#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upb n THR 13 N 0.00 0.00 0.14 0.52 -2.24 -1.26 -4.57 114.28 106.86 1upb n THR 13 Ca 0.00 -1.83 0.15 0.00 -2.27 0.00 0.00 64.05 60.09 1upb n THR 13 Cb 0.00 -0.13 0.69 0.00 -2.10 0.00 0.00 70.33 68.79 1upb n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upb h ALA 14 N 0.65 2.19 -0.43 6.98 0.00 -1.22 -1.26 119.26 126.17 1upb h ALA 14 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1upb h ALA 14 Cb 1.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1upb h ALA 14 CO 0.45 -0.33 0.27 0.00 0.00 0.00 0.00 179.25 179.65 1upb h ALA 15 N 1.85 0.55 -0.13 0.00 0.00 -1.56 0.13 119.26 120.10 1upb h ALA 15 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1upb h ALA 15 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1upb h ALA 15 CO -0.00 0.03 0.05 1.25 0.00 0.00 0.00 179.25 180.58 1upb h HIS 16 N 0.58 0.20 -0.23 0.00 6.17 -1.58 -2.29 115.15 117.99 1upb h HIS 16 Ca 0.16 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1upb h HIS 16 Cb -0.03 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 1upb h HIS 16 CO -0.04 0.28 0.09 0.00 0.71 0.00 0.00 177.93 178.97 1upb h ALA 17 N 0.90 1.72 0.12 5.26 0.00 -1.12 -0.63 119.26 125.51 1upb h ALA 17 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1upb h ALA 17 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1upb h ALA 17 CO -0.00 0.22 -0.06 1.25 0.00 0.00 0.00 179.25 180.66 1upb h LEU 18 N 0.33 -0.14 -0.73 0.00 5.85 -0.66 -1.69 115.31 118.27 1upb h LEU 18 Ca 0.08 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1upb h LEU 18 Cb 0.08 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1upb h LEU 18 CO -0.01 0.28 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.13 1upb h LEU 19 N -0.58 0.80 -0.82 2.25 3.38 -1.19 -2.01 115.31 117.13 1upb h LEU 19 Ca -0.02 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1upb h LEU 19 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1upb h LEU 19 CO 0.03 0.97 0.08 -1.28 0.09 0.00 0.00 178.44 178.32 1upb h SER 20 N 0.70 0.92 0.26 -0.43 0.87 -1.15 -0.97 113.55 113.75 1upb h SER 20 Ca 0.11 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.30 1upb h SER 20 Cb 0.68 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1upb h SER 20 CO 0.05 0.93 -0.63 -0.09 -0.53 0.00 0.00 176.83 176.56 1upb h ARG 21 N 0.90 0.36 -0.59 2.24 9.65 -1.10 -0.91 114.38 124.93 1upb h ARG 21 Ca 0.18 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 1upb h ARG 21 Cb 0.42 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1upb h ARG 21 CO 0.01 0.87 0.24 -0.07 2.80 0.00 0.00 179.97 183.82 1upb h LEU 22 N 0.26 0.81 -1.20 3.80 3.38 -1.09 -2.59 115.31 118.69 1upb h LEU 22 Ca -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1upb h LEU 22 Cb 1.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1upb h LEU 22 CO 0.11 0.76 0.17 -0.09 0.09 0.00 0.00 178.44 179.48 1upb h ARG 23 N 0.82 0.73 -0.48 1.13 2.43 -0.94 -1.74 114.38 116.33 1upb h ARG 23 Ca 0.20 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1upb h ARG 23 Cb 0.20 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1upb h ARG 23 CO -0.02 0.62 0.32 -0.44 -1.51 0.00 0.00 179.97 178.94 1upb h ASP 24 N 0.72 0.44 -0.29 -3.80 3.32 -0.79 -1.20 116.42 114.82 1upb h ASP 24 Ca 0.17 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1upb h ASP 24 Cb 0.18 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1upb h ASP 24 CO -0.01 0.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.22 1upb n HIS 25 N -4.48 1.02 -0.86 4.55 8.25 -0.85 -4.76 115.22 118.09 1upb n HIS 25 Ca 0.06 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1upb n HIS 25 Cb 0.17 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1upb n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upb n GLY 26 N 0.33 0.70 3.69 -1.41 0.00 -0.45 -4.71 105.19 103.34 1upb n GLY 26 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1upb n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 27 N -2.63 4.55 -0.11 1.61 1.01 -0.71 -4.91 120.40 119.20 1upb s VAL 27 Ca 0.00 1.84 0.11 0.00 0.00 0.00 0.00 61.98 63.93 1upb s VAL 27 Cb 0.00 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 1upb s VAL 27 CO 0.00 -0.00 0.28 0.61 0.00 0.00 0.00 175.10 175.99 1upb n GLY 28 N 3.22 -0.40 3.07 4.51 0.00 -1.26 -4.01 105.19 110.33 1upb n GLY 28 Ca 0.10 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1upb n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upb s LYS 29 N -2.61 0.83 -0.25 1.61 -0.14 -1.26 -1.24 119.74 116.69 1upb s LYS 29 Ca -0.02 -0.51 0.01 0.00 -1.36 0.00 0.00 55.97 54.08 1upb s LYS 29 Cb 0.07 -0.80 0.04 0.00 -1.68 0.00 0.00 37.83 35.47 1upb s LYS 29 CO 0.45 0.21 -0.10 0.08 -0.76 0.00 0.00 175.35 175.23 1upb s VAL 30 N -0.51 2.38 0.07 3.17 1.01 -0.23 -4.27 120.40 122.01 1upb s VAL 30 Ca 0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 1upb s VAL 30 Cb -0.06 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 1upb s VAL 30 CO 0.00 0.11 0.76 -0.36 0.00 0.00 0.00 175.10 175.61 1upb s PHE 31 N 1.20 3.77 -2.34 5.22 0.40 -0.80 -0.14 117.98 125.29 1upb s PHE 31 Ca -0.04 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.78 1upb s PHE 31 Cb -0.18 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1upb s PHE 31 CO -0.06 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.61 1upb n GLY 32 N 2.20 -1.31 2.95 4.36 0.00 -0.73 -0.20 105.19 112.45 1upb n GLY 32 Ca -0.03 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1upb n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 33 N -3.00 1.01 -0.05 1.61 1.01 -0.95 -1.18 120.40 118.85 1upb s VAL 33 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1upb s VAL 33 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1upb s VAL 33 CO 0.00 0.35 0.34 -0.69 0.00 0.00 0.00 175.10 175.09 1upb s VAL 34 N 1.23 5.18 0.00 2.92 1.01 -1.26 -3.63 120.40 125.86 1upb s VAL 34 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1upb s VAL 34 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1upb s VAL 34 CO -0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1upb n GLY 35 N 2.13 3.11 0.09 4.51 0.00 -1.26 -4.94 105.19 108.83 1upb n GLY 35 Ca -0.15 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.09 1upb n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upb n ARG 36 N 0.00 0.11 0.00 1.61 1.85 -1.26 -1.26 116.66 117.71 1upb n ARG 36 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 1upb n ARG 36 Cb 0.00 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 1upb n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upb n GLU 37 N -1.97 0.00 0.30 2.89 0.00 -1.26 -2.28 120.64 118.32 1upb n GLU 37 Ca 0.02 0.28 0.17 0.00 0.00 0.00 0.00 57.16 57.63 1upb n GLU 37 Cb 0.15 -1.52 0.94 0.00 0.00 0.00 0.00 31.44 31.02 1upb n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upb h ALA 38 N 1.87 1.24 0.00 -1.84 0.00 -1.34 -0.25 119.26 118.94 1upb h ALA 38 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1upb h ALA 38 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1upb h ALA 38 CO 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 1upb h ALA 39 N 1.97 1.76 0.00 0.00 0.00 -1.73 -3.13 119.26 118.12 1upb h ALA 39 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1upb h ALA 39 Cb 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1upb h ALA 39 CO 0.00 0.02 -1.94 0.43 0.00 0.00 0.00 179.25 177.76 1upb n SER 40 N -4.20 0.52 -3.71 0.00 7.64 -0.18 -4.96 113.62 108.72 1upb n SER 40 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 1upb n SER 40 Cb 0.10 1.77 -0.14 0.00 -1.01 0.00 0.00 64.21 64.93 1upb n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upb s ILE 41 N -3.24 -0.15 -0.10 0.44 2.07 -0.76 -4.45 121.20 115.01 1upb s ILE 41 Ca -0.07 0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1upb s ILE 41 Cb 0.12 -0.32 -0.25 0.00 0.13 0.00 0.00 42.46 42.14 1upb s ILE 41 CO 0.81 0.09 0.44 0.18 -1.91 0.00 0.00 174.94 174.55 1upb n LEU 42 N 4.64 1.90 0.00 8.50 4.77 -1.26 -4.17 117.00 131.38 1upb n LEU 42 Ca -0.18 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1upb n LEU 42 Cb 0.51 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1upb n LEU 42 CO 0.11 0.67 0.00 0.49 -1.33 0.00 0.00 177.39 177.33 1upb n PHE 43 N -3.28 0.00 0.02 -1.77 3.72 -1.26 -4.94 117.46 109.95 1upb n PHE 43 Ca -0.27 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.19 1upb n PHE 43 Cb 1.05 -0.18 0.12 0.00 -0.94 0.00 0.00 39.48 39.53 1upb n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upb n ASP 44 N 0.73 2.61 0.24 4.37 5.75 -1.26 -4.55 116.55 124.43 1upb n ASP 44 Ca 0.00 -1.83 0.09 0.00 -0.01 0.00 0.00 54.79 53.04 1upb n ASP 44 Cb 0.00 -0.16 0.59 0.00 -1.03 0.00 0.00 41.12 40.52 1upb n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upb h GLU 45 N 2.06 0.00 -4.16 0.11 3.07 -1.92 -3.43 114.58 110.31 1upb h GLU 45 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1upb h GLU 45 Cb 0.65 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.20 1upb h GLU 45 CO 0.00 0.20 -0.79 0.08 -1.40 0.00 0.00 179.01 177.09 1upb s VAL 46 N -4.19 0.81 0.26 3.13 1.01 -1.26 -5.00 120.40 115.16 1upb s VAL 46 Ca -0.03 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1upb s VAL 46 Cb 0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 1upb s VAL 46 CO 0.64 0.31 1.40 -0.70 0.00 0.00 0.00 175.10 176.75 1upb s GLU 47 N 1.28 4.29 0.00 2.72 2.12 -1.26 -3.18 118.70 124.67 1upb s GLU 47 Ca -0.04 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1upb s GLU 47 Cb -0.14 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1upb s GLU 47 CO -0.03 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1upb n GLY 48 N 1.89 0.73 3.04 -1.50 0.00 -1.26 -5.04 105.19 103.04 1upb n GLY 48 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1upb n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1upb s ILE 49 N -2.90 1.58 0.09 -0.61 2.07 -1.19 -4.44 121.20 115.80 1upb s ILE 49 Ca 0.00 -0.66 0.08 0.00 -1.41 0.00 0.00 60.65 58.66 1upb s ILE 49 Cb 0.00 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.09 1upb s ILE 49 CO 0.00 0.46 -0.18 -1.81 -1.91 0.00 0.00 174.94 171.49 1upb s ASP 50 N 1.27 3.83 0.02 4.50 1.01 -0.37 -4.83 116.67 122.09 1upb s ASP 50 Ca 0.00 -0.52 -0.24 0.00 0.71 0.00 0.00 52.55 52.50 1upb s ASP 50 Cb -0.14 -0.55 -0.05 0.00 1.01 0.00 0.00 42.92 43.19 1upb s ASP 50 CO -0.07 0.20 0.71 0.12 0.21 0.00 0.00 175.17 176.35 1upb s PHE 51 N -1.06 3.71 -0.40 4.23 5.36 -1.26 -1.06 117.98 127.48 1upb s PHE 51 Ca 0.17 1.38 -0.03 0.00 -0.96 0.00 0.00 56.93 57.49 1upb s PHE 51 Cb -0.11 -2.76 0.11 0.00 -0.34 0.00 0.00 43.02 39.92 1upb s PHE 51 CO 0.08 0.28 0.19 0.08 -1.46 0.00 0.00 175.22 174.39 1upb s VAL 52 N -0.01 3.27 0.09 3.12 1.01 0.81 -4.92 120.40 123.76 1upb s VAL 52 Ca 0.36 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 1upb s VAL 52 Cb -0.20 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 1upb s VAL 52 CO 0.21 -0.66 1.15 -0.22 0.00 0.00 0.00 175.10 175.58 1upb s LEU 53 N 1.15 4.40 0.53 3.92 2.96 -1.26 -1.78 118.68 128.60 1upb s LEU 53 Ca 0.08 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 56.03 1upb s LEU 53 Cb -0.23 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.90 1upb s LEU 53 CO -0.04 -0.38 0.26 0.42 -1.32 0.00 0.00 176.35 175.29 1upb s THR 54 N 0.68 1.54 -0.28 3.68 -4.23 -0.32 -4.90 115.64 111.81 1upb s THR 54 Ca 0.55 -1.66 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 1upb s THR 54 Cb -0.29 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 1upb s THR 54 CO 0.31 0.00 1.05 0.54 -0.54 0.00 0.00 174.62 175.98 1upb n ARG 55 N -1.58 0.57 -3.72 3.99 5.12 -1.26 -4.75 116.66 115.02 1upb n ARG 55 Ca -0.07 0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 1upb n ARG 55 Cb 0.65 -1.80 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 1upb n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1upb s HIS 56 N -3.35 -0.30 0.28 -1.55 2.46 -1.26 -5.02 115.29 106.54 1upb s HIS 56 Ca -0.00 0.57 0.19 0.00 0.47 0.00 0.00 55.06 56.29 1upb s HIS 56 Cb 0.10 0.15 0.85 0.00 -0.13 0.00 0.00 32.58 33.56 1upb s HIS 56 CO 0.79 -0.38 1.83 0.93 -2.47 0.00 0.00 174.74 175.44 1upb h GLU 57 N 4.15 0.00 -0.16 2.88 3.07 -1.91 -2.73 114.58 119.88 1upb h GLU 57 Ca -0.29 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1upb h GLU 57 Cb 1.17 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 1upb h GLU 57 CO 0.36 0.32 0.05 0.35 -1.40 0.00 0.00 179.01 178.69 1upb h PHE 58 N 0.00 0.09 -0.99 4.33 3.57 -1.87 -1.67 116.94 120.40 1upb h PHE 58 Ca -0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1upb h PHE 58 Cb 0.72 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1upb h PHE 58 CO 0.00 0.04 0.63 1.15 -2.23 0.00 0.00 178.31 177.91 1upb h THR 59 N 0.12 1.03 -0.21 4.41 2.02 -1.85 -0.73 112.91 117.71 1upb h THR 59 Ca 0.07 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1upb h THR 59 Cb 0.04 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 1upb h THR 59 CO -0.07 0.20 0.06 0.00 0.37 0.00 0.00 175.52 176.08 1upb h ALA 60 N 1.47 0.27 -0.58 6.16 0.00 -1.34 -1.47 119.26 123.78 1upb h ALA 60 Ca 0.45 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1upb h ALA 60 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1upb h ALA 60 CO -0.20 -0.10 0.16 0.78 0.00 0.00 0.00 179.25 179.88 1upb h GLY 61 N 0.16 0.98 1.42 0.00 0.00 -0.70 -2.50 103.07 102.43 1upb h GLY 61 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1upb h GLY 61 CO -0.00 0.56 -0.34 -2.08 0.00 0.00 0.00 176.54 174.69 1upb h VAL 62 N 0.82 1.29 -0.76 4.60 2.07 -1.13 -1.71 116.25 121.43 1upb h VAL 62 Ca 0.18 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1upb h VAL 62 Cb 0.32 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1upb h VAL 62 CO -0.00 0.48 0.49 0.00 0.02 0.00 0.00 177.57 178.55 1upb h ALA 63 N 1.08 0.99 -0.38 1.67 0.00 -1.15 -1.78 119.26 119.68 1upb h ALA 63 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1upb h ALA 63 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1upb h ALA 63 CO 0.07 0.31 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 1upb h ALA 64 N 1.31 0.72 -0.40 0.00 0.00 -1.27 -1.69 119.26 117.94 1upb h ALA 64 Ca 0.30 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 64 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1upb h ALA 64 CO -0.10 0.66 0.20 0.22 0.00 0.00 0.00 179.25 180.23 1upb h ASP 65 N 0.71 0.28 0.18 0.00 1.82 -1.01 -1.15 116.42 117.25 1upb h ASP 65 Ca 0.08 0.02 -0.27 0.00 -0.39 0.00 0.00 57.03 56.46 1upb h ASP 65 Cb 0.87 -0.03 0.02 0.00 0.68 0.00 0.00 39.33 40.87 1upb h ASP 65 CO 0.08 0.21 -1.14 0.58 -1.61 0.00 0.00 179.24 177.36 1upb h VAL 66 N 0.40 1.32 -0.44 2.25 2.07 -1.23 -1.13 116.25 119.49 1upb h VAL 66 Ca 0.17 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1upb h VAL 66 Cb 0.08 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1upb h VAL 66 CO -0.12 0.74 0.17 0.25 0.02 0.00 0.00 177.57 178.64 1upb h LEU 67 N 0.28 0.57 -0.59 2.57 5.85 -1.29 -1.40 115.31 121.30 1upb h LEU 67 Ca -0.15 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 1upb h LEU 67 Cb 1.80 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1upb h LEU 67 CO 0.21 0.52 -0.65 0.00 -0.34 0.00 0.00 178.44 178.19 1upb h ALA 68 N 1.57 0.79 -0.26 1.25 0.00 -0.96 -1.78 119.26 119.87 1upb h ALA 68 Ca 0.15 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1upb h ALA 68 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1upb h ALA 68 CO -0.01 0.76 -0.28 -0.09 0.00 0.00 0.00 179.25 179.62 1upb h ARG 69 N 0.17 0.65 0.10 0.00 2.43 -0.79 -0.89 114.38 116.05 1upb h ARG 69 Ca -0.01 -0.35 -0.29 0.00 -0.81 0.00 0.00 59.98 58.52 1upb h ARG 69 Cb 1.17 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1upb h ARG 69 CO 0.10 0.96 -1.19 0.82 -1.51 0.00 0.00 179.97 179.15 1upb h ILE 70 N 0.37 1.29 0.00 1.20 2.04 -1.29 -3.29 117.51 117.83 1upb h ILE 70 Ca 0.04 -2.42 -0.08 0.00 1.00 0.00 0.00 64.86 63.39 1upb h ILE 70 Cb 0.85 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1upb h ILE 70 CO 0.07 0.74 -0.40 0.71 0.00 0.00 0.00 178.15 179.27 1upb h THR 71 N 0.25 0.75 0.00 -0.27 1.35 -1.43 -3.48 112.91 110.09 1upb h THR 71 Ca -0.18 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1upb h THR 71 Cb 1.86 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.47 1upb h THR 71 CO 0.23 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1upb n GLY 72 N 0.84 0.59 3.61 5.82 0.00 -0.34 -5.03 105.19 110.67 1upb n GLY 72 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1upb n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upb s ARG 73 N -0.36 2.22 0.42 1.61 1.81 -1.22 -4.90 118.95 118.53 1upb s ARG 73 Ca 0.00 -1.09 -0.26 0.00 -1.72 0.00 0.00 55.73 52.66 1upb s ARG 73 Cb 0.00 -2.30 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 1upb s ARG 73 CO 0.00 0.48 1.46 -2.14 -0.68 0.00 0.00 175.30 174.42 1upb s PRO 74 N -2.56 3.84 0.41 3.54 0.02 -1.26 -4.30 135.00 134.68 1upb s PRO 74 Ca 0.24 2.49 0.03 0.00 0.02 0.00 0.00 61.00 63.79 1upb s PRO 74 Cb -0.10 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 1upb s PRO 74 CO 0.16 -0.72 0.12 1.04 -0.33 0.00 0.00 177.00 177.26 1upb n GLN 75 N 0.05 0.63 -3.77 5.54 1.13 -0.97 -4.65 117.38 115.34 1upb n GLN 75 Ca 0.03 -3.34 -0.13 0.00 -1.94 0.00 0.00 57.00 51.63 1upb n GLN 75 Cb 0.41 1.66 -0.11 0.00 0.11 0.00 0.00 30.24 32.31 1upb n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1upb s ALA 76 N -3.03 -0.74 0.16 -1.58 0.00 -1.26 -0.40 121.76 114.91 1upb s ALA 76 Ca 0.17 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1upb s ALA 76 Cb 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1upb s ALA 76 CO 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 175.76 175.74 1upb s TRP 78 N -3.74 -0.29 0.19 0.00 -0.11 0.71 -1.11 118.94 114.58 1upb s TRP 78 Ca 0.23 0.70 -0.09 0.00 1.22 0.00 0.00 56.10 58.16 1upb s TRP 78 Cb 0.06 0.09 -0.01 0.00 -1.50 0.00 0.00 33.47 32.11 1upb s TRP 78 CO 0.03 -0.15 0.31 0.00 -4.62 0.00 0.00 176.95 172.52 1upb s ALA 79 N 0.30 0.06 0.81 5.86 0.00 -0.39 -2.24 121.76 126.17 1upb s ALA 79 Ca -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1upb s ALA 79 Cb -0.03 0.96 0.09 0.00 0.00 0.00 0.00 23.12 24.14 1upb s ALA 79 CO -0.01 -0.68 0.55 -2.37 0.00 0.00 0.00 175.76 173.24 1upb n THR 80 N -0.26 0.00 -1.33 0.00 5.66 -1.24 -1.74 114.28 115.38 1upb n THR 80 Ca -0.05 -0.57 -0.30 0.00 -3.05 0.00 0.00 64.05 60.08 1upb n THR 80 Cb 0.63 -1.51 0.12 0.00 -1.55 0.00 0.00 70.33 68.01 1upb n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upb s LEU 81 N 0.00 2.43 0.00 1.09 2.34 -1.19 -1.80 118.68 121.55 1upb s LEU 81 Ca 0.33 1.45 0.00 0.00 0.06 0.00 0.00 54.13 55.97 1upb s LEU 81 Cb -0.01 -3.96 0.00 0.00 -0.56 0.00 0.00 46.19 41.66 1upb s LEU 81 CO 0.23 -2.36 0.00 0.61 -1.06 0.00 0.00 176.35 173.76 1upb n GLY 82 N -1.46 3.21 0.29 -3.48 0.00 -1.00 -1.98 105.19 100.77 1upb n GLY 82 Ca 0.07 0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.48 1upb n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upb h PRO 83 N 0.00 0.00 0.60 1.61 0.13 -1.87 -2.16 132.00 130.31 1upb h PRO 83 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1upb h PRO 83 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1upb h PRO 83 CO 0.00 0.04 -0.50 0.78 -0.23 0.00 0.00 178.00 178.09 1upb h GLY 84 N 1.10 -1.28 0.43 1.56 0.00 -1.52 -2.06 103.07 101.31 1upb h GLY 84 Ca -0.00 0.57 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1upb h GLY 84 CO 0.01 -0.40 0.22 1.98 0.00 0.00 0.00 176.54 178.35 1upb h MET 85 N -1.07 0.39 -0.52 4.80 1.85 -0.73 -0.90 114.93 118.75 1upb h MET 85 Ca -0.08 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 58.92 1upb h MET 85 Cb 0.90 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.82 1upb h MET 85 CO -0.01 0.26 0.05 1.79 -0.40 0.00 0.00 176.91 178.61 1upb h THR 86 N 0.41 1.24 -0.52 -0.77 1.35 -1.43 -0.33 112.91 112.86 1upb h THR 86 Ca 0.29 -0.95 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 1upb h THR 86 Cb 0.34 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1upb h THR 86 CO -0.29 0.34 0.15 0.78 -0.25 0.00 0.00 175.52 176.26 1upb h ASN 87 N 0.80 0.78 -0.36 5.36 2.35 -1.07 -2.84 115.58 120.58 1upb h ASN 87 Ca 0.16 -0.22 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1upb h ASN 87 Cb 0.40 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1upb h ASN 87 CO 0.01 0.79 0.24 0.25 -1.65 0.00 0.00 177.43 177.07 1upb h LEU 88 N 0.72 0.39 -2.57 1.61 6.46 -0.60 -3.06 115.31 118.27 1upb h LEU 88 Ca 0.17 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1upb h LEU 88 Cb 0.30 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1upb h LEU 88 CO -0.00 0.28 -0.01 0.77 -0.62 0.00 0.00 178.44 178.86 1upb h SER 89 N 0.46 0.00 0.39 1.25 4.64 -0.82 0.19 113.55 119.67 1upb h SER 89 Ca 0.14 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.26 1upb h SER 89 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1upb h SER 89 CO -0.03 0.01 -0.83 0.74 -0.87 0.00 0.00 176.83 175.85 1upb h THR 90 N 0.00 1.42 -0.60 2.95 2.02 -1.65 0.12 112.91 117.16 1upb h THR 90 Ca -0.00 -2.36 -0.10 0.00 0.77 0.00 0.00 66.41 64.72 1upb h THR 90 Cb 0.03 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1upb h THR 90 CO 0.00 0.70 -0.00 1.23 0.37 0.00 0.00 175.52 177.82 1upb h GLY 91 N 1.46 1.14 1.20 2.16 0.00 -0.87 -1.42 103.07 106.74 1upb h GLY 91 Ca -0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1upb h GLY 91 CO 0.14 0.77 0.28 -2.22 0.00 0.00 0.00 176.54 175.50 1upb h ILE 92 N 0.96 1.24 -0.28 2.60 2.04 -0.85 -2.35 117.51 120.87 1upb h ILE 92 Ca 0.17 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1upb h ILE 92 Cb 0.56 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1upb h ILE 92 CO 0.03 0.30 -0.25 0.00 0.00 0.00 0.00 178.15 178.23 1upb h ALA 93 N 1.30 1.04 -0.48 1.87 0.00 -0.54 -1.53 119.26 120.92 1upb h ALA 93 Ca 0.24 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1upb h ALA 93 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1upb h ALA 93 CO -0.02 0.58 0.29 1.15 0.00 0.00 0.00 179.25 181.25 1upb h THR 94 N 0.48 1.05 -0.33 0.00 2.02 -0.88 -2.51 112.91 112.75 1upb h THR 94 Ca 0.07 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1upb h THR 94 Cb 0.70 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1upb h THR 94 CO 0.05 0.11 -0.35 -1.28 0.37 0.00 0.00 175.52 174.42 1upb h SER 95 N 0.58 0.78 -0.10 4.18 0.87 -1.03 0.26 113.55 119.09 1upb h SER 95 Ca 0.19 -0.33 -0.19 0.00 -1.23 0.00 0.00 61.79 60.23 1upb h SER 95 Cb 0.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1upb h SER 95 CO -0.08 1.05 -0.64 1.62 -0.53 0.00 0.00 176.83 178.24 1upb h VAL 96 N 0.62 1.30 0.04 2.23 3.04 -1.19 -0.43 116.25 121.85 1upb h VAL 96 Ca 0.06 -1.88 -0.28 0.00 -1.01 0.00 0.00 66.70 63.60 1upb h VAL 96 Cb 0.88 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.96 1upb h VAL 96 CO 0.08 0.59 -1.50 -0.07 -1.01 0.00 0.00 177.57 175.66 1upb h LEU 97 N 0.52 0.12 0.00 3.16 3.38 -1.45 -3.34 115.31 117.70 1upb h LEU 97 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1upb h LEU 97 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1upb h LEU 97 CO 0.13 1.16 -0.58 0.44 0.09 0.00 0.00 178.44 179.68 1upb h ASP 98 N 0.02 0.00 -3.70 -0.43 3.32 -0.57 -3.36 116.42 111.70 1upb h ASP 98 Ca -0.21 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1upb h ASP 98 Cb 1.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1upb h ASP 98 CO 0.11 0.08 -0.30 0.54 -1.72 0.00 0.00 179.24 177.95 1upb n ARG 99 N -2.26 -1.08 -3.74 3.56 5.12 -0.23 -4.91 116.66 113.12 1upb n ARG 99 Ca 0.03 1.21 -0.13 0.00 -1.93 0.00 0.00 57.85 57.03 1upb n ARG 99 Cb 0.46 -2.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.16 1upb n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upb s SER 100 N -0.70 -0.29 -0.90 0.55 1.04 -0.86 -4.83 113.70 107.72 1upb s SER 100 Ca 0.01 0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.59 1upb s SER 100 Cb -0.00 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1upb s SER 100 CO 0.25 -0.34 1.27 -2.16 0.98 0.00 0.00 173.24 173.25 1upb s PRO 101 N -0.75 3.46 -0.08 4.02 0.04 -1.26 -2.52 135.00 137.91 1upb s PRO 101 Ca -0.08 -1.09 0.03 0.00 0.04 0.00 0.00 61.00 59.89 1upb s PRO 101 Cb -0.04 -4.89 -0.02 0.00 0.04 0.00 0.00 34.50 29.59 1upb s PRO 101 CO 0.03 -2.03 -0.15 0.08 0.04 0.00 0.00 177.00 174.97 1upb s VAL 102 N 4.41 2.94 -0.39 -0.36 1.01 -1.20 -2.30 120.40 124.50 1upb s VAL 102 Ca 0.37 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1upb s VAL 102 Cb -0.05 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1upb s VAL 102 CO -0.03 0.57 0.34 -0.63 0.00 0.00 0.00 175.10 175.35 1upb s ILE 103 N -0.29 5.20 -0.22 2.22 -1.09 0.46 -1.15 121.20 126.33 1upb s ILE 103 Ca 0.02 -0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 1upb s ILE 103 Cb -0.13 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1upb s ILE 103 CO 0.03 -0.27 0.19 0.00 -1.23 0.00 0.00 174.94 173.66 1upb s ALA 104 N 1.88 3.62 -0.07 9.38 0.00 -0.21 -1.45 121.76 134.92 1upb s ALA 104 Ca 0.08 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1upb s ALA 104 Cb -0.18 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1upb s ALA 104 CO 0.11 -0.10 -0.23 -0.51 0.00 0.00 0.00 175.76 175.03 1upb s LEU 105 N 0.87 2.04 -0.01 0.00 1.43 -0.27 -1.28 118.68 121.46 1upb s LEU 105 Ca 0.10 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1upb s LEU 105 Cb -0.13 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1upb s LEU 105 CO 0.03 0.21 0.01 0.00 0.23 0.00 0.00 176.35 176.83 1upb s ALA 106 N 0.00 -0.02 0.86 4.21 0.00 -0.90 -1.26 121.76 124.66 1upb s ALA 106 Ca -0.07 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1upb s ALA 106 Cb -0.14 -0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.04 1upb s ALA 106 CO 0.05 -0.02 1.11 0.00 0.00 0.00 0.00 175.76 176.90 1upb s ALA 107 N 0.13 1.76 0.09 0.00 0.00 -0.71 -0.50 121.76 122.51 1upb s ALA 107 Ca -0.01 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1upb s ALA 107 Cb -0.02 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1upb s ALA 107 CO -0.00 -2.34 0.05 -1.14 0.00 0.00 0.00 175.76 172.33 1upb s GLN 108 N -4.77 0.78 0.59 0.00 2.00 0.34 -3.20 119.66 115.39 1upb s GLN 108 Ca 0.64 -1.23 -0.18 0.00 -2.00 0.00 0.00 55.36 52.59 1upb s GLN 108 Cb -0.20 0.25 -0.06 0.00 0.80 0.00 0.00 33.01 33.80 1upb s GLN 108 CO 0.57 -0.20 0.75 0.43 -0.50 0.00 0.00 175.29 176.34 1upb n SER 109 N 0.00 -0.14 -4.50 6.67 7.64 -1.26 -1.53 113.62 120.51 1upb n SER 109 Ca -0.11 0.76 -0.54 0.00 1.01 0.00 0.00 58.87 59.99 1upb n SER 109 Cb 0.62 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 1upb n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upb n GLU 110 N -0.59 0.27 -0.27 1.43 4.71 -1.26 -4.12 120.64 120.81 1upb n GLU 110 Ca 0.13 0.10 0.06 0.00 -0.01 0.00 0.00 57.16 57.44 1upb n GLU 110 Cb 0.48 -1.49 0.20 0.00 -1.01 0.00 0.00 31.44 29.62 1upb n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upb h SER 111 N 2.70 0.32 0.42 1.62 4.64 -1.89 0.23 113.55 121.58 1upb h SER 111 Ca -0.44 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1upb h SER 111 Cb 1.41 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1upb h SER 111 CO 0.65 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.72 1upb n HIS 112 N -4.99 0.00 -1.28 4.77 1.44 -1.26 -3.42 115.22 110.48 1upb n HIS 112 Ca 0.15 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.94 1upb n HIS 112 Cb 0.43 -0.38 0.14 0.00 0.12 0.00 0.00 29.99 30.30 1upb n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upb n ASP 113 N -1.38 1.99 -4.49 4.39 2.03 0.80 -4.98 116.55 114.91 1upb n ASP 113 Ca 0.06 -3.11 -0.42 0.00 0.52 0.00 0.00 54.79 51.84 1upb n ASP 113 Cb 0.16 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1upb n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upb s ILE 114 N -2.61 4.15 -0.42 5.18 1.01 -1.13 -4.78 121.20 122.61 1upb s ILE 114 Ca 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1upb s ILE 114 Cb 0.27 -4.78 0.13 0.00 0.01 0.00 0.00 42.46 38.09 1upb s ILE 114 CO 0.01 -1.61 0.22 -0.36 0.00 0.00 0.00 174.94 173.20 1upb s PHE 115 N 4.51 1.81 0.20 3.97 0.08 -1.26 -5.05 117.98 122.24 1upb s PHE 115 Ca 0.28 -2.28 -0.33 0.00 0.12 0.00 0.00 56.93 54.73 1upb s PHE 115 Cb -0.12 -1.76 -0.14 0.00 -0.57 0.00 0.00 43.02 40.42 1upb s PHE 115 CO 0.09 -0.80 1.44 -2.30 -0.10 0.00 0.00 175.22 173.55 1upb n PRO 116 N 3.71 1.95 -1.21 0.24 -0.02 -1.26 -1.20 135.00 137.20 1upb n PRO 116 Ca 0.08 0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1upb n PRO 116 Cb 0.35 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1upb n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upb n ASN 117 N 2.56 -4.38 0.06 2.55 3.02 0.17 -4.77 115.26 114.48 1upb n ASN 117 Ca 0.14 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1upb n ASN 117 Cb 0.29 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 1upb n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upb n ASP 118 N 0.01 0.02 -4.77 6.41 8.00 -0.70 -5.05 116.55 120.47 1upb n ASP 118 Ca -0.07 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1upb n ASP 118 Cb 0.32 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1upb n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upb s THR 119 N -2.00 2.27 -0.08 -3.53 2.01 -0.34 -4.90 115.64 109.07 1upb s THR 119 Ca 0.00 0.26 -0.37 0.00 0.31 0.00 0.00 61.69 61.89 1upb s THR 119 Cb 0.00 -3.17 -0.15 0.00 0.01 0.00 0.00 72.50 69.19 1upb s THR 119 CO 0.00 0.06 1.63 1.57 -0.69 0.00 0.00 174.62 177.18 1upb n HIS 120 N 1.09 1.97 -1.13 4.92 -0.00 -1.26 -1.68 115.22 119.12 1upb n HIS 120 Ca 0.03 0.44 -0.05 0.00 0.46 0.00 0.00 57.72 58.60 1upb n HIS 120 Cb 0.40 -2.47 -0.02 0.00 -0.12 0.00 0.00 29.99 27.78 1upb n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upb n GLN 121 N 4.49 -1.11 -3.51 1.57 6.02 -1.26 -4.97 117.38 118.60 1upb n GLN 121 Ca 0.22 0.54 -0.40 0.00 -0.01 0.00 0.00 57.00 57.35 1upb n GLN 121 Cb 0.20 -4.50 -0.10 0.00 1.02 0.00 0.00 30.24 26.85 1upb n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upb s LEU 123 N 1.78 2.80 -1.31 0.00 1.43 -1.26 -0.65 118.68 121.45 1upb s LEU 123 Ca 0.07 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 1upb s LEU 123 Cb -0.17 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1upb s LEU 123 CO 0.11 0.01 1.84 -0.67 0.23 0.00 0.00 176.35 177.87 1upb n ASP 124 N -0.72 4.59 -0.20 2.29 -0.08 -1.26 -4.81 116.55 116.36 1upb n ASP 124 Ca -0.05 -2.89 -0.02 0.00 -1.51 0.00 0.00 54.79 50.31 1upb n ASP 124 Cb 0.60 -1.72 0.08 0.00 2.34 0.00 0.00 41.12 42.42 1upb n ASP 124 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1upb h SER 125 N 7.43 0.42 -0.75 1.67 0.02 -1.99 -1.50 113.55 118.86 1upb h SER 125 Ca 0.46 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.42 1upb h SER 125 Cb 0.83 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1upb h SER 125 CO 1.53 0.28 0.37 0.58 -1.14 0.00 0.00 176.83 178.45 1upb h VAL 126 N 0.56 1.24 -0.14 2.27 2.07 -1.93 -1.31 116.25 119.01 1upb h VAL 126 Ca 0.27 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1upb h VAL 126 Cb 0.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1upb h VAL 126 CO -0.19 0.28 -0.49 0.00 0.02 0.00 0.00 177.57 177.19 1upb h ALA 127 N 1.19 0.89 -0.23 1.67 0.00 -1.80 -0.94 119.26 120.03 1upb h ALA 127 Ca 0.26 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1upb h ALA 127 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1upb h ALA 127 CO -0.03 0.66 -0.36 0.82 0.00 0.00 0.00 179.25 180.34 1upb h ILE 128 N 0.30 1.32 0.00 0.00 2.04 -0.95 -3.35 117.51 116.87 1upb h ILE 128 Ca 0.01 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1upb h ILE 128 Cb 0.98 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1upb h ILE 128 CO 0.08 0.49 -0.93 0.58 0.00 0.00 0.00 178.15 178.38 1upb h VAL 129 N 0.35 0.00 -1.00 1.67 2.07 -1.18 -3.38 116.25 114.78 1upb h VAL 129 Ca 0.02 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1upb h VAL 129 Cb 0.95 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1upb h VAL 129 CO 0.08 0.00 0.66 0.00 0.02 0.00 0.00 177.57 178.33 1upb h ALA 130 N 2.11 1.29 0.00 1.67 0.00 -1.30 -2.13 119.26 120.89 1upb h ALA 130 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1upb h ALA 130 Cb 0.95 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1upb h ALA 130 CO 0.00 0.66 0.00 -2.30 0.00 0.00 0.00 179.25 177.61 1upb n PRO 131 N -4.38 0.17 -0.65 0.00 -0.02 -1.26 -3.09 135.00 125.77 1upb n PRO 131 Ca 0.12 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1upb n PRO 131 Cb 0.01 -1.85 0.19 0.00 -0.02 0.00 0.00 33.50 31.83 1upb n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upb n MET 132 N -2.18 1.46 -3.98 -0.52 0.00 -0.82 -5.05 117.12 106.02 1upb n MET 132 Ca 0.02 -3.18 -0.10 0.00 0.00 0.00 0.00 57.70 54.44 1upb n MET 132 Cb 0.20 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 31.86 1upb n MET 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1upb s SER 133 N -3.13 0.04 0.38 3.17 1.04 -1.11 -4.62 113.70 109.47 1upb s SER 133 Ca 0.37 -0.91 0.22 0.00 0.48 0.00 0.00 55.95 56.11 1upb s SER 133 Cb 0.37 0.44 0.25 0.00 0.10 0.00 0.00 66.02 67.18 1upb s SER 133 CO -0.07 -0.91 1.50 0.11 0.98 0.00 0.00 173.24 174.85 1upb h LYS 134 N 2.53 0.00 -1.51 4.02 1.79 -0.85 -3.47 116.57 119.08 1upb h LYS 134 Ca -0.32 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.25 1upb h LYS 134 Cb 1.23 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.61 1upb h LYS 134 CO 0.48 0.08 0.48 -0.47 -1.08 0.00 0.00 179.45 178.94 1upb s TYR 135 N -3.18 -0.46 -0.18 -1.35 5.04 -1.25 -4.91 117.35 111.06 1upb s TYR 135 Ca 0.05 1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 55.64 1upb s TYR 135 Cb 0.06 0.36 0.08 0.00 0.35 0.00 0.00 41.96 42.81 1upb s TYR 135 CO 0.70 -0.22 0.38 0.00 -1.34 0.00 0.00 175.55 175.07 1upb s ALA 136 N 0.63 -1.00 0.01 3.97 0.00 -1.26 -0.19 121.76 123.92 1upb s ALA 136 Ca -0.01 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 1upb s ALA 136 Cb -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1upb s ALA 136 CO -0.10 -0.61 0.23 0.54 0.00 0.00 0.00 175.76 175.81 1upb s VAL 137 N 2.27 0.08 -0.14 0.00 0.11 -0.82 -4.99 120.40 116.91 1upb s VAL 137 Ca -0.03 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1upb s VAL 137 Cb -0.11 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1upb s VAL 137 CO -0.12 -0.36 0.00 -0.70 -3.33 0.00 0.00 175.10 170.60 1upb s GLU 138 N -1.67 3.51 0.26 1.54 2.12 -1.26 -0.97 118.70 122.23 1upb s GLU 138 Ca -0.12 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1upb s GLU 138 Cb -0.05 -2.95 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 1upb s GLU 138 CO 0.01 0.41 1.48 -1.17 -0.54 0.00 0.00 175.26 175.45 1upb s LEU 139 N -0.07 4.38 0.00 2.70 2.96 0.01 -4.93 118.68 123.72 1upb s LEU 139 Ca 0.04 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 1upb s LEU 139 Cb -0.13 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1upb s LEU 139 CO 0.02 -0.76 0.00 0.00 -1.32 0.00 0.00 176.35 174.29 1upb n GLN 140 N 2.36 1.64 -3.92 1.98 6.02 -1.26 -4.63 117.38 119.57 1upb n GLN 140 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1upb n GLN 140 Cb 0.39 -0.93 -0.17 0.00 1.02 0.00 0.00 30.24 30.56 1upb n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upb s ARG 141 N -1.85 1.65 0.26 -1.09 0.52 -1.26 -5.06 118.95 112.12 1upb s ARG 141 Ca 0.00 -0.49 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1upb s ARG 141 Cb 0.00 -1.96 0.50 0.00 0.52 0.00 0.00 34.95 34.01 1upb s ARG 141 CO 0.00 -0.36 1.60 -1.35 0.02 0.00 0.00 175.30 175.21 1upb h PRO 142 N 8.11 0.05 0.00 3.54 0.11 -1.85 -1.59 132.00 140.37 1upb h PRO 142 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1upb h PRO 142 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1upb h PRO 142 CO 0.43 0.03 0.00 1.12 -0.21 0.00 0.00 178.00 179.37 1upb h HIS 143 N 0.05 0.00 0.00 0.65 2.07 -1.85 -2.55 115.15 113.53 1upb h HIS 143 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1upb h HIS 143 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1upb h HIS 143 CO -0.51 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.74 1upb n GLU 144 N -2.94 0.24 -0.10 5.12 1.02 -0.60 -3.42 120.64 119.96 1upb n GLU 144 Ca -0.01 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1upb n GLU 144 Cb 0.20 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.59 1upb n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upb h ILE 145 N 0.00 0.91 0.17 -3.67 6.09 -1.62 -0.61 117.51 118.78 1upb h ILE 145 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1upb h ILE 145 Cb 0.23 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 1upb h ILE 145 CO 0.00 0.09 -0.15 0.74 -3.07 0.00 0.00 178.15 175.75 1upb h THR 146 N 0.47 0.66 0.00 2.19 2.02 -1.83 -1.02 112.91 115.40 1upb h THR 146 Ca 0.29 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.38 1upb h THR 146 Cb 0.50 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1upb h THR 146 CO -0.08 0.00 -0.39 -2.24 0.37 0.00 0.00 175.52 173.18 1upb h ASP 147 N -0.34 0.00 -0.28 4.18 3.04 -1.63 -2.41 116.42 118.98 1upb h ASP 147 Ca -0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 1upb h ASP 147 Cb 0.32 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.60 1upb h ASP 147 CO -0.03 0.39 -0.16 -0.07 -2.04 0.00 0.00 179.24 177.33 1upb h LEU 148 N 0.00 0.63 -0.55 0.15 3.38 -0.89 -1.68 115.31 116.35 1upb h LEU 148 Ca -0.00 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1upb h LEU 148 Cb 0.86 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1upb h LEU 148 CO 0.05 0.92 0.29 0.58 0.09 0.00 0.00 178.44 180.37 1upb h VAL 149 N 0.35 0.97 -0.45 1.22 2.07 -1.10 -0.43 116.25 118.88 1upb h VAL 149 Ca 0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1upb h VAL 149 Cb 0.69 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1upb h VAL 149 CO 0.05 0.10 0.25 0.44 0.02 0.00 0.00 177.57 178.43 1upb h ASP 150 N 0.56 0.55 0.03 0.57 3.32 -1.31 -0.03 116.42 120.11 1upb h ASP 150 Ca 0.24 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1upb h ASP 150 Cb 0.13 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1upb h ASP 150 CO -0.16 0.48 -0.21 0.28 -1.72 0.00 0.00 179.24 177.91 1upb h SER 151 N 0.58 0.32 -0.41 6.45 0.02 -1.15 -0.13 113.55 119.24 1upb h SER 151 Ca 0.16 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1upb h SER 151 Cb 0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1upb h SER 151 CO -0.03 0.55 -0.01 0.00 -1.14 0.00 0.00 176.83 176.20 1upb h ALA 152 N 1.48 0.55 -0.45 3.77 0.00 -0.58 -2.11 119.26 121.92 1upb h ALA 152 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1upb h ALA 152 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1upb h ALA 152 CO 0.04 0.35 0.11 0.28 0.00 0.00 0.00 179.25 180.02 1upb h VAL 153 N 0.56 1.23 -0.38 0.00 2.07 -0.70 -0.76 116.25 118.26 1upb h VAL 153 Ca 0.11 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1upb h VAL 153 Cb 0.50 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1upb h VAL 153 CO 0.02 0.29 -0.01 0.78 0.02 0.00 0.00 177.57 178.68 1upb h ASN 154 N 0.60 -0.17 0.17 0.57 2.35 -0.87 -0.02 115.58 118.21 1upb h ASN 154 Ca 0.14 0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 1upb h ASN 154 Cb 0.32 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1upb h ASN 154 CO 0.00 -0.05 -0.71 0.00 -1.65 0.00 0.00 177.43 175.03 1upb h ALA 155 N 1.34 0.58 -0.74 -0.83 0.00 -1.33 -3.04 119.26 115.24 1upb h ALA 155 Ca 0.19 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1upb h ALA 155 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1upb h ALA 155 CO -0.32 0.74 0.30 0.00 0.00 0.00 0.00 179.25 179.97 1upb h ALA 156 N 0.90 1.13 -0.35 0.00 0.00 -0.73 -3.05 119.26 117.15 1upb h ALA 156 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1upb h ALA 156 Cb 1.