 0.00 -0.26 0.00 0.00 64.21 66.90 1juh n SER 252 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1juh s THR 253 N -2.04 3.53 -0.13 6.66 -4.23 -0.72 -0.27 115.64 118.45 1juh s THR 253 Ca 0.26 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1juh s THR 253 Cb -0.02 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.15 1juh s THR 253 CO 0.03 0.04 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.39 1juh s ILE 254 N -1.39 1.44 -0.06 2.99 1.01 -0.33 -1.07 121.20 123.78 1juh s ILE 254 Ca 0.24 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1juh s ILE 254 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1juh s ILE 254 CO 0.16 0.43 0.13 -0.44 0.00 0.00 0.00 174.94 175.22 1juh s SER 255 N 1.38 6.13 -0.00 3.58 0.01 0.29 -1.10 113.70 123.99 1juh s SER 255 Ca 0.02 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.62 1juh s SER 255 Cb -0.13 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 1juh s SER 255 CO -0.08 0.34 -0.02 -0.04 0.41 0.00 0.00 173.24 173.85 1juh s MET 256 N -1.42 0.21 0.72 12.44 1.00 0.51 -0.61 119.30 132.14 1juh s MET 256 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.81 1juh s MET 256 Cb -0.12 -0.21 0.13 0.00 0.00 0.00 0.00 34.83 34.63 1juh s MET 256 CO 0.10 0.05 0.99 -1.54 0.00 0.00 0.00 175.02 174.62 1juh s SER 257 N -0.03 4.36 0.90 3.03 1.04 -0.26 -1.86 113.70 120.89 1juh s SER 257 Ca 0.01 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 1juh s SER 257 Cb -0.01 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.34 1juh s SER 257 CO -0.00 -1.86 1.13 0.42 0.98 0.00 0.00 173.24 173.91 1juh s THR 258 N -3.11 2.10 -0.18 2.02 -4.23 -1.25 -4.34 115.64 106.64 1juh s THR 258 Ca 0.66 0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 61.03 1juh s THR 258 Cb -0.05 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1juh s THR 258 CO 0.44 -0.04 0.49 -0.89 -0.54 0.00 0.00 174.62 174.08 1juh s THR 259 N -3.25 5.14 0.55 3.99 2.01 -1.26 -4.50 115.64 118.32 1juh s THR 259 Ca 0.64 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 1juh s THR 259 Cb -0.15 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1juh s THR 259 CO 0.54 0.22 1.26 -2.65 -0.69 0.00 0.00 174.62 173.30 1juh n PRO 260 N 4.48 1.48 0.33 4.92 -0.02 -1.26 -4.86 135.00 140.06 1juh n PRO 260 Ca -0.06 0.55 0.21 0.00 -2.02 0.00 0.00 63.50 62.18 1juh n PRO 260 Cb 0.51 -2.46 1.13 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.20 0.00 0.20 2.55 4.64 -2.02 -0.71 113.55 119.42 1juh h SER 261 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1juh h SER 261 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1juh h SER 261 CO 0.56 0.00 -0.22 0.35 -0.87 0.00 0.00 176.83 176.64 1juh n THR 262 N -3.30 0.00 -3.99 2.95 -2.24 -1.26 -4.89 114.28 101.55 1juh n THR 262 Ca -0.03 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1juh n THR 262 Cb 0.08 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.43 5.09 -0.13 2.28 1.01 -0.27 -5.08 120.40 120.86 1juh s VAL 263 Ca 0.26 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 1juh s VAL 263 Cb 0.19 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1juh s VAL 263 CO 0.49 0.56 0.66 -0.89 0.00 0.00 0.00 175.10 175.93 1juh s THR 264 N -0.51 5.04 0.07 3.92 2.01 -1.26 -4.80 115.64 120.10 1juh