#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juh s SER 4 N 0.00 7.06 0.44 6.43 0.15 -1.26 -1.32 113.70 125.20 1juh s SER 4 Ca 0.00 1.26 0.25 0.00 0.70 0.00 0.00 55.95 58.15 1juh s SER 4 Cb 0.00 -2.36 0.50 0.00 -1.71 0.00 0.00 66.02 62.46 1juh s SER 4 CO 0.00 0.27 1.67 -0.07 1.20 0.00 0.00 173.24 176.31 1juh h LEU 5 N 4.50 0.00 -9.62 3.45 3.38 -1.91 -3.47 115.31 111.65 1juh h LEU 5 Ca -0.50 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.95 1juh h LEU 5 Cb 1.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.00 1juh h LEU 5 CO 0.63 0.00 0.77 -0.63 0.09 0.00 0.00 178.44 179.31 1juh s ILE 6 N -3.26 2.95 0.10 1.22 -1.09 -1.26 -1.18 121.20 118.68 1juh s ILE 6 Ca 0.06 0.71 0.03 0.00 -2.23 0.00 0.00 60.65 59.22 1juh s ILE 6 Cb 0.06 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1juh s ILE 6 CO 0.65 0.07 -0.09 0.68 -1.23 0.00 0.00 174.94 175.02 1juh s VAL 7 N 0.79 0.83 -0.19 2.92 -7.23 -0.62 -4.91 120.40 112.00 1juh s VAL 7 Ca 0.64 -1.70 0.22 0.00 -1.81 0.00 0.00 61.98 59.33 1juh s VAL 7 Cb -0.40 -1.41 -0.28 0.00 0.56 0.00 0.00 36.38 34.85 1juh s VAL 7 CO 0.34 -0.65 0.62 -0.62 -0.31 0.00 0.00 175.10 174.47 1juh n GLU 8 N 0.41 0.56 -4.02 4.82 -0.58 -1.26 -4.34 120.64 116.23 1juh n GLU 8 Ca -0.15 -0.13 -0.11 0.00 -0.42 0.00 0.00 57.16 56.35 1juh n GLU 8 Cb 0.59 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.79 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 -4.41 0.54 0.41 1.62 1.01 -1.26 -1.55 116.67 113.03 1juh s ASP 9 Ca -0.05 -0.52 -0.26 0.00 0.71 0.00 0.00 52.55 52.43 1juh s ASP 9 Cb 0.14 0.07 -0.09 0.00 1.01 0.00 0.00 42.92 44.05 1juh s ASP 9 CO 0.89 -0.25 1.34 0.00 0.21 0.00 0.00 175.17 177.35 1juh s ALA 10 N -1.42 3.28 0.89 5.23 0.00 -1.26 -4.96 121.76 123.52 1juh s ALA 10 Ca -0.13 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1juh s ALA 10 Cb -0.10 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.63 1juh s ALA 10 CO -0.00 -0.91 1.16 -2.14 0.00 0.00 0.00 175.76 173.87 1juh s PRO 11 N -2.26 1.18 -0.11 0.00 0.02 -1.26 -4.92 135.00 127.65 1juh s PRO 11 Ca 0.57 1.60 0.10 0.00 0.02 0.00 0.00 61.00 63.29 1juh s PRO 11 Cb -0.40 -1.74 0.48 0.00 0.02 0.00 0.00 34.50 32.86 1juh s PRO 11 CO 0.52 -2.53 1.28 -0.40 -0.33 0.00 0.00 177.00 175.54 1juh n ASP 12 N -4.00 3.56 -3.71 2.53 5.68 -1.26 -3.37 116.55 115.97 1juh n ASP 12 Ca 0.12 -2.44 -0.07 0.00 -0.50 0.00 0.00 54.79 51.91 1juh n ASP 12 Cb 0.52 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.94 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 -1.92 -0.14 -0.11 2.11 -3.43 -1.24 -4.70 115.29 105.86 1juh s HIS 13 Ca 0.33 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.95 1juh s HIS 13 Cb 0.23 0.73 -0.01 0.00 -1.43 0.00 0.00 32.58 32.10 1juh s HIS 13 CO 0.12 -1.27 0.98 0.08 -2.00 0.00 0.00 174.74 172.65 1juh s VAL 14 N -3.63 4.80 0.03 -5.38 1.01 -1.22 -4.33 120.40 111.67 1juh s VAL 14 Ca 0.12 1.99 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 1juh s VAL 14 Cb -0.06 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.13 1juh s VAL 14 CO 0.07 0.01 0.89 0.00 0.00 0.00 0.00 175.10 176.08 1juh s ARG 15 N 1.99 0.90 0.35 2.72 1.70 -1.26 -5.07 118.95 120.28 1juh s ARG 15 Ca 0.47 -0.37 -0.27 0.00 -0.47 0.00 0.00 55.73 55.09 1juh s ARG 15 Cb -0.18 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 1juh s ARG 15 CO 0.17 -0.40 1.20 -2.14 -1.08 0.00 0.00 175.30 173.06 1juh s PRO 16 N -3.17 4.28 0.07 3.89 0.02 -1.26 -4.62 135.00 134.20 1juh s PRO 16 Ca 0.06 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 62.78 1juh s PRO 16 Cb -0.01 -2.92 0.09 0.00 0.02 0.00 0.00 34.50 31.67 1juh s PRO 16 CO -0.07 -0.16 0.77 1.52 -0.33 0.00 0.00 177.00 178.72 1juh s TYR 17 N -1.26 -0.43 -0.04 6.54 -0.85 -1.01 -4.91 117.35 115.39 1juh s TYR 17 Ca 0.51 0.26 0.04 0.00 -0.52 0.00 0.00 57.07 57.36 1juh s TYR 17 Cb -0.34 0.55 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 1juh s TYR 17 CO 0.44 -0.68 -0.15 0.08 -1.52 0.00 0.00 175.55 173.72 1juh s VAL 18 N -3.39 1.28 -0.10 -3.49 1.01 -0.32 -0.64 120.40 114.74 1juh s VAL 18 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1juh s VAL 18 Cb -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1juh s VAL 18 CO -0.11 0.37 -0.12 -0.51 0.00 0.00 0.00 175.10 174.74 1juh s ILE 19 N 0.08 1.27 0.58 2.22 2.07 -0.20 -1.59 121.20 125.63 1juh s ILE 19 Ca -0.04 -0.50 -0.18 0.00 -1.41 0.00 0.00 60.65 58.52 1juh s ILE 19 Cb -0.11 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 1juh s ILE 19 CO 0.02 0.40 1.13 -0.13 -1.91 0.00 0.00 174.94 174.45 1juh s ARG 20 N 1.10 3.18 0.22 3.50 1.81 -1.26 -1.40 118.95 126.10 1juh s ARG 20 Ca -0.05 1.59 -0.32 0.00 -1.72 0.00 0.00 55.73 55.23 1juh s ARG 20 Cb -0.14 -1.98 -0.14 0.00 -0.45 0.00 0.00 34.95 32.23 1juh s ARG 20 CO -0.02 -0.99 1.33 1.58 -0.68 0.00 0.00 175.30 176.52 1juh n HIS 21 N -1.60 1.89 -1.20 -0.53 -0.00 -1.25 -1.46 115.22 111.07 1juh n HIS 21 Ca 0.12 0.51 -0.07 0.00 0.46 0.00 0.00 57.72 58.74 1juh n HIS 21 Cb 0.51 -2.40 -0.03 0.00 -0.12 0.00 0.00 29.99 27.95 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 1.72 0.00 -0.75 1.57 4.01 -1.26 -4.98 117.16 117.48 1juh n TYR 22 Ca 0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1juh n TYR 22 Cb 0.30 -1.83 0.19 0.00 -0.31 0.00 0.00 39.34 37.69 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 -2.46 2.37 0.18 7.72 0.01 -0.54 -4.82 113.70 116.15 1juh s SER 23 Ca 0.00 1.83 -0.17 0.00 1.31 0.00 0.00 55.95 58.92 1juh s SER 23 Cb 0.00 -2.41 0.12 0.00 0.21 0.00 0.00 66.02 63.94 1juh s SER 23 CO 0.00 -3.38 1.65 -0.74 0.41 0.00 0.00 173.24 171.17 1juh h HIS 24 N -2.06 -0.35 -6.74 2.43 2.76 -1.88 -3.46 115.15 105.86 1juh h HIS 24 Ca -0.51 0.04 -0.55 0.00 -2.20 0.00 0.00 60.37 57.16 1juh h HIS 24 Cb 1.29 0.22 -0.13 0.00 1.55 0.00 0.00 27.41 30.34 1juh h HIS 24 CO 0.41 -0.23 -0.91 0.00 -1.30 0.00 0.00 177.93 175.90 1juh n ALA 25 N -2.83 -1.90 -3.80 5.26 0.00 -0.60 -1.15 120.51 115.48 1juh n ALA 25 Ca 0.03 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 1juh n ALA 25 Cb 0.26 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -4.45 -3.97 -1.58 0.00 1.74 -1.26 -1.00 116.66 106.14 1juh n ARG 26 Ca -0.26 0.48 -0.47 0.00 -0.77 0.00 0.00 57.85 56.84 1juh n ARG 26 Cb 0.66 -5.26 -0.03 0.00 -1.02 0.00 0.00 32.46 26.81 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 -4.14 -0.57 -2.18 7.54 0.00 -0.30 -4.76 120.51 116.09 1juh n ALA 27 Ca 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1juh n ALA 27 Cb 0.52 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.62 0.66 0.07 0.00 -7.23 -0.86 -1.18 120.40 111.23 1juh s VAL 28 Ca 0.66 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.01 1juh s VAL 28 Cb -0.78 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1juh s VAL 28 CO 0.56 -0.87 -0.25 0.42 -0.31 0.00 0.00 175.10 174.64 1juh s THR 29 N -3.60 2.05 -0.30 5.32 -4.23 -0.23 -0.88 115.64 113.78 1juh s THR 29 Ca 0.11 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1juh s THR 29 Cb 0.05 -1.78 0.09 0.00 1.34 0.00 0.00 72.50 72.21 1juh s THR 29 CO -0.05 0.25 0.07 -0.69 -0.54 0.00 0.00 174.62 173.66 1juh s VAL 30 N -0.88 1.25 0.00 2.29 1.01 -0.37 -1.13 120.40 122.58 1juh s VAL 30 Ca 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1juh s VAL 30 Cb -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1juh s VAL 30 CO 0.03 -0.57 0.00 0.47 0.00 0.00 0.00 175.10 175.03 1juh n ASP 31 N 4.70 0.00 0.02 3.32 8.00 -1.26 -1.45 116.55 129.88 1juh n ASP 31 Ca -0.02 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.61 1juh n ASP 31 Cb 0.42 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.09 -3.01 -3.53 -2.24 -1.26 -4.89 114.28 99.44 1juh n THR 32 Ca 0.00 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1juh n THR 32 Cb 0.00 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 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 -3.03 4.49 -0.20 -0.78 -0.21 -0.53 -4.51 119.66 114.90 1juh s GLN 33 Ca 0.12 1.06 -0.02 0.00 0.02 0.00 0.00 55.36 56.54 1juh s GLN 33 Cb 0.17 -3.32 0.00 0.00 1.00 0.00 0.00 33.01 30.86 1juh s GLN 33 CO 0.63 0.41 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.93 1juh s LEU 34 N -0.49 2.62 -0.15 2.90 0.20 -0.19 -1.23 118.68 122.33 1juh s LEU 34 Ca 0.37 -0.48 -0.07 0.00 0.69 0.00 0.00 54.13 54.64 1juh s LEU 34 Cb -0.21 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1juh s LEU 34 CO 0.24 -0.00 0.08 -0.31 -0.29 0.00 0.00 176.35 176.07 1juh s TYR 35 N 1.35 3.36 -0.05 5.38 1.51 -0.06 -1.17 117.35 127.68 1juh s TYR 35 Ca 0.04 0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1juh s TYR 35 Cb -0.14 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1juh s TYR 35 CO -0.06 0.40 -0.20 1.03 -1.11 0.00 0.00 175.55 175.61 1juh s ARG 36 N -0.28 2.07 -0.73 -0.62 0.52 0.56 -2.02 118.95 118.45 1juh s ARG 36 Ca 0.09 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 1juh s ARG 36 Cb -0.12 -1.78 0.19 0.00 0.52 0.00 0.00 34.95 33.76 1juh s ARG 36 CO 0.01 0.30 0.60 -0.06 0.02 0.00 0.00 175.30 176.17 1juh s PHE 37 N -0.04 3.58 0.17 -0.53 0.08 -0.17 -0.62 117.98 120.45 1juh s PHE 37 Ca -0.04 -2.47 -0.08 0.00 0.12 0.00 0.00 56.93 54.46 1juh s PHE 37 Cb -0.12 -3.45 0.04 0.00 -0.57 0.00 0.00 43.02 38.92 1juh s PHE 37 CO 0.03 -0.89 1.52 1.88 -0.10 0.00 0.00 175.22 177.66 1juh h TYR 38 N 7.22 1.02 -3.41 0.36 0.05 -1.58 -3.39 116.97 117.24 1juh h TYR 38 Ca 0.05 -0.29 -0.46 0.00 0.05 0.00 0.00 58.73 58.08 1juh h TYR 38 Cb 0.97 -0.22 -0.34 0.00 1.01 0.00 0.00 36.73 38.15 1juh h TYR 38 CO 0.84 1.08 -0.79 0.08 -1.05 0.00 0.00 178.16 178.32 1juh s VAL 39 N -4.42 0.79 0.44 -2.88 1.01 -0.46 -4.61 120.40 110.28 1juh s VAL 39 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1juh s VAL 39 Cb 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1juh s VAL 39 CO 0.87 0.29 0.03 0.35 0.00 0.00 0.00 175.10 176.63 1juh n THR 40 N 4.07 0.00 0.20 3.92 -2.24 -1.26 -1.00 114.28 117.97 1juh n THR 40 Ca -0.22 -2.05 -0.15 0.00 -2.27 0.00 0.00 64.05 59.36 1juh n THR 40 Cb 0.51 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 1juh n THR 40 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1juh h GLY 41 N 1.01 -0.50 0.83 3.38 0.00 -1.85 -1.85 103.07 104.09 1juh h GLY 41 Ca -0.36 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1juh h GLY 41 CO 0.59 -0.18 0.41 -2.55 0.00 0.00 0.00 176.54 174.81 1juh h PRO 42 N -0.62 0.76 0.00 4.80 0.11 -1.89 0.47 132.00 135.64 1juh h PRO 42 Ca -0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1juh h PRO 42 Cb 0.45 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1juh h PRO 42 CO 0.08 0.50 -0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1juh h SER 43 N 0.79 0.00 -0.19 -2.05 4.64 -1.55 -3.16 113.55 112.02 1juh h SER 43 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1juh h SER 43 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1juh h SER 43 CO -0.12 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.30 1juh n SER 44 N -3.10 2.42 -1.54 4.97 3.41 -0.70 -4.17 113.62 114.92 1juh n SER 44 Ca 0.01 -1.84 -0.13 0.00 -0.26 0.00 0.00 58.87 56.65 1juh n SER 44 Cb 0.33 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.28 -0.17 2.44 5.00 0.00 -0.36 -2.63 105.19 109.74 1juh n GLY 45 Ca 0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.01 