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1upb h ALA 156 CO 0.13 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.67 1upb n MET 157 N -4.29 2.47 -4.35 0.00 2.00 -0.06 -1.89 117.12 111.00 1upb n MET 157 Ca 0.07 -1.54 -0.34 0.00 0.00 0.00 0.00 57.70 55.88 1upb n MET 157 Cb 0.18 -1.59 -0.11 0.00 0.00 0.00 0.00 33.22 31.70 1upb n MET 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1upb s THR 158 N -1.69 4.11 0.31 2.03 2.01 -1.15 -0.87 115.64 120.39 1upb s THR 158 Ca 0.28 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1upb s THR 158 Cb 0.18 -2.78 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 1upb s THR 158 CO 0.13 0.52 1.27 -1.61 -0.69 0.00 0.00 174.62 174.24 1upb s GLU 159 N 0.01 4.41 0.02 4.92 0.41 0.53 -2.80 118.70 126.19 1upb s GLU 159 Ca 0.02 2.13 -0.30 0.00 -0.41 0.00 0.00 54.97 56.40 1upb s GLU 159 Cb -0.13 -3.10 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 1upb s GLU 159 CO 0.02 -0.11 1.23 -1.25 -0.49 0.00 0.00 175.26 174.66 1upb s PRO 160 N -1.63 4.38 0.69 0.39 0.05 -1.26 -4.85 135.00 132.78 1upb s PRO 160 Ca 0.48 1.77 -0.16 0.00 0.05 0.00 0.00 61.00 63.14 1upb s PRO 160 Cb -0.38 -3.44 0.02 0.00 0.05 0.00 0.00 34.50 30.74 1upb s PRO 160 CO 0.50 -0.36 1.23 0.14 0.05 0.00 0.00 177.00 178.55 1upb s VAL 161 N 1.60 2.29 0.03 -0.36 -7.23 -1.12 -4.97 120.40 110.63 1upb s VAL 161 Ca 0.59 0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 60.64 1upb s VAL 161 Cb -0.28 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 33.89 1upb s VAL 161 CO 0.27 -0.06 1.23 -0.83 -0.31 0.00 0.00 175.10 175.39 1upb s GLY 162 N -1.81 -0.11 0.28 2.32 0.00 -0.79 -3.33 107.32 103.88 1upb s GLY 162 Ca 0.77 0.04 -0.21 0.00 0.00 0.00 0.00 44.72 45.32 1upb s GLY 162 CO 0.42 4.09 0.81 2.56 0.00 0.00 0.00 173.10 180.98 1upb s PRO 163 N -2.13 4.33 -0.02 2.90 0.04 -1.21 -3.24 135.00 135.67 1upb s PRO 163 Ca 0.25 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1upb s PRO 163 Cb -0.00 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1upb s PRO 163 CO 0.00 0.31 -0.25 -1.12 0.04 0.00 0.00 177.00 175.98 1upb s SER 164 N -1.73 2.96 -0.06 6.66 0.01 -0.30 -0.16 113.70 121.07 1upb s SER 164 Ca 0.48 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1upb s SER 164 Cb -0.16 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.69 1upb s SER 164 CO 0.21 0.30 -0.20 0.12 0.41 0.00 0.00 173.24 174.08 1upb s PHE 165 N -0.56 2.56 -0.10 2.43 5.36 0.74 -1.04 117.98 127.38 1upb s PHE 165 Ca 0.09 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 1upb s PHE 165 Cb -0.10 -1.63 0.02 0.00 -0.34 0.00 0.00 43.02 40.97 1upb s PHE 165 CO -0.01 -0.07 -0.08 0.42 -1.46 0.00 0.00 175.22 174.03 1upb s ILE 166 N -0.32 0.98 -0.00 3.12 1.01 -0.40 -1.95 121.20 123.64 1upb s ILE 166 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1upb s ILE 166 Cb -0.13 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 1upb s ILE 166 CO 0.02 0.35 0.49 -0.55 0.00 0.00 0.00 174.94 175.25 1upb s SER 167 N 1.49 6.87 -0.39 3.58 0.15 -0.14 -2.11 113.70 123.15 1upb s SER 167 Ca 0.01 1.04 0.01 0.00 0.70 0.00 0.00 55.95 57.70 1upb s SER 167 Cb -0.13 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 62.00 1upb s SER 167 CO -0.05 0.22 0.19 -0.76 1.20 0.00 0.00 173.24 174.03 1upb s LEU 168 N -0.62 2.37 0.19 3.45 1.43 0.34 -0.81 118.68 125.03 1upb s LEU 168 Ca 0.26 -2.28 -0.33 0.00 -1.03 0.00 0.00 54.13 50.76 1upb s LEU 168 Cb -0.17 -0.91 -0.14 0.00 0.03 0.00 0.00 46.19 45.00 1upb s LEU 168 CO 0.15 -0.32 1.50 -2.65 0.23 0.00 0.00 176.35 175.26 1upb n PRO 169 N 3.99 2.06 -0.06 1.29 -0.02 -1.26 -0.50 135.00 140.50 1upb n PRO 169 Ca 0.06 0.74 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 1upb n PRO 169 Cb 0.37 -2.46 0.40 0.00 -0.02 0.00 0.00 33.50 31.79 1upb n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upb h VAL 170 N 3.37 1.09 -0.52 -1.45 2.07 -1.43 -1.29 116.25 118.08 1upb h VAL 170 Ca -0.45 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1upb h VAL 170 Cb 1.27 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1upb h VAL 170 CO 0.83 0.11 -0.14 -2.24 0.02 0.00 0.00 177.57 176.15 1upb h ASP 171 N 0.63 1.03 0.34 0.57 2.03 -1.88 -2.75 116.42 116.38 1upb h ASP 171 Ca 0.20 -0.35 -0.22 0.00 -0.73 0.00 0.00 57.03 55.92 1upb h ASP 171 Cb 0.02 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.25 1upb h ASP 171 CO -0.05 1.15 -0.92 -0.07 -1.03 0.00 0.00 179.24 178.32 1upb h LEU 172 N 0.89 0.52 -1.48 0.15 3.38 -1.76 -2.71 115.31 114.30 1upb h LEU 172 Ca 0.13 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1upb h LEU 172 Cb 0.71 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1upb h LEU 172 CO 0.05 1.20 0.35 0.25 0.09 0.00 0.00 178.44 180.39 1upb h LEU 173 N 0.23 0.60 -1.76 1.67 5.85 -1.27 -2.66 115.31 117.98 1upb h LEU 173 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1upb h LEU 173 Cb 1.55 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1upb h LEU 173 CO 0.16 0.43 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 1upb n GLY 174 N -1.46 1.17 3.88 3.75 0.00 -1.04 -1.57 105.19 109.93 1upb n GLY 174 Ca 0.05 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1upb n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upb s SER 175 N -1.21 6.54 0.00 1.61 0.15 -1.00 -4.84 113.70 114.94 1upb s SER 175 Ca 0.34 0.63 0.21 0.00 0.70 0.00 0.00 55.95 57.83 1upb s SER 175 Cb 0.18 -2.12 0.23 0.00 -1.71 0.00 0.00 66.02 62.60 1upb s SER 175 CO 0.25 0.19 1.20 -1.54 1.20 0.00 0.00 173.24 174.55 1upb n SER 176 N 0.87 2.87 -4.64 5.45 3.41 -1.26 -1.22 113.62 119.11 1upb n SER 176 Ca -0.09 -1.88 -0.46 0.00 -0.26 0.00 0.00 58.87 56.18 1upb n SER 176 Cb 0.52 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1upb n SER 176 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1upb n GLU 177 N 1.20 2.20 -0.82 4.33 2.13 -1.26 -1.49 120.64 126.92 1upb n GLU 177 Ca 0.13 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1upb n GLU 177 Cb 0.53 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.40 1upb n GLU 177 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1upb n GLY 178 N 4.93 0.81 3.67 8.31 0.00 -1.26 -3.99 105.19 117.66 1upb n GLY 178 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1upb n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upb s ILE 179 N -3.13 5.33 0.33 -0.61 1.01 -0.56 -4.72 121.20 118.86 1upb s ILE 179 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1upb s ILE 179 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1upb s ILE 179 CO 0.00 0.33 0.14 -1.81 0.00 0.00 0.00 174.94 173.61 1upb s ASP 180 N 0.98 1.91 -0.33 3.58 1.01 -1.26 -5.03 116.67 117.53 1upb s ASP 180 Ca 0.10 -1.57 -0.14 0.00 0.71 0.00 0.00 52.55 51.66 1upb s ASP 180 Cb -0.14 0.36 -0.02 0.00 1.01 0.00 0.00 42.92 44.14 1upb s ASP 180 CO 0.05 -0.87 0.32 -0.89 0.21 0.00 0.00 175.17 173.98 1upb s THR 181 N -3.48 5.21 0.00 -1.27 2.01 -1.26 -5.06 115.64 111.79 1upb s THR 181 Ca 0.33 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1upb s THR 181 Cb 0.05 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1upb s THR 181 CO 0.17 -0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.28 1upb n PRO 184 N 5.28 0.00 -1.99 4.92 -0.04 -1.26 -5.25 135.00 136.66 1upb n PRO 184 Ca -0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.99 1upb n PRO 184 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1upb n PRO 184 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1upb s ASN 185 N 0.00 5.18 1.06 3.54 0.01 -1.26 -5.01 114.94 118.46 1upb s ASN 185 Ca 0.00 2.42 -0.12 0.00 -0.71 0.00 0.00 52.86 54.45 1upb s ASN 185 Cb 0.00 -2.60 0.22 0.00 0.41 0.00 0.00 41.25 39.28 1upb s ASN 185 CO 0.00 -1.60 1.07 -2.84 -1.51 0.00 0.00 177.10 172.22 1upb s PRO 186 N -3.29 -0.08 0.48 -0.60 0.02 -1.26 -4.95 135.00 125.31 1upb s PRO 186 Ca 0.77 0.92 -0.24 0.00 0.02 0.00 0.00 61.00 62.47 1upb s PRO 186 Cb -0.31 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1upb s PRO 186 CO 0.34 -3.18 1.37 -2.14 -0.33 0.00 0.00 177.00 173.06 1upb s PRO 187 N -4.63 3.55 0.14 5.54 0.02 -1.26 -4.93 135.00 133.43 1upb s PRO 187 Ca 0.67 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.84 1upb s PRO 187 Cb -0.23 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1upb s PRO 187 CO 0.61 -0.87 1.57 0.00 -0.33 0.00 0.00 177.00 177.98 1upb h ALA 188 N 2.08 0.62 -6.00 -1.55 0.00 -1.92 -3.47 119.26 109.01 1upb h ALA 188 Ca -0.51 -0.30 -0.45 0.00 0.00 0.00 0.00 54.91 53.65 1upb h ALA 188 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1upb h ALA 188 CO 0.60 0.46 -0.71 0.09 0.00 0.00 0.00 179.25 179.68 1upb n ASN 189 N -4.33 -4.92 -4.70 0.00 3.02 -1.26 -4.94 115.26 98.14 1upb n ASN 189 Ca 0.00 -0.67 -0.44 0.00 -0.03 0.00 0.00 54.58 53.45 1upb n ASN 189 Cb 0.34 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 1upb n ASN 189 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1upb n THR 190 N -4.60 0.07 -1.69 3.41 -1.04 -1.26 -4.92 114.28 104.24 1upb n THR 190 Ca 0.02 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1upb n THR 190 Cb 0.54 -1.81 -0.01 0.00 -1.82 0.00 0.00 70.33 67.23 1upb n THR 190 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upb n PRO 191 N 3.63 2.15 -0.24 -2.82 -0.02 -1.26 -4.90 135.00 131.54 1upb n PRO 191 Ca 0.16 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1upb n PRO 191 Cb 0.33 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1upb n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upb h ALA 192 N 3.19 0.86 -2.83 3.55 0.00 -1.98 -3.44 119.26 118.60 1upb h ALA 192 Ca -0.46 -0.11 -0.40 0.00 0.00 0.00 0.00 54.91 53.94 1upb h ALA 192 Cb 1.28 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1upb h ALA 192 CO 0.68 0.38 -0.49 -1.59 0.00 0.00 0.00 179.25 178.23 1upb s LYS 193 N -5.82 1.64 0.29 0.00 -2.85 -1.26 -5.03 119.74 106.71 1upb s LYS 193 Ca -0.13 -1.90 -0.30 0.00 -1.00 0.00 0.00 55.97 52.64 1upb s LYS 193 Cb 0.14 0.32 -0.11 0.00 -2.06 0.00 0.00 37.83 36.12 1upb s LYS 193 CO 0.79 -0.60 1.61 -2.14 0.10 0.00 0.00 175.35 175.11 1upb s PRO 194 N -3.58 4.11 0.30 1.78 0.02 -1.26 -4.96 135.00 131.41 1upb s PRO 194 Ca 0.39 2.60 -0.29 0.00 0.02 0.00 0.00 61.00 63.72 1upb s PRO 194 Cb 0.03 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 1upb s PRO 194 CO 0.23 -0.66 1.40 0.08 -0.33 0.00 0.00 177.00 177.72 1upb s VAL 195 N 0.07 2.57 0.41 3.83 1.01 -0.05 -4.86 120.40 123.39 1upb s VAL 195 Ca 0.64 0.53 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1upb s VAL 195 Cb -0.48 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1upb s VAL 195 CO 0.47 0.11 0.06 -0.83 0.00 0.00 0.00 175.10 174.91 1upb s GLY 196 N -0.04 2.53 0.15 4.51 0.00 -1.26 -0.35 107.32 112.85 1upb s GLY 196 Ca 0.54 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1upb s GLY 196 CO 0.50 -1.95 0.33 -1.34 0.00 0.00 0.00 173.10 170.64 1upb s VAL 197 N -3.09 5.26 -0.11 1.40 -7.23 -0.28 -4.98 120.40 111.37 1upb s VAL 197 Ca 0.25 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1upb s VAL 197 Cb 0.05 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1upb s VAL 197 CO 0.13 -0.06 0.06 -0.69 -0.31 0.00 0.00 175.10 174.23 1upb s VAL 198 N -1.74 0.03 0.22 1.32 1.01 -1.26 -3.40 120.40 116.59 1upb s VAL 198 Ca 0.37 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1upb s VAL 198 Cb -0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 1upb s VAL 198 CO 0.28 -0.04 1.11 0.00 0.00 0.00 0.00 175.10 176.45 1upb s ALA 199 N 2.10 3.40 0.25 5.51 0.00 -0.39 -4.99 121.76 127.64 1upb s ALA 199 Ca 0.03 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1upb s ALA 199 Cb -0.14 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1upb s ALA 199 CO -0.06 -0.20 1.28 -3.47 0.00 0.00 0.00 175.76 173.30 1upb n ASP 200 N 1.86 2.26 0.00 0.00 2.03 -1.26 -2.54 116.55 118.90 1upb n ASP 200 Ca 0.01 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1upb n ASP 200 Cb 0.45 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1upb n ASP 200 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upb n GLY 201 N 1.72 0.46 0.18 0.27 0.00 -1.26 -4.93 105.19 101.63 1upb n GLY 201 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1upb n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upb h TRP 202 N 0.00 0.04 -0.32 1.61 5.08 -1.82 -2.06 115.95 118.49 1upb h TRP 202 Ca 0.00 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.95 1upb h TRP 202 Cb 0.00 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.13 1upb h TRP 202 CO 0.00 0.43 0.16 1.96 -1.28 0.00 0.00 178.44 179.71 1upb h GLN 203 N 0.03 0.46 -0.40 0.12 7.50 -1.91 0.26 115.11 121.17 1upb h GLN 203 Ca 0.00 -0.07 0.02 0.00 0.50 0.00 0.00 58.65 59.10 1upb h GLN 203 Cb 0.72 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.14 1upb h GLN 203 CO 0.05 0.42 0.23 -0.22 -1.50 0.00 0.00 178.83 177.81 1upb h LYS 204 N 0.38 0.45 -0.90 1.46 3.64 -1.90 -0.82 116.57 118.88 1upb h LYS 204 Ca 0.11 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1upb h LYS 204 Cb 0.11 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1upb h LYS 204 CO -0.01 0.30 0.59 0.00 -2.27 0.00 0.00 179.45 178.05 1upb h ALA 205 N 1.18 1.19 -0.74 5.00 0.00 -0.94 -1.33 119.26 123.63 1upb h ALA 205 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1upb h ALA 205 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1upb h ALA 205 CO -0.07 0.45 0.38 0.00 0.00 0.00 0.00 179.25 180.00 1upb h ALA 206 N 1.37 1.28 -0.32 0.00 0.00 -0.14 -1.60 119.26 119.86 1upb h ALA 206 Ca 0.36 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1upb h ALA 206 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1upb h ALA 206 CO -0.12 0.57 -0.16 -0.44 0.00 0.00 0.00 179.25 179.10 1upb h ASP 207 N 1.04 0.56 -0.19 0.00 3.32 -0.34 -1.09 116.42 119.71 1upb h ASP 207 Ca 0.26 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1upb h ASP 207 Cb 0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1upb h ASP 207 CO -0.04 0.74 -0.18 1.56 -1.72 0.00 0.00 179.24 179.60 1upb h GLN 208 N 0.51 0.62 -0.65 3.56 4.20 -0.93 -1.31 115.11 121.11 1upb h GLN 208 Ca 0.09 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1upb h GLN 208 Cb 0.58 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1upb h GLN 208 CO 0.04 0.77 0.21 0.00 -0.67 0.00 0.00 178.83 179.18 1upb h ALA 209 N 1.25 0.85 -0.50 3.87 0.00 -0.77 -1.93 119.26 122.03 1upb h ALA 209 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1upb h ALA 209 Cb 0.63 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1upb h ALA 209 CO 0.04 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.98 1upb h ALA 210 N 1.09 1.37 -0.04 0.00 0.00 -0.94 -1.17 119.26 119.57 1upb h ALA 210 Ca 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 210 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1upb h ALA 210 CO -0.01 0.47 -0.66 0.00 0.00 0.00 0.00 179.25 179.05 1upb h ALA 211 N 1.47 0.82 -0.47 0.00 0.00 -0.93 -1.55 119.26 118.61 1upb h ALA 211 Ca 0.17 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1upb h ALA 211 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1upb h ALA 211 CO -0.01 0.78 -0.16 -0.07 0.00 0.00 0.00 179.25 179.78 1upb h LEU 212 N 0.12 0.95 -1.18 0.00 3.38 -0.89 -3.06 115.31 114.63 1upb h LEU 212 Ca -0.01 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1upb h LEU 212 Cb 1.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1upb h LEU 212 CO 0.10 1.12 0.22 0.25 0.09 0.00 0.00 178.44 180.22 1upb h LEU 213 N 0.78 0.72 -0.95 1.67 5.85 -0.97 -1.95 115.31 120.46 1upb h LEU 213 Ca 0.11 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1upb h LEU 213 Cb 0.73 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1upb h LEU 213 CO 0.06 0.65 0.61 0.00 -0.34 0.00 0.00 178.44 179.42 1upb h ALA 214 N 1.46 1.20 0.00 1.25 0.00 -1.19 -2.59 119.26 119.39 1upb h ALA 214 Ca 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 214 Cb 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1upb h ALA 214 CO -0.02 0.61 -0.56 0.93 0.00 0.00 0.00 179.25 180.21 1upb h GLU 215 N 1.29 0.00 -6.85 0.00 4.39 -1.40 -3.48 114.58 108.53 1upb h GLU 215 Ca 0.34 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.53 1upb h GLU 215 Cb -0.13 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1upb h GLU 215 CO -0.07 0.49 0.53 0.00 -1.16 0.00 0.00 179.01 178.80 1upb s ALA 216 N -2.96 3.40 -0.08 3.43 0.00 -0.76 -4.97 121.76 119.82 1upb s ALA 216 Ca 0.04 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1upb s ALA 216 Cb 0.08 -3.38 -0.29 0.00 0.00 0.00 0.00 23.12 19.52 1upb s ALA 216 CO 0.75 -0.37 0.76 -0.22 0.00 0.00 0.00 175.76 176.68 1upb h LYS 217 N 3.51 0.22 -2.39 0.00 3.64 -1.92 -3.44 116.57 116.19 1upb h LYS 217 Ca -0.48 -0.38 -0.59 0.00 -1.27 0.00 0.00 60.65 57.93 1upb h LYS 217 Cb 1.22 0.14 -0.39 0.00 -0.41 0.00 0.00 32.23 32.79 1upb h LYS 217 CO 0.66 1.18 -0.94 0.72 -2.27 0.00 0.00 179.45 178.81 1upb n HIS 218 N -4.17 -0.15 -2.19 1.91 8.25 -1.26 -4.36 115.22 113.25 1upb n HIS 218 Ca -0.17 -3.50 -0.29 0.00 -0.26 0.00 0.00 57.72 53.49 1upb n HIS 218 Cb 0.78 0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.92 1upb n HIS 218 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1upb s PRO 219 N -0.43 3.48 0.04 -0.41 0.04 -1.26 -2.31 135.00 134.15 1upb s PRO 219 Ca 0.33 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1upb s PRO 219 Cb 0.05 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1upb s PRO 219 CO -0.17 -0.48 -0.06 0.14 0.04 0.00 0.00 177.00 176.47 1upb s VAL 220 N -3.02 0.38 -0.27 -0.36 -7.23 -0.49 -4.22 120.40 105.19 1upb s VAL 220 Ca 0.52 -1.14 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1upb s VAL 220 Cb -0.11 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 1upb s VAL 220 CO 0.50 -0.50 0.16 -0.76 -0.31 0.00 0.00 175.10 174.19 1upb s LEU 221 N -1.75 3.91 -0.39 1.32 1.43 -0.37 -1.80 118.68 121.04 1upb s LEU 221 Ca -0.09 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1upb s LEU 221 Cb -0.08 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1upb s LEU 221 CO -0.01 -0.04 0.28 -0.69 0.23 0.00 0.00 176.35 176.12 1upb s VAL 222 N 1.69 5.25 -0.19 -1.59 1.01 -0.00 -0.62 120.40 125.94 1upb s VAL 222 Ca 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1upb s VAL 222 Cb -0.16 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1upb s VAL 222 CO 0.09 -0.22 -0.00 -0.69 0.00 0.00 0.00 175.10 174.28 1upb s VAL 223 N 1.69 4.02 0.57 2.92 1.01 -0.03 0.05 120.40 130.63 1upb s VAL 223 Ca 0.05 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1upb s VAL 223 Cb -0.19 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.45 1upb s VAL 223 CO 0.10 0.44 0.55 -0.83 0.00 0.00 0.00 175.10 175.37 1upb s GLY 224 N 0.81 2.15 0.39 4.51 0.00 -0.91 -2.10 107.32 112.18 1upb s GLY 224 Ca 0.00 -1.54 0.15 0.00 0.00 0.00 0.00 44.72 43.34 1upb s GLY 224 CO 0.02 -1.87 1.84 0.00 0.00 0.00 0.00 173.10 