s THR 264 Ca 0.11 1.31 -0.31 0.00 0.31 0.00 0.00 61.69 63.12 1juh s THR 264 Cb -0.12 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1juh s THR 264 CO 0.02 0.18 1.75 -0.69 -0.69 0.00 0.00 174.62 175.19 1juh s VAL 265 N 1.33 2.93 0.62 3.82 1.01 -1.26 -4.94 120.40 123.90 1juh s VAL 265 Ca 0.33 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1juh s VAL 265 Cb -0.17 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1juh s VAL 265 CO 0.14 -0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.17 1juh s PRO 266 N 3.04 3.02 -0.08 2.72 0.04 -1.26 -5.01 135.00 137.47 1juh s PRO 266 Ca 0.78 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1juh s PRO 266 Cb -0.42 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1juh s PRO 266 CO 0.35 -1.08 0.04 0.99 0.04 0.00 0.00 177.00 177.33 1juh s THR 267 N -2.23 4.58 0.05 1.26 2.01 -1.26 -4.47 115.64 115.59 1juh s THR 267 Ca 0.68 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1juh s THR 267 Cb -0.20 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1juh s THR 267 CO 0.37 0.56 -0.20 0.26 -0.69 0.00 0.00 174.62 174.92 1juh s TRP 268 N -0.96 1.76 -0.23 4.92 0.52 0.22 -4.94 118.94 120.22 1juh s TRP 268 Ca 0.15 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.86 1juh s TRP 268 Cb -0.12 -1.03 0.12 0.00 -1.15 0.00 0.00 33.47 31.29 1juh s TRP 268 CO 0.05 0.11 0.31 0.45 0.02 0.00 0.00 176.95 177.89 1juh s SER 269 N -1.32 0.77 0.22 2.95 0.15 -1.26 -0.82 113.70 114.40 1juh s SER 269 Ca 0.07 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1juh s SER 269 Cb -0.09 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 64.97 1juh s SER 269 CO 0.02 -0.32 0.19 -0.36 1.20 0.00 0.00 173.24 173.98 1juh s PHE 270 N 2.45 3.14 0.25 3.44 0.08 -1.26 -4.86 117.98 121.22 1juh s PHE 270 Ca 0.10 -0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 1juh s PHE 270 Cb -0.15 -1.45 0.28 0.00 -0.57 0.00 0.00 43.02 41.14 1juh s PHE 270 CO -0.15 0.52 1.77 -1.35 -0.10 0.00 0.00 175.22 175.91 1juh h PRO 271 N 1.75 0.93 -6.18 0.24 0.11 -1.93 0.32 132.00 127.25 1juh h PRO 271 Ca -0.48 -0.22 -0.53 0.00 0.11 0.00 0.00 66.00 64.88 1juh h PRO 271 Cb 1.23 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1juh h PRO 271 CO 0.62 0.85 -0.57 0.20 -0.21 0.00 0.00 178.00 178.89 1juh s GLY 272 N -3.59 1.63 0.72 -0.55 0.00 -1.26 -4.27 107.32 100.00 1juh s GLY 272 Ca -0.10 -1.60 -0.15 0.00 0.00 0.00 0.00 44.72 42.86 1juh s GLY 272 CO 0.82 -1.62 1.20 0.00 0.00 0.00 0.00 173.10 173.49 1juh s ALA 273 N -2.27 2.16 0.18 3.20 0.00 -1.26 -3.94 121.76 119.83 1juh s ALA 273 Ca 0.34 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1juh s ALA 273 Cb -0.06 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1juh s ALA 273 CO 0.23 -1.80 0.35 0.00 0.00 0.00 0.00 175.76 174.53 1juh s ALA 275 N -3.97 -1.48 0.04 0.00 0.00 -0.32 -1.12 121.76 114.92 1juh s ALA 275 Ca 0.18 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1juh s ALA 275 Cb 0.02 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1juh s ALA 275 CO 0.02 -0.83 0.33 -0.59 0.00 0.00 0.00 175.76 174.69 1juh s PHE 276 N -3.80 -0.15 -0.14 0.00 -0.12 -0.78 -1.38 117.98 111.61 1juh s PHE 276 Ca 0.04 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1juh s PHE 276 Cb -0.02 