0.00 -0.04 1.61 4.01 0.15 -4.92 117.16 113.96 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 -2.21 -0.07 0.00 -0.31 0.00 0.00 39.34 37.36 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 0.16 -2.46 -0.72 0.00 -1.75 -1.19 119.26 113.30 1juh h ALA 47 Ca -0.22 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.54 1juh h ALA 47 Cb 0.83 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1juh h ALA 47 CO 0.33 -0.04 0.43 -0.59 0.00 0.00 0.00 179.25 179.38 1juh s PHE 48 N -4.48 -0.24 -0.07 0.00 -0.12 -1.26 -3.05 117.98 108.76 1juh s PHE 48 Ca -0.15 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 1juh s PHE 48 Cb 0.05 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 43.03 1juh s PHE 48 CO 0.72 -0.79 -0.21 0.99 -0.05 0.00 0.00 175.22 175.88 1juh s THR 49 N -3.35 2.40 -0.17 -4.49 2.01 -0.06 -4.32 115.64 107.65 1juh s THR 49 Ca 0.09 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1juh s THR 49 Cb -0.02 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.62 1juh s THR 49 CO -0.02 0.56 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.20 1juh s LEU 50 N -0.10 1.71 0.16 4.42 0.20 -0.17 -1.24 118.68 123.66 1juh s LEU 50 Ca -0.04 -0.71 0.06 0.00 0.69 0.00 0.00 54.13 54.13 1juh s LEU 50 Cb -0.14 -0.95 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 1juh s LEU 50 CO 0.04 -0.18 -0.14 0.00 -0.29 0.00 0.00 176.35 175.78 1juh s MET 51 N 1.60 1.15 -0.06 1.98 0.23 -0.40 -1.35 119.30 122.45 1juh s MET 51 Ca 0.00 -1.41 0.06 0.00 -1.03 0.00 0.00 55.69 53.31 1juh s MET 51 Cb -0.15 -0.96 -0.01 0.00 -1.53 0.00 0.00 34.83 32.18 1juh s MET 51 CO -0.08 0.17 -0.25 0.20 -2.03 0.00 0.00 175.02 173.03 1juh s GLY 52 N -2.90 1.31 -0.14 3.16 0.00 0.21 -0.65 107.32 108.30 1juh s GLY 52 Ca 0.16 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1juh s GLY 52 CO 0.04 -0.60 -0.19 -1.59 0.00 0.00 0.00 173.10 170.75 1juh s THR 53 N -0.10 1.87 -0.08 0.90 2.01 0.85 -0.33 115.64 120.77 1juh s THR 53 Ca -0.06 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1juh s THR 53 Cb -0.14 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1juh s THR 53 CO 0.04 0.51 -0.15 0.20 -0.69 0.00 0.00 174.62 174.54 1juh s ASN 54 N 0.97 3.93 0.07 3.53 -0.87 -0.31 -0.78 114.94 121.47 1juh s ASN 54 Ca -0.05 -0.27 -0.26 0.00 -1.57 0.00 0.00 52.86 50.72 1juh s ASN 54 Cb -0.15 -1.08 0.08 0.00 -0.02 0.00 0.00 41.25 40.08 1juh s ASN 54 CO -0.04 0.28 0.69 0.00 -2.57 0.00 0.00 177.10 175.46 1juh s ALA 55 N -0.34 -1.70 0.74 0.60 0.00 -0.83 -1.03 121.76 119.22 1juh s ALA 55 Ca 0.03 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 1juh s ALA 55 Cb -0.13 0.53 0.12 0.00 0.00 0.00 0.00 23.12 23.64 1juh s ALA 55 CO 0.02 -0.64 1.03 -1.25 0.00 0.00 0.00 175.76 174.92 1juh s PRO 56 N -2.94 1.66 0.49 0.00 0.04 -1.26 -2.97 135.00 130.02 1juh s PRO 56 Ca -0.01 -0.82 -0.23 0.00 0.04 0.00 0.00 61.00 59.98 1juh s PRO 56 Cb -0.01 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1juh s PRO 56 CO -0.07 -1.51 1.23 1.58 0.04 0.00 0.00 177.00 178.28 1juh n HIS 57 N -2.96 1.92 -3.91 0.56 -0.00 -1.22 -4.75 115.22 104.85 1juh n HIS 57 Ca 0.13 0.47 -0.11 0.00 -0.00 0.00 0.00 57.72 58.21 1juh n HIS 57 Cb 0.60 -2.33 -0.13 0.00 -0.00 0.00 0.00 29.99 28.14 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 -0.77 0.09 0.00 0.26 0.15 -0.72 -5.00 113.70 107.71 1juh s SER 58 Ca 0.67 -0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.42 1juh s SER 58 Cb -0.47 0.03 0.96 0.00 -1.71 0.00 0.00 66.02 64.83 1juh s SER 58 CO 0.54 -0.09 1.68 0.47 1.20 0.00 0.00 173.24 177.04 1juh n ASP 59 N 2.64 1.54 -4.38 5.45 8.00 -1.26 -4.63 116.55 123.91 1juh n ASP 59 Ca -0.16 -1.57 -0.20 0.00 0.71 0.00 0.00 54.79 53.58 1juh n ASP 59 Cb 0.58 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.93 2.14 0.64 2.24 0.00 -1.26 -5.12 121.76 118.46 1juh s ALA 60 Ca 0.36 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1juh s ALA 60 Cb 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1juh s ALA 60 CO 0.31 -0.04 1.15 1.28 0.00 0.00 0.00 175.76 178.46 1juh n LEU 61 N -0.48 5.03 0.04 0.00 4.77 -1.26 -4.63 117.00 120.47 1juh n LEU 61 Ca -0.07 0.81 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1juh n LEU 61 Cb 0.62 -1.48 0.27 0.00 -2.33 0.00 0.00 43.42 40.50 1juh n LEU 61 CO 0.37 -1.40 0.50 0.61 -1.33 0.00 0.00 177.39 176.15 1juh n GLY 62 N 1.08 -1.39 3.51 -0.72 0.00 0.68 -4.91 105.19 103.45 1juh n GLY 62 Ca 0.15 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.08 0.00 0.51 1.61 0.11 -1.26 -5.00 120.40 113.29 1juh s VAL 63 Ca 0.09 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 1juh s VAL 63 Cb 0.15 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1juh s VAL 63 CO 0.68 0.00 1.17 -1.48 -3.33 0.00 0.00 175.10 172.14 1juh s LEU 64 N -1.30 3.87 0.35 2.54 2.34 -1.26 -4.60 118.68 120.61 1juh s LEU 64 Ca -0.10 2.31 -0.28 0.00 0.06 0.00 0.00 54.13 56.11 1juh s LEU 64 Cb -0.00 -4.41 -0.11 0.00 -0.56 0.00 0.00 46.19 41.11 1juh s LEU 64 CO 0.08 -1.16 1.47 -2.65 -1.06 0.00 0.00 176.35 173.04 1juh n PRO 65 N -0.95 2.57 -3.83 1.48 -0.02 -1.26 -4.82 135.00 128.17 1juh n PRO 65 Ca 0.10 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 1juh n PRO 65 Cb 0.49 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.89 0.01 0.08 6.00 -3.43 -0.73 -1.35 115.29 114.99 1juh s HIS 66 Ca 0.56 -0.59 0.06 0.00 -0.80 0.00 0.00 55.06 54.29 1juh s HIS 66 Cb -0.50 0.78 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 1juh s HIS 66 CO 0.60 -1.39 -0.15 0.42 -2.00 0.00 0.00 174.74 172.22 1juh s ILE 67 N -2.81 1.23 -0.16 -5.38 1.01 0.02 -0.88 121.20 114.23 1juh s ILE 67 Ca 0.14 -1.38 0.01 0.00 0.00 0.00 0.00 60.65 59.43 1juh s ILE 67 Cb -0.05 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1juh s ILE 67 CO 0.09 -0.21 -0.19 -1.00 0.00 0.00 0.00 174.94 173.63 1juh s HIS 68 N -1.32 2.74 -0.41 3.97 3.76 -1.26 -0.72 115.29 122.05 1juh s HIS 68 Ca 0.00 -1.36 0.23 0.00 -0.15 0.00 0.00 55.06 53.79 1juh s HIS 68 Cb -0.10 -1.87 0.23 0.00 1.11 0.00 0.00 32.58 31.95 1juh s HIS 68 CO 0.03 -0.64 1.33 1.96 -0.85 0.00 0.00 174.74 176.56 1juh h GLN 69 N 7.54 0.00 0.00 1.40 4.20 -1.95 0.05 115.11 126.34 1juh h GLN 69 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1juh h GLN 69 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1juh h GLN 69 CO 0.58 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.37 1juh n LYS 70 N -2.67 1.26 -4.63 1.46 5.02 -1.26 -4.66 118.16 112.69 1juh n LYS 70 Ca 0.02 -0.94 -0.23 0.00 -2.02 0.00 0.00 58.31 55.15 1juh n LYS 70 Cb 0.51 -0.84 -0.15 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 -0.48 1.37 -0.28 2.13 3.76 -1.26 -4.43 115.29 116.10 1juh s HIS 71 Ca 0.00 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.51 1juh s HIS 71 Cb 0.00 -0.86 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 1juh s HIS 71 CO 0.00 0.00 0.18 -0.47 -0.85 0.00 0.00 174.74 173.60 1juh s TYR 72 N -0.50 3.21 -0.00 1.40 6.14 0.04 -3.97 117.35 123.65 1juh s TYR 72 Ca 0.05 0.03 -0.04 0.00 0.64 0.00 0.00 57.07 57.75 1juh s TYR 72 Cb -0.07 -2.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.90 1juh s TYR 72 CO 0.00 -0.20 0.22 -2.00 0.64 0.00 0.00 175.55 174.21 1juh s GLU 73 N 1.74 3.50 -0.05 4.97 2.12 -0.33 -1.88 118.70 128.77 1juh s GLU 73 Ca 0.07 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1juh s GLU 73 Cb -0.16 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.17 1juh s GLU 73 CO 0.10 0.66 -0.01 -0.80 -0.54 0.00 0.00 175.26 174.67 1juh s ASN 74 N -1.83 0.92 -0.21 -1.70 0.01 -0.63 -0.87 114.94 110.63 1juh s ASN 74 Ca 0.27 -0.07 -0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1juh s ASN 74 Cb -0.13 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 1juh s ASN 74 CO 0.17 -0.12 -0.01 -0.36 -1.51 0.00 0.00 177.10 175.28 1juh s PHE 75 N 1.28 3.01 -0.07 2.20 0.40 -0.01 -1.84 117.98 122.94 1juh s PHE 75 Ca -0.06 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.66 1juh s PHE 75 Cb -0.13 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 41.30 1juh s PHE 75 CO -0.02 -0.37 -0.16 -0.47 0.70 0.00 0.00 175.22 174.90 1juh s TYR 76 N 1.24 1.78 -0.39 0.36 5.04 -0.31 -0.46 117.35 124.62 1juh s TYR 76 Ca 0.03 -0.67 -0.18 0.00 -2.44 0.00 0.00 57.07 53.81 1juh s TYR 76 Cb -0.15 -1.25 0.01 0.00 0.35 0.00 0.00 41.96 40.92 1juh s TYR 76 CO 0.00 -0.31 0.52 0.00 -1.34 0.00 0.00 175.55 174.42 1juh h ASN 78 N 8.65 0.81 -5.04 0.00 4.21 -1.42 0.20 115.58 122.98 1juh h ASN 78 Ca -0.27 -0.73 0.08 0.00 1.21 0.00 0.00 56.30 56.60 1juh h ASN 78 Cb 1.11 -0.25 -0.08 0.00 -1.12 0.00 0.00 38.32 37.98 1juh h ASN 78 CO 0.81 1.53 0.31 -1.59 -1.29 0.00 0.00 177.43 177.20 1juh s LYS 79 N -3.04 1.44 3.87 0.81 -2.85 -1.20 -4.44 119.74 114.33 1juh s LYS 79 Ca -0.09 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1juh s LYS 79 Cb 0.06 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1juh s LYS 79 CO 0.92 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 176.13 1juh n GLY 80 N -0.42 0.55 3.56 0.59 0.00 -1.14 -1.39 105.19 106.94 1juh n GLY 80 Ca -0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.45 -0.02 1.61 0.15 -1.26 -3.63 113.70 106.10 1juh s SER 81 Ca 0.00 0.47 -0.20 0.00 0.70 0.00 0.00 55.95 56.93 1juh s SER 81 Cb 0.00 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1juh s SER 81 CO 0.00 -0.43 0.43 0.72 1.20 0.00 0.00 173.24 175.15 1juh s PHE 82 N -1.23 -0.33 0.05 3.44 -0.12 -0.68 -0.94 117.98 118.17 1juh s PHE 82 Ca -0.04 0.52 -0.10 0.00 -0.05 0.00 0.00 56.93 57.26 1juh s PHE 82 Cb -0.00 0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.53 1juh s PHE 82 CO 0.04 -0.47 0.36 -1.14 -0.05 0.00 0.00 175.22 173.96 1juh s GLN 83 N -1.37 3.73 -0.04 1.99 0.74 0.32 -0.20 119.66 124.83 1juh s GLN 83 Ca -0.12 0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.46 1juh s GLN 83 Cb -0.03 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1juh s GLN 83 CO 0.06 0.60 -0.14 -1.17 -0.55 0.00 0.00 175.29 174.09 1juh s LEU 84 N -1.77 1.83 0.01 3.68 2.96 0.15 -1.12 118.68 124.41 1juh s LEU 84 Ca 0.30 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1juh s LEU 84 Cb -0.14 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1juh s LEU 84 CO 0.17 0.10 -0.19 0.26 -1.32 0.00 0.00 176.35 175.37 1juh s TRP 85 N 0.20 2.53 -0.12 5.38 0.51 -0.39 -1.67 118.94 125.38 1juh s TRP 85 Ca -0.06 -0.28 -0.16 0.00 -2.12 0.00 0.00 56.10 53.49 1juh s TRP 85 Cb -0.11 -1.51 0.04 0.00 -0.81 0.00 0.00 33.47 31.08 1juh s TRP 85 CO 0.02 0.17 0.42 0.00 -0.51 0.00 0.00 176.95 177.05 1juh s ALA 86 N -0.80 -1.04 -0.15 0.98 0.00 0.00 -2.38 121.76 118.37 1juh s ALA 86 Ca 0.13 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1juh s ALA 86 Cb -0.10 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1juh s ALA 86 CO 0.03 -0.22 0.38 -1.14 0.00 0.00 0.00 175.76 174.80 1juh s GLN 87 N -0.20 0.37 -0.29 0.00 0.74 -0.01 -0.65 119.66 119.63 1juh s GLN 87 Ca -0.04 0.70 -0.09 0.00 0.05 0.00 0.00 55.36 55.99 1juh s GLN 87 Cb -0.03 0.01 -0.01 0.00 1.10 0.00 0.00 33.01 34.07 1juh s GLN 87 CO 0.02 -0.14 0.12 0.45 -0.55 0.00 0.00 175.29 175.19 1juh s SER 88 N 1.15 5.38 1.35 6.67 0.15 -1.26 -0.93 113.70 126.21 1juh s SER 88 Ca -0.08 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1juh s SER 88 Cb -0.08 