#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upc s THR 13 N 0.00 2.31 0.55 0.52 2.01 -1.26 -4.56 115.64 115.21 1upc s THR 13 Ca 0.00 -1.98 0.24 0.00 0.31 0.00 0.00 61.69 60.27 1upc s THR 13 Cb 0.00 -2.86 0.35 0.00 0.01 0.00 0.00 72.50 70.00 1upc s THR 13 CO 0.00 -0.11 2.09 0.00 -0.69 0.00 0.00 174.62 175.91 1upc h ALA 14 N 1.77 2.05 -0.28 7.40 0.00 -1.41 -1.37 119.26 127.42 1upc h ALA 14 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1upc h ALA 14 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1upc h ALA 14 CO 0.72 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.78 1upc h ALA 15 N 1.83 0.37 -0.62 0.00 0.00 -1.65 -0.88 119.26 118.30 1upc h ALA 15 Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 15 Cb 0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1upc h ALA 15 CO -0.00 -0.04 0.36 1.25 0.00 0.00 0.00 179.25 180.82 1upc h HIS 16 N 0.31 0.68 0.00 0.00 6.17 -1.61 -2.49 115.15 118.21 1upc h HIS 16 Ca 0.09 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.13 1upc h HIS 16 Cb 0.17 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 1upc h HIS 16 CO -0.01 0.36 -0.33 0.00 0.71 0.00 0.00 177.93 178.67 1upc h ALA 17 N 1.29 1.30 0.05 5.26 0.00 -1.03 -0.69 119.26 125.45 1upc h ALA 17 Ca 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 17 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1upc h ALA 17 CO -0.13 0.41 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1upc h LEU 18 N 0.00 -0.05 -0.37 0.00 5.85 -1.03 -2.10 115.31 117.62 1upc h LEU 18 Ca -0.00 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.19 1upc h LEU 18 Cb 0.64 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1upc h LEU 18 CO 0.04 0.68 0.12 -0.07 -0.34 0.00 0.00 178.44 178.88 1upc h LEU 19 N -0.93 0.13 -1.17 2.25 3.38 -1.45 -0.98 115.31 116.56 1upc h LEU 19 Ca -0.01 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1upc h LEU 19 Cb 0.62 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1upc h LEU 19 CO 0.01 0.11 0.58 -1.28 0.09 0.00 0.00 178.44 177.95 1upc h SER 20 N 0.27 0.89 1.10 -0.43 0.87 -1.18 -0.31 113.55 114.76 1upc h SER 20 Ca 0.17 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 1upc h SER 20 Cb 0.15 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1upc h SER 20 CO -0.17 0.57 -0.83 -0.09 -0.53 0.00 0.00 176.83 175.78 1upc h ARG 21 N 1.01 0.00 -0.40 2.24 9.65 -1.05 -0.96 114.38 124.88 1upc h ARG 21 Ca 0.38 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.22 1upc h ARG 21 Cb 0.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1upc h ARG 21 CO -0.14 0.83 0.08 -0.07 2.80 0.00 0.00 179.97 183.46 1upc h LEU 22 N 0.00 0.62 -1.05 3.80 3.38 -0.29 -2.74 115.31 119.02 1upc h LEU 22 Ca -0.01 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1upc h LEU 22 Cb 1.60 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 1upc h LEU 22 CO 0.11 0.71 0.64 0.03 0.09 0.00 0.00 178.44 180.02 1upc h ARG 23 N 0.50 1.22 0.00 1.13 3.08 -0.93 -1.36 114.38 118.03 1upc h ARG 23 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1upc h ARG 23 Cb 0.35 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1upc h ARG 23 CO 0.01 0.81 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.25 1upc h ASP 24 N 1.26 0.00 -0.61 7.04 3.32 -0.95 -0.90 116.42 125.58 1upc h ASP 24 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1upc h ASP 24 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1upc h ASP 24 CO -0.10 0.02 0.00 1.41 -1.72 0.00 0.00 179.24 178.85 1upc n HIS 25 N -3.68 1.73 -0.42 4.55 8.25 -0.69 -4.75 115.22 120.21 1upc n HIS 25 Ca -0.03 