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.52 1juh s PHE 276 CO -0.08 -0.52 -0.17 -1.14 -0.05 0.00 0.00 175.22 173.26 1juh s GLN 277 N -2.55 2.51 0.20 1.99 0.74 -0.10 -1.33 119.66 121.12 1juh s GLN 277 Ca -0.05 -0.65 -0.31 0.00 0.05 0.00 0.00 55.36 54.40 1juh s GLN 277 Cb -0.01 -2.18 -0.10 0.00 1.10 0.00 0.00 33.01 31.83 1juh s GLN 277 CO -0.03 -0.15 1.46 0.08 -0.55 0.00 0.00 175.29 176.10 1juh s VAL 278 N 1.21 2.80 -0.24 1.34 1.01 -0.53 -0.61 120.40 125.38 1juh s VAL 278 Ca -0.00 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1juh s VAL 278 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.72 1juh s VAL 278 CO -0.07 0.08 -0.27 0.00 0.00 0.00 0.00 175.10 174.83 1juh n GLN 279 N 3.09 0.54 -3.90 2.72 1.13 0.33 -0.28 117.38 121.02 1juh n GLN 279 Ca 0.09 0.19 -0.13 0.00 -1.94 0.00 0.00 57.00 55.22 1juh n GLN 279 Cb 0.40 -1.41 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 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 -2.46 0.06 0.00 -1.09 2.12 -0.85 -4.66 118.70 111.82 1juh s GLU 280 Ca -0.33 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1juh s GLU 280 Cb 0.11 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1juh s GLU 280 CO 0.47 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1juh n GLY 281 N 3.15 -1.55 2.69 -1.50 0.00 -1.26 -0.62 105.19 106.10 1juh n GLY 281 Ca -0.13 -2.06 -0.21 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 0.02 -0.11 1.61 0.52 -1.26 -4.25 118.95 115.49 1juh s ARG 282 Ca 0.00 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.48 1juh s ARG 282 Cb 0.00 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.48 1juh s ARG 282 CO 0.00 -0.48 -0.21 0.08 0.02 0.00 0.00 175.30 174.72 1juh s VAL 283 N 2.20 1.84 -0.12 3.52 1.01 -0.68 -0.67 120.40 127.50 1juh s VAL 283 Ca 0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1juh s VAL 283 Cb -0.14 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1juh s VAL 283 CO -0.07 0.51 0.35 -0.69 0.00 0.00 0.00 175.10 175.21 1juh s VAL 284 N 0.59 5.24 -0.05 2.92 1.01 0.34 -0.35 120.40 130.10 1juh s VAL 284 Ca -0.14 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1juh s VAL 284 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1juh s VAL 284 CO 0.04 0.42 -0.22 0.68 0.00 0.00 0.00 175.10 176.02 1juh s VAL 285 N 0.18 1.82 -0.29 2.92 -7.23 -0.05 -1.63 120.40 116.11 1juh s VAL 285 Ca 0.20 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1juh s VAL 285 Cb -0.14 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.34 1juh s VAL 285 CO 0.07 0.51 0.01 -1.58 -0.31 0.00 0.00 175.10 173.80 1juh s GLN 286 N -0.14 1.45 -0.18 4.82 0.74 0.56 -0.78 119.66 126.12 1juh s GLN 286 Ca -0.02 -1.35 -0.04 0.00 0.05 0.00 0.00 55.36 54.00 1juh s GLN 286 Cb -0.12 -2.71 -0.02 0.00 1.10 0.00 0.00 33.01 31.25 1juh s GLN 286 CO 0.03 -0.79 -0.03 0.42 -0.55 0.00 0.00 175.29 174.37 1juh s ILE 287 N 1.24 3.75 0.00 -2.34 1.01 -1.26 -0.93 121.20 122.68 1juh s ILE 287 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1juh s ILE 287 Cb -0.19 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1juh s ILE 287 CO -0.11 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1juh n GLY 288 N 4.06 3.45 1.53 6.18 0.00 0.20 -1.21 105.19 119.41 1juh n GLY 288 Ca -0.17 