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1juh s SER 88 CO -0.10 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1juh n GLY 89 N 4.95 3.34 1.52 9.45 0.00 -1.26 -1.34 105.19 121.86 1juh n GLY 89 Ca -0.15 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1juh n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1juh n ASN 90 N 4.24 4.79 -4.77 1.61 0.23 -1.26 -4.96 115.26 115.14 1juh n ASN 90 Ca 0.00 -2.61 -0.32 0.00 -0.53 0.00 0.00 54.58 51.12 1juh n ASN 90 Cb 0.00 -0.58 0.07 0.00 -2.08 0.00 0.00 39.78 37.19 1juh n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1juh s GLU 91 N -2.14 2.51 0.21 -3.83 2.02 -0.45 -4.91 118.70 112.12 1juh s GLU 91 Ca 0.49 1.27 -0.32 0.00 0.02 0.00 0.00 54.97 56.43 1juh s GLU 91 Cb 0.34 -1.92 -0.13 0.00 0.10 0.00 0.00 34.13 32.52 1juh s GLU 91 CO 0.20 -1.46 1.54 2.41 0.02 0.00 0.00 175.26 177.98 1juh n THR 92 N -3.01 0.42 -2.02 3.63 -1.04 -1.26 -4.60 114.28 106.39 1juh n THR 92 Ca 0.10 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1juh n THR 92 Cb 0.53 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 67.39 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 0.36 4.28 0.06 -2.82 0.74 -1.26 -4.79 119.66 116.23 1juh s GLN 93 Ca 0.73 2.30 0.07 0.00 0.05 0.00 0.00 55.36 58.52 1juh s GLN 93 Cb -0.63 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 1juh s GLN 93 CO 0.42 -0.36 -0.16 -0.65 -0.55 0.00 0.00 175.29 173.99 1juh s GLN 94 N -1.02 2.05 -0.03 1.67 -1.52 0.18 -4.33 119.66 116.66 1juh s GLN 94 Ca 0.55 -1.01 -0.08 0.00 -1.95 0.00 0.00 55.36 52.87 1juh s GLN 94 Cb -0.42 -2.21 0.01 0.00 -0.22 0.00 0.00 33.01 30.17 1juh s GLN 94 CO 0.48 0.53 0.19 -0.08 -0.25 0.00 0.00 175.29 176.16 1juh s THR 95 N -1.02 0.04 -0.01 -0.19 -1.32 -0.27 -0.82 115.64 112.05 1juh s THR 95 Ca 0.16 -0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 60.20 1juh s THR 95 Cb -0.11 -0.40 0.01 0.00 -1.51 0.00 0.00 72.50 70.49 1juh s THR 95 CO 0.08 -0.20 0.15 -0.13 -2.21 0.00 0.00 174.62 172.31 1juh s ARG 96 N -0.74 0.43 -0.37 7.08 1.81 -0.67 -2.28 118.95 124.21 1juh s ARG 96 Ca -0.08 -0.25 -0.13 0.00 -1.72 0.00 0.00 55.73 53.54 1juh s ARG 96 Cb -0.05 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.64 1juh s ARG 96 CO 0.01 -0.10 0.25 0.08 -0.68 0.00 0.00 175.30 174.87 1juh s VAL 97 N -1.06 5.10 -0.08 3.52 1.01 0.24 -0.67 120.40 128.45 1juh s VAL 97 Ca -0.11 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1juh s VAL 97 Cb -0.06 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1juh s VAL 97 CO 0.01 -0.16 0.54 -0.76 0.00 0.00 0.00 175.10 174.73 1juh s LEU 98 N 1.67 4.32 0.00 3.92 1.02 0.72 -4.93 118.68 125.40 1juh s LEU 98 Ca 0.05 0.95 0.01 0.00 0.02 0.00 0.00 54.13 55.16 1juh s LEU 98 Cb -0.18 -2.80 0.01 0.00 0.02 0.00 0.00 46.19 43.24 1juh s LEU 98 CO 0.09 0.01 0.11 -1.54 0.02 0.00 0.00 176.35 175.04 1juh n SER 99 N 3.44 2.53 -4.71 2.29 3.41 -1.26 -1.68 113.62 117.63 1juh n SER 99 Ca -0.06 -2.29 -0.59 0.00 -0.26 0.00 0.00 58.87 55.66 1juh n SER 99 Cb 0.51 0.11 -0.08 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 -1.50 2.07 0.00 4.04 7.64 -1.24 -1.04 113.62 123.59 1juh n SER 100 Ca -0.08 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1juh n SER 100 Cb 0.39 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 4.04 1.18 3.84 0.23 0.00 0.69 -4.76 105.19 110.40 1juh n GLY 101 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.98 6.27 0.00 1.61 1.01 -0.21 -3.83 116.67 118.55 1juh s ASP 102 Ca 0.00 1.58 0.01 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 -0.83 -0.04 -0.47 0.21 0.00 0.00 175.17 174.04 1juh s TYR 103 N -2.78 0.36 -0.07 4.23 5.04 -0.24 -1.53 117.35 122.37 1juh s TYR 103 Ca 0.59 -0.14 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 1juh s TYR 103 Cb -0.12 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 41.98 1juh s TYR 103 CO 0.40 -0.03 -0.12 0.20 -1.34 0.00 0.00 175.55 174.67 1juh s GLY 104 N -0.34 0.80 -0.20 8.97 0.00 0.40 -0.96 107.32 115.99 1juh s GLY 104 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.22 1juh s GLY 104 CO -0.00 0.21 0.05 -0.45 0.00 0.00 0.00 173.10 172.90 1juh s SER 105 N 0.79 5.33 -0.51 1.64 0.15 0.43 -0.83 113.70 120.70 1juh s SER 105 Ca -0.12 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1juh s SER 105 Cb -0.15 -1.92 0.14 0.00 -1.71 0.00 0.00 66.02 62.38 1juh s SER 105 CO 0.02 0.11 0.30 -0.69 1.20 0.00 0.00 173.24 174.18 1juh s VAL 106 N 0.76 1.92 1.13 4.45 1.01 -0.05 -2.82 120.40 126.80 1juh s VAL 106 Ca 0.03 -3.10 -0.12 0.00 0.00 0.00 0.00 61.98 58.79 1juh s VAL 106 Cb -0.14 -2.32 0.27 0.00 0.00 0.00 0.00 36.38 34.19 1juh s VAL 106 CO 0.02 -0.92 1.05 -2.84 0.00 0.00 0.00 175.10 172.41 1juh s PRO 107 N -0.19 -0.68 0.61 2.72 0.02 -1.26 -1.19 135.00 135.03 1juh s PRO 107 Ca 0.20 1.00 -0.19 0.00 0.02 0.00 0.00 61.00 62.03 1juh s PRO 107 Cb -0.19 -1.57 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 1juh s PRO 107 CO -0.05 -3.61 1.14 0.54 -0.33 0.00 0.00 177.00 174.69 1juh n ARG 108 N -4.86 1.09 -2.89 5.54 1.74 -1.26 -3.05 116.66 112.97 1juh n ARG 108 Ca 0.05 0.42 -0.19 0.00 -0.77 0.00 0.00 57.85 57.35 1juh n ARG 108 Cb 0.54 -2.35 0.03 0.00 -1.02 0.00 0.00 32.46 29.65 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 -1.18 -5.49 -4.15 0.55 3.02 0.00 -4.86 115.26 103.16 1juh n ASN 109 Ca 0.14 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.12 1juh n ASN 109 Cb 0.47 -4.33 -0.16 0.00 -0.61 0.00 0.00 39.78 35.15 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 -3.08 2.11 0.21 2.41 1.01 -1.17 -4.50 120.40 117.39 1juh s VAL 110 Ca 0.25 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1juh s VAL 110 Cb -0.11 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1juh s VAL 110 CO 0.31 0.54 1.19 -0.89 0.00 0.00 0.00 175.10 176.26 1juh s THR 111 N 1.08 3.49 0.19 3.92 2.01 -0.11 -4.49 115.64 121.74 1juh s THR 111 Ca -0.00 1.31 -0.19 0.00 0.31 0.00 0.00 61.69 63.11 1juh s THR 111 Cb -0.14 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1juh s THR 111 CO -0.08 0.23 0.55 -1.38 -0.69 0.00 0.00 174.62 173.26 1juh s HIS 112 N -0.31 -0.20 0.20 4.92 -3.43 -0.06 -0.83 115.29 115.59 1juh s HIS 112 Ca 0.51 -0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 54.41 1juh s HIS 112 Cb -0.33 0.44 0.05 0.00 -1.43 0.00 0.00 32.58 31.31 1juh s HIS 112 CO 0.38 -0.93 0.88 -0.08 -2.00 0.00 0.00 174.74 172.99 1juh s THR 113 N -3.85 0.00 0.16 -5.38 -1.32 -1.00 -1.77 115.64 102.47 1juh s THR 113 Ca 0.08 -0.79 -0.08 0.00 -1.21 0.00 0.00 61.69 59.69 1juh s THR 113 Cb -0.01 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.93 1juh s THR 113 CO -0.04 0.00 0.25 0.72 -2.21 0.00 0.00 174.62 173.34 1juh s PHE 114 N -3.47 0.44 -0.08 9.09 -0.12 -1.26 -1.26 117.98 121.32 1juh s PHE 114 Ca 0.12 -0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 56.16 1juh s PHE 114 Cb -0.03 -0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1juh s PHE 114 CO 0.04 -0.68 0.18 -1.14 -0.05 0.00 0.00 175.22 173.57 1juh s GLN 115 N -3.97 0.12 -0.02 1.99 0.74 -0.28 -0.23 119.66 118.01 1juh s GLN 115 Ca 0.17 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 1juh s GLN 115 Cb 0.04 -0.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.95 1juh s GLN 115 CO -0.00 -0.18 1.10 0.42 -0.55 0.00 0.00 175.29 176.07 1juh s ILE 116 N 1.36 4.48 -0.22 -2.34 -1.09 -1.26 -0.52 121.20 121.61 1juh s ILE 116 Ca -0.08 1.78 -0.14 0.00 -2.23 0.00 0.00 60.65 59.98 1juh s ILE 116 Cb -0.11 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.54 1juh s ILE 116 CO -0.07 0.08 -0.32 1.67 -1.23 0.00 0.00 174.94 175.06 1juh n GLN 117 N 4.46 0.52 -3.20 2.79 7.27 -0.11 -1.76 117.38 127.34 1juh n GLN 117 Ca 0.09 0.22 -0.28 0.00 0.07 0.00 0.00 57.00 57.09 1juh n GLN 117 Cb 0.48 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.72 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 -6.78 6.43 0.25 1.69 1.01 -1.03 -4.33 116.67 113.91 1juh s ASP 118 Ca -0.32 0.78 -0.03 0.00 0.71 0.00 0.00 52.55 53.69 1juh s ASP 118 Cb 0.10 -2.17 0.42 0.00 1.01 0.00 0.00 42.92 42.28 1juh s ASP 118 CO 0.43 -0.27 1.83 -0.65 0.21 0.00 0.00 175.17 176.72 1juh h PRO 119 N 1.39 0.90 -2.45 8.23 0.11 -1.90 -3.19 132.00 135.10 1juh h PRO 119 Ca -0.48 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 64.87 1juh h PRO 119 Cb 1.19 -0.20 -0.34 0.00 0.11 0.00 0.00 31.00 31.76 1juh h PRO 119 CO 0.65 0.59 0.20 -3.47 -0.21 0.00 0.00 178.00 175.76 1juh n ASP 120 N -4.66 5.57 -4.83 -2.05 2.03 -1.26 -4.14 116.55 107.21 1juh n ASP 120 Ca 0.15 -3.54 -0.37 0.00 0.52 0.00 0.00 54.79 51.54 1juh n ASP 120 Cb 0.26 -0.95 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 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 -3.40 5.23 -0.05 5.18 2.01 -1.16 -2.86 115.64 120.59 1juh s THR 121 Ca 0.39 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.99 1juh s THR 121 Cb 0.15 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1juh s THR 121 CO -0.03 0.55 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.72 1juh s GLU 122 N -0.77 0.80 -0.15 4.92 2.12 -0.48 -1.96 118.70 123.18 1juh s GLU 122 Ca 0.20 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1juh s GLU 122 Cb -0.15 -0.86 0.01 0.00 0.26 0.00 0.00 34.13 33.40 1juh s GLU 122 CO 0.09 -0.11 -0.21 1.41 -0.54 0.00 0.00 175.26 175.89 1juh s MET 123 N 1.05 2.98 -0.23 4.30 -2.45 0.04 -1.06 119.30 123.93 1juh s MET 123 Ca -0.09 -0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 53.43 1juh s MET 123 Cb -0.14 -2.44 -0.04 0.00 1.25 0.00 0.00 34.83 33.46 1juh s MET 123 CO -0.01 -0.06 0.09 0.99 1.05 0.00 0.00 175.02 177.08 1juh s THR 124 N 0.93 4.70 -0.10 10.11 2.01 0.53 -0.10 115.64 133.73 1juh s THR 124 Ca -0.04 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1juh s THR 124 Cb -0.15 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1juh s THR 124 CO -0.04 0.37 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.40 1juh s GLY 125 N 1.17 1.80 -0.19 4.40 0.00 0.17 -1.16 107.32 113.51 1juh s GLY 125 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1juh s GLY 125 CO 0.04 -0.48 -0.14 0.14 0.00 0.00 0.00 173.10 172.66 1juh s VAL 126 N -0.60 1.81 -0.04 1.40 1.01 -0.77 -1.27 120.40 121.94 1juh s VAL 126 Ca 0.10 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1juh s VAL 126 Cb -0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1juh s VAL 126 CO 0.02 0.30 -0.24 -0.63 0.00 0.00 0.00 175.10 174.55 1juh s ILE 127 N 1.35 1.95 -0.05 2.22 1.09 -0.37 -1.60 121.20 125.78 1juh s ILE 127 Ca 0.01 -1.03 0.02 0.00 -1.10 0.00 0.00 60.65 58.55 1juh s ILE 127 Cb -0.15 -1.64 0.02 0.00 -1.06 0.00 0.00 42.46 39.62 1juh s ILE 127 CO -0.10 0.55 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.51 1juh s VAL 128 N -0.29 0.88 1.00 2.92 1.01 -0.79 -0.89 120.40 124.25 1juh s VAL 128 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1juh s VAL 128 Cb -0.12 -0.83 0.20 0.00 0.00 0.00 0.00 36.38 35.63 1juh s VAL 128 CO 0.02 0.30 1.21 -2.16 0.00 0.00 0.00 175.10 174.47 1juh s PRO 129 N 0.68 0.36 0.81 2.72 0.04 -1.26 -0.78 135.00 137.58 1juh s PRO 129 Ca -0.12 -0.12 -0.12 0.00 0.04 0.00 0.00 61.00 60.68 1juh s PRO 129 Cb -0.14 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1juh s PRO 129 CO 0.02 -2.64 1.12 0.20 0.04 0.00 0.00 177.00 175.74 1juh s GLY 130 N -4.41 1.61 0.00 