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 1upc n HIS 25 Cb 0.11 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1upc n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upc n GLY 26 N 0.87 0.92 3.71 -1.41 0.00 -0.34 -4.73 105.19 104.21 1upc n GLY 26 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1upc n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 27 N -2.95 4.37 -0.08 1.61 1.01 -0.60 -4.89 120.40 118.87 1upc s VAL 27 Ca 0.00 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1upc s VAL 27 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1upc s VAL 27 CO 0.00 0.11 0.08 0.61 0.00 0.00 0.00 175.10 175.90 1upc n GLY 28 N 3.12 0.72 2.92 4.51 0.00 -1.26 -3.90 105.19 111.30 1upc n GLY 28 Ca 0.08 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1upc n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upc s LYS 29 N -1.28 0.43 -0.22 1.61 -0.14 -1.26 -1.77 119.74 117.11 1upc s LYS 29 Ca 0.01 -0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 54.48 1upc s LYS 29 Cb 0.01 -0.45 0.01 0.00 -1.68 0.00 0.00 37.83 35.72 1upc s LYS 29 CO 0.08 0.04 -0.10 0.08 -0.76 0.00 0.00 175.35 174.68 1upc s VAL 30 N 0.22 2.75 -0.08 3.17 1.01 -0.35 -4.24 120.40 122.87 1upc s VAL 30 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1upc s VAL 30 Cb -0.06 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1upc s VAL 30 CO -0.00 0.38 0.44 -0.36 0.00 0.00 0.00 175.10 175.56 1upc s PHE 31 N 1.36 3.58 -0.53 5.22 0.40 -0.91 -1.03 117.98 126.06 1upc s PHE 31 Ca 0.03 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 1upc s PHE 31 Cb -0.15 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.93 1upc s PHE 31 CO -0.07 0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.59 1upc n GLY 32 N 2.81 -0.69 3.00 4.36 0.00 -0.24 -0.72 105.19 113.72 1upc n GLY 32 Ca -0.10 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1upc n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 33 N -3.00 0.99 -0.17 1.61 1.01 -1.03 -0.90 120.40 118.91 1upc s VAL 33 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1upc s VAL 33 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1upc s VAL 33 CO 0.00 0.32 0.15 -0.69 0.00 0.00 0.00 175.10 174.87 1upc s VAL 34 N 0.58 5.43 0.00 2.92 1.01 -1.26 -3.58 120.40 125.49 1upc s VAL 34 Ca -0.12 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1upc s VAL 34 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1upc s VAL 34 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1upc n GLY 35 N 3.06 2.79 0.08 4.51 0.00 -1.26 -4.93 105.19 109.44 1upc n GLY 35 Ca -0.17 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 43.99 1upc n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upc n ARG 36 N 0.00 0.08 0.00 1.61 1.85 -1.26 -0.78 116.66 118.16 1upc n ARG 36 Ca 0.00 0.52 0.02 0.00 -1.00 0.00 0.00 57.85 57.39 1upc n ARG 36 Cb 0.00 -1.73 0.11 0.00 -1.05 0.00 0.00 32.46 29.79 1upc n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upc n GLU 37 N -1.90 0.05 0.14 2.89 0.00 -1.26 -2.28 120.64 118.27 1upc n GLU 37 Ca 0.00 0.28 0.18 0.00 0.00 0.00 0.00 57.16 57.63 1upc n GLU 37 Cb 0.06 -1.50 0.77 0.00 0.00 0.00 0.00 31.44 30.77 1upc n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upc h ALA 38 N 2.20 2.04 0.00 -1.84 0.00 -1.13 -0.36 119.26 120.17 1upc h ALA 38 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 38 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1upc h ALA 38 CO 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 179.25 178.69 1upc h ALA 39 N 1.71 1.28 0.00 0.00 0.00 -1.73 -3.13 119.26 117.39 1upc h ALA 39 