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1juh n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1juh n ASP 289 N 4.72 4.50 -4.88 1.61 5.68 -1.26 -4.97 116.55 121.95 1juh n ASP 289 Ca 0.00 -2.29 -0.30 0.00 -0.50 0.00 0.00 54.79 51.71 1juh n ASP 289 Cb 0.00 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1juh n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1juh s TYR 290 N -1.55 3.58 0.45 2.11 1.51 -0.35 -5.03 117.35 118.07 1juh s TYR 290 Ca 0.51 1.11 -0.24 0.00 -1.01 0.00 0.00 57.07 57.44 1juh s TYR 290 Cb 0.31 -2.55 -0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1juh s TYR 290 CO 0.28 -0.48 1.26 0.00 -1.11 0.00 0.00 175.55 175.50 1juh s ALA 291 N -2.93 3.07 0.25 3.71 0.00 -1.26 -4.34 121.76 120.26 1juh s ALA 291 Ca 0.52 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 53.31 1juh s ALA 291 Cb -0.11 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 1juh s ALA 291 CO 0.48 -0.86 1.60 0.00 0.00 0.00 0.00 175.76 176.98 1juh n ALA 292 N -0.30 2.31 -3.38 0.00 0.00 -1.26 -4.70 120.51 113.18 1juh n ALA 292 Ca 0.06 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 1juh n ALA 292 Cb 0.45 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.30 1juh n ALA 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1juh s THR 293 N 0.37 0.68 -0.16 0.00 2.01 0.04 -4.94 115.64 113.64 1juh s THR 293 Ca 0.69 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 1juh s THR 293 Cb -0.54 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1juh s THR 293 CO 0.44 0.24 0.44 -0.70 -0.69 0.00 0.00 174.62 174.35 1juh s GLU 294 N 0.60 4.26 -0.10 4.92 2.12 -1.26 -0.87 118.70 128.37 1juh s GLU 294 Ca -0.09 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.54 1juh s GLU 294 Cb -0.12 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1juh s GLU 294 CO 0.01 0.07 0.04 -0.51 -0.54 0.00 0.00 175.26 174.32 1juh s LEU 295 N 0.95 3.77 0.00 2.70 1.02 0.52 -4.94 118.68 122.71 1juh s LEU 295 Ca 0.23 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.58 1juh s LEU 295 Cb -0.15 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1juh s LEU 295 CO 0.09 0.37 0.00 0.61 0.02 0.00 0.00 176.35 177.44 1juh n GLY 296 N 2.21 4.11 3.69 -3.19 0.00 -1.26 -1.68 105.19 109.07 1juh n GLY 296 Ca -0.19 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.18 3.19 0.00 1.61 3.41 -1.26 -1.67 113.62 117.71 1juh n SER 297 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1juh n SER 297 Cb 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.48 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 2.70 2.87 3.77 5.00 0.00 0.62 -4.59 105.19 115.56 1juh n GLY 298 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.61 6.23 -0.05 1.61 1.01 -0.67 -3.88 116.67 117.31 1juh s ASP 299 Ca 0.00 2.29 0.06 0.00 0.71 0.00 0.00 52.55 55.60 1juh s ASP 299 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1juh s ASP 299 CO 0.00 -0.88 -0.22 -0.69 0.21 0.00 0.00 175.17 173.59 1juh s VAL 300 N -1.55 1.79 -0.05 -1.27 1.01 -0.34 -1.45 120.40 118.54 1juh s VAL 300 Ca 0.63 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1juh s VAL 300 Cb -0.28 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1juh s VAL 300 CO 0.34 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.74 1juh s