0.56 0.00 -0.45 -4.29 107.32 100.33 1juh s GLY 130 Ca 0.70 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1juh s GLY 130 CO 0.54 0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1juh n GLY 131 N -2.59 0.47 0.34 0.20 0.00 -1.26 -4.74 105.19 97.60 1juh n GLY 131 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.93 -2.67 116.94 117.52 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 0.00 0.22 1.05 -2.23 0.00 0.00 178.31 177.35 1juh h GLU 133 N 0.00 0.00 -0.73 1.11 9.09 -1.94 -2.03 114.58 120.08 1juh h GLU 133 Ca 0.15 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.69 1juh h GLU 133 Cb 0.65 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.70 1juh h GLU 133 CO -0.00 0.00 0.48 -0.44 0.05 0.00 0.00 179.01 179.10 1juh h ASP 134 N 0.00 0.45 -0.81 3.06 3.32 -1.91 -1.24 116.42 119.29 1juh h ASP 134 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1juh h ASP 134 Cb 0.44 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1juh h ASP 134 CO 0.00 0.25 0.49 0.25 -1.72 0.00 0.00 179.24 178.52 1juh h LEU 135 N 0.49 0.77 -0.44 1.55 5.85 -1.63 -2.54 115.31 119.36 1juh h LEU 135 Ca 0.35 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 1juh h LEU 135 Cb 0.68 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1juh h LEU 135 CO -0.12 0.49 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.75 1juh h PHE 136 N 0.90 0.00 -0.36 1.25 0.04 -1.44 -1.10 116.94 116.23 1juh h PHE 136 Ca 0.36 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.05 1juh h PHE 136 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1juh h PHE 136 CO -0.04 0.46 -0.12 1.88 -0.60 0.00 0.00 178.31 179.89 1juh h TYR 137 N 0.00 0.68 0.04 -0.55 0.05 -1.12 0.39 116.97 116.46 1juh h TYR 137 Ca -0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1juh h TYR 137 Cb 1.17 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1juh h TYR 137 CO 0.00 0.71 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.88 1juh h TYR 138 N 0.57 -0.05 0.00 4.88 3.20 -1.23 -3.31 116.97 121.02 1juh h TYR 138 Ca 0.10 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1juh h TYR 138 Cb 0.53 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1juh h TYR 138 CO 0.02 0.52 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.47 1juh h LEU 139 N -0.69 0.00-10.43 2.82 3.38 -1.14 -3.46 115.31 105.79 1juh h LEU 139 Ca -0.01 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1juh h LEU 139 Cb 0.60 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.38 1juh h LEU 139 CO 0.01 0.52 -0.15 -0.83 0.09 0.00 0.00 178.44 178.09 1juh s GLY 140 N -4.41 1.78 -0.16 0.83 0.00 0.14 -4.80 107.32 100.69 1juh s GLY 140 Ca -0.02 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1juh s GLY 140 CO 0.74 -1.17 -0.13 -1.59 0.00 0.00 0.00 173.10 170.96 1juh s THR 141 N -2.54 2.87 0.24 0.90 2.01 -0.28 -4.85 115.64 113.99 1juh s THR 141 Ca 0.53 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1juh s THR 141 Cb -0.10 -2.23 -0.14 0.00 0.01 0.00 0.00 72.50 70.04 1juh s THR 141 CO 0.36 0.50 1.20 0.59 -0.69 0.00 0.00 174.62 176.58 1juh n ASN 142 N 4.09 1.85 -4.26 3.53 3.02 -1.26 -1.06 115.26 121.17 1juh n ASN 142 Ca -0.19 1.16 -0.32 0.00 -0.03 0.00 0.00 54.58 55.20 1juh n ASN 142 Cb 0.52 -1.32 -0.16 0.00 -0.61 0.00 0.00 39.78 38.20 1juh n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1juh s ALA 143 N -0.50 2.25 0.08 5.41 0.00 -0.32 -4.81 121.76 123.87 1juh s ALA 143 Ca 0.66 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1juh s ALA 143 Cb -0.72 -0.85 -0.25 0.00 0.00 0.00 0.00 23.12 21.30 1juh s ALA 143 CO 0.55 0.31 1.15 1.79 0.00 0.00 0.00 175.76 179.56 1juh h THR 144 N 5.52 1.39 -6.65 0.00 1.35 -1.94 -3.41 112.91 109.17 1juh h THR 144 Ca -0.23 -2.70 -0.40 0.00 -0.55 0.00 0.00 66.41 62.53 1juh h THR 144 Cb 1.22 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 70.39 1juh h THR 144 CO 0.48 0.80 -0.80 -0.67 -0.25 0.00 0.00 175.52 175.09 1juh n ASP 145 N -3.68 -3.33 -0.33 5.36 -0.08 -1.26 -4.83 116.55 108.39 1juh n ASP 145 Ca -0.11 -0.84 0.08 0.00 -1.51 0.00 0.00 54.79 52.42 1juh n ASP 145 Cb 0.98 -1.18 0.24 0.00 2.34 0.00 0.00 41.12 43.51 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 -0.48 0.82 -0.01 5.18 2.02 -1.98 -1.46 112.91 117.00 1juh h THR 146 Ca -0.50 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1juh h THR 146 Cb 1.05 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1juh h THR 146 CO 0.32 0.15 -0.03 0.35 0.37 0.00 0.00 175.52 176.68 1juh n THR 147 N -4.73 0.00 -2.58 3.16 -2.24 -1.26 -4.92 114.28 101.70 1juh n THR 147 Ca 0.19 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.67 1juh n THR 147 Cb 0.41 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.63 -1.27 -2.07 4.78 -0.00 -0.55 -4.96 115.22 110.52 1juh n HIS 148 Ca 0.20 0.16 -0.39 0.00 -0.00 0.00 0.00 57.72 57.69 1juh n HIS 148 Cb 0.24 -4.05 -0.01 0.00 -0.00 0.00 0.00 29.99 26.17 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 -3.06 2.65 0.21 1.59 -1.32 -1.26 -4.91 115.64 109.53 1juh s THR 149 Ca 0.09 0.57 -0.17 0.00 -1.21 0.00 0.00 61.69 60.98 1juh s THR 149 Cb -0.04 -3.34 0.20 0.00 -1.51 0.00 0.00 72.50 67.81 1juh s THR 149 CO 0.12 0.08 1.60 -0.65 -2.21 0.00 0.00 174.62 173.55 1juh h PRO 150 N 2.65 -0.08 -3.99 7.08 0.11 -1.95 -3.43 132.00 132.40 1juh h PRO 150 Ca -0.50 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1juh h PRO 150 Cb 1.25 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1juh h PRO 150 CO 0.62 -0.06 -0.44 1.52 -0.21 0.00 0.00 178.00 179.44 1juh s TYR 151 N -6.10 0.39 -0.28 0.65 -0.85 -1.26 -4.64 117.35 105.25 1juh s TYR 151 Ca -0.14 -0.81 -0.29 0.00 -0.52 0.00 0.00 57.07 55.31 1juh s TYR 151 Cb 0.18 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.36 1juh s TYR 151 CO 0.72 -0.58 1.28 0.42 -1.52 0.00 0.00 175.55 175.87 1juh s ILE 152 N -3.93 4.19 0.55 -3.49 -1.09 -1.26 -5.00 121.20 111.16 1juh s ILE 152 Ca 0.12 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.70 1juh s ILE 152 Cb 0.05 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1juh s ILE 152 CO -0.05 -0.43 1.19 -2.16 -1.23 0.00 0.00 174.94 172.26 1juh s PRO 153 N 4.03 3.26 -0.18 2.79 0.04 -1.26 -5.02 135.00 138.67 1juh s PRO 153 Ca 0.55 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1juh s PRO 153 Cb -0.17 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1juh s PRO 153 CO 0.21 -0.97 0.04 0.45 0.04 0.00 0.00 177.00 176.77 1juh n SER 154 N -1.22 -6.40 -3.64 6.66 2.88 -1.26 -5.22 113.62 105.42 1juh n SER 154 Ca 0.11 1.09 -0.08 0.00 -1.33 0.00 0.00 58.87 58.67 1juh n SER 154 Cb 0.49 -3.94 -0.07 0.00 -0.75 0.00 0.00 64.21 59.95 1juh n SER 154 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1juh s PRO 164 N -1.16 0.64 0.97 -1.46 0.02 -1.26 -5.01 135.00 127.74 1juh s PRO 164 Ca -0.05 0.95 -0.12 0.00 0.02 0.00 0.00 61.00 61.80 1juh s PRO 164 Cb 0.00 0.21 0.17 0.00 0.02 0.00 0.00 34.50 34.91 1juh s PRO 164 CO 0.50 -0.11 1.10 0.16 -0.33 0.00 0.00 177.00 178.32 1juh s ASP 165 N 1.02 2.85 0.55 2.53 1.47 -1.26 -4.75 116.67 119.07 1juh s ASP 165 Ca -0.05 1.17 0.25 0.00 1.18 0.00 0.00 52.55 55.10 1juh s ASP 165 Cb -0.05 -1.83 1.45 0.00 -0.34 0.00 0.00 42.92 42.16 1juh s ASP 165 CO -0.11 -2.99 2.03 0.77 0.68 0.00 0.00 175.17 175.55 1juh h SER 166 N -1.80 0.00 -0.08 2.11 4.64 -2.05 -1.55 113.55 114.82 1juh h SER 166 Ca -0.53 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.59 1juh h SER 166 Cb 1.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1juh h SER 166 CO 0.58 0.00 -0.72 0.28 -0.87 0.00 0.00 176.83 176.10 1juh h SER 167 N 0.00 0.77 -0.55 4.97 0.02 -1.98 -1.12 113.55 115.65 1juh h SER 167 Ca 0.18 -0.68 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 1juh h SER 167 Cb 0.80 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1juh h SER 167 CO -0.00 1.33 0.02 0.74 -1.14 0.00 0.00 176.83 177.79 1juh h THR 168 N 0.27 1.26 -0.66 -2.27 2.02 -1.71 0.22 112.91 112.04 1juh h THR 168 Ca -0.07 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1juh h THR 168 Cb 1.37 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1juh h THR 168 CO 0.15 0.39 0.30 0.40 0.37 0.00 0.00 175.52 177.13 1juh h ILE 169 N 0.92 1.23 -0.32 3.11 2.04 -1.30 0.02 117.51 123.21 1juh h ILE 169 Ca 0.17 -0.65 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 1juh h ILE 169 Cb 0.50 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1juh h ILE 169 CO 0.02 0.27 -0.45 0.28 0.00 0.00 0.00 178.15 178.27 1juh h SER 170 N 0.91 0.92 -0.49 1.72 0.02 -0.81 -2.59 113.55 113.23 1juh h SER 170 Ca 0.22 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1juh h SER 170 Cb 0.14 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1juh h SER 170 CO -0.03 1.23 0.28 0.74 -1.14 0.00 0.00 176.83 177.91 1juh h THR 171 N 0.67 1.16 -0.66 -2.27 2.02 -0.26 -2.32 112.91 111.26 1juh h THR 171 Ca 0.04 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1juh h THR 171 Cb 1.04 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1juh h THR 171 CO 0.10 0.17 0.44 -0.07 0.37 0.00 0.00 175.52 176.53 1juh h LEU 172 N 0.64 0.71 -1.73 2.58 3.38 -0.89 -1.86 115.31 118.14 1juh h LEU 172 Ca 0.17 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1juh h LEU 172 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1juh h LEU 172 CO -0.03 0.50 0.30 1.56 0.09 0.00 0.00 178.44 180.85 1juh h GLN 173 N 0.83 0.33 0.00 1.13 4.20 -0.98 0.66 115.11 121.27 1juh h GLN 173 Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1juh h GLN 173 Cb 0.01 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1juh h GLN 173 CO -0.07 0.22 0.00 0.43 -0.67 0.00 0.00 178.83 178.74 1juh n SER 174 N -4.47 0.66 -1.42 1.46 7.64 -0.70 -1.19 113.62 115.59 1juh n SER 174 Ca 0.06 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.70 1juh n SER 174 Cb 0.26 -0.80 0.33 0.00 -1.01 0.00 0.00 64.21 63.00 1juh n SER 174 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1juh n PHE 175 N -2.22 1.16 -3.29 1.43 3.72 0.12 -4.92 117.46 113.46 1juh n PHE 175 Ca 0.02 -0.52 -0.18 0.00 -0.05 0.00 0.00 57.45 56.73 1juh n PHE 175 Cb 0.24 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1juh n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1juh n ASP 176 N 1.41 -5.23 -3.99 4.37 2.03 -0.33 -4.93 116.55 109.87 1juh n ASP 176 Ca 0.24 -0.39 -0.31 0.00 0.52 0.00 0.00 54.79 54.85 1juh n ASP 176 Cb 0.71 -3.83 -0.15 0.00 -0.72 0.00 0.00 41.12 37.13 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 -3.23 1.90 -0.39 5.18 1.01 -0.56 -4.23 120.40 120.08 1juh s VAL 177 Ca 0.43 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 1juh s VAL 177 Cb -0.19 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1juh s VAL 177 CO 0.53 -0.22 0.24 -0.31 0.00 0.00 0.00 175.10 175.33 1juh s TYR 178 N 1.19 3.26 0.35 5.22 1.51 0.10 -2.29 117.35 126.69 1juh s TYR 178 Ca -0.02 -0.99 -0.28 0.00 -1.01 0.00 0.00 57.07 54.76 1juh s TYR 178 Cb -0.19 -2.57 -0.11 0.00 -0.11 0.00 0.00 41.96 38.98 1juh s TYR 178 CO -0.07 -0.68 1.42 0.00 -1.11 0.00 0.00 175.55 175.11 1juh s ALA 179 N 1.56 3.55 -0.66 3.71 0.00 -1.26 -0.80 121.76 127.86 1juh s ALA 179 Ca 0.02 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.47 1juh s ALA 179 Cb -0.20 -3.56 0.16 0.00 0.00 0.00 0.00 23.12 19.52 1juh s ALA 179 CO 0.07 -0.88 0.43 -1.21 0.00 