173.09 1upb h ALA 225 N 0.51 1.32 -0.20 3.20 0.00 -1.88 -2.65 119.26 119.55 1upb h ALA 225 Ca -0.34 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1upb h ALA 225 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1upb h ALA 225 CO 0.51 0.44 0.14 0.00 0.00 0.00 0.00 179.25 180.34 1upb h ALA 226 N 1.65 2.12 -0.64 0.00 0.00 -1.90 0.79 119.26 121.28 1upb h ALA 226 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 226 Cb 0.66 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1upb h ALA 226 CO 0.05 -0.17 0.42 0.00 0.00 0.00 0.00 179.25 179.55 1upb h ALA 227 N 1.90 0.81 -0.30 0.00 0.00 -1.70 -2.00 119.26 117.97 1upb h ALA 227 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1upb h ALA 227 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1upb h ALA 227 CO -0.01 0.22 0.02 0.82 0.00 0.00 0.00 179.25 180.31 1upb h ILE 228 N 0.85 1.25 -0.17 0.00 2.04 -1.00 -2.24 117.51 118.22 1upb h ILE 228 Ca 0.24 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1upb h ILE 228 Cb -0.08 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1upb h ILE 228 CO -0.06 0.28 0.09 0.03 0.00 0.00 0.00 178.15 178.49 1upb h ARG 229 N 0.32 0.23 0.00 2.37 3.08 -1.20 -0.40 114.38 118.78 1upb h ARG 229 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1upb h ARG 229 Cb 0.39 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1upb h ARG 229 CO 0.01 0.18 0.00 0.45 -1.07 0.00 0.00 179.97 179.54 1upb n SER 230 N -4.48 0.57 -0.35 7.04 2.88 -0.76 -4.54 113.62 113.97 1upb n SER 230 Ca -0.00 0.62 -0.03 0.00 -1.33 0.00 0.00 58.87 58.13 1upb n SER 230 Cb 0.10 -0.75 -0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1upb n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upb n GLY 231 N 0.20 0.32 1.05 0.46 0.00 -0.16 -4.64 105.19 102.42 1upb n GLY 231 Ca 0.03 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1upb n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upb n ALA 232 N -1.30 2.44 0.36 4.61 0.00 -0.85 -4.68 120.51 121.09 1upb n ALA 232 Ca -0.03 -0.90 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 1upb n ALA 232 Cb 0.52 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1upb n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upb h VAL 233 N 4.14 0.32 -0.97 0.00 2.07 -1.88 -0.37 116.25 119.56 1upb h VAL 233 Ca 0.00 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1upb h VAL 233 Cb 0.91 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1upb h VAL 233 CO 0.00 0.01 0.61 -0.65 0.02 0.00 0.00 177.57 177.55 1upb h PRO 234 N -0.95 0.96 -0.38 1.57 0.11 -1.91 -1.34 132.00 130.06 1upb h PRO 234 Ca -0.09 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.85 1upb h PRO 234 Cb 0.71 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1upb h PRO 234 CO 0.15 0.64 -0.22 0.00 -0.21 0.00 0.00 178.00 178.36 1upb h ALA 235 N 1.51 0.91 -0.27 -0.75 0.00 -1.83 -0.81 119.26 118.01 1upb h ALA 235 Ca 0.47 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 235 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1upb h ALA 235 CO -0.25 0.62 -0.25 0.82 0.00 0.00 0.00 179.25 180.19 1upb h ILE 236 N 0.65 1.31 -0.29 0.00 2.04 -0.68 -1.77 117.51 118.77 1upb h ILE 236 Ca 0.09 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1upb h ILE 236 Cb 0.72 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1upb h ILE 236 CO 0.06 0.45 0.19 -0.09 0.00 0.00 0.00 178.15 178.75 1upb h ARG 237 N 0.38 0.38 -0.75 2.37 2.43 -1.13 -0.58 114.38 117.48 1upb h ARG 237 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1upb h ARG 237 Cb 0.82 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1upb h ARG 237 CO 0.06 0.25 0.47 0.00 -1.51 0.00 0.00 179.97 179.25 1upb h ALA 238 N 1.10 0.96 0.04 2.80 0.00 -1.09 -0.44 119.26 122.63 1upb h ALA 238 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upb h ALA 238 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1upb h ALA 238 CO -0.02 0.41 -0.02 1.25 0.00 0.00 0.00 179.25 180.87 1upb h LEU 239 N 1.03 -0.04 -0.78 0.00 5.85 -1.06 -2.22 115.31 118.09 1upb h LEU 239 Ca 0.27 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1upb h LEU 239 Cb -0.07 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1upb h LEU 239 CO -0.05 0.07 0.49 0.00 -0.34 0.00 0.00 178.44 178.61 1upb h ALA 240 N 0.81 1.05 -0.26 1.25 0.00 -0.94 -2.23 119.26 118.93 1upb h ALA 240 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1upb h ALA 240 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1upb h ALA 240 CO 0.01 0.26 -0.33 0.93 0.00 0.00 0.00 179.25 180.11 1upb h GLU 241 N 0.93 0.56 -0.25 0.00 5.08 -0.97 0.61 114.58 120.55 1upb h GLU 241 Ca 0.33 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1upb h GLU 241 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1upb h GLU 241 CO -0.14 0.82 -0.60 -0.09 -1.00 0.00 0.00 179.01 178.01 1upb h ARG 242 N 0.48 0.82 -0.06 2.33 2.43 -1.21 -3.31 114.38 115.86 1upb h ARG 242 Ca 0.05 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1upb h ARG 242 Cb 0.81 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1upb h ARG 242 CO 0.07 1.18 0.00 1.28 -1.51 0.00 0.00 179.97 180.98 1upb n LEU 243 N -3.98 3.02 -3.71 3.80 4.77 -0.86 -4.19 117.00 115.85 1upb n LEU 243 Ca -0.05 -1.05 -0.24 0.00 -0.03 0.00 0.00 56.01 54.64 1upb n LEU 243 Cb 0.65 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1upb n LEU 243 CO 0.50 0.52 0.07 -3.20 -1.33 0.00 0.00 177.39 173.96 1upb n ASN 244 N 1.34 -3.33 -4.54 -1.43 5.15 0.15 -1.30 115.26 111.30 1upb n ASN 244 Ca 0.14 -0.73 -0.37 0.00 -0.60 0.00 0.00 54.58 53.02 1upb n ASN 244 Cb 0.59 -4.34 -0.11 0.00 -0.53 0.00 0.00 39.78 35.38 1upb n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upb s ILE 245 N -3.45 4.95 0.49 -1.44 1.01 -0.84 -4.28 121.20 117.64 1upb s ILE 245 Ca 0.31 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 1upb s ILE 245 Cb -0.15 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 1upb s ILE 245 CO 0.79 0.29 1.33 -2.65 0.00 0.00 0.00 174.94 174.70 1upb n PRO 246 N 4.93 1.84 -3.84 2.79 -0.02 -1.26 -4.71 135.00 134.72 1upb n PRO 246 Ca -0.15 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 1upb n PRO 246 Cb 0.52 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 1upb n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upb s VAL 247 N -1.26 3.46 0.02 -1.45 1.01 -0.27 -1.23 120.40 120.68 1upb s VAL 247 Ca 0.67 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1upb s VAL 247 Cb -0.45 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1upb s VAL 247 CO 0.53 0.05 0.06 -0.63 0.00 0.00 0.00 175.10 175.12 1upb s ILE 248 N 1.39 4.56 0.23 2.22 1.01 0.21 -1.97 121.20 128.85 1upb s ILE 248 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1upb s ILE 248 Cb -0.18 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1upb s ILE 248 CO -0.00 0.29 -0.06 0.42 0.00 0.00 0.00 174.94 175.59 1upb s THR 249 N -1.23 1.39 1.11 2.92 -4.23 -0.85 -0.85 115.64 113.89 1upb s THR 249 Ca 0.24 -2.10 -0.17 0.00 -1.18 0.00 0.00 61.69 58.48 1upb s THR 249 Cb -0.12 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.71 1upb s THR 249 CO 0.15 -0.43 1.16 0.42 -0.54 0.00 0.00 174.62 175.38 1upb s THR 250 N -3.19 1.76 0.14 3.99 -4.23 -0.89 -2.11 115.64 111.10 1upb s THR 250 Ca 0.26 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.56 1upb s THR 250 Cb 0.03 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1upb s THR 250 CO 0.08 0.00 1.67 1.88 -0.54 0.00 0.00 174.62 177.71 1upb h TYR 251 N -2.22 -0.35 -0.00 3.99 0.05 -1.86 -2.85 116.97 113.73 1upb h TYR 251 Ca -0.46 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1upb h TYR 251 Cb 1.29 0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.21 1upb h TYR 251 CO -1.49 -0.21 -0.42 0.44 -1.05 0.00 0.00 178.16 175.44 1upb n ILE 252 N -5.29 0.00 1.89 -2.88 -5.35 -1.26 -3.32 119.36 103.15 1upb n ILE 252 Ca -0.02 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1upb n ILE 252 Cb 0.21 0.31 0.65 0.00 -1.74 0.00 0.00 39.64 39.07 1upb n ILE 252 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upb n ALA 253 N -1.18 2.62 -1.77 -1.28 0.00 -1.08 -3.35 120.51 114.47 1upb n ALA 253 Ca 0.08 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1upb n ALA 253 Cb 0.34 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 1upb n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upb n LYS 254 N -0.68 2.68 -0.46 0.00 5.02 -1.19 -2.77 118.16 120.77 1upb n LYS 254 Ca 0.17 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 1upb n LYS 254 Cb 0.12 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 1upb n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upb n GLY 255 N 0.77 0.74 0.28 0.72 0.00 -1.26 -3.49 105.19 102.95 1upb n GLY 255 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1upb n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upb h VAL 256 N 0.00 0.42 -3.72 1.61 -1.51 -1.74 -2.73 116.25 108.58 1upb h VAL 256 Ca 0.00 -0.45 -0.68 0.00 -1.23 0.00 0.00 66.70 64.34 1upb h VAL 256 Cb 0.00 1.32 -0.19 0.00 -2.13 0.00 0.00 31.29 30.28 1upb h VAL 256 CO 0.00 0.08 -0.82 -0.76 -1.23 0.00 0.00 177.57 174.85 1upb s LEU 257 N -6.99 2.59 0.72 4.19 1.43 -1.26 -4.84 118.68 114.51 1upb s LEU 257 Ca -0.03 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 1upb s LEU 257 Cb 0.13 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.93 1upb s LEU 257 CO 0.56 0.17 1.20 -2.84 0.23 0.00 0.00 176.35 175.67 1upb s PRO 258 N -2.17 2.25 0.21 1.29 0.02 -1.26 -4.77 135.00 130.56 1upb s PRO 258 Ca 0.17 1.74 -0.32 0.00 0.02 0.00 0.00 61.00 62.61 1upb s PRO 258 Cb -0.10 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 1upb s PRO 258 CO 0.09 -1.75 1.44 0.28 -0.33 0.00 0.00 177.00 176.73 1upb n VAL 259 N -2.62 0.67 0.00 3.83 0.31 -1.25 -2.26 118.33 117.00 1upb n VAL 259 Ca 0.13 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1upb n VAL 259 Cb 0.50 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1upb n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upb n GLY 260 N 2.49 1.71 3.74 2.92 0.00 -1.26 -5.04 105.19 109.75 1upb n GLY 260 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1upb n GLY 260 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1upb s HIS 261 N -2.37 2.92 0.42 1.61 5.04 -0.96 -4.89 115.29 117.07 1upb s HIS 261 Ca 0.00 0.88 0.33 0.00 -1.54 0.00 0.00 55.06 54.73 1upb s HIS 261 Cb 0.00 -3.93 1.70 0.00 0.04 0.00 0.00 32.58 30.39 1upb s HIS 261 CO 0.00 -3.11 2.14 1.05 -2.34 0.00 0.00 174.74 172.47 1upb h GLU 262 N 5.19 0.00 -0.02 2.88 4.11 -1.96 -1.49 114.58 123.29 1upb h GLU 262 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1upb h GLU 262 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1upb h GLU 262 CO 0.80 0.06 -0.11 1.28 0.07 0.00 0.00 179.01 181.11 1upb n LEU 263 N -3.40 1.77 -4.57 3.06 4.77 -1.26 -4.74 117.00 112.63 1upb n LEU 263 Ca -0.02 -0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 55.04 1upb n LEU 263 Cb 0.20 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1upb n LEU 263 CO 0.27 0.30 1.57 0.21 -1.33 0.00 0.00 177.39 178.41 1upb s ASN 264 N -2.17 5.81 0.00 -1.43 3.84 -0.56 -1.11 114.94 119.32 1upb s ASN 264 Ca 0.31 -1.55 0.24 0.00 0.21 0.00 0.00 52.86 52.07 1upb s ASN 264 Cb 0.20 -2.58 1.34 0.00 -0.55 0.00 0.00 41.25 39.66 1upb s ASN 264 CO 0.40 -2.20 1.87 -1.22 -2.79 0.00 0.00 177.10 173.16 1upb n TYR 265 N 11.65 0.02 0.00 0.43 4.02 -0.83 -4.91 117.16 127.53 1upb n TYR 265 Ca 0.42 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1upb n TYR 265 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1upb n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upb n GLY 266 N 0.91 -0.58 3.96 2.72 0.00 -1.26 -4.92 105.19 106.02 1upb n GLY 266 Ca 0.18 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1upb n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upb s ALA 267 N -1.20 3.83 -0.07 4.61 0.00 -1.26 -2.01 121.76 125.66 1upb s ALA 267 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1upb s ALA 267 Cb 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 1upb s ALA 267 CO 0.00 -0.04 -0.06 0.08 0.00 0.00 0.00 175.76 175.74 1upb s VAL 268 N -2.28 3.78 -0.01 0.00 1.01 -0.90 -4.88 120.40 117.12 1upb s VAL 268 Ca 0.41 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1upb s VAL 268 Cb -0.10 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1upb s VAL 268 CO 0.34 0.59 0.03 0.28 0.00 0.00 0.00 175.10 176.34 1upb s THR 269 N -0.83 0.00 0.61 3.92 -1.32 -1.26 -4.61 115.64 112.15 1upb s THR 269 Ca 0.13 -0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.86 1upb s THR 269 Cb -0.11 -0.06 0.29 0.00 -1.51 0.00 0.00 72.50 71.11 1upb s THR 269 CO 0.02 -0.02 1.87 1.23 -2.21 0.00 0.00 174.62 175.51 1upb h GLY 270 N 6.05 0.00 1.06 6.08 0.00 -1.92 -1.89 103.07 112.45 1upb h GLY 270 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1upb h GLY 270 CO 0.49 0.00 -0.16 -1.72 0.00 0.00 0.00 176.54 175.15 1upb n TYR 271 N -2.82 0.00 -0.05 5.60 4.02 -1.26 -4.32 117.16 118.33 1upb n TYR 271 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1upb n TYR 271 Cb 0.37 -0.24 0.14 0.00 -0.02 0.00 0.00 39.34 39.59 1upb n TYR 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1upb h MET 272 N 0.43 0.67 -0.57 -0.72 -0.00 -1.72 -1.64 114.93 111.37 1upb h MET 272 Ca 0.00 -0.25 -0.07 0.00 -0.00 0.00 0.00 59.70 59.38 1upb h MET 272 Cb 0.41 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.95 1upb h MET 272 CO 0.00 0.83 0.09 -0.44 -0.00 0.00 0.00 176.91 177.38 1upb h ASP 273 N 0.59 0.92 -0.20 -0.10 5.19 -1.80 -1.98 116.42 119.03 1upb h ASP 273 Ca 0.09 -0.26 -0.17 0.00 -0.62 0.00 0.00 57.03 56.06 1upb h ASP 273 Cb 0.68 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1upb h ASP 273 CO 0.05 0.95 -0.52 1.23 -3.12 0.00 0.00 179.24 177.83 1upb h GLY 274 N 0.85 0.86 1.29 2.75 0.00 -1.36 -0.63 103.07 106.83 1upb h GLY 274 Ca 0.17 -0.98 -0.17 0.00 0.00 0.00 0.00 47.33 46.36 1upb h GLY 274 CO 0.01 0.88 -0.52 -2.22 0.00 0.00 0.00 176.54 174.69 1upb h ILE 275 N 0.61 1.29 -0.00 2.60 2.04 -1.25 -3.20 117.51 119.60 1upb h ILE 275 Ca 0.02 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1upb h ILE 275 Cb 1.10 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1upb h ILE 275 CO 0.11 0.55 -0.46 0.18 0.00 0.00 0.00 178.15 178.53 1upb n LEU 276 N -4.00 0.80 -3.92 1.44 4.77 -0.75 -4.96 117.00 110.38 1upb n LEU 276 Ca -0.03 -0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.42 1upb n LEU 276 Cb 0.60 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1upb n LEU 276 CO 0.49 0.17 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.35 1upb n ASN 277 N -1.14 -3.70 -3.66 -1.43 5.15 -0.26 -4.97 115.26 105.25 1upb n ASN 277 Ca 0.08 -1.05 -0.15 0.00 -0.60 0.00 0.00 54.58 52.86 1upb n ASN 277 Cb 0.35 -1.36 -0.08 0.00 -0.53 0.00 0.00 39.78 38.15 1upb n ASN 277 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1upb s PHE 278 N -3.47 -0.52 -1.43 1.20 5.36 -1.07 -5.07 117.98 112.99 1upb s PHE 278 Ca 0.30 1.07 -0.14 0.00 -0.96 0.00 0.00 56.93 57.20 1upb s PHE 278 Cb -0.17 0.24 0.03 0.00 -0.34 0.00 0.00 43.02 42.78 1upb s PHE 278 CO 0.82 -0.41 2.22 -0.35 -1.46 0.00 0.00 175.22 176.04 1upb n PRO 279 N 1.85 2.79 0.03 10.12 -0.04 -1.26 -4.39 135.00 144.10 1upb n PRO 279 Ca -0.17 -2.56 -0.19 0.00 -0.04 0.00 0.00 63.50 60.54 1upb n PRO 279 Cb 0.56 -3.27 -0.12 0.00 -0.04 0.00 0.00 33.50 30.64 1upb n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upb h ALA 280 N 6.09 0.05 -0.53 0.55 0.00 -1.91 -2.25 119.26 121.27 1upb h ALA 280 Ca 0.56 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1upb h ALA 280 Cb 0.64 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1upb h ALA 280 CO 1.89 0.48 0.34 -0.07 0.00 0.00 0.00 179.25 181.90 1upb h LEU 281 N 0.04 0.59 -0.34 0.00 3.38 -1.92 -0.58 115.31 116.48 1upb h LEU 281 Ca -0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1upb h LEU 281 Cb 1.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1upb h LEU 281 CO 0.16 0.42 0.22 1.56 0.09 0.00 0.00 178.44 180.89 1upb h GLN 282 N 0.70 0.46 -0.85 1.13 1.08 -1.91 -0.42 115.11 115.29 1upb h GLN 282 Ca 0.20 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1upb h GLN 282 Cb -0.06 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 1upb h GLN 282 CO -0.05 0.33 0.45 1.15 -0.95 0.00 0.00 178.83 179.75 1upb h THR 283 N 0.45 1.25 -0.20 -0.54 2.02 -1.08 0.30 112.91 115.12 1upb h THR 283 Ca 0.12 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 1upb h THR 283 Cb -0.02 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1upb h THR 283 CO -0.02 0.29 -0.41 -0.03 0.37 0.00 0.00 175.52 175.71 1upb h MET 284 N 1.20 0.47 0.00 6.66 1.85 -0.78 -3.40 114.93 120.93 1upb h MET 284 Ca 0.30 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1upb h MET 284 Cb 0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.10 1upb h MET 284 CO -0.04 0.80 -0.67 1.19 -0.40 0.00 0.00 176.91 177.79 1upb n PHE 285 N -4.02 0.00 -0.18 1.39 3.72 -0.20 -4.84 117.46 113.33 1upb n PHE 285 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1upb n PHE 285 Cb 0.51 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.10 1upb n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upb h ALA 286 N 0.00 0.37 -0.00 4.37 0.00 -0.51 -1.10 119.26 122.39 1upb h ALA 286 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1upb h ALA 286 Cb 0.03 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1upb h ALA 286 CO 0.00 -0.43 -0.04 -0.35 0.00 0.00 0.00 179.25 178.42 1upb n PRO 287 N -5.38 0.97 -2.40 0.00 -0.04 -1.26 -1.89 135.00 125.00 1upb n PRO 287 Ca 0.06 -0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 1upb n PRO 287 Cb 0.29 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 1upb n PRO 287 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upb s VAL 288 N -2.22 3.76 -0.56 0.52 1.01 -0.42 -4.62 120.40 117.85 1upb s VAL 288 Ca 0.37 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.82 1upb s VAL 288 Cb 0.21 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1upb s VAL 288 CO 0.41 0.18 0.46 -0.90 0.00 0.00 0.00 175.10 175.25 1upb n ASP 289 N 3.03 0.79 -3.63 3.32 5.75 -0.98 -4.66 116.55 120.18 1upb n ASP 289 Ca 0.06 -0.90 -0.20 0.00 -0.01 0.00 0.00 54.79 53.75 1upb n ASP 289 Cb 0.45 0.65 -0.16 0.00 -1.03 0.00 0.00 41.12 41.04 1upb n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upb s LEU 290 N -1.76 0.06 -0.25 -2.12 2.96 -1.25 -1.64 118.68 114.68 1upb s LEU 290 Ca 0.05 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1upb s LEU 290 Cb 0.06 0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.82 1upb s LEU 290 CO 0.22 -0.28 0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 1upb s VAL 291 N 2.24 3.97 -0.46 1.68 1.01 -0.13 -1.40 120.40 127.31 1upb s VAL 291 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1upb s VAL 291 Cb -0.13 -2.89 0.11 0.00 0.00 0.00 0.00 36.38 33.46 1upb s VAL 291 CO -0.07 0.30 0.32 -0.76 0.00 0.00 0.00 175.10 174.89 1upb s LEU 292 N 1.55 5.55 -0.69 3.92 1.02 -0.74 -0.77 118.68 128.52 1upb s LEU 292 Ca 0.05 -1.81 -0.24 0.00 0.02 0.00 0.00 54.13 52.16 1upb s LEU 292 Cb -0.15 -2.00 0.06 0.00 0.02 0.00 0.00 46.19 44.11 1upb s LEU 292 CO 0.01 -0.65 1.06 0.42 0.02 0.00 0.00 176.35 177.21 1upb s THR 293 N 1.38 4.15 -0.36 5.49 -4.23 -0.30 -0.82 115.64 120.94 1upb s THR 293 Ca 0.05 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.20 1upb s THR 293 Cb -0.25 -4.76 0.00 0.00 1.34 0.00 0.00 72.50 68.83 1upb s THR 293 CO -0.00 -1.58 0.60 -0.69 -0.54 0.00 0.00 174.62 172.41 1upb s VAL 294 N 4.53 4.92 -0.64 2.29 1.01 0.11 -1.93 120.40 130.70 1upb s VAL 294 Ca 