ALA 301 N -0.13 2.39 -0.08 5.51 0.00 -0.44 -1.14 121.76 127.87 1juh s ALA 301 Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1juh s ALA 301 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1juh s ALA 301 CO 0.03 0.49 -0.19 0.12 0.00 0.00 0.00 175.76 176.21 1juh s PHE 302 N -0.46 2.02 -0.18 0.00 5.36 -0.06 -1.87 117.98 122.79 1juh s PHE 302 Ca 0.05 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 1juh s PHE 302 Cb -0.12 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.21 1juh s PHE 302 CO 0.01 -0.32 -0.10 0.42 -1.46 0.00 0.00 175.22 173.77 1juh s ILE 303 N 0.40 1.50 0.66 3.12 1.09 -0.28 -2.33 121.20 125.37 1juh s ILE 303 Ca -0.15 -0.86 -0.17 0.00 -1.10 0.00 0.00 60.65 58.37 1juh s ILE 303 Cb -0.16 -1.57 0.00 0.00 -1.06 0.00 0.00 42.46 39.67 1juh s ILE 303 CO 0.06 0.20 1.25 -2.84 -0.10 0.00 0.00 174.94 173.51 1juh s PRO 304 N 1.47 2.49 0.51 2.79 0.02 -1.26 -1.61 135.00 139.41 1juh s PRO 304 Ca 0.00 1.93 -0.23 0.00 0.02 0.00 0.00 61.00 62.72 1juh s PRO 304 Cb -0.15 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1juh s PRO 304 CO -0.08 -1.61 1.34 0.20 -0.33 0.00 0.00 177.00 176.52 1juh s GLY 305 N -1.63 2.88 0.00 0.52 0.00 -1.25 -2.10 107.32 105.75 1juh s GLY 305 Ca 0.79 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1juh s GLY 305 CO 0.40 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.94 1juh n GLY 306 N 0.66 1.29 3.64 0.20 0.00 0.11 -4.88 105.19 106.21 1juh n GLY 306 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.55 4.75 0.33 1.61 1.01 -0.89 -4.94 120.40 118.73 1juh s VAL 307 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1juh s VAL 307 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1juh s VAL 307 CO 0.00 0.47 1.16 -1.61 0.00 0.00 0.00 175.10 175.11 1juh s GLU 308 N 0.30 4.38 0.14 2.72 2.02 -1.26 -4.55 118.70 122.45 1juh s GLU 308 Ca 0.03 1.87 -0.18 0.00 0.02 0.00 0.00 54.97 56.71 1juh s GLU 308 Cb -0.12 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1juh s GLU 308 CO 0.00 -0.05 0.46 -0.59 0.02 0.00 0.00 175.26 175.10 1juh s PHE 309 N -1.27 -0.27 0.06 1.61 -0.71 0.00 -0.63 117.98 116.78 1juh s PHE 309 Ca 0.50 -0.02 0.04 0.00 -1.04 0.00 0.00 56.93 56.41 1juh s PHE 309 Cb -0.32 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1juh s PHE 309 CO 0.41 -0.75 -0.12 0.15 -1.34 0.00 0.00 175.22 173.57 1juh s LYS 310 N -3.80 0.74 0.04 1.99 1.02 -0.10 -0.61 119.74 119.01 1juh s LYS 310 Ca 0.03 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1juh s LYS 310 Cb 0.01 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.67 1juh s LYS 310 CO -0.11 0.14 0.24 1.52 -0.92 0.00 0.00 175.35 176.21 1juh s TYR 311 N -1.36 -0.02 0.07 3.18 -0.85 -1.26 -0.32 117.35 116.78 1juh s TYR 311 Ca -0.04 -0.15 -0.26 0.00 -0.52 0.00 0.00 57.07 56.10 1juh s TYR 311 Cb -0.10 0.02 0.07 0.00 0.38 0.00 0.00 41.96 42.34 1juh s TYR 311 CO 0.02 -0.45 0.66 1.52 -1.52 0.00 0.00 175.55 175.78 1juh s TYR 312 N -2.43 -0.56 -0.15 -3.49 -0.85 -0.65 -4.85 117.35 104.38 1juh s TYR 312 Ca -0.06 0.59 -0.19 0.00 -0.52 0.00 0.00 57.07 56.89 1juh s TYR 312 Cb -0.02 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 1juh s TYR 312 CO -0.03 -0.73 0.54 0.45 -1.52 0.00 0.00 175.55 174.26 1juh s SER 313 N -2.16 6.69 0.01 -0.18 0.15 -1.26 -0.50 113.70 116.45 1juh s SER 313 Ca -0.03 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.46 1juh s SER 313 Cb -0.01 -2.32 -0.26 0.00 -1.71 0.00 0.00 66.02 61.73 1juh s SER 313 CO -0.05 -0.11 0.88 -0.08 1.20 0.00 0.00 173.24 175.08 1juh h GLU 314 N 7.07 0.17 -7.21 5.44 4.57 -1.26 -3.40 114.58 119.96 1juh h GLU 314 Ca -0.37 -0.29 -0.49 0.00 -1.18 0.00 0.00 59.36 57.02 1juh h GLU 314 Cb 1.17 0.11 0.07 0.00 -0.16 0.00 0.00 28.75 29.94 1juh h GLU 314 CO 0.75 1.00 0.38 0.00 -1.18 0.00 0.00 179.01 179.96 1juh s ALA 315 N -2.63 2.72 0.41 2.92 0.00 -1.07 -4.93 121.76 119.18 1juh s ALA 315 Ca -0.07 0.37 0.29 0.00 0.00 0.00 0.00 51.96 52.55 1juh s ALA 315 Cb 0.07 -3.23 1.53 0.00 0.00 0.00 0.00 23.12 21.49 1juh s ALA 315 CO 0.84 -0.87 2.09 1.88 0.00 0.00 0.00 175.76 179.71 1juh h TYR 316 N 0.31 0.00 -2.71 0.00 0.05 -1.90 -3.39 116.97 109.34 1juh h TYR 316 Ca -0.47 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.18 1juh h TYR 316 Cb 1.22 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.68 1juh h TYR 316 CO 0.59 0.10 -0.38 0.12 -1.05 0.00 0.00 178.16 177.53 1juh s PHE 317 N -4.15 -0.58 0.07 4.88 2.19 -1.26 -3.96 117.98 115.18 1juh s PHE 317 Ca -0.03 1.22 0.04 0.00 0.33 0.00 0.00 56.93 58.49 1juh s PHE 317 Cb 0.13 0.20 -0.03 0.00 -1.31 0.00 0.00 43.02 42.00 1juh s PHE 317 CO 0.57 -0.36 -0.11 -1.12 1.83 0.00 0.00 175.22 176.02 1juh s SER 318 N 1.83 1.40 -0.04 6.13 0.01 -0.78 -4.40 113.70 117.86 1juh s SER 318 Ca -0.06 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1juh s SER 318 Cb -0.10 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1juh s SER 318 CO -0.11 -0.17 -0.04 -0.75 0.41 0.00 0.00 173.24 172.58 1juh s LYS 319 N -2.07 0.76 0.18 12.44 2.20 0.21 -0.37 119.74 133.09 1juh s LYS 319 Ca -0.01 -0.07 0.09 0.00 -0.36 0.00 0.00 55.97 55.61 1juh s LYS 319 Cb -0.08 -0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 1juh s LYS 319 CO 0.01 -0.10 -0.19 0.14 -0.36 0.00 0.00 175.35 174.86 1juh s VAL 320 N 0.98 1.92 -0.20 4.02 -7.23 -0.26 -0.51 120.40 119.12 1juh s VAL 320 Ca -0.10 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 57.91 1juh s VAL 320 Cb -0.14 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1juh s VAL 320 CO -0.00 -0.34 0.34 -0.22 -0.31 0.00 0.00 175.10 174.57 1juh s LEU 321 N -2.82 4.16 -0.04 1.32 2.96 0.22 -1.19 118.68 123.30 1juh s LEU 321 Ca 0.18 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.59 1juh s LEU 321 Cb -0.05 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 1juh s LEU 321 CO 0.08 -0.02 -0.21 0.12 -1.32 0.00 0.00 176.35 175.00 1juh s PHE 322 N 1.13 1.99 0.01 5.38 5.36 0.63 -0.93 117.98 131.56 1juh s PHE 322 Ca 0.17 -0.54 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 1juh s PHE 322 Cb -0.14 -1.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.21 1juh s PHE 322 CO 0.07 -0.16 -0.10 0.54 -1.46 0.00 0.00 175.22 174.11 1juh s VAL 323 N -0.14 0.78 -0.02 3.12 0.11 -0.48 -1.52 120.40 122.25 1juh s VAL 323 Ca -0.01 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1juh s VAL 323 Cb -0.12 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1juh s VAL 323 CO 0.02 0.08 0.05 -0.55 -3.33 0.00 0.00 175.10 171.37 1juh s SER 324 N -0.59 -0.05 -0.03 3.54 0.15 -0.52 -1.17 113.70 115.02 1juh