0.00 0.00 175.76 174.17 1juh s GLU 180 N -1.82 2.34 0.52 0.00 0.41 -0.46 -4.89 118.70 114.80 1juh s GLU 180 Ca 0.52 -3.16 0.22 0.00 -0.41 0.00 0.00 54.97 52.14 1juh s GLU 180 Cb -0.44 -3.40 1.37 0.00 -1.78 0.00 0.00 34.13 29.88 1juh s GLU 180 CO 0.57 -1.24 2.11 -0.07 -0.49 0.00 0.00 175.26 176.14 1juh h LEU 181 N 5.70 0.00 -1.37 1.80 3.38 -1.93 -2.66 115.31 120.23 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1juh h LEU 181 CO 0.71 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.79 1juh n SER 182 N -4.07 2.09 -4.71 -0.43 3.41 -1.26 -4.91 113.62 103.74 1juh n SER 182 Ca -0.03 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 1juh n SER 182 Cb 0.17 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.89 3.21 -0.32 7.33 5.36 -1.00 -5.00 117.98 125.67 1juh s PHE 183 Ca 0.34 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1juh s PHE 183 Cb 0.20 -3.57 0.08 0.00 -0.34 0.00 0.00 43.02 39.38 1juh s PHE 183 CO 0.31 -1.96 0.03 0.99 -1.46 0.00 0.00 175.22 173.13 1juh s THR 184 N 1.48 2.75 0.18 0.12 2.01 -1.26 -4.97 115.64 115.94 1juh s THR 184 Ca 0.62 -1.79 -0.33 0.00 0.31 0.00 0.00 61.69 60.50 1juh s THR 184 Cb -0.32 -2.75 -0.14 0.00 0.01 0.00 0.00 72.50 69.30 1juh s THR 184 CO 0.28 -0.33 1.40 -2.65 -0.69 0.00 0.00 174.62 172.64 1juh n PRO 185 N 4.50 1.76 -2.04 4.92 -0.02 -1.26 -4.88 135.00 137.99 1juh n PRO 185 Ca -0.07 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 1juh n PRO 185 Cb 0.42 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.12 3.27 -0.20 -0.52 1.70 -1.26 -4.95 118.95 117.11 1juh s ARG 186 Ca 0.75 1.91 0.12 0.00 -0.47 0.00 0.00 55.73 58.04 1juh s ARG 186 Cb -0.74 -2.16 0.42 0.00 -0.57 0.00 0.00 34.95 31.89 1juh s ARG 186 CO 0.46 -0.99 1.22 0.25 -1.08 0.00 0.00 175.30 175.16 1juh n THR 187 N -1.10 2.06 -1.67 4.99 -2.24 -1.26 -4.69 114.28 110.37 1juh n THR 187 Ca 0.11 -3.11 -0.12 0.00 -2.27 0.00 0.00 64.05 58.66 1juh n THR 187 Cb 0.48 -0.17 0.13 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.99 3.65 -4.76 3.42 5.75 -1.26 -5.05 116.55 117.31 1juh n ASP 188 Ca 0.19 -3.81 -0.41 0.00 -0.01 0.00 0.00 54.79 50.75 1juh n ASP 188 Cb 0.73 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 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 -3.86 2.64 -0.07 2.12 2.01 -1.26 -4.75 115.64 112.46 1juh s THR 189 Ca 0.47 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 1juh s THR 189 Cb 0.41 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.59 1juh s THR 189 CO -0.00 0.12 0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 1juh s VAL 190 N -0.61 -0.07 -1.47 3.82 1.01 -0.28 -4.86 120.40 117.95 1juh s VAL 190 Ca 0.54 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1juh s VAL 190 Cb -0.41 -0.24 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1juh s VAL 190 CO 0.49 0.08 0.91 0.59 0.00 0.00 0.00 175.10 177.17 1juh n ASN 191 N 4.29 -5.22 -0.05 3.32 3.02 -1.26 -1.91 115.26 117.45 1juh n ASN 191 Ca -0.25 -0.60 -0.01 0.00 -0.03 0.00 0.00 54.58 53.69 1juh n ASN 191 Cb 0.51 -4.17 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.67 0.44 3.27 7.41 0.00 -1.26 -4.96 105.19 108.42 1juh n GLY 192 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.85 0.09 -0.21 2.61 -1.32 -0.80 -0.59 115.64 113.57 1juh s THR 193 Ca 0.00 -0.74 -0.27 0.00 -1.21 0.00 0.00 61.69 59.48 1juh s THR 193 Cb 0.00 -1.09 0.09 0.00 -1.51 0.00 0.00 72.50 69.98 1juh s THR 193 CO 0.00 -0.41 0.80 0.00 -2.21 0.00 0.00 174.62 172.80 1juh s ALA 194 N -3.19 -1.83 1.17 11.08 0.00 -0.97 -1.13 121.76 126.90 1juh s ALA 194 Ca -0.01 1.80 -0.19 0.00 0.00 0.00 0.00 51.96 53.56 1juh s ALA 194 Cb 0.01 -0.92 0.28 0.00 0.00 0.00 0.00 23.12 22.49 1juh s ALA 194 CO -0.07 -0.32 1.14 -1.25 0.00 0.00 0.00 175.76 175.25 1juh s PRO 195 N -0.14 -1.01 0.48 0.00 0.04 -1.26 -1.12 135.00 131.99 1juh s PRO 195 Ca -0.02 -0.12 0.18 0.00 0.04 0.00 0.00 61.00 61.08 1juh s PRO 195 Cb -0.03 -1.63 1.17 0.00 0.04 0.00 0.00 34.50 34.05 1juh s PRO 195 CO 0.02 -3.56 2.05 0.00 0.04 0.00 0.00 177.00 175.54 1juh h ALA 196 N -2.47 1.66 -0.66 8.56 0.00 -1.92 -3.24 119.26 121.19 1juh h ALA 196 Ca -0.45 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 1juh h ALA 196 Cb 1.29 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1juh h ALA 196 CO 0.34 0.17 1.76 0.27 0.00 0.00 0.00 179.25 181.79 1juh n ASN 197 N -4.21 7.58 -4.28 0.00 6.94 -1.26 -4.89 115.26 115.14 1juh n ASN 197 Ca -0.02 -3.21 -0.15 0.00 -0.02 0.00 0.00 54.58 51.17 1juh n ASN 197 Cb 0.21 -1.31 -0.10 0.00 -2.36 0.00 0.00 39.78 36.22 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 -1.74 0.93 -0.23 5.53 -4.23 -1.23 -5.14 115.64 109.52 1juh s THR 198 Ca 0.54 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1juh s THR 198 Cb 0.24 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.95 1juh s THR 198 CO -0.14 -0.47 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.69 1juh s VAL 199 N -3.49 2.59 -0.24 2.29 1.01 -1.26 -5.06 120.40 116.24 1juh s VAL 199 Ca 0.24 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1juh s VAL 199 Cb 0.05 -2.30 0.10 0.00 0.00 0.00 0.00 36.38 34.23 1juh s VAL 199 CO 0.05 0.24 0.18 0.86 0.00 0.00 0.00 175.10 176.43 1juh s TRP 200 N 1.28 -0.04 -0.63 5.22 -0.00 -1.26 -4.83 118.94 118.69 1juh s TRP 200 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.80 1juh s TRP 200 Cb -0.16 -0.61 0.00 0.00 -0.00 0.00 0.00 33.47 32.69 1juh s TRP 200 CO -0.06 -0.71 0.00 0.72 -0.00 0.00 0.00 176.95 176.89 1juh n HIS 201 N 5.29 0.00 -0.28 5.86 8.25 -1.26 -4.82 115.22 128.27 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 0.47 -1.69 0.00 0.00 1.12 0.00 0.00 29.99 29.89 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 -2.53 0.18 0.00 1.59 -2.24 -1.26 -5.10 114.28 104.91 1juh n THR 202 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1juh n THR 202 Cb 0.35 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.09 -0.45 3.77 3.38 0.00 -1.26 -5.11 105.19 105.43 1juh n GLY 203 Ca 0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 3.43 -0.15 4.61 0.00 -1.26 -4.79 121.76 121.60 1juh s ALA 204 Ca 0.00 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 1juh s ALA 204 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1juh s ALA 204 CO 0.00 -0.96 -0.13 -0.80 0.00 0.00 0.00 175.76 173.87 1juh s ASN 205 N -0.40 3.85 0.22 0.00 0.02 -0.28 -4.97 114.94 113.38 1juh s ASN 205 Ca 0.54 -0.41 0.05 0.00 -1.02 0.00 0.00 52.86 52.02 1juh s ASN 205 Cb -0.43 -1.60 -0.03 0.00 0.02 0.00 0.00 41.25 39.21 1juh s ASN 205 CO 0.57 0.10 0.34 0.00 0.02 0.00 0.00 177.10 178.13 1juh s ALA 206 N 0.73 3.92 0.42 0.60 0.00 -1.26 -4.00 121.76 122.17 1juh s ALA 206 Ca -0.06 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.47 1juh s ALA 206 Cb -0.15 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 1juh s ALA 206 CO 0.01 0.30 1.08 -0.51 0.00 0.00 0.00 175.76 176.65 1juh s LEU 207 N -3.82 4.09 0.29 0.00 1.02 -1.26 -4.82 118.68 114.18 1juh s LEU 207 Ca 0.34 2.11 -0.30 0.00 0.02 0.00 0.00 54.13 56.31 1juh s LEU 207 Cb -0.09 -4.22 -0.11 0.00 0.02 0.00 0.00 46.19 41.79 1juh s LEU 207 CO 0.29 -0.63 1.51 0.00 0.02 0.00 0.00 176.35 177.54 1juh s ALA 208 N -1.64 3.67 -0.48 4.21 0.00 -1.26 -4.89 121.76 121.37 1juh s ALA 208 Ca 0.60 1.48 0.24 0.00 0.00 0.00 0.00 51.96 54.27 1juh s ALA 208 Cb -0.24 -3.60 0.30 0.00 0.00 0.00 0.00 23.12 19.58 1juh s ALA 208 CO 0.29 -0.90 1.35 0.66 0.00 0.00 0.00 175.76 177.17 1juh h SER 209 N 4.57 0.00 -3.61 0.00 4.64 -1.96 -3.44 113.55 113.75 1juh h SER 209 Ca -0.47 -0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.16 1juh h SER 209 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 1juh h SER 209 CO 0.76 0.04 -0.15 -0.89 -0.87 0.00 0.00 176.83 175.72 1juh s THR 210 N -3.23 5.14 0.36 2.95 2.01 -1.26 -4.93 115.64 116.69 1juh s THR 210 Ca 0.05 0.72 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 1juh s THR 210 Cb 0.10 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.75 1juh s THR 210 CO 0.72 0.16 1.49 0.00 -0.69 0.00 0.00 174.62 176.29 1juh s ALA 211 N 1.96 3.59 0.00 7.40 0.00 -1.26 -2.52 121.76 130.93 1juh s ALA 211 Ca 0.18 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1juh s ALA 211 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1juh s ALA 211 CO 0.09 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1juh n GLY 212 N 0.67 1.71 3.78 0.00 0.00 -1.26 -5.05 105.19 105.03 1juh n GLY 212 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.90 6.77 0.64 1.61 1.01 -1.05 -4.74 116.67 119.02 1juh s ASP 213 Ca 0.00 0.92 -0.13 0.00 0.71 0.00 0.00 52.55 54.05 1juh s ASP 213 Cb 0.00 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1juh s ASP 213 CO 0.00 0.16 1.05 -2.16 0.21 0.00 0.00 175.17 174.43 1juh s PRO 214 N -0.24 3.19 0.16 8.23 0.04 -1.26 -4.72 135.00 140.40 1juh s PRO 214 Ca 0.25 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 1juh s PRO 214 Cb -0.16 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1juh s PRO 214 CO 0.12 -0.90 0.54 1.52 0.04 0.00 0.00 177.00 178.32 1juh s TYR 215 N -2.82 -0.37 0.03 0.56 1.13 -1.13 -4.90 117.35 109.86 1juh s TYR 215 Ca 0.60 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 56.38 1juh s TYR 215 Cb -0.14 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.16 1juh s TYR 215 CO 0.47 -0.83 -0.10 -0.06 -2.51 0.00 0.00 175.55 172.52 1juh s PHE 216 N -3.79 0.84 -0.15 -3.49 0.40 -1.26 -0.43 117.98 110.09 1juh s PHE 216 Ca 0.03 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1juh s PHE 216 Cb -0.00 -0.50 0.04 0.00 0.51 0.00 0.00 43.02 43.06 1juh s PHE 216 CO -0.10 -0.02 -0.06 0.42 0.70 0.00 0.00 175.22 176.16 1juh s ILE 217 N -0.86 1.10 0.37 0.64 -1.09 -0.13 -4.79 121.20 116.43 1juh s ILE 217 Ca -0.02 -0.54 -0.25 0.00 -2.23 0.00 0.00 60.65 57.60 1juh s ILE 217 Cb -0.07 -1.23 -0.09 0.00 -1.58 0.00 0.00 42.46 39.49 1juh s ILE 217 CO 0.01 0.19 1.01 0.00 -1.23 0.00 0.00 174.94 174.92 1juh s ALA 218 N 1.65 3.15 -0.37 9.38 0.00 -1.26 -1.07 121.76 133.23 1juh s ALA 218 Ca 0.02 0.64 -0.41 0.00 0.00 0.00 0.00 51.96 52.20 1juh s ALA 218 Cb -0.15 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.58 1juh s ALA 218 CO -0.08 -0.06 1.88 -1.71 0.00 0.00 0.00 175.76 175.79 1juh n ASN 219 N 0.19 1.88 0.00 0.00 5.15 -1.25 -0.98 115.26 120.25 1juh n ASN 219 Ca 0.04 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 54.92 1juh n ASN 219 Cb 0.50 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 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 5.18 1.86 0.36 8.20 0.00 -1.26 -4.90 105.19 114.62 1juh n GLY 220 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.41 1.61 7.02 -0.16 -4.84 117.44 116.66 1juh n TRP 221 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 1juh n TRP 221 Cb 0.00 -0.06 0.12 0.00 -2.42 0.00 0.00 31.31 28.94 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 1.38 0.26 3.77 6.99 0.00 -1.26 -1.13 105.19 115.21 1juh n GLY 222 Ca 0.10 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.85 4.23 0.09 1.61 0.04 -1.26 -4.90 135.00 129.96 1juh s PRO 223 Ca 0.58 2.39 0.04 0.00 0.04 0.00 0.00 61.00 64.05 1juh s PRO 223 Cb -0.03 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 1juh s PRO 223 CO 0.39 -0.39 -0.12 0.15 0.04 0.00 0.00 177.00 177.07 1juh s LYS 224 N -1.50 0.84 -0.02 4.56 