0.26 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1upb s VAL 294 Cb -0.14 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1upb s VAL 294 CO 0.11 -0.32 0.54 0.61 0.00 0.00 0.00 175.10 176.05 1upb n GLY 295 N 4.75 0.10 3.77 4.51 0.00 0.51 -2.13 105.19 116.70 1upb n GLY 295 Ca -0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1upb n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upb s TYR 296 N -3.17 3.23 -0.25 1.61 5.04 -1.05 -4.10 117.35 118.67 1upb s TYR 296 Ca 0.12 1.52 -0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1upb s TYR 296 Cb -0.05 -3.53 0.14 0.00 0.35 0.00 0.00 41.96 38.87 1upb s TYR 296 CO 0.37 -1.37 0.43 0.34 -1.34 0.00 0.00 175.55 173.98 1upb s ASP 297 N -0.66 -0.13 0.50 4.32 -1.08 -1.26 -4.89 116.67 113.47 1upb s ASP 297 Ca 0.48 0.44 0.24 0.00 -0.52 0.00 0.00 52.55 53.19 1upb s ASP 297 Cb -0.37 1.35 1.32 0.00 -1.46 0.00 0.00 42.92 43.76 1upb s ASP 297 CO 0.48 -0.28 1.93 0.22 0.52 0.00 0.00 175.17 178.04 1upb h TYR 298 N 8.15 0.16 -0.64 -5.34 3.20 -1.96 -1.78 116.97 118.76 1upb h TYR 298 Ca -0.20 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.73 1upb h TYR 298 Cb 1.15 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1upb h TYR 298 CO 0.13 0.05 0.42 0.00 -1.64 0.00 0.00 178.16 177.13 1upb h ALA 299 N 1.65 1.74 0.00 1.82 0.00 -1.94 -0.72 119.26 121.80 1upb h ALA 299 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1upb h ALA 299 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1upb h ALA 299 CO -0.05 0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.30 1upb h GLU 300 N 0.68 0.00 -0.05 0.00 5.08 -1.56 -3.30 114.58 115.42 1upb h GLU 300 Ca 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1upb h GLU 300 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1upb h GLU 300 CO -0.08 0.00 -0.02 -3.47 -1.00 0.00 0.00 179.01 174.44 1upb n ASP 301 N -2.44 -3.33 -4.49 1.42 2.03 -0.28 -4.76 116.55 104.70 1upb n ASP 301 Ca -0.01 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 1upb n ASP 301 Cb 0.09 -0.92 -0.04 0.00 -0.72 0.00 0.00 41.12 39.53 1upb n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upb s LEU 302 N -0.26 4.22 0.15 -2.67 2.96 -1.26 -4.74 118.68 117.08 1upb s LEU 302 Ca 0.00 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1upb s LEU 302 Cb 0.00 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1upb s LEU 302 CO 0.00 -1.34 0.17 -0.13 -1.32 0.00 0.00 176.35 173.73 1upb s ARG 303 N 4.03 3.02 0.31 1.98 0.52 -1.26 -4.81 118.95 122.74 1upb s ARG 303 Ca 0.26 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 1upb s ARG 303 Cb -0.15 -2.73 0.80 0.00 0.52 0.00 0.00 34.95 33.40 1upb s ARG 303 CO 0.15 0.50 1.74 -1.35 0.02 0.00 0.00 175.30 176.36 1upb h PRO 304 N 2.43 0.60 -0.32 3.54 0.11 -1.96 -0.91 132.00 135.48 1upb h PRO 304 Ca -0.48 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.69 1upb h PRO 304 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1upb h PRO 304 CO 0.65 0.39 0.23 0.66 -0.21 0.00 0.00 178.00 179.72 1upb h SER 305 N 0.61 0.00 0.39 -2.05 4.64 -1.94 -1.81 113.55 113.38 1upb h SER 305 Ca 0.61 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.82 1upb h SER 305 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1upb h SER 305 CO -0.45 0.00 -0.48 0.24 -0.87 0.00 0.00 176.83 175.27 1upb h MET 306 N 0.00 0.11 -0.01 4.77 2.86 -1.53 -3.18 114.93 117.95 1upb h MET 306 Ca 0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1upb h MET 306 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1upb h MET 306 CO -0.00 0.57 -0.40 -2.67 1.06 0.00 0.00 176.91 175.47 1upb n TRP 307 N -3.97 0.00 -2.25 -0.22 2.14 -0.75 -4.73 117.44 107.67 1upb n TRP 307 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.13 1upb n TRP 307 Cb 0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.97 1upb n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upb n GLN 308 N -0.27 3.21 -4.56 -2.67 6.02 -0.82 -4.87 117.38 113.42 1upb n GLN 308 Ca 0.10 -3.18 -0.22 0.00 -0.01 0.00 0.00 57.00 53.70 1upb n GLN 308 Cb 0.42 -3.20 -0.15 0.00 1.02 0.00 0.00 30.24 28.34 1upb n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upb s LYS 309 N 2.39 1.10 7.25 -1.09 -0.14 -1.26 -5.01 119.74 122.99 1upb s LYS 309 Ca 0.46 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1upb s LYS 309 Cb 0.08 -1.04 0.00 0.00 -1.68 0.00 0.00 37.83 35.19 1upb s LYS 309 CO -0.02 0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 1upb n GLY 310 N 2.93 2.31 3.78 -3.33 0.00 -1.26 -3.85 105.19 105.77 1upb n GLY 310 Ca -0.15 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1upb n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upb s ILE 311 N 0.00 3.39 0.27 -0.61 -4.36 -0.79 -4.97 121.20 114.13 1upb s ILE 311 Ca 0.00 0.45 -0.30 0.00 -0.26 0.00 0.00 60.65 60.54 1upb s ILE 311 Cb 0.00 -3.02 -0.10 0.00 1.25 0.00 0.00 42.46 40.59 1upb s ILE 311 CO 0.00 -0.59 1.40 -1.61 0.24 0.00 0.00 174.94 174.38 1upb s GLU 312 N -4.96 4.29 0.13 0.37 0.41 -1.26 -4.94 118.70 112.74 1upb s GLU 312 Ca 0.61 2.27 0.11 0.00 -0.41 0.00 0.00 54.97 57.54 1upb s GLU 312 Cb -0.16 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.05 1upb s GLU 312 CO 0.56 -0.35 -0.25 0.15 -0.49 0.00 0.00 175.26 174.87 1upb s LYS 313 N -0.80 1.48 0.16 1.61 1.02 -1.26 -4.73 119.74 117.22 1upb s LYS 313 Ca 0.56 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 1upb s LYS 313 Cb -0.41 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1upb s LYS 313 CO 0.46 0.46 0.35 0.15 -0.92 0.00 0.00 175.35 175.85 1upb s LYS 314 N -2.09 3.53 0.05 1.68 -0.14 -0.65 -4.99 119.74 117.13 1upb s LYS 314 Ca 0.15 -0.30 0.06 0.00 -1.36 0.00 0.00 55.97 54.52 1upb s LYS 314 Cb -0.10 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 1upb s LYS 314 CO 0.07 0.45 -0.18 0.95 -0.76 0.00 0.00 175.35 175.88 1upb s THR 315 N -1.75 1.45 -0.17 2.17 -4.23 -1.26 -0.95 115.64 110.89 1upb s THR 315 Ca 0.38 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1upb s THR 315 Cb -0.12 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.47 1upb s THR 315 CO 0.28 0.09 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.64 1upb s VAL 316 N -0.87 1.60 -0.09 2.29 1.01 0.05 -2.02 120.40 122.36 1upb s VAL 316 Ca 0.05 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1upb s VAL 316 Cb -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1upb s VAL 316 CO 0.02 0.32 0.55 -0.60 0.00 0.00 0.00 175.10 175.38 1upb s ARG 317 N 1.45 4.36 -0.16 2.72 3.52 -0.22 -1.15 118.95 129.46 1upb s ARG 317 Ca 0.02 0.59 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1upb s ARG 317 Cb -0.14 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1upb s ARG 317 CO -0.09 0.15 -0.17 0.42 -0.81 0.00 0.00 175.30 174.79 1upb s ILE 318 N 0.59 1.83 -0.09 4.11 1.09 -0.81 -0.24 121.20 127.68 1upb s ILE 318 Ca 0.30 -0.80 -0.26 0.00 -1.10 0.00 0.00 60.65 58.78 1upb s ILE 318 Cb -0.16 -1.68 0.06 0.00 -1.06 0.00 0.00 42.46 39.62 1upb s ILE 318 CO 0.13 0.50 0.62 -0.55 -0.10 0.00 0.00 174.94 175.54 1upb s SER 319 N 1.34 -0.60 0.00 3.58 0.15 -0.72 -0.36 113.70 117.09 1upb s SER 319 Ca 0.04 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1upb s SER 319 Cb -0.13 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1upb s SER 319 CO -0.11 -0.49 0.52 -0.81 1.20 0.00 0.00 173.24 173.55 1upb n PRO 320 N 1.43 0.85 -4.05 5.44 -0.04 -0.88 -1.43 135.00 136.33 1upb n PRO 320 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1upb n PRO 320 Cb 0.56 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 1upb n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upb s THR 321 N -0.75 0.35 0.46 0.52 -4.23 -1.26 -1.12 115.64 109.61 1upb s THR 321 Ca 0.00 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 1upb s THR 321 Cb 0.00 -0.75 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 1upb s THR 321 CO 0.00 -0.58 1.15 -0.69 -0.54 0.00 0.00 174.62 173.95 1upb s VAL 322 N -2.08 3.19 -0.23 2.29 1.01 -1.26 -4.84 120.40 118.49 1upb s VAL 322 Ca -0.07 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1upb s VAL 322 Cb -0.05 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1upb s VAL 322 CO -0.02 -0.03 2.20 -3.20 0.00 0.00 0.00 175.10 174.04 1upb n ASN 323 N -0.55 3.09 -0.02 3.32 5.15 -1.26 -4.86 115.26 120.13 1upb n ASN 323 Ca 0.08 0.30 0.14 0.00 -0.60 0.00 0.00 54.58 54.50 1upb n ASN 323 Cb 0.49 -1.49 0.66 0.00 -0.53 0.00 0.00 39.78 38.90 1upb n ASN 323 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1upb n PRO 324 N 8.53 0.33 -2.80 1.20 -0.04 -1.26 -4.45 135.00 136.51 1upb n PRO 324 Ca 0.31 -0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 1upb n PRO 324 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1upb n PRO 324 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1upb n ILE 325 N -1.29 1.12 0.30 0.52 -5.35 -1.26 -4.91 119.36 108.49 1upb n ILE 325 Ca 0.12 -4.03 0.16 0.00 -0.27 0.00 0.00 62.75 58.74 1upb n ILE 325 Cb 0.28 -0.11 0.97 0.00 -1.74 0.00 0.00 39.64 39.04 1upb n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upb h PRO 326 N 2.93 0.00 -0.08 6.28 0.13 -1.78 -0.61 132.00 138.86 1upb h PRO 326 Ca 0.04 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1upb h PRO 326 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1upb h PRO 326 CO 0.59 0.00 0.07 -0.09 -0.23 0.00 0.00 178.00 178.34 1upb h ARG 327 N 0.00 0.00 0.00 0.86 2.43 -1.98 -3.35 114.38 112.35 1upb h ARG 327 Ca -0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1upb h ARG 327 Cb 0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1upb h ARG 327 CO 0.00 0.00 -1.76 0.28 -1.51 0.00 0.00 179.97 176.98 1upb n VAL 328 N -4.37 0.76 -3.98 0.20 0.31 -0.34 -4.94 118.33 105.97 1upb n VAL 328 Ca -0.01 -0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1upb n VAL 328 Cb 0.18 -1.17 -0.16 0.00 -0.91 0.00 0.00 33.84 31.78 1upb n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upb s TYR 329 N -2.26 2.51 -0.55 3.52 5.04 -0.58 -4.86 117.35 120.17 1upb s TYR 329 Ca -0.18 -1.74 0.02 0.00 -2.44 0.00 0.00 57.07 52.72 1upb s TYR 329 Cb 0.05 -1.65 0.14 0.00 0.35 0.00 0.00 41.96 40.85 1upb s TYR 329 CO 0.29 -0.77 0.32 1.03 -1.34 0.00 0.00 175.55 175.08 1upb s ARG 330 N 1.36 2.17 0.57 4.97 0.52 -1.26 -4.03 118.95 123.25 1upb s ARG 330 Ca -0.04 -2.59 -0.20 0.00 -0.52 0.00 0.00 55.73 52.38 1upb s ARG 330 Cb -0.18 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1upb s ARG 330 CO -0.07 -1.13 1.27 -1.25 0.02 0.00 0.00 175.30 174.14 1upb s PRO 331 N -0.21 3.07 0.23 3.54 0.04 -1.26 -4.92 135.00 135.48 1upb s PRO 331 Ca 0.17 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 1upb s PRO 331 Cb -0.24 -2.10 0.22 0.00 0.04 0.00 0.00 34.50 32.42 1upb s PRO 331 CO -0.01 -1.18 1.79 -0.44 0.04 0.00 0.00 177.00 177.20 1upb h ASP 332 N 1.19 1.03 -3.41 6.66 3.32 -1.84 -3.42 116.42 119.95 1upb h ASP 332 Ca -0.51 -0.16 -0.51 0.00 0.02 0.00 0.00 57.03 55.87 1upb h ASP 332 Cb 1.30 -0.27 -0.34 0.00 0.22 0.00 0.00 39.33 40.24 1upb h ASP 332 CO 0.56 0.93 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.51 1upb s VAL 333 N -5.48 1.09 -0.26 -1.35 1.01 -0.86 -5.02 120.40 109.52 1upb s VAL 333 Ca -0.12 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1upb s VAL 333 Cb 0.16 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1upb s VAL 333 CO 0.83 0.35 -0.08 -0.62 0.00 0.00 0.00 175.10 175.57 1upb s ASP 334 N 0.71 4.43 -0.50 3.32 -1.08 -1.26 -1.06 116.67 121.24 1upb s ASP 334 Ca -0.14 -1.23 -0.09 0.00 -0.52 0.00 0.00 52.55 50.57 1upb s ASP 334 Cb -0.16 -1.60 0.13 0.00 -1.46 0.00 0.00 42.92 39.83 1upb s ASP 334 CO 0.03 -0.18 0.37 -0.69 0.52 0.00 0.00 175.17 175.22 1upb s VAL 335 N 1.19 4.25 -0.52 1.11 1.01 0.66 -4.94 120.40 123.16 1upb s VAL 335 Ca -0.06 -1.90 -0.19 0.00 0.00 0.00 0.00 61.98 59.84 1upb s VAL 335 Cb -0.19 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1upb s VAL 335 CO -0.05 -0.80 0.61 -0.69 0.00 0.00 0.00 175.10 174.18 1upb s VAL 336 N 1.21 4.92 0.11 2.92 1.01 -1.26 -1.76 120.40 127.54 1upb s VAL 336 Ca 0.07 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 1upb s VAL 336 Cb -0.25 -4.32 0.09 0.00 0.00 0.00 0.00 36.38 31.90 1upb s VAL 336 CO -0.01 -0.85 1.12 0.28 0.00 0.00 0.00 175.10 175.63 1upb s THR 337 N 2.49 0.00 0.23 3.92 -1.32 -0.51 -1.26 115.64 119.19 1upb s THR 337 Ca 0.13 -0.46 -0.30 0.00 -1.21 0.00 0.00 61.69 59.85 1upb s THR 337 Cb -0.21 -2.59 -0.09 0.00 -1.51 0.00 0.00 72.50 68.09 1upb s THR 337 CO 0.10 0.00 1.33 -0.62 -2.21 0.00 0.00 174.62 173.21 1upb s ASP 338 N -3.33 6.84 0.11 8.08 2.15 -1.26 -2.07 116.67 127.19 1upb s ASP 338 Ca 0.20 2.50 -0.21 0.00 0.43 0.00 0.00 52.55 55.47 1upb s ASP 338 Cb -0.01 -2.62 -0.08 0.00 -0.30 0.00 0.00 42.92 39.91 1upb s ASP 338 CO 0.02 -0.54 1.75 0.58 -0.17 0.00 0.00 175.17 176.80 1upb h VAL 339 N 3.55 0.97 -0.82 1.11 2.07 -1.93 -1.17 116.25 120.04 1upb h VAL 339 Ca -0.46 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1upb h VAL 339 Cb 1.22 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1upb h VAL 339 CO 0.75 0.02 0.51 0.25 0.02 0.00 0.00 177.57 179.12 1upb h LEU 340 N 0.12 0.80 -1.14 2.57 5.85 -1.89 -1.21 115.31 120.40 1upb h LEU 340 Ca 0.06 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1upb h LEU 340 Cb 0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1upb h LEU 340 CO -0.06 0.52 0.14 0.00 -0.34 0.00 0.00 178.44 178.71 1upb h ALA 341 N 1.38 1.31 0.09 1.25 0.00 -1.80 -1.53 119.26 119.96 1upb h ALA 341 Ca 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1upb h ALA 341 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1upb h ALA 341 CO -0.16 0.49 -0.04 0.35 0.00 0.00 0.00 179.25 179.89 1upb h PHE 342 N 0.73 -0.11 -0.70 0.00 3.57 -0.24 -1.73 116.94 118.46 1upb h PHE 342 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1upb h PHE 342 Cb 0.24 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1upb h PHE 342 CO 0.01 0.02 0.39 0.28 -2.23 0.00 0.00 178.31 176.78 1upb h VAL 343 N -0.21 1.21 -0.52 1.41 2.07 -0.86 -0.22 116.25 119.13 1upb h VAL 343 Ca -0.01 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1upb h VAL 343 Cb 0.18 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1upb h VAL 343 CO 0.02 0.23 0.05 -0.33 0.02 0.00 0.00 177.57 177.56 1upb h GLU 344 N 0.96 0.84 -0.36 1.57 5.08 -1.23 0.48 114.58 121.91 1upb h GLU 344 Ca 0.25 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1upb h GLU 344 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1upb h GLU 344 CO -0.04 0.81 -0.37 1.25 -1.00 0.00 0.00 179.01 179.65 1upb h HIS 345 N 0.79 1.08 -0.33 4.33 2.76 -0.84 -3.04 115.15 119.89 1upb h HIS 345 Ca 0.16 -0.33 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1upb h HIS 345 Cb 0.40 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1upb h HIS 345 CO 0.02 1.14 -0.13 0.35 -1.30 0.00 0.00 177.93 178.02 1upb h PHE 346 N 0.70 0.63 -0.37 5.26 3.57 -0.75 -1.77 116.94 124.21 1upb h PHE 346 Ca 0.06 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1upb h PHE 346 Cb 0.97 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1upb h PHE 346 CO 0.07 0.69 0.23 0.93 -2.23 0.00 0.00 178.31 178.00 1upb h GLU 347 N 0.53 0.50 -0.57 1.11 4.39 -0.88 -0.37 114.58 119.29 1upb h GLU 347 Ca 0.09 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1upb h GLU 347 Cb 0.54 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1upb h GLU 347 CO 0.03 0.36 0.19 1.15 -1.16 0.00 0.00 179.01 179.59 1upb h THR 348 N 0.49 1.24 0.00 1.13 2.02 -1.40 -0.16 112.91 116.22 1upb h THR 348 Ca 0.13 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1upb h THR 348 Cb -0.01 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1upb h THR 348 CO -0.03 0.30 -0.17 0.00 0.37 0.00 0.00 175.52 175.99 1upb h ALA 349 N 1.05 0.96 -0.24 6.16 0.00 -1.08 -3.01 119.26 123.10 1upb h ALA 349 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upb h ALA 349 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1upb h ALA 349 CO -0.01 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.71 1upb n THR 350 N -3.24 1.28 -0.32 0.00 -2.24 -0.17 -4.73 114.28 104.87 1upb n THR 350 Ca 0.01 -1.23 0.15 0.00 -2.27 0.00 0.00 64.05 60.71 1upb n THR 350 Cb 0.47 0.32 0.38 0.00 -2.10 0.00 0.00 70.33 69.40 1upb n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upb h ALA 351 N 1.44 1.84 0.00 6.98 0.00 -0.88 -0.35 119.26 128.29 1upb h ALA 351 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upb h ALA 351 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1upb h ALA 351 CO 0.04 -0.19 -0.07 0.66 0.00 0.00 0.00 179.25 179.69 1upb h SER 352 N 0.66 0.00 -3.98 0.00 4.64 -1.84 -3.46 113.55 109.56 1upb h SER 352 Ca 0.55 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 61.33 1upb h SER 352 Cb 0.99 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.17 1upb h SER 352 CO -0.32 0.01 0.58 -0.36 -0.87 0.00 0.00 176.83 175.87 1upb s PHE 353 N -3.14 2.71 0.57 4.77 0.40 -0.14 -5.05 117.98 118.10 1upb s PHE 353 Ca 0.09 1.44 0.10 0.00 -0.60 0.00 0.00 56.93 57.95 1upb s PHE 353 Cb 0.10 -3.62 0.09 0.00 0.51 0.00 0.00 43.02 40.10 1upb s PHE 353 CO 0.63 -2.11 0.79 0.20 0.70 0.00 0.00 175.22 175.43 1upb s GLY 354 N -0.96 1.73 0.24 4.36 0.00 -1.26 -4.98 107.32 106.45 1upb s GLY 354 Ca 0.62 -2.14 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 1upb s GLY 354 CO 0.45 -1.68 0.97 0.00 0.00 0.00 0.00 173.10 172.84 1upb s ALA 355 N -2.66 3.35 0.80 3.20 0.00 -1.26 -4.86 121.76 120.32 1upb s ALA 355 Ca 0.62 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1upb s ALA 355 Cb -0.06 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.89 1upb s ALA 355 CO 0.39 0.13 1.09 0.15 0.00 0.00 0.00 175.76 177.52 1upb s LYS 356 N -1.14 2.09 -0.32 0.00 -0.14 -0.42 -4.95 119.74 114.87 1upb s LYS 356 Ca 0.42 0.71 -0.24 0.00 -1.36 0.00 0.00 55.97 55.50 1upb s LYS 356 Cb -0.27 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 1upb s LYS 356 CO 0.33 -1.64 0.81 -0.65 -0.76 0.00 0.00 175.35 173.45 1upb s GLN 357 N -5.11 3.94 0.47 1.68 -1.52 -1.26 -4.74 119.66 113.13 1upb s GLN 357 Ca 0.61 0.59 -0.20 0.00 -1.95 0.00 0.00 55.36 54.41 1upb s GLN 357 Cb -0.15 -3.74 -0.09 0.00 -0.22 0.00 0.00 33.01 28.81 1upb s GLN 357 CO 0.55 -0.72 0.99 -0.98 -0.25 0.00 0.00 175.29 174.88 1upb s ARG 358 N 3.03 3.98 0.62 2.91 1.70 -1.26 -4.62 118.95 125.32 1upb s ARG 358 Ca 0.33 1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 56.66 1upb s ARG 358 Cb -0.14 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.07 1upb s ARG 358 CO 0.13 -0.25 1.03 -3.38 -1.08 0.00 0.00 175.30 171.75 1upb s HIS 359 N -2.20 3.53 -0.34 5.89 -3.43 -1.26 -5.02 115.29 112.46 1upb s HIS 359 Ca 0.63 1.33 -0.16 0.00 -0.80 0.00 0.00 55.06 56.06 1upb s HIS 359 Cb -0.12 -2.75 -0.01 0.00 -1.43 0.00 0.00 32.58 28.27 1upb s HIS 359 CO 0.20 -0.76 0.43 0.34 -2.00 0.00 0.00 174.74 172.95 1upb s ASP 360 N -4.02 6.24 -0.17 7.38 -1.08 -1.26 -4.93 116.67 118.83 1upb s ASP 360 Ca 0.56 -0.10 0.16 0.00 -0.52 0.00 0.00 52.55 52.65 1upb s ASP 360 Cb -0.11 -2.23 0.40 0.00 -1.46 0.00 0.00 42.92 39.52 1upb s ASP 360 CO 0.52 -0.39 1.27 2.30 0.52 0.00 0.00 175.17 179.40 1upb n ILE 361 N 5.31 2.12 0.03 4.11 -5.35 -1.26 -4.81 119.36 119.50 1upb n ILE 361 Ca -0.07 -2.31 0.06 0.00 -0.27 0.00 0.00 62.75 60.16 1upb n ILE 361 Cb 0.49 -0.25 0.48 0.00 -1.74 0.00 0.00 39.64 38.61 1upb n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upb h GLU 362 N 0.77 0.42 -0.63 6.28 4.39 -1.97 -1.97 114.58 121.87 1upb h GLU 362 Ca 0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1upb h GLU 362 Cb 1.21 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1upb h GLU 362 CO 0.11 0.28 0.26 -1.35 -1.16 0.00 0.00 179.01 177.15 1upb h PRO 363 N 0.44 0.92 -0.26 2.33 0.11 -1.99 0.59 132.00 134.13 1upb h PRO 363 Ca 0.15 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1upb h PRO 363 Cb 0.