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1upc h ALA 39 Cb 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1upc h ALA 39 CO -0.00 0.15 -1.84 0.43 0.00 0.00 0.00 179.25 177.99 1upc n SER 40 N -3.64 0.86 -3.69 0.00 7.64 -0.24 -4.97 113.62 109.58 1upc n SER 40 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1upc n SER 40 Cb 0.24 1.79 -0.13 0.00 -1.01 0.00 0.00 64.21 65.10 1upc n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upc s ILE 41 N -3.22 -0.25 -0.15 0.44 2.07 -0.65 -4.51 121.20 114.93 1upc s ILE 41 Ca -0.07 0.24 -0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1upc s ILE 41 Cb 0.11 -0.40 -0.23 0.00 0.13 0.00 0.00 42.46 42.07 1upc s ILE 41 CO 0.75 0.10 0.22 0.18 -1.91 0.00 0.00 174.94 174.28 1upc n LEU 42 N 4.89 2.52 0.00 8.50 4.77 -1.26 -4.21 117.00 132.21 1upc n LEU 42 Ca -0.14 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1upc n LEU 42 Cb 0.51 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1upc n LEU 42 CO 0.08 0.83 0.00 0.49 -1.33 0.00 0.00 177.39 177.46 1upc n PHE 43 N -3.37 0.00 -0.70 -1.77 3.72 -1.26 -4.95 117.46 109.13 1upc n PHE 43 Ca -0.35 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.13 1upc n PHE 43 Cb 1.04 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.86 1upc n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upc n ASP 44 N 0.00 4.13 0.19 4.37 5.75 -1.26 -4.57 116.55 125.16 1upc n ASP 44 Ca 0.00 -2.63 0.14 0.00 -0.01 0.00 0.00 54.79 52.28 1upc n ASP 44 Cb 0.00 -0.50 0.41 0.00 -1.03 0.00 0.00 41.12 40.00 1upc n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upc h GLU 45 N 2.71 0.00 -3.48 0.11 3.07 -1.92 -3.43 114.58 111.64 1upc h GLU 45 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.44 1upc h GLU 45 Cb 1.35 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.87 1upc h GLU 45 CO 0.21 0.00 -0.75 0.08 -1.40 0.00 0.00 179.01 177.14 1upc s VAL 46 N -3.32 0.15 0.31 3.13 1.01 -1.26 -4.98 120.40 115.44 1upc s VAL 46 Ca 0.06 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1upc s VAL 46 Cb 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 36.38 35.94 1upc s VAL 46 CO 0.57 0.15 1.53 -1.83 0.00 0.00 0.00 175.10 175.53 1upc s GLU 47 N 2.06 4.14 0.00 2.72 1.03 -1.26 -3.06 118.70 124.33 1upc s GLU 47 Ca 0.04 2.53 0.00 0.00 0.03 0.00 0.00 54.97 57.58 1upc s GLU 47 Cb -0.13 -3.02 0.00 0.00 -0.80 0.00 0.00 34.13 30.18 1upc s GLU 47 CO -0.05 -0.56 0.00 0.41 -1.33 0.00 0.00 175.26 173.73 1upc n GLY 48 N 1.60 0.56 2.99 -3.83 0.00 -1.26 -5.04 105.19 100.21 1upc n GLY 48 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1upc n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1upc s ILE 49 N -2.28 1.47 0.13 -0.61 2.07 -1.17 -4.44 121.20 116.37 1upc s ILE 49 Ca 0.00 -0.68 0.06 0.00 -1.41 0.00 0.00 60.65 58.61 1upc s ILE 49 Cb 0.00 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.09 1upc s ILE 49 CO 0.00 0.34 0.02 -1.81 -1.91 0.00 0.00 174.94 171.58 1upc s ASP 50 N 1.51 4.99 -0.07 4.50 1.01 -0.73 -4.82 116.67 123.06 1upc s ASP 50 Ca 0.03 -0.26 -0.13 0.00 0.71 0.00 0.00 52.55 52.90 1upc s ASP 50 Cb -0.14 -1.16 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 1upc s ASP 50 CO -0.09 0.13 0.34 0.12 0.21 0.00 0.00 175.17 175.87 1upc s PHE 51 N -1.53 3.63 -0.34 4.23 5.36 -1.26 -1.21 117.98 126.87 1upc s PHE 51 Ca 0.27 0.81 0.02 0.00 -0.96 0.00 0.00 56.93 57.07 1upc s PHE 51 Cb -0.11 -2.25 0.09 0.00 -0.34 0.00 0.00 43.02 40.42 1upc s PHE 51 CO 0.19 0.54 0.06 0.08 -1.46 0.00 0.00 175.22 174.63 1upc s VAL 52 N -0.62 2.50 0.03 3.12 1.01 -0.20 -4.94 120.40 121.29 1upc s VAL 52 Ca 0.21 -2.16 -0.30 0.00 0.00 0.00 0.00 61.98 59.72 1upc s VAL 52 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1upc s VAL 52 CO 0.09 -0.53 1.11 -0.22 0.00 0.00 0.00 175.10 175.56 1upc s LEU 53 N 0.99 4.36 0.00 3.92 2.96 -1.26 -1.08 118.68 128.57 1upc s LEU 53 Ca 0.07 1.