1.02 -1.25 -3.61 119.74 119.77 1juh s LYS 224 Ca 0.54 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1juh s LYS 224 Cb -0.43 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1juh s LYS 224 CO 0.54 0.12 -0.02 0.71 -0.92 0.00 0.00 175.35 175.79 1juh s TYR 225 N -1.92 0.33 -0.23 3.18 1.51 -0.19 -1.00 117.35 119.03 1juh s TYR 225 Ca 0.02 -0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 1juh s TYR 225 Cb -0.06 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1juh s TYR 225 CO 0.01 -0.07 0.19 -1.17 -1.11 0.00 0.00 175.55 173.40 1juh s LEU 226 N 0.51 4.13 -0.14 -1.29 2.96 0.39 -0.82 118.68 124.42 1juh s LEU 226 Ca -0.05 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1juh s LEU 226 Cb -0.08 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1juh s LEU 226 CO -0.01 0.06 -0.10 0.21 -1.32 0.00 0.00 176.35 175.18 1juh s ASN 227 N 1.01 4.23 -0.14 3.68 3.84 0.45 -1.38 114.94 126.63 1juh s ASN 227 Ca 0.09 -0.27 0.17 0.00 0.21 0.00 0.00 52.86 53.06 1juh s ASN 227 Cb -0.13 -1.65 0.36 0.00 -0.55 0.00 0.00 41.25 39.28 1juh s ASN 227 CO 0.04 0.17 1.24 -1.54 -2.79 0.00 0.00 177.10 174.23 1juh n SER 228 N 3.50 2.88 0.02 -4.21 3.41 -1.26 -1.26 113.62 116.71 1juh n SER 228 Ca -0.18 -3.00 -0.16 0.00 -0.26 0.00 0.00 58.87 55.27 1juh n SER 228 Cb 0.53 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.67 0.64 -2.11 4.33 4.20 -1.95 -3.38 115.11 117.50 1juh h GLN 229 Ca 0.00 -0.58 -0.58 0.00 0.06 0.00 0.00 58.65 57.55 1juh h GLN 229 Cb 1.13 0.14 -0.40 0.00 0.30 0.00 0.00 27.48 28.65 1juh h GLN 229 CO 0.08 1.19 -0.92 0.66 -0.67 0.00 0.00 178.83 179.18 1juh n TYR 230 N -3.87 1.05 -3.48 2.96 4.01 -1.26 -5.05 117.16 111.52 1juh n TYR 230 Ca -0.08 -3.77 0.00 0.00 -0.16 0.00 0.00 57.90 53.90 1juh n TYR 230 Cb 0.79 -0.40 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 1.30 -2.09 3.76 2.72 0.00 -1.26 -4.81 105.19 104.81 1juh n GLY 231 Ca 0.24 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.04 3.41 -0.03 1.61 2.02 -1.26 -4.21 117.35 118.84 1juh s TYR 232 Ca 0.00 0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1juh s TYR 232 Cb 0.00 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1juh s TYR 232 CO 0.00 0.45 -0.00 -0.65 -1.57 0.00 0.00 175.55 173.78 1juh s GLN 233 N -0.34 0.30 -0.25 -0.62 -0.21 -0.39 -1.04 119.66 117.11 1juh s GLN 233 Ca 0.10 0.05 -0.04 0.00 0.02 0.00 0.00 55.36 55.49 1juh s GLN 233 Cb -0.12 -0.46 0.01 0.00 1.00 0.00 0.00 33.01 33.44 1juh s GLN 233 CO 0.01 -0.11 -0.02 0.42 -2.12 0.00 0.00 175.29 173.47 1juh s ILE 234 N 0.89 3.33 -0.14 1.08 1.01 0.18 -0.41 121.20 127.14 1juh s ILE 234 Ca -0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1juh s ILE 234 Cb -0.12 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1juh s ILE 234 CO -0.01 0.25 0.30 -0.69 0.00 0.00 0.00 174.94 174.79 1juh s VAL 235 N 1.43 5.29 -0.44 2.92 1.01 0.00 -0.42 120.40 130.19 1juh s VAL 235 Ca 0.03 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1juh s VAL 235 Cb -0.16 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.71 1juh s VAL 235 CO -0.02 0.42 0.18 0.00 0.00 0.00 0.00 175.10 175.68 1juh s ALA 236 N 0.20 3.14 0.40 5.51 0.00 -0.15 -1.02 121.76 129.85 1juh s ALA 236 Ca 0.18 -2.83 -0.27 0.00 0.00 0.00 0.00 51.96 49.03 1juh s ALA 236 Cb -0.13 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 1juh s ALA 236 CO 0.05 -1.85 1.38 -2.14 0.00 0.00 0.00 175.76 173.20 1juh s PRO 237 N 0.48 3.96 -0.08 0.00 0.02 -1.24 -1.70 135.00 136.45 1juh s PRO 237 Ca 0.13 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1juh s PRO 237 Cb -0.22 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.43 1juh s PRO 237 CO -0.05 -0.56 -0.06 1.19 -0.33 0.00 0.00 177.00 177.19 1juh n PHE 238 N 0.19 0.00 -3.82 6.54 3.72 0.54 -4.74 117.46 119.91 1juh n PHE 238 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 1juh n PHE 238 Cb 0.42 -0.32 -0.16 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.17 0.01 0.48 -4.37 1.01 -0.46 -4.94 120.40 109.96 1juh s VAL 239 Ca -0.10 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1juh s VAL 239 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.26 1juh s VAL 239 CO 0.20 0.10 0.07 0.42 0.00 0.00 0.00 175.10 175.89 1juh s THR 240 N 1.05 0.79 0.39 3.92 -4.23 -1.26 -2.22 115.64 114.08 1juh s THR 240 Ca -0.09 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1juh s THR 240 Cb -0.13 -2.13 0.33 0.00 1.34 0.00 0.00 72.50 71.91 1juh s THR 240 CO -0.03 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.96 1juh h ALA 241 N 1.47 1.93 -0.90 3.99 0.00 -1.89 -0.57 119.26 123.30 1juh h ALA 241 Ca -0.39 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1juh h ALA 241 Cb 1.31 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1juh h ALA 241 CO 0.65 -0.14 0.54 1.15 0.00 0.00 0.00 179.25 181.45 1juh h THR 242 N 0.58 0.96 0.11 0.00 2.02 -1.95 0.02 112.91 114.64 1juh h THR 242 Ca 0.39 -0.31 -0.34 0.00 0.77 0.00 0.00 66.41 66.92 1juh h THR 242 Cb 0.70 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1juh h THR 242 CO -0.15 0.17 -1.79 1.56 0.37 0.00 0.00 175.52 175.68 1juh h GLN 243 N 0.92 0.24 -0.15 6.66 7.50 -1.58 -3.39 115.11 125.31 1juh h GLN 243 Ca 0.42 -0.40 -0.18 0.00 0.50 0.00 0.00 58.65 58.99 1juh h GLN 243 Cb 0.34 0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1juh h GLN 243 CO -0.23 1.08 -0.63 0.00 -1.50 0.00 0.00 178.83 177.54 1juh h ALA 244 N 0.35 0.61 -0.62 3.87 0.00 -1.02 -3.43 119.26 119.02 1juh h ALA 244 Ca -0.34 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1juh h ALA 244 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1juh h ALA 244 CO 0.12 0.71 0.00 1.04 0.00 0.00 0.00 179.25 181.12 1juh n GLN 245 N -3.92 0.00 0.00 0.00 1.13 -0.02 -1.25 117.38 113.32 1juh n GLN 245 Ca -0.04 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.07 1juh n GLN 245 Cb 0.65 0.00 0.24 0.00 0.11 0.00 0.00 30.24 31.24 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 1.98 0.00 0.16 1.08 5.75 -1.26 -1.50 116.55 122.76 1juh n ASP 246 Ca 0.00 0.38 0.13 0.00 -0.01 0.00 0.00 54.79 55.29 1juh n ASP 246 Cb 0.00 -0.43 0.54 0.00 -1.03 0.00 0.00 41.12 40.19 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 -6.10 2.12 1.35 -1.56 -3.47 112.91 105.25 1juh h THR 247 Ca 0.00 -0.27 -0.30 0.00 -0.55 0.00 0.00 66.41 65.29 1juh h THR 247 Cb 0.15 1.04 0.03 0.00 -1.73 0.00 0.00 68.15 67.64 1juh h THR 247 CO 0.00 0.00 -0.66 -3.20 -0.25 0.00 0.00 175.52 171.41 1juh n ASN 248 N -2.40 -6.06 -3.76 5.36 5.15 -0.56 -4.88 115.26 108.12 1juh n ASN 248 Ca 0.02 -0.66 -0.08 0.00 -0.60 0.00 0.00 54.58 53.26 1juh n ASN 248 Cb 0.24 -3.49 -0.02 0.00 -0.53 0.00 0.00 39.78 35.98 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 -3.13 -0.25 0.10 1.20 1.13 -1.20 -0.58 117.35 114.61 1juh s TYR 249 Ca 0.14 -0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.71 1juh s TYR 249 Cb -0.05 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1juh s TYR 249 CO 0.83 -1.10 -0.11 0.95 -2.51 0.00 0.00 175.55 173.61 1juh s THR 250 N -3.80 1.01 -0.04 -3.49 -4.23 -0.01 -4.55 115.64 100.54 1juh s THR 250 Ca 0.09 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1juh s THR 250 Cb -0.04 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.47 1juh s THR 250 CO 0.02 -0.49 0.14 -0.22 -0.54 0.00 0.00 174.62 173.53 1juh s LEU 251 N -2.35 1.49 0.00 4.79 2.96 -0.94 -1.24 118.68 123.39 1juh s LEU 251 Ca 0.05 0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.84 1juh s LEU 251 Cb -0.04 0.54 0.08 0.00 0.50 0.00 0.00 46.19 47.28 1juh s LEU 251 CO 0.01 -0.15 1.16 -1.54 -1.32 0.00 0.00 176.35 174.51 1juh n SER 252 N 2.51 -1.49 -4.52 3.68 3.41 -0.32 -0.33 113.62 116.55 1juh n SER 252 Ca -0.16 -1.59 -0.30 0.00 -0.26 0.00 0.00 58.87 56.56 1juh n SER 252 Cb 0.58 2.37 -0.11 0.00 -0.26 0.00 0.00 64.21 66.79 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 -2.03 3.07 -0.13 6.66 -4.23 -0.69 0.06 115.64 118.35 1juh s THR 253 Ca 0.27 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1juh s THR 253 Cb -0.02 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1juh s THR 253 CO 0.03 0.13 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.48 1juh s ILE 254 N -1.15 1.43 -0.01 2.99 1.01 -0.27 -0.98 121.20 124.23 1juh s ILE 254 Ca 0.19 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 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 0.11 0.43 0.14 -0.44 0.00 0.00 0.00 174.94 175.18 1juh s SER 255 N 1.37 6.08 0.01 3.58 0.01 0.44 -1.31 113.70 123.88 1juh s SER 255 Ca 0.01 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.55 1juh s SER 255 Cb -0.13 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1juh s SER 255 CO -0.07 0.27 -0.04 -0.04 0.41 0.00 0.00 173.24 173.77 1juh s MET 256 N -1.81 0.32 0.48 12.44 1.00 0.72 -0.65 119.30 131.80 1juh s MET 256 Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 55.69 55.58 1juh s MET 256 Cb -0.12 -0.16 0.09 0.00 0.00 0.00 0.00 34.83 34.63 1juh s MET 256 CO 0.16 0.03 0.66 -1.13 0.00 0.00 0.00 175.02 174.74 1juh n SER 257 N 2.32 1.07 -4.40 3.03 3.41 -0.21 -2.06 113.62 116.78 1juh n SER 257 Ca -0.17 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.29 1juh n SER 257 Cb 0.57 -0.41 0.15 0.00 -0.26 0.00 0.00 64.21 64.26 1juh n SER 257 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1juh s THR 258 N -1.91 2.03 -0.27 6.66 -4.23 -1.25 -4.35 115.64 112.32 1juh s THR 258 Ca 0.45 -0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1juh s THR 258 Cb -0.03 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1juh s THR 258 CO 0.29 0.00 0.51 -0.89 -0.54 0.00 0.00 174.62 173.99 1juh s THR 259 N -3.71 5.07 0.91 3.99 2.01 -1.26 -4.50 115.64 118.15 1juh s THR 259 Ca 0.70 0.84 -0.13 0.00 0.31 0.00 0.00 61.69 63.41 1juh s THR 259 Cb -0.06 -3.83 0.14 0.00 0.01 0.00 0.00 72.50 68.76 1juh s THR 259 CO 0.51 0.08 1.17 -2.16 -0.69 0.00 0.00 174.62 173.52 1juh s PRO 260 N 2.31 1.11 0.22 4.92 0.04 -1.26 -4.94 135.00 137.40 1juh s PRO 260 Ca 0.21 0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.08 1juh s PRO 260 Cb -0.16 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 1juh s PRO 260 CO 0.09 -2.19 1.29 0.45 0.04 0.00 0.00 177.00 176.69 1juh n SER 261 N -3.73 2.16 0.00 6.66 2.88 -1.26 -1.92 113.62 118.41 1juh n SER 261 Ca 0.08 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1juh n SER 261 Cb 0.60 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1juh n SER 261 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1juh n THR 262 N 1.59 0.00 -3.14 2.46 -2.24 -1.26 -5.02 114.28 106.66 1juh n THR 262 Ca 0.12 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 1juh n THR 262 Cb 0.29 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.06 5.05 -0.08 2.28 1.01 -0.81 -5.07 120.40 120.73 1juh s VAL 263 Ca 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 1juh s VAL 263 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1juh s VAL 263 CO 0.00 0.31 0.03 0.42 0.00 0.00 0.00 175.10 175.86 1juh s THR 264 N 0.54 4.55 0.01 3.92 -4.23 -1.26 -4.78 115.64 114.40 1juh s THR 264 Ca 0.33 -0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1juh s THR 264 Cb -0.17 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 1juh s THR 264 CO 0.16 0.56 1.76 -0.69 -0.54 0.00 0.00 174.62 175.87 1juh s VAL 265 N -0.96 3.22 0.71 2.29 1.01 -1.26 -4.97 120.40 120.45 1juh s VAL 265 Ca 0.15 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 1juh s VAL 265 Cb -0.12 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1juh s VAL 265 CO 0.05 -0.03 1.07 -2.16 0.00 0.00 0.00 175.10 174.03 1juh s PRO 266 N 3.75 2.79 -0.15 2.72 0.04 -1.26 -5.02 135.00 137.87 1juh s PRO 266 Ca 0.78 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1juh s PRO 266 Cb -0.38 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1juh s PRO 266 CO 0.34 -1.20 0.03 0.99 0.04 0.00 0.00 177.00 177.21 1juh s THR 267 N -3.06 4.55 0.24 1.26 2.01 -1.26 -4.52 115.64 114.86 1juh s THR 267 Ca 0.59 -0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.55 1juh s THR 267 Cb -0.14 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1juh s THR 267 CO 0.55 0.51 -0.05 0.26 -0.69 0.00 0.00 174.62 175.20 1juh s TRP 268 N -0.01 2.64 -0.26 4.92 0.52 0.66 -4.93 118.94 122.47 1juh s TRP 268 Ca 0.05 -0.23 -0.13 0.00 0.02 0.00 0.00 56.10 55.81 1juh s TRP 268 Cb -0.12 -1.21 0.09 0.00 -1.15 0.00 0.00 33.47 31.07 1juh s TRP 268 CO 0.01 0.59 0.62 0.45 0.02 0.00 0.00 176.95 178.65 1juh s SER 269 N -3.36 -0.89 0.12 2.95 0.15 -1.26 -1.42 113.70 109.99 1juh s SER 269 Ca 0.29 1.41 0.05 0.00 0.70 0.00 0.00 55.95 58.40 1juh s SER 269 Cb -0.07 1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 65.70 1juh s SER 269 CO 0.18 -0.23 -0.12 -0.36 1.20 0.00 0.00 173.24 173.91 1juh s PHE 270 N 1.94 1.25 0.26 3.44 0.08 -1.26 -4.96 117.98 118.73 1juh s PHE 270 Ca -0.09 -0.65 -0.03 0.00 0.12 0.00 0.00 56.93 56.29 1juh s PHE 270 Cb -0.07 -0.66 0.34 0.00 -0.57 0.00 0.00 43.02 42.06 1juh s PHE 270 CO -0.18 0.08 1.80 -1.00 -0.10 0.00 0.00 175.22 175.82 1juh h PRO 271 N 3.30 0.90 -6.04 0.24 0.13 -1.93 0.42 132.00 129.02 1juh h PRO 271 Ca -0.38 -0.19 -0.56 0.00 -0.87 0.00 0.00 66.00 64.00 1juh h PRO 271 Cb 1.19 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1juh h PRO 271 CO 0.55 0.81 -0.45 0.20 -0.23 0.00 0.00 178.00 178.88 1juh s GLY 272 N -3.60 1.88 0.78 1.56 0.00 -1.25 -3.99 107.32 102.69 1juh s GLY 272 Ca -0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 1juh s GLY 272 CO 0.81 -0.91 1.22 0.00 0.00 0.00 0.00 173.10 174.22 1juh s ALA 273 N -1.70 1.93 0.18 3.20 0.00 -1.26 -4.11 121.76 120.00 1juh s ALA 273 Ca 0.36 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1juh s ALA 273 Cb -0.12 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1juh s ALA 273 CO 0.28 -2.18 0.35 0.00 0.00 0.00 0.00 175.76 174.21 1juh s ALA 275 N -3.96 -1.45 0.03 0.00 0.00 -0.23 -0.78 121.76 115.37 1juh s ALA 275 Ca 0.16 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 1juh s ALA 275 Cb 0.02 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1juh s ALA 275 CO 0.01 -0.83 0.34 -0.59 0.00 0.00 0.00 175.76 174.68 1juh s PHE 276 N -3.80 -0.16 -0.11 0.00 -0.12 -0.58 -1.25 117.98 111.95 1juh s PHE 276 Ca 0.04 0.09 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 1juh s PHE 276 Cb -0.02 0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1juh s PHE 276 CO -0.08 -0.51 -0.21 -1.14 -0.05 0.00 0.00 175.22 173.23 1juh s GLN 277 N -2.34 2.85 0.17 1.99 0.74 -0.10 -0.73 119.66 122.25 1juh s GLN 277 Ca -0.06 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.24 1juh s GLN 277 Cb -0.01 -2.24 -0.08 0.00 1.10 0.00 0.00 33.01 31.77 1juh s GLN 277 CO -0.02 0.07 1.27 0.08 -0.55 0.00 0.00 175.29 176.14 1juh s VAL 278 N 0.62 3.41 -0.24 1.34 1.01 -0.48 -0.61 120.40 125.45 1juh s VAL 278 Ca -0.13 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.95 1juh s VAL 278 Cb -0.17 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 1juh s VAL 278 CO 0.03 0.16 -0.25 0.00 0.00 0.00 0.00 175.10 175.04 1juh n GLN 279 N 2.81 0.55 -3.86 2.72 1.13 0.46 -0.16 117.38 121.03 1juh n GLN 279 Ca 0.06 0.18 -0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1juh n GLN 279 Cb 0.44 -1.41 -0.13 0.00 0.11 0.00 0.00 30.24 29.24 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 -2.45 0.09 0.00 -1.09 2.12 -0.86 -4.67 118.70 111.84 1juh s GLU 280 Ca -0.32 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1juh s GLU 280 Cb 0.10 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1juh s GLU 280 CO 0.48 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1juh n GLY 281 N 2.90 -1.53 2.68 -1.50 0.00 -1.26 -0.78 105.19 105.70 1juh n GLY 281 Ca -0.13 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 -0.09 1.61 0.52 -1.26 -4.28 118.95 115.45 1juh s ARG 282 Ca 0.00 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 1juh s ARG 282 Cb 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1juh s ARG 282 CO 0.00 -0.46 -0.20 0.08 0.02 0.00 0.00 175.30 174.74 1juh s VAL 283 N 2.19 1.77 -0.08 3.52 1.01 -0.73 -0.50 120.40 127.58 1juh s VAL 283 Ca 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1juh s VAL 283 Cb -0.14 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1juh s VAL 283 CO -0.06 0.49 0.37 -0.69 0.00 0.00 0.00 175.10 175.21 1juh s VAL 284 N 0.46 5.17 0.02 2.92 1.01 0.07 0.14 120.40 130.20 1juh s VAL 284 Ca -0.17 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1juh s VAL 284 Cb -0.17 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1juh s VAL 284 CO 0.07 0.48 -0.19 0.54 0.00 0.00 0.00 175.10 176.00 1juh s VAL 285 N -0.32 1.49 -0.10 2.92 0.11 0.06 -1.97 120.40 122.59 1juh s VAL 285 Ca 0.22 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1juh s VAL 285 Cb -0.15 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 1juh s VAL 285 CO 0.09 0.27 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.53 1juh s GLN 286 N -0.84 0.88 -0.08 1.54 0.74 -0.06 -1.34 119.66 120.51 1juh s GLN 286 Ca 0.06 -0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.45 1juh s GLN 286 Cb -0.08 -1.27 0.00 0.00 1.10 0.00 0.00 33.01 32.76 1juh s GLN 286 CO 0.01 -0.33 -0.19 0.42 -0.55 0.00 0.00 175.29 174.65 1juh s ILE 287 N 1.88 1.63 0.00 -2.34 1.01 -1.26 -1.19 121.20 120.93 1juh s ILE 287 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1juh s ILE 287 Cb -0.13 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1juh s ILE 287 CO -0.06 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1juh n GLY 288 N 3.56 2.90 1.17 6.18 0.00 -0.19 -1.73 105.19 117.07 1juh n GLY 288 Ca -0.20 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 2.05 3.41 -4.87 1.61 8.00 -1.26 -4.96 116.55 120.53 1juh n ASP 289 Ca 0.00 -2.08 -0.30 0.00 0.71 0.00 0.00 54.79 53.12 1juh n ASP 289 Cb 0.00 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.31 3.58 0.42 1.24 1.51 -0.71 -4.56 117.35 117.52 1juh s TYR 290 Ca 0.41 1.21 -0.25 0.00 -1.01 0.00 0.00 57.07 57.43 1juh s TYR 290 Cb 0.22 -2.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.36 1juh s TYR 290 CO 0.26 -0.52 1.24 0.00 -1.11 0.00 0.00 175.55 175.42 1juh s ALA 291 N -2.96 3.16 0.55 3.71 0.00 -0.43 -4.45 121.76 121.33 1juh s ALA 291 Ca 0.54 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 53.40 1juh s ALA 291 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1juh s ALA 291 CO 0.47 -0.73 1.25 0.00 0.00 0.00 0.00 175.76 176.75 1juh s ALA 292 N -1.35 2.74 -0.01 0.00 0.00 -1.26 -4.57 121.76 117.31 1juh s ALA 292 Ca 0.59 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1juh s ALA 292 Cb -0.34 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 1juh s ALA 292 CO 0.43 -1.11 -0.07 0.99 0.00 0.00 0.00 175.76 176.00 1juh s THR 293 N -1.48 0.57 -0.23 0.00 2.01 -0.45 -4.97 115.64 111.09 1juh s THR 293 Ca 0.72 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 1juh s THR 293 Cb -0.33 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1juh s THR 293 CO 0.38 0.16 0.29 -0.70 -0.69 0.00 0.00 174.62 174.07 1juh s GLU 294 N -0.13 4.10 0.02 4.92 2.12 -1.26 -0.76 118.70 127.71 1juh s GLU 294 Ca 0.02 -0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.29 1juh s GLU 294 Cb -0.03 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1juh s GLU 294 CO -0.00 -0.05 0.23 -0.51 -0.54 0.00 0.00 175.26 174.39 1juh s LEU 295 N 1.36 4.36 0.00 2.70 1.02 0.12 -4.93 118.68 123.31 1juh s LEU 295 Ca 0.13 0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.70 1juh s LEU 295 Cb -0.14 -2.77 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1juh s LEU 295 CO 0.07 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.27 1juh n GLY 296 N 0.78 4.60 3.65 -3.19 0.00 -1.26 -1.78 105.19 107.99 1juh n GLY 296 Ca -0.09 -2.12 -0.56 0.00 0.00 0.00 0.00 46.02 43.25 1juh n GLY 296 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1juh n SER 297 N -1.09 1.87 0.00 1.61 7.64 -1.26 -1.53 113.62 120.86 1juh n SER 297 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1juh n SER 297 Cb 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1juh n SER 297 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1juh n GLY 298 N 3.30 2.45 3.77 0.23 0.00 0.77 -4.56 105.19 111.15 1juh n GLY 298 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.66 6.14 -0.07 1.61 1.01 -0.58 -3.86 116.67 117.26 1juh s ASP 299 Ca 0.00 2.38 0.05 0.00 0.71 0.00 0.00 52.55 55.70 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 -0.94 -0.24 -0.69 0.21 0.00 0.00 175.17 173.50 1juh s VAL 300 N -1.48 2.10 -0.08 -1.27 1.01 -0.49 -1.39 120.40 118.80 1juh s VAL 300 Ca 0.63 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1juh s VAL 300 Cb -0.31 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1juh s VAL 300 CO 0.38 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.89 1juh s ALA 301 N -0.04 2.58 -0.10 5.51 0.00 0.09 -1.03 121.76 128.77 1juh s ALA 301 Ca -0.07 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1juh s ALA 301 Cb -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1juh s ALA 301 CO 0.05 0.42 -0.21 0.12 0.00 0.00 0.00 175.76 176.14 1juh s PHE 302 N -0.25 2.36 -0.24 0.00 5.36 0.18 -1.53 117.98 123.87 1juh s PHE 302 Ca 0.01 -1.00 0.02 0.00 -0.96 0.00 0.00 56.93 55.00 1juh s PHE 302 Cb -0.13 -1.60 0.05 0.00 -0.34 0.00 0.00 43.02 41.00 1juh s PHE 302 CO 0.03 -0.42 -0.12 0.42 -1.46 0.00 0.00 175.22 173.67 1juh s ILE 303 N 0.49 2.03 0.58 3.12 1.09 0.04 -2.40 121.20 126.15 1juh s ILE 303 Ca -0.16 -1.41 -0.20 0.00 -1.10 0.00 0.00 60.65 57.77 1juh s ILE 303 Cb -0.17 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 1juh s ILE 303 CO 0.06 0.08 1.29 -2.65 -0.10 0.00 0.00 174.94 173.62 1juh n PRO 304 N 4.51 1.42 -1.95 2.79 -0.02 -1.26 -1.63 135.00 138.87 1juh n PRO 304 Ca -0.15 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 1juh n PRO 304 Cb 0.44 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1juh n PRO 304 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1juh s GLY 305 N -1.09 2.87 0.00 -1.23 0.00 -1.26 -2.26 107.32 104.35 1juh s GLY 305 Ca 0.75 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.70 1juh s GLY 305 CO 0.46 1.75 0.00 0.61 0.00 0.00 0.00 173.10 175.92 1juh n GLY 306 N 0.63 1.75 3.80 0.20 0.00 0.15 -4.88 105.19 106.84 1juh n GLY 306 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.21 5.43 0.43 1.61 1.01 -0.96 -4.92 120.40 119.78 1juh s VAL 307 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1juh s VAL 307 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1juh s VAL 307 CO 0.00 0.52 1.10 -1.61 0.00 0.00 0.00 175.10 