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1upb h PRO 363 CO -0.03 0.74 -0.13 1.25 -0.21 0.00 0.00 178.00 179.62 1upb h LEU 364 N 0.91 0.57 -0.91 2.35 5.85 -1.77 -2.28 115.31 120.02 1upb h LEU 364 Ca 0.22 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1upb h LEU 364 Cb 0.16 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1upb h LEU 364 CO -0.02 0.85 0.58 0.03 -0.34 0.00 0.00 178.44 179.54 1upb h ARG 365 N 0.28 1.05 -0.40 1.25 3.08 -1.14 -0.37 114.38 118.12 1upb h ARG 365 Ca 0.06 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1upb h ARG 365 Cb 0.64 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1upb h ARG 365 CO 0.04 0.69 -0.19 0.00 -1.07 0.00 0.00 179.97 179.44 1upb h ALA 366 N 1.41 0.91 -0.48 0.04 0.00 -0.81 -0.45 119.26 119.88 1upb h ALA 366 Ca 0.39 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1upb h ALA 366 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1upb h ALA 366 CO -0.16 0.62 -0.03 -0.09 0.00 0.00 0.00 179.25 179.59 1upb h ARG 367 N 0.69 0.87 -0.58 0.00 9.65 -0.89 -0.89 114.38 123.24 1upb h ARG 367 Ca 0.10 -0.29 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 1upb h ARG 367 Cb 0.69 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 1upb h ARG 367 CO 0.05 0.93 0.20 0.82 2.80 0.00 0.00 179.97 184.76 1upb h ILE 368 N 0.72 1.24 -0.21 1.20 2.04 -0.85 -2.35 117.51 119.30 1upb h ILE 368 Ca 0.13 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1upb h ILE 368 Cb 0.55 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1upb h ILE 368 CO 0.03 0.30 -0.21 0.00 0.00 0.00 0.00 178.15 178.26 1upb h ALA 369 N 1.06 1.25 -0.43 1.87 0.00 -0.92 -1.96 119.26 120.13 1upb h ALA 369 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1upb h ALA 369 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1upb h ALA 369 CO -0.01 0.49 -0.08 1.49 0.00 0.00 0.00 179.25 181.15 1upb h GLU 370 N 0.33 0.81 -0.06 0.00 4.81 -0.88 -1.16 114.58 118.44 1upb h GLU 370 Ca 0.06 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1upb h GLU 370 Cb 0.57 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1upb h GLU 370 CO 0.04 0.92 0.03 0.74 -0.73 0.00 0.00 179.01 180.01 1upb h PHE 371 N 0.64 0.08 -0.16 0.92 -1.00 -1.19 -1.88 116.94 114.35 1upb h PHE 371 Ca 0.11 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1upb h PHE 371 Cb 0.60 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1upb h PHE 371 CO 0.05 0.12 0.10 -0.07 -1.61 0.00 0.00 178.31 176.90 1upb h LEU 372 N 0.01 0.18 -0.84 1.54 3.38 -1.18 -2.51 115.31 115.88 1upb h LEU 372 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1upb h LEU 372 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1upb h LEU 372 CO -0.00 0.13 -0.27 0.00 0.09 0.00 0.00 178.44 178.39 1upb n ALA 373 N -2.52 3.11 -1.16 1.53 0.00 -0.45 -4.77 120.51 116.25 1upb n ALA 373 Ca -0.01 -0.51 -0.47 0.00 0.00 0.00 0.00 53.44 52.46 1upb n ALA 373 Cb 0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1upb n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upb n ASP 374 N -0.17 0.52 -0.15 0.00 -0.08 -0.72 -4.80 116.55 111.15 1upb n ASP 374 Ca 0.12 0.45 0.13 0.00 -1.51 0.00 0.00 54.79 53.98 1upb n ASP 374 Cb 0.41 -0.79 0.32 0.00 2.34 0.00 0.00 41.12 43.40 1upb n ASP 374 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1upb n PRO 375 N 6.80 0.51 -1.56 -0.67 -0.04 -1.26 -4.94 135.00 133.84 1upb n PRO 375 Ca 0.51 -0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 1upb n PRO 375 Cb -0.01 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.03 1upb n PRO 375 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1upb n GLU 376 N -0.99 0.84 -4.13 0.54 2.13 -1.26 -5.03 120.64 112.74 1upb n GLU 376 Ca 0.09 0.34 -0.35 0.00 0.66 0.00 0.00 57.16 57.91 1upb n GLU 376 Cb 0.34 -2.41 -0.09 0.00 0.27 0.00 0.00 31.44 29.55 1upb n GLU 376 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1upb s THR 377 N -1.58 4.68 0.05 6.31 2.01 -1.26 -5.04 115.64 120.81 1upb s THR 377 Ca 0.79 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.74 1upb s THR 377 Cb -0.37 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1upb s THR 377 CO 0.44 0.53 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.57 1upb s TYR 378 N -0.24 2.95 0.11 4.92 1.51 -1.26 -5.04 117.35 120.30 1upb s TYR 378 Ca 0.07 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 55.98 1upb s TYR 378 Cb -0.12 -1.57 -0.12 0.00 -0.11 0.00 0.00 41.96 40.04 1upb s TYR 378 CO 0.02 0.44 1.36 1.05 -1.11 0.00 0.00 175.55 177.31 1upb h GLU 379 N 3.91 0.79 0.00 -0.62 9.09 -2.02 -3.41 114.58 122.33 1upb h GLU 379 Ca -0.48 -0.54 0.00 0.00 0.05 0.00 0.00 59.36 58.39 1upb h GLU 379 Cb 1.17 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1upb h GLU 379 CO 0.57 1.16 0.00 -0.40 0.05 0.00 0.00 179.01 180.39 1upb n ASP 380 N -4.06 0.00 -2.11 3.06 5.68 -1.26 -5.07 116.55 112.79 1upb n ASP 380 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1upb n ASP 380 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1upb n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1upb n GLY 381 N 1.51 0.94 3.91 6.12 0.00 -1.26 -5.03 105.19 111.37 1upb n GLY 381 Ca 0.00 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1upb n GLY 381 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upb s MET 382 N 1.12 1.98 0.06 1.61 -1.94 -0.54 -4.40 119.30 117.20 1upb s MET 382 Ca 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.00 1upb s MET 382 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 1upb s MET 382 CO 0.00 -1.54 0.20 1.03 -0.01 0.00 0.00 175.02 174.70 1upb s ARG 383 N -5.51 3.38 0.27 2.03 1.81 -1.26 -2.75 118.95 116.91 1upb s ARG 383 Ca 0.62 -0.47 -0.01 0.00 -1.72 0.00 0.00 55.73 54.14 1upb s ARG 383 Cb -0.11 -3.00 0.36 0.00 -0.45 0.00 0.00 34.95 31.75 1upb s ARG 383 CO 0.48 0.60 1.77 0.28 -0.68 0.00 0.00 175.30 177.76 1upb h VAL 384 N 2.13 1.24 -0.61 3.52 2.07 -1.98 -1.71 116.25 120.90 1upb h VAL 384 Ca -0.45 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1upb h VAL 384 Cb 1.16 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1upb h VAL 384 CO 0.75 0.34 0.40 1.12 0.02 0.00 0.00 177.57 180.20 1upb h HIS 385 N 0.72 0.75 -0.27 1.57 2.07 -1.95 -0.22 115.15 117.82 1upb h HIS 385 Ca 0.14 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.56 1upb h HIS 385 Cb 0.43 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1upb h HIS 385 CO 0.02 0.46 -0.33 1.96 -3.07 0.00 0.00 177.93 176.97 1upb h GLN 386 N 0.80 0.57 -0.25 5.12 4.20 -1.57 -1.21 115.11 122.77 1upb h GLN 386 Ca 0.23 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1upb h GLN 386 Cb -0.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1upb h GLN 386 CO -0.05 0.83 -0.02 0.28 -0.67 0.00 0.00 178.83 179.20 1upb h VAL 387 N 0.49 1.26 -0.37 -0.54 2.07 -0.78 -2.37 116.25 116.01 1upb h VAL 387 Ca 0.06 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1upb h VAL 387 Cb 0.81 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1upb h VAL 387 CO 0.07 0.30 -0.29 0.40 0.02 0.00 0.00 177.57 178.06 1upb h ILE 388 N 0.23 1.28 -0.98 4.57 2.04 -1.01 -1.24 117.51 122.40 1upb h ILE 388 Ca 0.07 -1.46 0.13 0.00 1.00 0.00 0.00 64.86 64.61 1upb h ILE 388 Cb 0.45 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 1upb h ILE 388 CO 0.02 0.48 0.62 -0.78 0.00 0.00 0.00 178.15 178.49 1upb h ASP 389 N 0.65 0.86 -0.43 1.72 3.58 -1.23 0.18 116.42 121.74 1upb h ASP 389 Ca 0.07 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 1upb h ASP 389 Cb 0.87 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1upb h ASP 389 CO 0.08 0.44 -0.30 0.28 -2.88 0.00 0.00 179.24 176.86 1upb h SER 390 N 0.91 1.01 -0.64 2.28 0.02 -0.92 -2.06 113.55 114.15 1upb h SER 390 Ca 0.50 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1upb h SER 390 Cb 0.58 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1upb h SER 390 CO -0.27 1.22 0.10 0.24 -1.14 0.00 0.00 176.83 176.99 1upb h MET 391 N 0.81 1.07 -0.23 3.45 2.86 -0.45 -2.78 114.93 119.66 1upb h MET 391 Ca 0.09 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1upb h MET 391 Cb 0.88 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1upb h MET 391 CO 0.08 0.98 0.14 -0.91 1.06 0.00 0.00 176.91 178.26 1upb h ASN 392 N 1.00 0.28 -0.70 1.22 2.35 -0.50 -0.77 115.58 118.47 1upb h ASN 392 Ca 0.20 -0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1upb h ASN 392 Cb 0.43 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1upb h ASN 392 CO 0.01 0.26 0.41 0.74 -1.65 0.00 0.00 177.43 177.20 1upb h THR 393 N 0.28 1.01 0.10 2.81 2.02 -1.28 -1.03 112.91 116.82 1upb h THR 393 Ca 0.08 -0.26 -0.26 0.00 0.77 0.00 0.00 66.41 66.74 1upb h THR 393 Cb 0.03 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1upb h THR 393 CO -0.01 0.14 -1.17 0.58 0.37 0.00 0.00 175.52 175.42 1upb h VAL 394 N 0.76 1.47 -0.80 3.16 2.07 -1.31 -2.50 116.25 119.10 1upb h VAL 394 Ca 0.30 -2.89 -0.01 0.00 0.82 0.00 0.00 66.70 64.93 1upb h VAL 394 Cb 0.15 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1upb h VAL 394 CO -0.16 0.85 0.45 -0.03 0.02 0.00 0.00 177.57 178.69 1upb h MET 395 N 0.12 1.10 -0.55 1.57 -1.53 -0.96 -0.62 114.93 114.06 1upb h MET 395 Ca -0.12 -0.12 -0.05 0.00 -3.44 0.00 0.00 59.70 55.97 1upb h MET 395 Cb 1.87 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 32.68 1upb h MET 395 CO 0.20 0.80 0.15 1.49 0.14 0.00 0.00 176.91 179.69 1upb h GLU 396 N 1.10 0.84 -0.41 0.39 4.81 -1.13 -1.22 114.58 118.97 1upb h GLU 396 Ca 0.28 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1upb h GLU 396 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1upb h GLU 396 CO -0.05 0.75 -0.22 0.93 -0.73 0.00 0.00 179.01 179.69 1upb h GLU 397 N 0.82 0.87 0.00 1.92 5.08 -1.03 -3.36 114.58 118.87 1upb h GLU 397 Ca 0.18 -0.39 -0.24 0.00 -1.00 0.00 0.00 59.36 57.92 1upb h GLU 397 Cb 0.28 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1upb h GLU 397 CO -0.00 1.03 -1.44 0.00 -1.00 0.00 0.00 179.01 177.60 1upb h ALA 398 N 0.81 0.67 -2.61 3.43 0.00 -0.91 -3.46 119.26 117.19 1upb h ALA 398 Ca 0.09 -1.17 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 1upb h ALA 398 Cb 0.78 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1upb h ALA 398 CO 0.06 1.32 -0.15 0.00 0.00 0.00 0.00 179.25 180.49 1upb s ALA 399 N -2.71 3.63 0.76 0.00 0.00 -0.48 -4.80 121.76 118.15 1upb s ALA 399 Ca -0.03 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1upb s ALA 399 Cb 0.08 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1upb s ALA 399 CO 0.82 0.51 1.21 0.39 0.00 0.00 0.00 175.76 178.68 1upb n GLU 400 N 0.61 0.45 -1.64 0.00 -0.58 -1.26 -4.87 120.64 113.35 1upb n GLU 400 Ca -0.05 0.22 -0.46 0.00 -0.42 0.00 0.00 57.16 56.46 1upb n GLU 400 Cb 0.52 -2.45 -0.03 0.00 -0.57 0.00 0.00 31.44 28.91 1upb n GLU 400 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1upb n PRO 401 N -2.82 1.78 -1.14 3.49 -0.02 -1.26 -1.61 135.00 133.41 1upb n PRO 401 Ca 0.14 0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 1upb n PRO 401 Cb 0.50 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1upb n PRO 401 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upb n GLY 402 N 1.95 0.73 3.50 -1.23 0.00 -1.26 -5.01 105.19 103.88 1upb n GLY 402 Ca 0.12 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1upb n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upb s GLU 403 N -1.96 1.82 0.00 1.61 2.02 -0.64 -4.46 118.70 117.09 1upb s GLU 403 Ca 0.00 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.92 1upb s GLU 403 Cb 0.00 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.41 1upb s GLU 403 CO 0.00 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1upb n GLY 404 N -0.83 0.53 2.80 -1.39 0.00 -1.26 -4.76 105.19 100.29 1upb n GLY 404 Ca -0.05 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 1upb n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upb s THR 405 N -2.78 0.23 -0.21 2.61 2.01 -0.59 -4.62 115.64 112.30 1upb s THR 405 Ca 0.00 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1upb s THR 405 Cb 0.00 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1upb s THR 405 CO 0.00 0.18 0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 1upb s ILE 406 N 1.32 4.34 -0.01 1.82 1.01 -0.30 -1.47 121.20 127.91 1upb s ILE 406 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1upb s ILE 406 Cb -0.13 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1upb s ILE 406 CO -0.02 0.41 0.01 -0.69 0.00 0.00 0.00 174.94 174.65 1upb s VAL 407 N 0.96 4.24 -0.05 2.92 1.01 0.12 -1.03 120.40 128.57 1upb s VAL 407 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1upb s VAL 407 Cb -0.14 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1upb s VAL 407 CO 0.02 0.40 -0.10 -0.55 0.00 0.00 0.00 175.10 174.87 1upb s SER 408 N -1.50 1.53 0.44 3.32 0.15 0.20 -0.50 113.70 117.33 1upb s SER 408 Ca 0.19 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1upb s SER 408 Cb -0.12 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1upb s SER 408 CO 0.10 0.02 0.00 -0.67 1.20 0.00 0.00 173.24 173.89 1upb n ASP 409 N 3.78 -0.20 -4.55 5.45 -0.08 -0.71 -4.44 116.55 115.79 1upb n ASP 409 Ca -0.23 -0.34 -0.33 0.00 -1.51 0.00 0.00 54.79 52.38 1upb n ASP 409 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 1upb n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upb s ILE 410 N -0.44 3.46 -5.00 5.18 -1.09 -1.26 -4.61 121.20 117.43 1upb s ILE 410 Ca 0.00 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1upb s ILE 410 Cb 0.00 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 1upb s ILE 410 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1upb n GLY 411 N 2.07 -2.61 0.37 6.18 0.00 -1.26 -4.61 105.19 105.33 1upb n GLY 411 Ca -0.17 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.51 1upb n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upb h PHE 412 N 0.00 1.13 -0.05 1.61 3.57 -1.93 -1.88 116.94 119.39 1upb h PHE 412 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1upb h PHE 412 Cb 0.00 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 1upb h PHE 412 CO 0.00 0.69 0.04 0.27 -2.23 0.00 0.00 178.31 177.08 1upb h PHE 413 N 1.20 0.00 -0.92 0.41 -5.15 -1.96 -2.24 116.94 108.28 1upb h PHE 413 Ca 0.34 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 58.15 1upb h PHE 413 Cb -0.09 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.02 1upb h PHE 413 CO -0.00 0.00 0.61 -0.09 -2.00 0.00 0.00 178.31 176.83 1upb h ARG 414 N 0.00 1.12 0.00 6.09 1.12 -1.59 -1.83 114.38 119.29 1upb h ARG 414 Ca 0.02 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 1upb h ARG 414 Cb 0.09 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 29.80 1upb h ARG 414 CO -0.00 0.74 -0.15 0.45 -3.11 0.00 0.00 179.97 177.90 1upb h HIS 415 N 1.16 0.00 -0.57 2.20 3.86 -1.52 -0.50 115.15 119.77 1upb h HIS 415 Ca 0.37 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.50 1upb h HIS 415 Cb 0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1upb h HIS 415 CO -0.00 0.15 0.04 1.88 0.86 0.00 0.00 177.93 180.86 1upb h TYR 416 N 0.00 1.07 -0.69 2.45 -1.99 -1.42 -2.68 116.97 113.71 1upb h TYR 416 Ca -0.00 -0.17 0.07 0.00 2.00 0.00 0.00 58.73 60.63 1upb h TYR 416 Cb 0.81 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 39.19 1upb h TYR 416 CO 0.00 0.95 0.38 0.78 -0.00 0.00 0.00 178.16 180.26 1upb h GLY 417 N 0.88 1.03 1.01 3.88 0.00 -0.39 0.22 103.07 109.69 1upb h GLY 417 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1upb h GLY 417 CO 0.02 0.13 0.54 -2.08 0.00 0.00 0.00 176.54 175.15 1upb h VAL 418 N 0.68 1.21 0.05 4.60 2.07 -1.06 -1.15 116.25 122.65 1upb h VAL 418 Ca 0.32 -0.40 -0.27 0.00 0.82 0.00 0.00 66.70 67.18 1upb h VAL 418 Cb 0.24 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1upb h VAL 418 CO -0.21 0.21 -1.10 -0.07 0.02 0.00 0.00 177.57 176.42 1upb h LEU 419 N 1.11 0.78 0.00 2.57 3.38 -1.12 -3.42 115.31 118.60 1upb h LEU 419 Ca 0.30 -0.66 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1upb h LEU 419 Cb -0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1upb h LEU 419 CO -0.06 1.47 -1.42 0.49 0.09 0.00 0.00 178.44 179.01 1upb n PHE 420 N -3.78 0.00 -1.92 1.13 3.72 0.73 -4.94 117.46 112.39 1upb n PHE 420 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1upb n PHE 420 Cb 0.91 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1upb n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upb s ALA 421 N -2.17 3.78 0.20 4.37 0.00 -0.44 -4.87 121.76 122.62 1upb s ALA 421 Ca -0.03 1.39 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1upb s ALA 421 Cb 0.02 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 1upb s ALA 421 CO 0.26 -0.79 1.58 0.50 0.00 0.00 0.00 175.76 177.30 1upb s ARG 422 N 0.95 4.20 -0.16 0.00 3.52 -1.26 -4.97 118.95 121.23 1upb s ARG 422 Ca 0.69 2.41 -0.04 0.00 -0.13 0.00 0.00 55.73 58.67 1upb s ARG 422 Cb -0.44 -3.12 0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1upb s ARG 422 CO 0.33 -0.61 0.07 0.00 -0.81 0.00 0.00 175.30 174.28 1upb s ALA 423 N 0.88 0.58 -0.43 6.12 0.00 -1.26 -4.58 121.76 123.06 1upb s ALA 423 Ca 0.69 -0.35 0.15 0.00 0.00 0.00 0.00 51.96 52.44 1upb s ALA 423 Cb -0.45 -1.01 0.45 0.00 0.00 0.00 0.00 23.12 22.11 1upb s ALA 423 CO 0.35 -1.06 1.36 -3.47 0.00 0.00 0.00 175.76 172.94 1upb n ASP 424 N 5.21 3.54 -3.63 0.00 2.03 -1.26 -3.97 116.55 118.47 1upb n ASP 424 Ca -0.07 -2.67 -0.08 0.00 0.52 0.00 0.00 54.79 52.49 1upb n ASP 424 Cb 0.49 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 40.43 1upb n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upb s GLN 425 N -2.20 1.29 0.34 -0.67 -2.07 -1.24 -4.16 119.66 110.95 1upb s GLN 425 Ca 0.35 -0.61 -0.29 0.00 -1.82 0.00 0.00 55.36 52.99 1upb s GLN 425 Cb 0.26 0.51 -0.11 0.00 -1.09 0.00 0.00 33.01 32.58 1upb s GLN 425 CO 0.11 -0.58 1.52 -2.30 -1.32 0.00 0.00 175.29 172.72 1upb n PRO 426 N -0.39 2.63 -1.60 9.60 -0.02 -1.03 -1.26 135.00 142.93 1upb n PRO 426 Ca -0.09 0.93 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 1upb n PRO 426 Cb 0.62 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1upb n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upb n PHE 427 N 1.18 -0.05 0.27 6.00 3.72 -1.21 -4.85 117.46 122.53 1upb n PHE 427 Ca 0.05 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.61 1upb n PHE 427 Cb 0.38 -3.27 0.66 0.00 -0.94 0.00 0.00 39.48 36.31 1upb n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upb h GLY 428 N 0.00 0.00 -6.11 1.37 0.00 -1.34 -3.39 103.07 93.60 1upb h GLY 428 Ca -0.40 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.31 1upb h GLY 428 CO 0.57 0.00 -0.84 -0.12 0.00 0.00 0.00 176.54 176.15 1upb s PHE 429 N -3.69 2.30 -0.13 5.60 5.36 -1.26 -1.15 117.98 125.00 1upb s PHE 429 Ca 0.01 -1.24 0.02 0.00 -0.96 0.00 0.00 56.93 54.75 1upb s PHE 429 Cb 0.09 -1.64 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 1upb s PHE 429 CO 0.56 -0.64 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.32 1upb s LEU 430 N 1.24 1.93 0.26 6.12 2.96 -0.19 -4.51 118.68 126.48 1upb s LEU 430 Ca 0.00 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1upb s LEU 430 Cb -0.14 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1upb s LEU 430 CO -0.08 0.03 0.59 0.28 -1.32 0.00 0.00 176.35 175.86 1upb s THR 431 N 1.00 0.00 -0.45 3.68 -1.32 -1.26 -0.63 115.64 116.65 1upb s THR 431 Ca -0.04 -1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 59.04 1upb s THR 431 Cb -0.15 -2.12 0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1upb s THR 431 CO -0.04 0.00 0.53 -0.55 -2.21 0.00 0.00 174.62 172.35 1upb s SER 432 N -2.97 6.22 -0.08 8.08 0.15 -1.26 -4.85 113.70 118.99 1upb s SER 432 Ca 0.17 -0.74 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 1upb s SER 432 Cb -0.03 -2.26 -0.27 0.00 -1.71 0.00 0.00 66.02 61.75 1upb s SER 432 CO 0.08 -0.71 0.55 0.00 1.20 0.00 0.00 173.24 174.35 1upb h ALA 433 N 8.84 0.40 0.03 5.45 0.00 -1.91 -3.18 119.26 128.89 1upb h ALA 433 Ca -0.27 -1.31 -0.10 0.00 0.00 0.00 0.00 54.91 53.24 1upb h ALA 433 Cb 1.10 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1upb h ALA 433 CO 0.87 1.27 -0.50 0.78 0.00 0.00 0.00 179.25 181.67 1upb h GLY 434 N 1.44 0.07 0.10 0.00 0.00 -1.71 -3.42 103.07 99.55 1upb h GLY 434 Ca -0.36 -0.18 -0.38 0.00 0.00 0.00 0.00 47.33 46.41 1upb h GLY 434 CO 0.12 0.16 -2.17 0.00 0.00 0.00 0.00 176.54 174.64 1upb n SER 436 N -3.89 -2.72 -4.72 0.00 7.64 -1.20 -4.97 113.62 103.76 1upb n SER 436 Ca -0.44 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 1upb n SER 436 Cb 0.90 -4.30 -0.03 0.00 -1.01 0.00 0.00 64.21 59.77 1upb n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upb s SER 437 N -4.01 7.15 0.76 6.43 0.15 -1.26 -4.93 113.70 117.99 1upb s SER 437 Ca 0.22 2.04 -0.14 0.00 0.70 0.00 0.00 55.95 58.77 1upb s SER 437 Cb -0.11 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1upb s SER 437 CO 0.79 -0.38 1.18 0.72 1.20 0.00 0.00 173.24 176.76 1upb s PHE 438 N 0.58 2.04 0.00 3.44 -0.71 -1.26 -2.87 117.98 119.20 1upb s PHE 438 Ca 0.55 1.63 0.00 0.00 -1.04 0.00 0.00 56.93 58.07 1upb s PHE 438 Cb -0.29 -3.40 0.00 0.00 -1.21 0.00 0.00 43.02 38.11 1upb s PHE 438 CO 0.32 -2.54 0.00 0.41 -1.34 0.00 0.00 175.22 172.07 1upb n GLY 439 N 0.20 1.00 0.25 1.99 0.00 -1.07 -4.91 105.19 102.66 1upb n GLY 439 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1upb n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upb h TYR 440 N 0.00 0.01 0.16 1.61 3.20 -1.83 -3.34 116.97 116.78 1upb h TYR 440 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1upb h TYR 440 Cb 0.00 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1upb h TYR 440 CO 0.00 0.05 -0.30 0.78 -1.64 0.00 0.00 178.16 177.05 1upb h GLY 441 N 0.14 -0.60 0.91 1.82 0.00 -1.88 -1.42 103.07 102.05 1upb h GLY 441 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1upb h GLY 441 CO 0.00 -0.25 -0.08 -2.22 0.00 0.00 0.00 176.54 174.00 1upb h ILE 442 N -0.55 0.87 -0.48 2.60 2.04 -1.92 -0.39 117.51 119.69 1upb h ILE 442 Ca 0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1upb h ILE 442 Cb 0.56 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1upb h ILE 442 CO -0.15 0.05 0.22 1.55 0.00 0.00 0.00 178.15 179.81 1upb h PRO 443 N -0.33 0.67 -0.58 2.37 0.13 -1.77 -0.45 132.00 132.05 1upb h PRO 443 Ca -0.02 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 1upb h PRO 443 Cb 0.26 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1upb h PRO 443 CO 0.04 0.53 0.11 0.00 -0.23 0.00 0.00 178.00 178.45 1upb h ALA 444 N 1.57 0.77 -0.38 -0.56 0.00 -1.00 -0.76 119.26 118.90 1upb h ALA 444 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1upb h ALA 444 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1upb h ALA 444 CO -0.02 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.55 1upb h ALA 445 N 1.01 0.96 0.22 0.00 0.00 -0.78 0.13 119.26 120.80 1upb h ALA 445 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1upb h ALA 445 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upb h ALA 445 CO 0.01 0.61 -0.11 0.82 0.00 0.00 0.00 179.25 180.58 1upb h ILE 446 N 0.64 0.77 -0.31 0.00 2.04 -0.79 -0.97 117.51 118.90 1upb h ILE 446 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1upb h ILE 446 Cb 0.67 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1upb h ILE 446 CO 0.05 0.00 0.19 1.23 0.00 0.00 0.00 178.15 179.62 1upb h GLY 447 N -0.30 0.43 0.84 5.37 0.00 -0.98 -1.88 103.07 106.54 1upb h GLY 447 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1upb h GLY 447 CO 0.04 0.14 0.42 0.00 0.00 0.00 0.00 176.54 177.15 1upb h ALA 448 N 1.12 0.90 -0.20 3.60 0.00 -0.68 -0.39 119.26 123.62 1upb h ALA 448 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1upb h ALA 448 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1upb h ALA 448 CO -0.04 0.17 -0.52 0.37 0.00 0.00 0.00 179.25 179.23 1upb h GLN 449 N 0.81 0.57 -0.08 0.00 5.75 -1.01 -1.04 115.11 120.11 1upb h GLN 449 Ca 0.28 -0.35 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 1upb h GLN 449 Cb 0.05 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1upb h GLN 449 CO -0.12 0.95 -0.46 0.52 -2.65 0.00 0.00 178.83 177.07 1upb h MET 450 N 0.44 0.19 0.00 1.69 2.86 -1.13 -2.46 114.93 116.52 1upb h MET 450 Ca 0.01 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.40 1upb h MET 450 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1upb h MET 450 CO 0.10 0.62 -0.75 0.00 1.06 0.00 0.00 176.91 177.94 1upb h ALA 451 N 1.37 0.76 -2.11 6.32 0.00 -0.77 -3.35 119.26 121.48 1upb h ALA 451 Ca 0.01 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 1upb h ALA 451 Cb 0.88 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 18.14 1upb h ALA 451 CO 0.07 0.94 -0.82 0.54 0.00 0.00 0.00 179.25 179.97 1upb n ARG 452 N -3.64 1.78 0.14 0.00 1.74 -0.42 -4.97 116.66 111.28 1upb n ARG 452 Ca -0.01 -4.06 0.18 0.00 -0.77 0.00 0.00 57.85 53.19 1upb n ARG 452 Cb 0.73 -1.82 0.77 0.00 -1.02 0.00 0.00 32.46 31.12 1upb n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upb h PRO 453 N 4.01 0.00 -0.34 5.56 0.13 -1.59 -1.93 132.00 137.84 1upb h PRO 453 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1upb h PRO 453 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1upb h PRO 453 CO 0.67 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 1upb n ASP 454 N -4.00 3.51 -4.75 1.44 8.00 -1.26 -4.98 116.55 114.51 1upb n ASP 454 Ca 0.04 -2.46 -0.33 0.00 0.71 0.00 0.00 54.79 52.75 1upb n ASP 454 Cb 0.41 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 1upb n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upb s GLN 455 N -1.84 2.96 0.32 -1.24 -0.21 -0.73 -5.00 119.66 113.92 1upb s GLN 455 Ca 0.34 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.90 1upb s GLN 455 Cb 0.23 -2.79 -0.11 0.00 1.00 0.00 0.00 33.01 31.35 1upb s GLN 455 CO 0.14 0.64 1.43 -2.14 -2.12 0.00 0.00 175.29 173.24 1upb s PRO 456 N -1.67 4.23 -0.21 2.91 0.02 -1.26 -4.91 135.00 134.11 1upb s PRO 456 Ca 0.22 2.39 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 1upb s PRO 456 Cb -0.12 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.41 1upb s PRO 456 CO 0.13 -0.41 -0.03 0.99 -0.33 0.00 0.00 177.00 177.35 1upb s THR 457 N -0.67 1.17 -0.01 0.99 2.01 -1.26 -1.55 115.64 116.33 1upb s THR 457 Ca 0.55 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1upb s THR 457 Cb -0.43 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1upb s THR 457 CO 0.52 -0.08 0.00 -0.36 -0.69 0.00 0.00 174.62 174.02 1upb s PHE 458 N 1.57 3.08 -0.03 4.92 0.40 -0.54 -1.72 117.98 125.66 1upb s PHE 458 Ca -0.03 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.44 1upb s PHE 458 Cb -0.18 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1upb s PHE 458 CO -0.07 0.46 -0.19 -1.17 0.70 0.00 0.00 175.22 174.95 1upb s LEU 459 N -1.50 1.99 -0.06 -0.37 2.96 0.99 0.15 118.68 122.84 1upb s LEU 459 Ca 0.19 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1upb s LEU 459 Cb -0.11 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1upb s LEU 459 CO 0.10 0.21 -0.23 -0.51 -1.32 0.00 0.00 176.35 174.59 1upb s ILE 460 N -0.23 2.21 -0.02 6.68 2.07 0.34 -0.22 121.20 132.02 1upb s ILE 460 Ca 0.02 -1.01 -0.11 0.00 -1.41 0.00 0.00 60.65 58.14 1upb s ILE 460 Cb -0.10 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.69 1upb s ILE 460 CO 0.01 0.57 0.23 0.00 -1.91 0.00 0.00 174.94 173.84 1upb s ALA 461 N -0.17 -0.56 0.63 1.50 0.00 -0.53 -1.74 121.76 120.89 1upb s ALA 461 Ca -0.03 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 1upb s ALA 461 Cb -0.14 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1upb s ALA 461 CO 0.04 -0.21 0.97 0.20 0.00 0.00 0.00 175.76 176.76 1upb s GLY 462 N -1.07 1.61 0.22 0.00 0.00 -1.26 -0.57 107.32 106.25 1upb s GLY 462 Ca -0.11 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 1upb s GLY 462 CO 0.02 -0.23 1.78 1.29 0.00 0.00 0.00 173.10 175.96 1upb h ASP 463 N -0.34 1.08 0.77 1.64 2.03 -1.78 -0.70 116.42 119.12 1upb h ASP 463 Ca -0.45 -0.18 -0.03 0.00 -0.73 0.00 0.00 57.03 55.64 1upb h ASP 463 Cb 1.25 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1upb h ASP 463 CO 0.62 0.97 -0.47 1.23 -1.03 0.00 0.00 179.24 180.56 1upb h GLY 464 N 1.15 -1.31 1.11 7.15 0.00 -1.90 -2.41 103.07 106.86 1upb h GLY 464 Ca 0.26 0.53 -0.14 0.00 0.00 0.00 0.00 47.33 47.97 1upb h GLY 464 CO -0.02 -0.44 -0.30 -1.33 0.00 0.00 0.00 176.54 174.45 1upb h GLY 465 N -1.16 1.05 0.96 4.60 0.00 -1.81 -2.62 103.07 104.08 1upb h GLY 465 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 47.33 46.24 1upb h GLY 465 CO 0.11 0.90 0.34 -2.75 0.00 0.00 0.00 176.54 175.14 1upb h PHE 466 N 0.80 0.64 0.00 5.60 3.57 -1.16 -2.14 116.94 124.25 1upb h PHE 466 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1upb h PHE 466 Cb 0.88 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1upb h PHE 466 CO 0.06 0.39 -0.08 1.25 -2.23 0.00 0.00 178.31 177.70 1upb h HIS 467 N 0.69 0.00 0.00 0.41 2.76 -1.41 -0.31 115.15 117.29 1upb h HIS 467 Ca 0.20 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1upb h HIS 467 Cb -0.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1upb h HIS 467 CO -0.05 0.08 -0.02 0.66 -1.30 0.00 0.00 177.93 177.30 1upb h SER 468 N 0.00 0.00 -0.05 3.26 4.64 -1.00 -3.22 113.55 117.18 1upb h SER 468 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1upb h SER 468 Cb 0.72 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.44 1upb h SER 468 CO 0.01 0.02 -1.00 -3.20 -0.87 0.00 0.00 176.83 171.79 1upb n ASN 469 N -3.64 0.94 0.24 4.97 5.15 -0.96 -4.93 115.26 117.04 1upb n ASN 469 Ca -0.03 -2.00 0.16 0.00 -0.60 0.00 0.00 54.58 52.11 1upb n ASN 469 Cb 0.12 -0.28 0.59 0.00 -0.53 0.00 0.00 39.78 39.67 1upb n ASN 469 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1upb h SER 470 N 1.15 0.00 0.65 1.20 4.64 -1.08 -3.23 113.55 116.88 1upb h SER 470 Ca -0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1upb h SER 470 Cb 1.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1upb h SER 470 CO 0.09 0.00 -0.04 0.28 -0.87 0.00 0.00 176.83 176.28 1upb h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -1.76 113.55 114.91 1upb h SER 471 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upb h SER 471 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1upb h SER 471 CO 0.00 0.04 0.00 0.47 -1.14 0.00 0.00 176.83 176.20 1upb n ASP 472 N -3.21 0.00 -0.32 3.07 8.00 -1.22 -2.48 116.55 120.39 1upb n ASP 472 Ca -0.01 -1.35 0.11 0.00 0.71 0.00 0.00 54.79 54.26 1upb n ASP 472 Cb 0.25 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.68 1upb n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upb h LEU 473 N 0.00 0.75 -1.04 0.64 3.38 -1.58 -2.07 115.31 115.38 1upb h LEU 473 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1upb h LEU 473 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1upb h LEU 473 CO 0.00 0.35 0.13 -0.08 0.09 0.00 0.00 178.44 178.93 1upb h GLU 474 N 0.78 0.81 -0.68 1.13 4.22 -1.69 -1.55 114.58 117.61 1upb h GLU 474 Ca 0.50 -0.16 -0.03 0.00 0.08 0.00 0.00 59.36 59.74 1upb h GLU 474 Cb 0.74 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1upb h GLU 474 CO -0.26 0.74 0.29 1.15 -2.18 0.00 0.00 179.01 178.74 1upb h THR 475 N 0.79 1.24 -0.79 0.32 2.02 -1.60 -0.30 112.91 114.57 1upb h THR 475 Ca 0.17 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1upb h THR 475 Cb 0.29 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1upb h THR 475 CO -0.00 0.29 0.53 0.40 0.37 0.00 0.00 175.52 177.10 1upb h ILE 476 N 0.95 1.20 -0.60 3.11 2.04 -0.93 -1.35 117.51 121.93 1upb h ILE 476 Ca 0.23 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1upb h ILE 476 Cb 0.17 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1upb h ILE 476 CO -0.02 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.53 1upb h ALA 477 N 1.29 0.78 -0.24 1.87 0.00 -0.96 -1.65 119.26 120.35 1upb h ALA 477 Ca 0.29 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 477 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1upb h ALA 477 CO -0.06 0.44 -0.60 -0.09 0.00 0.00 0.00 179.25 178.94 1upb h ARG 478 N 0.84 0.78 -0.00 0.00 2.43 -0.81 -2.69 114.38 114.93 1upb h ARG 478 Ca 0.19 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1upb h ARG 478 Cb 0.27 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1upb h ARG 478 CO -0.01 1.15 -0.14 1.28 -1.51 0.00 0.00 179.97 180.74 1upb n LEU 479 N -3.98 0.36 -3.94 3.80 4.77 -0.53 -4.95 117.00 112.53 1upb n LEU 479 Ca -0.05 0.12 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 1upb n LEU 479 Cb 0.65 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1upb n LEU 479 CO 0.50 0.07 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.30 1upb n ASN 480 N -1.16 -1.46 -4.62 -1.43 5.15 -0.66 -4.95 115.26 106.13 1upb n ASN 480 Ca 0.12 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.73 1upb n ASN 480 Cb 0.30 -3.30 -0.04 0.00 -0.53 0.00 0.00 39.78 36.21 1upb n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upb s LEU 481 N -7.00 4.02 -0.47 1.20 1.43 -0.99 -4.85 118.68 112.03 1upb s LEU 481 Ca 0.20 0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1upb s LEU 481 Cb -0.10 -3.28 -0.19 0.00 0.03 0.00 0.00 46.19 42.65 1upb s LEU 481 CO 0.87 -0.75 3.10 -0.81 0.23 0.00 0.00 176.35 178.99 1upb n PRO 482 N 6.53 2.27 -2.57 1.29 -0.04 -1.26 -3.72 135.00 137.49 1upb n PRO 482 Ca 0.07 -1.25 -0.41 0.00 -0.04 0.00 0.00 63.50 61.87 1upb n PRO 482 Cb 0.48 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1upb n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upb s ILE 483 N 1.64 3.95 -0.24 0.52 1.01 -1.26 -4.64 121.20 122.19 1upb s ILE 483 Ca 0.60 1.73 -0.09 0.00 0.00 0.00 0.00 60.65 62.90 1upb s ILE 483 Cb 0.24 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1upb s ILE 483 CO -0.02 0.32 0.11 -0.69 0.00 0.00 0.00 174.94 174.66 1upb s VAL 484 N -0.42 4.80 -0.12 2.92 1.01 -0.70 -2.07 120.40 125.82 1upb s VAL 484 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1upb s VAL 484 Cb -0.28 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1upb s VAL 484 CO 0.34 0.35 -0.13 -0.89 0.00 0.00 0.00 175.10 174.78 1upb s THR 485 N 1.27 3.11 -0.22 3.92 2.01 -0.45 -0.01 115.64 125.27 1upb s THR 485 Ca 0.06 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 1upb s THR 485 Cb -0.14 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.07 1upb s THR 485 CO 0.05 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 1upb s VAL 486 N 0.23 3.04 -0.36 3.82 1.01 0.70 -0.13 120.40 128.70 1upb s VAL 486 Ca -0.08 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1upb s VAL 486 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1upb s VAL 486 CO 0.05 0.36 0.24 -0.69 0.00 0.00 0.00 175.10 175.07 1upb s VAL 487 N 1.40 5.10 -0.43 2.92 1.01 0.44 -1.45 120.40 129.40 1upb s VAL 487 Ca 0.04 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 1upb s VAL 487 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1upb s VAL 487 CO -0.05 -0.12 0.72 0.68 0.00 0.00 0.00 175.10 176.33 1upb s VAL 488 N 1.67 4.74 -0.25 2.92 -7.23 0.27 -1.23 120.40 121.29 1upb s VAL 488 Ca 0.05 0.39 -0.05 0.00 -1.81 0.00 0.00 61.98 60.56 1upb s VAL 488 Cb -0.18 -4.25 -0.01 0.00 0.56 0.00 0.00 36.38 32.51 1upb s VAL 488 CO 0.09 -0.61 0.01 0.21 -0.31 0.00 0.00 175.10 174.50 1upb s ASN 489 N 2.03 4.71 -0.10 4.85 3.84 -0.34 -2.52 114.94 127.41 1upb s ASN 489 Ca 0.27 -0.47 0.14 0.00 0.21 0.00 0.00 52.86 53.01 1upb s ASN 489 Cb -0.13 -1.81 0.22 0.00 -0.55 0.00 0.00 41.25 38.98 1upb s ASN 489 CO 0.20 -0.08 1.11 -0.46 -2.79 0.00 0.00 177.10 175.09 1upb n ASN 490 N 4.83 1.76 -3.24 -4.21 6.94 -1.26 -1.43 115.26 118.65 1upb n ASN 490 Ca -0.17 -2.83 -0.23 0.00 -0.02 0.00 0.00 54.58 51.34 1upb n ASN 490 Cb 0.50 -0.37 0.01 0.00 -2.36 0.00 0.00 39.78 37.56 1upb n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upb n ASP 491 N -1.08 -4.62 -3.71 0.53 8.00 -1.26 -4.94 116.55 109.48 1upb n ASP 491 Ca 0.12 -0.36 -0.14 0.00 0.71 0.00 0.00 54.79 55.12 1upb n ASP 491 Cb 0.66 -3.78 -0.09 0.00 -0.02 0.00 0.00 41.12 37.89 1upb n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upb s THR 492 N -3.03 0.03 -1.23 -3.53 2.01 -1.26 -1.30 115.64 107.33 1upb s THR 492 Ca 0.37 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.95 1upb s THR 492 Cb -0.18 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.69 1upb s THR 492 CO 0.45 -0.12 1.71 0.20 -0.69 0.00 0.00 174.62 176.17 1upb s ASN 493 N -0.75 6.58 0.22 3.53 0.01 -0.45 -4.27 114.94 119.80 1upb s ASN 493 Ca -0.08 -2.15 -0.07 0.00 -0.71 0.00 0.00 52.86 49.85 1upb s ASN 493 Cb -0.04 -2.58 0.19 0.00 0.41 0.00 0.00 41.25 39.24 1upb s ASN 493 CO 0.04 -1.44 1.77 1.23 -1.51 0.00 0.00 177.10 177.18 1upb h GLY 494 N 13.20 1.19 0.49 0.66 0.00 -1.96 -1.59 103.07 115.06 1upb h GLY 494 Ca 0.37 -0.69 0.12 0.00 0.00 0.00 0.00 47.33 47.13 1upb h GLY 494 CO 1.43 0.65 0.63 -2.00 0.00 0.00 0.00 176.54 177.25 1upb h LEU 495 N 1.07 0.92 -0.30 3.11 6.46 -1.92 -1.39 115.31 123.25 1upb h LEU 495 Ca 0.23 0.05 -0.20 0.00 -0.12 0.00 0.00 57.88 57.84 1upb h LEU 495 Cb 0.29 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1upb h LEU 495 CO -0.01 0.49 -0.79 0.40 -0.62 0.00 0.00 178.44 177.92 1upb h ILE 496 N 0.99 1.36 -0.91 4.05 1.08 -1.72 -2.21 117.51 120.15 1upb h ILE 496 Ca 0.49 -2.17 0.03 0.00 -0.39 0.00 0.00 64.86 62.82 1upb h ILE 496 Cb 0.48 2.15 -0.05 0.00 -3.07 0.00 0.00 36.82 36.34 1upb h ILE 496 CO -0.26 0.66 0.60 -0.08 -0.69 0.00 0.00 178.15 178.38 1upb h GLU 497 N 0.32 1.14 0.07 2.37 4.81 -0.86 -0.65 114.58 121.78 1upb h GLU 497 Ca -0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1upb h GLU 497 Cb 1.39 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1upb h GLU 497 CO 0.14 0.76 -0.07 1.25 -0.73 0.00 0.00 179.01 180.36 1upb h LEU 498 N 1.18 -0.19 -1.29 1.64 6.46 -0.95 -2.25 115.31 119.91 1upb h LEU 498 Ca 0.35 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 58.08 1upb h LEU 498 Cb -0.04 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1upb h LEU 498 CO -0.10 -0.11 -0.12 1.88 -0.62 0.00 0.00 178.44 179.38 1upb h TYR 499 N -0.16 0.36 -0.36 1.25 0.05 -0.98 0.62 116.97 117.76 1upb h TYR 499 Ca 0.01 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.78 1upb h TYR 499 Cb 0.15 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1upb h TYR 499 CO -0.11 0.46 0.14 1.96 -1.05 0.00 0.00 178.16 179.56 1upb h GLN 500 N 0.32 0.28 -0.23 4.88 4.20 -0.90 -1.90 115.11 121.77 1upb h GLN 500 Ca 0.06 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1upb h GLN 500 Cb 0.41 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1upb h GLN 500 CO 0.02 0.19 -0.55 -0.91 -0.67 0.00 0.00 178.83 176.91 1upb h ASN 501 N 0.29 0.77 -0.48 1.46 2.35 -0.74 0.62 115.58 119.85 1upb h ASN 501 Ca 0.16 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1upb h ASN 501 Cb 0.12 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 1upb h ASN 501 CO -0.15 1.16 0.17 0.40 -1.65 0.00 0.00 177.43 177.36 1upb h ILE 502 N 0.53 0.85 0.05 2.81 2.04 -0.80 -0.15 117.51 122.84 1upb h ILE 502 Ca 0.01 -0.12 -0.28 0.00 1.00 0.00 0.00 64.86 65.47 1upb h ILE 502 Cb 1.12 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1upb h ILE 502 CO 0.11 0.06 -1.44 1.23 0.00 0.00 0.00 178.15 178.11 1upb h GLY 503 N 0.35 0.13 0.00 5.37 0.00 -1.22 -3.41 103.07 104.29 1upb h GLY 503 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1upb h GLY 503 CO -0.23 0.29 0.00 1.42 0.00 0.00 0.00 176.54 178.02 1upb n HIS 504 N -3.31 0.00 -2.14 5.60 8.25 0.20 -5.02 115.22 118.79 1upb n HIS 504 Ca -0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.18 1upb n HIS 504 Cb 1.