s SER 324 Ca 0.01 0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 1juh s SER 324 Cb -0.05 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1juh s SER 324 CO 0.00 -0.03 0.74 -0.55 1.20 0.00 0.00 173.24 174.61 1juh s SER 325 N 0.11 7.08 0.00 5.45 0.15 0.18 -1.12 113.70 125.54 1juh s SER 325 Ca -0.01 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1juh s SER 325 Cb -0.01 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1juh s SER 325 CO -0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1juh n GLY 326 N 2.90 1.51 0.18 9.45 0.00 0.43 -3.98 105.19 115.67 1juh n GLY 326 Ca -0.01 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 1.31 -2.54 1.61 3.41 -1.26 -3.33 113.62 112.81 1juh n SER 327 Ca 0.00 -1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 1juh n SER 327 Cb 0.00 0.80 0.02 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.93 3.16 -2.39 4.04 8.00 -1.26 -4.87 116.55 122.30 1juh n ASP 328 Ca 0.06 -3.19 -0.03 0.00 0.71 0.00 0.00 54.79 52.33 1juh n ASP 328 Cb 0.36 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.33 -1.72 0.22 0.44 0.00 -1.26 -4.62 105.19 97.92 1juh n GLY 329 Ca 0.25 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.25 -0.44 0.99 5.85 -1.98 -0.63 115.31 118.85 1juh h LEU 330 Ca -0.05 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1juh h LEU 330 Cb 0.14 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1juh h LEU 330 CO 0.03 -0.10 0.10 -2.24 -0.34 0.00 0.00 178.44 175.90 1juh h ASP 331 N 0.11 0.68 -0.52 1.25 2.03 -1.98 -0.68 116.42 117.32 1juh h ASP 331 Ca 0.29 -0.24 -0.06 0.00 -0.73 0.00 0.00 57.03 56.29 1juh h ASP 331 Cb 0.45 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 38.74 1juh h ASP 331 CO -0.48 0.74 0.12 -0.61 -1.03 0.00 0.00 179.24 177.98 1juh h GLN 332 N 0.59 0.89 -0.27 4.15 5.75 -1.78 -0.43 115.11 124.01 1juh h GLN 332 Ca 0.14 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1juh h GLN 332 Cb 0.33 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1juh h GLN 332 CO 0.00 0.82 0.16 -0.97 -2.65 0.00 0.00 178.83 176.19 1juh h ASN 333 N 0.85 0.33 -0.47 -0.69 -1.24 -0.72 0.74 115.58 114.39 1juh h ASN 333 Ca 0.18 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.06 1juh h ASN 333 Cb 0.34 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1juh h ASN 333 CO 0.00 0.30 0.04 -0.07 -1.29 0.00 0.00 177.43 176.41 1juh h LEU 334 N 0.34 0.82 0.02 0.34 3.38 -0.78 -1.88 115.31 117.55 1juh h LEU 334 Ca 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1juh h LEU 334 Cb 0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1juh h LEU 334 CO -0.02 0.86 -0.01 0.58 0.09 0.00 0.00 178.44 179.95 1juh h VAL 335 N 0.81 1.22 -0.15 1.22 2.07 -0.81 -1.85 116.25 118.75 1juh h VAL 335 Ca 0.16 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1juh h VAL 335 Cb 0.43 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1juh h VAL 335 CO 0.01 0.19 0.11 0.78 0.02 0.00 0.00 177.57 178.68 1juh h ASN 336 N -0.34 0.11 0.52 0.57 2.35 -0.67 -1.59 115.58 116.53 1juh h ASN 336 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1juh h ASN 336 Cb 0.32 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1juh h ASN 336 CO 0.00 0.07 -0.53 0.61 -1.65 0.00 0.00 177.43 175.94 1juh n GLY 337 N -1.54 -1.26 0.00 2.83 0.00 -0.72 -4.94 105.19 99.56 1juh n GLY 337 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.48 1.94 3.19 -0.02 0.00 -0.60 -4.84 105.19 106.35 1juh n GLY 338 Ca 0.05 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 4.37 0.82 0.49 1.61 -1.05 -0.45 -4.96 118.70 119.53 1juh s GLU 339 Ca 0.00 -1.04 -0.24 0.00 -0.15 0.00 0.00 54.97 53.55 1juh s GLU 339 Cb 0.00 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 1juh s GLU 339 CO 0.00 -0.25 1.35 -1.21 0.95 0.00 0.00 175.26 176.11 1juh s GLU 340 N -3.88 3.49 -0.05 -4.83 2.02 -1.26 -0.18 118.70 114.01 1juh s GLU 340 Ca 0.07 2.24 -0.06 0.00 0.02 0.00 0.00 54.97 57.24 1juh s GLU 340 Cb 0.05 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1juh s GLU 340 CO -0.10 -0.91 0.15 -0.46 0.02 0.00 0.00 175.26 173.96 1juh s TRP 341 N -1.29 -0.13 -0.25 1.61 -0.11 -0.33 -4.63 118.94 113.81 1juh s TRP 341 Ca 0.65 0.31 0.12 0.00 1.22 0.00 0.00 56.10 58.41 1juh s TRP 341 Cb -0.40 0.04 0.51 0.00 -1.50 0.00 0.00 33.47 32.11 1juh s TRP 341 CO 0.49 -0.11 1.44 0.43 -4.62 0.00 0.00 176.95 174.58 1juh n SER 342 N 2.74 2.96 -4.02 5.86 7.64 -1.26 -3.85 113.62 123.68 1juh n SER 342 Ca -0.14 -3.48 -0.09 0.00 1.01 0.00 0.00 58.87 56.16 1juh n SER 342 Cb 0.58 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.34 0.41 0.02 6.43 0.15 -1.26 -5.01 113.70 112.11 1juh s SER 343 Ca 0.43 -0.63 0.28 0.00 0.70 0.00 0.00 55.95 56.73 1juh s SER 343 Cb 0.38 0.11 1.07 0.00 -1.71 0.00 0.00 66.02 65.87 1juh s SER 343 CO 0.03 -0.36 1.82 1.33 1.20 0.00 0.00 173.24 177.27 1juh n VAL 344 N 1.19 0.06 -4.06 4.45 0.24 -1.26 -4.80 118.33 114.15 1juh n VAL 344 Ca -0.21 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1juh n VAL 344 Cb 0.56 -0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 32.48 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 -3.17 5.46 0.47 -1.34 0.01 -1.26 -5.02 113.70 108.85 1juh s SER 345 Ca 0.13 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.39 1juh s SER 345 Cb 0.18 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.99 1juh s SER 345 CO 0.57 0.16 0.66 0.72 0.41 0.00 0.00 173.24 175.76 1juh s PHE 346 N -1.42 2.87 0.66 2.43 -0.12 -1.26 -5.03 117.98 116.10 1juh s PHE 346 Ca 0.29 -0.19 -0.17 0.00 -0.05 0.00 0.00 56.93 56.80 1juh s PHE 346 Cb -0.12 -2.52 -0.02 0.00 -0.63 0.00 0.00 43.02 39.73 1juh s PHE 346 CO 0.22 -0.59 1.02 -2.30 -0.05 0.00 0.00 175.22 173.52 1juh n PRO 347 N -2.06 0.78 0.23 1.99 -0.02 -1.26 -4.91 135.00 129.74 1juh n PRO 347 Ca 0.07 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1juh n PRO 347 Cb 0.59 -2.25 0.45 0.00 -0.02 0.00 0.00 33.50 32.27 1juh n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1juh h ALA 348 N 0.20 1.00 -3.90 3.55 0.00 -2.08 -3.45 119.26 114.58 1juh h ALA 348 Ca -0.49 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1juh h ALA 348 Cb 1.35 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.91 1juh h ALA 348 CO 0.50 0.00 -0.85 -0.51 0.00 0.00 0.00 179.25 178.39 1juh s ASP 349 N -5.63 2.84 0.00 0.00 1.01 -1.26 -5.28 116.67 108.35 1juh s ASP 349 Ca 0.04 -0.66 0.22 0.00 0.71 0.00 0.00 52.55 52.86 1juh s ASP 349 Cb 0.08 -0.19 1.29 0.00 1.01 0.00 0.00 42.92 45.10 1juh s ASP 349 CO 0.58 0.14 1.67 0.79 0.21 0.00 0.00 175.17 178.56