175.10 1juh s GLU 308 N -0.27 3.97 0.10 2.72 2.02 -1.26 -4.62 118.70 121.37 1juh s GLU 308 Ca 0.12 1.62 -0.19 0.00 0.02 0.00 0.00 54.97 56.54 1juh s GLU 308 Cb -0.12 -2.46 0.04 0.00 0.10 0.00 0.00 34.13 31.69 1juh s GLU 308 CO 0.02 -0.33 0.46 -0.59 0.02 0.00 0.00 175.26 174.84 1juh s PHE 309 N -1.63 -0.32 0.03 1.61 -0.71 -0.51 -1.03 117.98 115.43 1juh s PHE 309 Ca 0.61 0.13 0.01 0.00 -1.04 0.00 0.00 56.93 56.64 1juh s PHE 309 Cb -0.24 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.87 1juh s PHE 309 CO 0.30 -0.70 -0.06 0.15 -1.34 0.00 0.00 175.22 173.58 1juh s LYS 310 N -3.34 0.42 -0.01 1.99 1.02 -0.33 -0.25 119.74 119.23 1juh s LYS 310 Ca -0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 55.97 55.27 1juh s LYS 310 Cb 0.01 -0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1juh s LYS 310 CO -0.09 0.03 0.30 1.52 -0.92 0.00 0.00 175.35 176.19 1juh s TYR 311 N -1.11 -0.17 0.12 3.18 1.13 -1.26 -0.88 117.35 118.37 1juh s TYR 311 Ca -0.09 0.24 -0.19 0.00 -1.41 0.00 0.00 57.07 55.62 1juh s TYR 311 Cb -0.08 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 1juh s TYR 311 CO -0.00 -0.38 0.47 1.52 -2.51 0.00 0.00 175.55 174.65 1juh s TYR 312 N -1.32 -0.33 -0.19 -3.49 -0.85 -0.83 -4.89 117.35 105.45 1juh s TYR 312 Ca -0.14 0.10 -0.15 0.00 -0.52 0.00 0.00 57.07 56.36 1juh s TYR 312 Cb -0.05 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1juh s TYR 312 CO 0.04 -0.73 0.35 0.45 -1.52 0.00 0.00 175.55 174.14 1juh s SER 313 N -2.64 6.42 0.02 -0.18 0.15 -1.26 -0.75 113.70 115.46 1juh s SER 313 Ca 0.01 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.20 1juh s SER 313 Cb 0.01 -2.21 -0.24 0.00 -1.71 0.00 0.00 66.02 61.87 1juh s SER 313 CO -0.11 -0.01 0.91 -0.33 1.20 0.00 0.00 173.24 174.90 1juh h GLU 314 N 7.16 0.10 -7.24 5.44 4.39 -1.15 -3.42 114.58 119.86 1juh h GLU 314 Ca -0.38 -0.17 -0.49 0.00 0.34 0.00 0.00 59.36 58.66 1juh h GLU 314 Cb 1.16 0.06 0.06 0.00 -0.10 0.00 0.00 28.75 29.94 1juh h GLU 314 CO 0.72 0.89 0.38 0.00 -1.16 0.00 0.00 179.01 179.85 1juh s ALA 315 N -2.64 2.83 0.48 3.43 0.00 -1.09 -4.93 121.76 119.84 1juh s ALA 315 Ca -0.05 0.23 0.27 0.00 0.00 0.00 0.00 51.96 52.41 1juh s ALA 315 Cb 0.08 -3.18 1.53 0.00 0.00 0.00 0.00 23.12 21.55 1juh s ALA 315 CO 0.83 -0.77 2.13 1.88 0.00 0.00 0.00 175.76 179.83 1juh h TYR 316 N 0.20 0.00 -2.75 0.00 0.05 -1.91 -3.40 116.97 109.17 1juh h TYR 316 Ca -0.46 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.18 1juh h TYR 316 Cb 1.21 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.67 1juh h TYR 316 CO 0.61 0.08 -0.37 0.12 -1.05 0.00 0.00 178.16 177.56 1juh s PHE 317 N -4.39 -0.53 0.07 4.88 2.19 -1.26 -3.92 117.98 115.03 1juh s PHE 317 Ca -0.04 1.15 0.03 0.00 0.33 0.00 0.00 56.93 58.41 1juh s PHE 317 Cb 0.14 0.19 -0.03 0.00 -1.31 0.00 0.00 43.02 42.01 1juh s PHE 317 CO 0.58 -0.32 -0.10 -1.12 1.83 0.00 0.00 175.22 176.09 1juh s SER 318 N 1.51 1.27 -0.04 6.13 0.01 -0.88 -4.36 113.70 117.34 1juh s SER 318 Ca -0.08 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.47 1juh s SER 318 Cb -0.09 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1juh s SER 318 CO -0.11 -0.23 -0.02 -0.75 0.41 0.00 0.00 173.24 172.53 1juh s LYS 319 N -2.33 0.63 0.15 12.44 2.20 0.04 -0.20 119.74 132.67 1juh s LYS 319 Ca -0.00 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.67 1juh s LYS 319 Cb -0.06 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.49 1juh s LYS 319 CO 0.00 -0.12 -0.18 0.14 -0.36 0.00 0.00 175.35 174.83 1juh s VAL 320 N 1.06 1.74 -0.20 4.02 -7.23 -0.43 -0.40 120.40 118.96 1juh s VAL 320 Ca -0.09 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1juh s VAL 320 Cb -0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1juh s VAL 320 CO -0.01 -0.31 0.37 -0.22 -0.31 0.00 0.00 175.10 174.62 1juh s LEU 321 N -2.58 4.15 -0.05 1.32 2.96 0.22 -1.11 118.68 123.59 1juh s LEU 321 Ca 0.14 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 1juh s LEU 321 Cb -0.06 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1juh s LEU 321 CO 0.06 -0.05 -0.20 0.12 -1.32 0.00 0.00 176.35 174.95 1juh s PHE 322 N 1.25 2.05 -0.01 5.38 5.36 0.11 -0.92 117.98 131.20 1juh s PHE 322 Ca 0.18 -0.63 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 1juh s PHE 322 Cb -0.15 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 1juh s PHE 322 CO 0.07 -0.21 -0.12 0.54 -1.46 0.00 0.00 175.22 174.04 1juh s VAL 323 N 0.02 0.93 -0.02 3.12 0.11 -0.38 -1.17 120.40 123.01 1juh s VAL 323 Ca -0.06 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1juh s VAL 323 Cb -0.13 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1juh s VAL 323 CO 0.03 0.24 0.06 -0.55 -3.33 0.00 0.00 175.10 171.55 1juh s SER 324 N -0.33 -0.05 0.03 3.54 0.15 -0.37 -1.07 113.70 115.59 1juh s SER 324 Ca 0.04 0.11 -0.26 0.00 0.70 0.00 0.00 55.95 56.55 1juh s SER 324 Cb -0.05 0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 1juh s SER 324 CO -0.00 -0.03 0.81 -0.55 1.20 0.00 0.00 173.24 174.67 1juh s SER 325 N 0.15 7.23 0.00 5.45 0.15 -0.05 -0.83 113.70 125.81 1juh s SER 325 Ca -0.01 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1juh s SER 325 Cb -0.02 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1juh s SER 325 CO -0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1juh n GLY 326 N 2.59 1.62 0.04 9.45 0.00 0.25 -3.97 105.19 115.17 1juh n GLY 326 Ca -0.00 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 0.94 -2.61 1.61 3.41 -1.26 -3.27 113.62 112.44 1juh n SER 327 Ca 0.00 -0.83 -0.15 0.00 -0.26 0.00 0.00 58.87 57.63 1juh n SER 327 Cb 0.00 0.75 0.02 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.38 2.49 -2.27 4.04 9.92 -1.26 -4.85 116.55 123.24 1juh n ASP 328 Ca 0.05 -3.04 0.00 0.00 -0.53 0.00 0.00 54.79 51.27 1juh n ASP 328 Cb 0.34 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1juh n ASP 328 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1juh n GLY 329 N -0.19 -1.42 0.25 0.44 0.00 -1.26 -4.59 105.19 98.42 1juh n GLY 329 Ca 0.19 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.64 -0.50 0.99 5.85 -1.97 -0.88 115.31 118.16 1juh h LEU 330 Ca 0.00 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1juh h LEU 330 Cb 0.00 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1juh h LEU 330 CO 0.00 -0.22 0.18 -2.24 -0.34 0.00 0.00 178.44 175.82 1juh h ASP 331 N -0.01 0.71 0.06 1.25 2.03 -1.98 -0.26 116.42 118.21 1juh h ASP 331 Ca 0.31 -0.18 -0.08 0.00 -0.73 0.00 0.00 57.03 56.34 1juh h ASP 331 Cb 0.48 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1juh h ASP 331 CO -0.67 0.70 -0.26 -0.61 -1.03 0.00 0.00 179.24 177.37 1juh h GLN 332 N 0.68 0.33 -0.36 4.15 5.75 -1.79 -0.86 115.11 123.01 1juh h GLN 332 Ca 0.17 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1juh h GLN 332 Cb 0.23 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1juh h GLN 332 CO -0.01 0.58 0.10 -0.97 -2.65 0.00 0.00 178.83 175.88 1juh h ASN 333 N 0.30 0.54 -0.63 -0.69 -0.73 -0.58 0.36 115.58 114.14 1juh h ASN 333 Ca 0.05 -0.22 -0.10 0.00 1.87 0.00 0.00 56.30 57.90 1juh h ASN 333 Cb 0.63 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1juh h ASN 333 CO 0.05 0.62 0.02 -0.07 -0.37 0.00 0.00 177.43 177.67 1juh h LEU 334 N 0.44 1.07 0.10 0.34 3.38 -0.78 -1.75 115.31 118.10 1juh h LEU 334 Ca 0.12 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1juh h LEU 334 Cb 0.28 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1juh h LEU 334 CO -0.00 1.10 -0.05 0.58 0.09 0.00 0.00 178.44 180.16 1juh h VAL 335 N 1.00 0.91 -0.03 1.22 2.07 -0.93 -1.80 116.25 118.69 1juh h VAL 335 Ca 0.18 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1juh h VAL 335 Cb 0.54 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1juh h VAL 335 CO 0.03 0.01 -0.04 0.78 0.02 0.00 0.00 177.57 178.36 1juh h ASN 336 N -0.14 0.03 -0.18 0.57 2.35 -0.74 -1.26 115.58 116.21 1juh h ASN 336 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1juh h ASN 336 Cb 0.11 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1juh h ASN 336 CO 0.02 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 1juh n GLY 337 N -1.36 0.51 0.00 2.83 0.00 -0.68 -4.93 105.19 101.57 1juh n GLY 337 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.21 5.78 3.12 -0.02 0.00 -0.47 -4.73 105.19 110.06 1juh n GLY 338 Ca 0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1juh n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1juh s GLU 339 N 1.80 0.63 0.39 1.61 0.41 -0.48 -4.95 118.70 118.11 1juh s GLU 339 Ca 0.00 -0.89 -0.27 0.00 -0.41 0.00 0.00 54.97 53.40 1juh s GLU 339 Cb 0.00 0.24 -0.11 0.00 -1.78 0.00 0.00 34.13 32.48 1juh s GLU 339 CO 0.00 -0.16 1.31 0.39 -0.49 0.00 0.00 175.26 176.32 1juh n GLU 340 N 0.50 2.12 -3.87 1.61 1.02 -1.26 -0.47 120.64 120.29 1juh n GLU 340 Ca -0.17 0.75 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 1juh n GLU 340 Cb 0.60 -2.41 -0.14 0.00 -0.02 0.00 0.00 31.44 29.47 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 -1.15 -0.00 -0.28 -0.32 -0.11 -0.17 -4.70 118.94 112.22 1juh s TRP 341 Ca 0.58 0.02 0.11 0.00 1.22 0.00 0.00 56.10 58.03 1juh s TRP 341 Cb -0.52 -0.01 0.62 0.00 -1.50 0.00 0.00 33.47 32.06 1juh s TRP 341 CO 0.60 -0.03 1.62 -1.13 -4.62 0.00 0.00 176.95 173.39 1juh n SER 342 N 2.93 3.96 -4.01 5.86 3.41 -1.26 -3.96 113.62 120.55 1juh n SER 342 Ca -0.13 -3.31 -0.08 0.00 -0.26 0.00 0.00 58.87 55.09 1juh n SER 342 Cb 0.59 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1juh n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1juh s SER 343 N -1.68 0.31 0.06 4.04 0.15 -1.26 -5.00 113.70 110.33 1juh s SER 343 Ca 0.49 -0.66 0.28 0.00 0.70 0.00 0.00 55.95 56.76 1juh s SER 343 Cb 0.41 0.14 1.02 0.00 -1.71 0.00 0.00 66.02 65.88 1juh s SER 343 CO 0.09 -0.41 1.82 1.33 1.20 0.00 0.00 173.24 177.27 1juh n VAL 344 N 1.07 0.19 -3.99 4.45 0.24 -1.26 -4.79 118.33 114.23 1juh n VAL 344 Ca -0.20 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.34 61.68 1juh n VAL 344 Cb 0.57 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.49 6.02 0.55 -1.34 0.01 -1.26 -5.02 113.70 109.16 1juh s SER 345 Ca 0.12 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.59 1juh s SER 345 Cb 0.17 -1.78 0.03 0.00 0.21 0.00 0.00 66.02 64.65 1juh s SER 345 CO 0.57 0.21 0.77 0.72 0.41 0.00 0.00 173.24 175.92 1juh s PHE 346 N -1.38 2.81 0.62 2.43 -0.12 -1.26 -5.03 117.98 116.05 1juh s PHE 346 Ca 0.29 -0.05 -0.18 0.00 -0.05 0.00 0.00 56.93 56.95 1juh s PHE 346 Cb -0.13 -2.73 -0.05 0.00 -0.63 0.00 0.00 43.02 39.48 1juh s PHE 346 CO 0.22 -0.87 0.81 -2.30 -0.05 0.00 0.00 175.22 173.03 1juh n PRO 347 N -2.32 0.68 0.10 1.99 -0.02 -1.26 -4.91 135.00 129.26 1juh n PRO 347 Ca 0.08 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1juh n PRO 347 Cb 0.60 -2.02 0.43 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.91 2.25 -2.47 3.55 0.00 -1.26 -4.81 120.51 115.87 1juh n ALA 348 Ca 0.13 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 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 -4.36 2.92 0.00 0.00 1.01 -1.26 -5.29 116.67 109.69 1juh s ASP 349 Ca 0.11 -0.72 0.23 0.00 0.71 0.00 0.00 52.55 52.88 1juh s ASP 349 Cb 0.13 -0.18 1.40 0.00 1.01 0.00 0.00 42.92 45.28 1juh s ASP 349 CO 0.58 0.12 1.77 0.79 0.21 0.00 0.00 175.17 178.63