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.11 1upb n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upb n HIS 505 N -0.52 -0.61 -3.61 4.41 -0.00 -0.07 -4.96 115.22 109.85 1upb n HIS 505 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1upb n HIS 505 Cb 0.02 -3.17 -0.02 0.00 -0.00 0.00 0.00 29.99 26.83 1upb n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upb s ARG 506 N -4.51 0.80 0.52 -0.41 1.70 -1.26 -4.98 118.95 110.80 1upb s ARG 506 Ca 0.00 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 54.87 1upb s ARG 506 Cb 0.00 0.31 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1upb s ARG 506 CO 0.00 -0.36 0.78 -1.12 -1.08 0.00 0.00 175.30 173.52 1upb s SER 507 N -2.65 5.68 -0.21 -2.89 0.01 -1.26 -3.64 113.70 108.74 1upb s SER 507 Ca 0.09 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.75 1upb s SER 507 Cb -0.00 -1.55 0.08 0.00 0.21 0.00 0.00 66.02 64.76 1upb s SER 507 CO -0.04 -0.89 0.13 -2.28 0.41 0.00 0.00 173.24 170.57 1upb s HIS 508 N -2.76 0.10 0.24 2.43 2.46 -1.26 -5.07 115.29 111.43 1upb s HIS 508 Ca 0.51 -0.32 -0.05 0.00 0.47 0.00 0.00 55.06 55.67 1upb s HIS 508 Cb -0.10 -0.66 0.25 0.00 -0.13 0.00 0.00 32.58 31.94 1upb s HIS 508 CO 0.41 -0.62 1.78 -0.44 -2.47 0.00 0.00 174.74 173.41 1upb h ASP 509 N 8.39 0.96 -0.53 9.88 3.32 -1.98 -2.74 116.42 133.72 1upb h ASP 509 Ca -0.16 -0.17 0.15 0.00 0.02 0.00 0.00 57.03 56.87 1upb h ASP 509 Cb 1.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1upb h ASP 509 CO 0.32 0.90 0.51 -0.65 -1.72 0.00 0.00 179.24 178.61 1upb h PRO 510 N 0.99 0.00 0.00 3.56 0.11 -1.98 0.14 132.00 134.83 1upb h PRO 510 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1upb h PRO 510 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1upb h PRO 510 CO -0.01 0.00 -0.66 0.00 -0.21 0.00 0.00 178.00 177.12 1upb n ALA 511 N -2.41 3.58 0.00 -0.75 0.00 -1.03 -4.65 120.51 115.24 1upb n ALA 511 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1upb n ALA 511 Cb 0.72 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1upb n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upb n VAL 512 N -1.66 0.00 -3.77 0.00 0.24 -0.49 -4.98 118.33 107.67 1upb n VAL 512 Ca 0.04 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1upb n VAL 512 Cb 0.37 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 1upb n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upb s LYS 513 N -0.29 3.67 0.34 7.34 -0.14 0.38 -1.35 119.74 129.70 1upb s LYS 513 Ca 0.00 -0.02 0.08 0.00 -1.36 0.00 0.00 55.97 54.67 1upb s LYS 513 Cb 0.00 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 1upb s LYS 513 CO 0.00 0.67 0.22 -0.06 -0.76 0.00 0.00 175.35 175.42 1upb s PHE 514 N -0.78 2.80 0.00 3.18 0.08 -0.42 -4.88 117.98 117.96 1upb s PHE 514 Ca 0.16 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1upb s PHE 514 Cb -0.13 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 1upb s PHE 514 CO 0.05 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 1upb n GLY 515 N -1.27 -0.28 3.75 4.36 0.00 -1.26 -4.82 105.19 105.68 1upb n GLY 515 Ca -0.02 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1upb n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upb s GLY 516 N -2.27 2.80 -0.10 -0.02 0.00 -1.26 -4.89 107.32 101.58 1upb s GLY 516 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.04 1upb s GLY 516 CO 0.00 1.07 -0.18 0.14 0.00 0.00 0.00 173.10 174.13 1upb s VAL 517 N -0.16 1.67 -0.72 1.40 1.01 -1.26 -5.08 120.40 117.26 1upb s VAL 517 Ca 0.38 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1upb s VAL 517 Cb -0.21 -1.49 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1upb s VAL 517 CO 0.23 0.47 0.93 -0.62 0.00 0.00 0.00 175.10 176.12 1upb s ASP 518 N 0.67 6.31 0.38 3.32 -1.08 -1.26 -4.90 116.67 120.11 1upb s ASP 518 Ca -0.13 -1.45 0.16 0.00 -0.52 0.00 0.00 52.55 50.61 1upb s ASP 518 Cb -0.16 -2.37 0.75 0.00 -1.46 0.00 0.00 42.92 39.67 1upb s ASP 518 CO 0.03 -1.22 1.80 -0.26 0.52 0.00 0.00 175.17 176.04 1upb h PHE 519 N 9.21 0.00 0.70 -5.34 0.04 -1.98 -0.45 116.94 119.12 1upb h PHE 519 Ca -0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 1upb h PHE 519 Cb 1.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.22 1upb h PHE 519 CO 0.99 0.38 -0.34 0.28 -0.60 0.00 0.00 178.31 179.02 1upb h VAL 520 N 0.00 0.31 -0.96 -0.55 2.07 -1.90 0.35 116.25 115.57 1upb h VAL 520 Ca -0.00 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1upb h VAL 520 Cb 0.74 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1upb h VAL 520 CO 0.05 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.27 1upb h ALA 521 N -0.63 1.37 0.02 1.67 0.00 -1.94 -1.98 119.26 117.77 1upb h ALA 521 Ca -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1upb h ALA 521 Cb 0.72 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1upb h ALA 521 CO 0.16 0.54 -0.17 1.25 0.00 0.00 0.00 179.25 181.03 1upb h LEU 522 N 1.22 -0.49 -0.74 0.00 5.85 -0.83 -0.76 115.31 119.57 1upb h LEU 522 Ca 0.38 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.26 1upb h LEU 522 Cb -0.01 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1upb h LEU 522 CO -0.11 -0.23 0.39 0.00 -0.34 0.00 0.00 178.44 178.15 1upb h ALA 523 N 0.62 1.03 -0.08 1.25 0.00 -0.59 -2.48 119.26 119.01 1upb h ALA 523 Ca 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1upb h ALA 523 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1upb h ALA 523 CO -0.15 0.01 -0.53 0.93 0.00 0.00 0.00 179.25 179.51 1upb h GLU 524 N 0.67 0.23 -0.20 0.00 5.08 -0.97 -0.95 114.58 118.43 1upb h GLU 524 Ca 0.36 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1upb h GLU 524 Cb 0.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1upb h GLU 524 CO -0.25 0.71 0.14 0.00 -1.00 0.00 0.00 179.01 178.61 1upb h ALA 525 N 1.27 2.15 -0.09 3.43 0.00 -0.68 -1.78 119.26 123.55 1upb h ALA 525 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 525 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1upb h ALA 525 CO 0.08 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1upb n ASN 526 N -4.48 1.58 0.00 0.00 3.02 -0.48 -4.93 115.26 109.96 1upb n ASN 526 Ca 0.02 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1upb n ASN 526 Cb 0.26 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1upb n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upb n GLY 527 N 1.15 0.46 3.29 7.41 0.00 -0.67 -4.38 105.19 112.46 1upb n GLY 527 Ca 0.18 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1upb n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 528 N -2.00 3.31 0.61 1.61 1.01 -0.51 -4.90 120.40 119.53 1upb s VAL 528 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1upb s VAL 528 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1upb s VAL 528 CO 0.00 0.38 1.24 -1.81 0.00 0.00 0.00 175.10 174.90 1upb s ASP 529 N 1.46 5.01 0.27 3.32 1.01 -1.26 -2.68 116.67 123.80 1upb s ASP 529 Ca 0.05 2.46 -0.19 0.00 0.71 0.00 0.00 52.55 55.59 1upb s ASP 529 Cb -0.15 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.19 1upb s ASP 529 CO -0.03 -1.72 0.65 0.00 0.21 0.00 0.00 175.17 174.28 1upb s ALA 530 N -1.53 -0.95 0.11 5.23 0.00 -1.26 -1.79 121.76 121.57 1upb s ALA 530 Ca 0.79 -0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1upb s ALA 530 Cb -0.33 0.91 0.08 0.00 0.00 0.00 0.00 23.12 23.78 1upb s ALA 530 CO 0.35 -0.99 0.77 -0.08 0.00 0.00 0.00 175.76 175.81 1upb s THR 531 N -3.94 0.00 -0.07 0.00 -1.32 -0.55 -4.95 115.64 104.80 1upb s THR 531 Ca 0.14 -0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.39 1upb s THR 531 Cb -0.05 -1.23 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1upb s THR 531 CO 0.08 0.00 0.11 -0.60 -2.21 0.00 0.00 174.62 172.00 1upb s ARG 532 N -3.47 3.28 -0.02 7.08 3.52 -1.26 -1.61 118.95 126.46 1upb s ARG 532 Ca 0.05 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1upb s ARG 532 Cb -0.02 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1upb s ARG 532 CO -0.07 0.72 -0.02 0.00 -0.81 0.00 0.00 175.30 175.12 1upb s ALA 533 N -1.08 0.37 0.00 6.12 0.00 -0.24 -4.92 121.76 122.01 1upb s ALA 533 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1upb s ALA 533 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1upb s ALA 533 CO 0.08 -0.00 0.44 0.25 0.00 0.00 0.00 175.76 176.53 1upb n THR 534 N 3.69 0.08 -3.98 0.00 -2.24 -1.26 -4.10 114.28 106.46 1upb n THR 534 Ca -0.22 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1upb n THR 534 Cb 0.53 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 1upb n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upb s ASN 535 N -0.08 0.49 0.13 3.42 2.20 -1.26 -4.43 114.94 115.41 1upb s ASN 535 Ca 0.00 -1.30 -0.19 0.00 -0.94 0.00 0.00 52.86 50.43 1upb s ASN 535 Cb 0.00 0.72 -0.01 0.00 -2.00 0.00 0.00 41.25 39.96 1upb s ASN 535 CO 0.00 -1.41 1.70 0.03 -2.94 0.00 0.00 177.10 174.48 1upb h ARG 536 N 2.09 0.01 -0.22 3.55 3.08 -1.97 -0.67 114.38 120.24 1upb h ARG 536 Ca -0.29 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.79 1upb h ARG 536 Cb 1.24 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1upb h ARG 536 CO 0.39 0.01 0.03 1.49 -1.07 0.00 0.00 179.97 180.81 1upb h GLU 537 N 0.01 0.11 -0.43 0.04 4.81 -1.99 0.13 114.58 117.26 1upb h GLU 537 Ca 0.11 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1upb h GLU 537 Cb 0.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1upb h GLU 537 CO -0.23 0.07 -0.11 0.93 -0.73 0.00 0.00 179.01 178.95 1upb h GLU 538 N 0.11 0.76 -0.29 1.92 5.08 -1.93 -2.66 114.58 117.58 1upb h GLU 538 Ca 0.10 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1upb h GLU 538 Cb 0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1upb h GLU 538 CO -0.14 0.84 -0.09 1.25 -1.00 0.00 0.00 179.01 179.87 1upb h LEU 539 N 0.69 0.58 -0.78 1.33 5.85 -0.50 -1.55 115.31 120.93 1upb h LEU 539 Ca 0.12 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1upb h LEU 539 Cb 0.58 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1upb h LEU 539 CO 0.04 0.83 0.39 -0.07 -0.34 0.00 0.00 178.44 179.28 1upb h LEU 540 N 0.33 1.00 -0.59 2.25 3.38 -0.72 -0.62 115.31 120.35 1upb h LEU 540 Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1upb h LEU 540 Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1upb h LEU 540 CO 0.03 0.84 0.21 0.00 0.09 0.00 0.00 178.44 179.61 1upb h ALA 541 N 1.20 0.76 -0.44 1.53 0.00 -1.42 -0.98 119.26 119.92 1upb h ALA 541 Ca 0.27 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1upb h ALA 541 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1upb h ALA 541 CO -0.04 0.41 -0.29 0.00 0.00 0.00 0.00 179.25 179.33 1upb h ALA 542 N 1.07 0.63 -0.58 0.00 0.00 -0.92 -1.52 119.26 117.93 1upb h ALA 542 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1upb h ALA 542 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1upb h ALA 542 CO -0.01 0.67 0.08 -0.07 0.00 0.00 0.00 179.25 179.92 1upb h LEU 543 N 0.81 0.94 -0.70 0.00 3.38 -1.03 -0.60 115.31 118.12 1upb h LEU 543 Ca 0.09 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1upb h LEU 543 Cb 0.88 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1upb h LEU 543 CO 0.08 0.97 -0.25 0.03 0.09 0.00 0.00 178.44 179.36 1upb h ARG 544 N 0.87 0.73 0.09 1.13 3.08 -1.10 -1.17 114.38 118.00 1upb h ARG 544 Ca 0.17 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1upb h ARG 544 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1upb h ARG 544 CO 0.01 0.91 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.56 1upb h LYS 545 N 0.63 -0.11 -0.77 0.04 3.64 -1.10 -2.91 116.57 115.99 1upb h LYS 545 Ca 0.08 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1upb h LYS 545 Cb 0.76 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 1upb h LYS 545 CO 0.06 0.18 0.44 0.78 -2.27 0.00 0.00 179.45 178.64 1upb h GLY 546 N -0.40 1.17 1.98 5.01 0.00 -1.04 -1.25 103.07 108.54 1upb h GLY 546 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1upb h GLY 546 CO 0.02 0.15 -0.16 0.00 0.00 0.00 0.00 176.54 176.55 1upb h ALA 547 N 1.41 1.71 -0.00 3.60 0.00 -1.20 -2.80 119.26 121.99 1upb h ALA 547 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1upb h ALA 547 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upb h ALA 547 CO -0.22 0.22 -0.77 0.39 0.00 0.00 0.00 179.25 178.87 1upb n GLU 548 N -4.34 0.36 0.23 0.00 1.02 -0.94 -4.61 120.64 112.35 1upb n GLU 548 Ca -0.02 -0.28 0.06 0.00 -0.02 0.00 0.00 57.16 56.90 1upb n GLU 548 Cb 0.23 -1.49 0.53 0.00 -0.02 0.00 0.00 31.44 30.69 1upb n GLU 548 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1upb h LEU 549 N 0.69 0.00 0.32 -4.62 5.85 -0.96 -3.47 115.31 113.12 1upb h LEU 549 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1upb h LEU 549 Cb 0.57 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1upb h LEU 549 CO 0.00 0.17 -0.12 0.61 -0.34 0.00 0.00 178.44 178.76 1upb n GLY 550 N -0.98 0.87 3.29 3.75 0.00 -1.26 -5.00 105.19 105.86 1upb n GLY 550 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1upb n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upb s ARG 551 N -2.29 1.01 0.65 1.61 0.52 -1.26 -4.85 118.95 114.34 1upb s ARG 551 Ca 0.00 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.25 1upb s ARG 551 Cb 0.00 0.43 -0.01 0.00 0.52 0.00 0.00 34.95 35.90 1upb s ARG 551 CO 0.00 -0.38 1.27 -1.25 0.02 0.00 0.00 175.30 174.97 1upb s PRO 552 N -3.82 2.56 -0.09 3.54 0.04 -1.24 -4.55 135.00 131.44 1upb s PRO 552 Ca 0.04 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1upb s PRO 552 Cb 0.03 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1upb s PRO 552 CO -0.12 -1.57 0.32 0.12 0.04 0.00 0.00 177.00 175.79 1upb s PHE 553 N -1.48 -0.29 0.00 0.56 5.36 -0.88 -4.09 117.98 117.17 1upb s PHE 553 Ca 0.81 0.66 0.04 0.00 -0.96 0.00 0.00 56.93 57.48 1upb s PHE 553 Cb -0.36 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 1upb s PHE 553 CO 0.39 -0.24 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.61 1upb s LEU 554 N -0.34 2.06 -0.11 6.12 0.20 -0.74 -1.34 118.68 124.53 1upb s LEU 554 Ca -0.05 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.50 1upb s LEU 554 Cb -0.03 -0.65 0.02 0.00 -0.43 0.00 0.00 46.19 45.10 1upb s LEU 554 CO 0.02 0.13 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.46 1upb s ILE 555 N -0.42 1.29 -0.19 6.68 1.01 0.82 -1.48 121.20 128.91 1upb s ILE 555 Ca 0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1upb s ILE 555 Cb -0.06 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1upb s ILE 555 CO -0.00 0.41 0.23 -0.70 0.00 0.00 0.00 174.94 174.87 1upb s GLU 556 N 1.31 4.21 -0.15 2.79 2.12 -0.64 -0.42 118.70 127.93 1upb s GLU 556 Ca -0.01 -0.05 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 1upb s GLU 556 Cb -0.14 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.84 1upb s GLU 556 CO -0.05 0.21 -0.10 0.08 -0.54 0.00 0.00 175.26 174.86 1upb s VAL 557 N 0.57 1.30 0.19 3.70 1.01 -0.36 -1.08 120.40 125.74 1upb s VAL 557 Ca 0.13 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1upb s VAL 557 Cb -0.12 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 1upb s VAL 557 CO 0.02 0.33 1.25 -2.16 0.00 0.00 0.00 175.10 174.54 1upb s PRO 558 N 1.58 4.45 0.17 2.72 0.04 -1.26 -1.20 135.00 141.50 1upb s PRO 558 Ca 0.03 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1upb s PRO 558 Cb -0.14 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1upb s PRO 558 CO -0.09 -0.16 0.01 0.14 0.04 0.00 0.00 177.00 176.94 1upb s VAL 559 N -0.02 0.61 0.17 -0.36 -7.23 -0.51 -1.46 120.40 111.60 1upb s VAL 559 Ca 0.54 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1upb s VAL 559 Cb -0.34 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1upb s VAL 559 CO 0.38 -0.47 0.07 0.20 -0.31 0.00 0.00 175.10 174.97 1upb s ASN 560 N -3.16 0.55 -0.12 4.85 -0.87 -1.11 -4.24 114.94 110.83 1upb s ASN 560 Ca 0.24 -1.27 -0.04 0.00 -1.57 0.00 0.00 52.86 50.22 1upb s ASN 560 Cb 0.06 0.27 -0.06 0.00 -0.02 0.00 0.00 41.25 41.50 1upb s ASN 560 CO 0.04 -0.73 -0.14 -1.22 -2.57 0.00 0.00 177.10 172.48 1upb n TYR 561 N -0.21 0.00 -3.33 2.20 4.01 -1.26 -4.61 117.16 113.96 1upb n TYR 561 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1upb n TYR 561 Cb 0.64 -0.45 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 1upb n TYR 561 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1upb n ASP 562 N -3.33 -6.66 -4.93 7.72 2.03 -1.26 -4.98 116.55 105.14 1upb n ASP 562 Ca -0.24 -0.50 -0.25 0.00 0.52 0.00 0.00 54.79 54.33 1upb n ASP 562 Cb 0.69 -4.29 -0.02 0.00 -0.72 0.00 0.00 41.12 36.79 1upb n ASP 562 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1upb s PHE 563 N -3.13 3.50 -0.50 -0.67 -0.12 -1.26 -5.05 117.98 110.73 1upb s PHE 563 Ca 0.15 0.42 -0.14 0.00 -0.05 0.00 0.00 56.93 57.32 1upb s PHE 563 Cb -0.04 -1.95 0.12 0.00 -0.63 0.00 0.00 43.02 40.52 1upb s PHE 563 CO 0.80 0.13 0.43 -0.65 -0.05 0.00 0.00 175.22 175.88 1upb s GLN 564 N -4.11 2.82 0.44 1.99 1.11 -1.26 -4.97 119.66 115.67 1upb s GLN 564 Ca 0.41 -1.67 0.17 0.00 0.01 0.00 0.00 55.36 54.28 1upb s GLN 564 Cb -0.10 -4.14 1.09 0.00 -1.01 0.00 0.00 33.01 28.85 1upb s GLN 564 CO 0.35 -1.23 1.92 -1.35 0.01 0.00 0.00 175.29 174.98 1upb h PRO 565 N 8.72 0.36 0.00 2.91 0.11 -1.93 -2.48 132.00 139.69 1upb h PRO 565 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1upb h PRO 565 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1upb h PRO 565 CO 0.95 0.24 0.00 0.78 -0.21 0.00 0.00 178.00 179.76 1upb h GLY 566 N 0.37 0.00 -0.74 -0.55 0.00 -1.93 -3.31 103.07 96.90 1upb h GLY 566 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1upb h GLY 566 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.04 1upb n GLY 567 N 0.18 0.32 0.76 4.60 0.00 -0.93 -4.32 105.19 105.79 1upb n GLY 567 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1upb n GLY 567 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upb n PHE 568 N -0.09 0.30 0.26 1.61 3.72 -1.25 -2.85 117.46 119.16 1upb n PHE 568 Ca 0.04 -1.54 0.11 0.00 -0.05 0.00 0.00 57.45 56.01 1upb n PHE 568 Cb 0.20 -0.31 0.72 0.00 -0.94 0.00 0.00 39.48 39.15 1upb n PHE 568 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upb h GLY 569 N 1.02 0.00 2.00 1.37 0.00 -1.89 -1.96 103.07 103.62 1upb h GLY 569 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1upb h GLY 569 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.64 1upb h ALA 570 N 1.91 1.00 0.00 3.60 0.00 -1.86 -2.73 119.26 121.19 1upb h ALA 570 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 570 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1upb h ALA 570 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1upb n LEU 571 N -2.38 0.00 -0.96 0.00 4.77 -0.74 -4.95 117.00 112.75 1upb n LEU 571 Ca -0.01 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1upb n LEU 571 Cb 0.08 -0.34 0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1upb n LEU 571 CO 0.13 -0.14 0.63 -1.20 -1.33 0.00 0.00 177.39 175.48