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 1upc s LEU 53 Cb -0.20 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 42.96 1upc s LEU 53 CO -0.07 -0.40 0.38 0.35 -1.32 0.00 0.00 176.35 175.30 1upc n THR 54 N 3.96 0.00 0.05 3.68 -2.24 -0.08 -4.90 114.28 114.76 1upc n THR 54 Ca 0.08 -2.03 0.11 0.00 -2.27 0.00 0.00 64.05 59.93 1upc n THR 54 Cb 0.48 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 1upc n THR 54 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upc n ARG 55 N -1.70 0.63 -3.72 -0.78 5.12 -1.26 -4.77 116.66 110.17 1upc n ARG 55 Ca -0.02 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.75 1upc n ARG 55 Cb 0.58 -1.70 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 1upc n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1upc s HIS 56 N -3.42 -0.34 0.30 -1.55 2.46 -1.26 -5.03 115.29 106.45 1upc s HIS 56 Ca -0.04 0.68 0.24 0.00 0.47 0.00 0.00 55.06 56.42 1upc s HIS 56 Cb 0.11 0.15 1.14 0.00 -0.13 0.00 0.00 32.58 33.86 1upc s HIS 56 CO 0.84 -0.35 1.94 0.93 -2.47 0.00 0.00 174.74 175.63 1upc h GLU 57 N 4.39 0.00 -0.83 2.88 3.07 -1.91 -2.90 114.58 119.28 1upc h GLU 57 Ca -0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 1upc h GLU 57 Cb 1.17 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1upc h GLU 57 CO 0.34 0.20 0.44 0.35 -1.40 0.00 0.00 179.01 178.94 1upc h PHE 58 N 0.00 1.16 -0.40 4.33 3.57 -1.88 -1.91 116.94 121.81 1upc h PHE 58 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1upc h PHE 58 Cb 0.55 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1upc h PHE 58 CO 0.00 0.82 0.26 1.15 -2.23 0.00 0.00 178.31 178.31 1upc h THR 59 N 1.16 1.11 0.13 4.41 2.02 -1.88 -1.36 112.91 118.50 1upc h THR 59 Ca 0.29 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1upc h THR 59 Cb 0.06 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1upc h THR 59 CO -0.04 0.11 -0.51 0.00 0.37 0.00 0.00 175.52 175.45 1upc h ALA 60 N 1.13 -0.95 -0.95 6.16 0.00 -1.49 -0.78 119.26 122.39 1upc h ALA 60 Ca 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1upc h ALA 60 Cb -0.04 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1upc h ALA 60 CO -0.03 -1.10 0.61 0.78 0.00 0.00 0.00 179.25 179.51 1upc h GLY 61 N -0.74 1.40 1.30 0.00 0.00 -1.15 -2.12 103.07 101.75 1upc h GLY 61 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 46.66 1upc h GLY 61 CO -0.28 0.37 -0.73 -2.08 0.00 0.00 0.00 176.54 173.82 1upc h VAL 62 N 1.16 1.30 -0.60 4.60 2.07 -1.08 -1.97 116.25 121.73 1upc h VAL 62 Ca 0.39 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1upc h VAL 62 Cb 0.06 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1upc h VAL 62 CO -0.14 0.62 0.33 0.00 0.02 0.00 0.00 177.57 178.40 1upc h ALA 63 N 0.69 1.46 -0.29 1.67 0.00 -0.91 -1.13 119.26 120.74 1upc h ALA 63 Ca -0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1upc h ALA 63 Cb 1.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1upc h ALA 63 CO 0.15 0.45 -0.45 0.00 0.00 0.00 0.00 179.25 179.40 1upc h ALA 64 N 1.53 0.45 -0.61 0.00 0.00 -1.25 -1.54 119.26 117.84 1upc h ALA 64 Ca 0.21 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 64 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1upc h ALA 64 CO -0.04 0.60 0.34 0.22 0.00 0.00 0.00 179.25 180.37 1upc h ASP 65 N 0.59 0.76 -0.07 0.00 1.82 -0.79 -1.79 116.42 116.94 1upc h ASP 65 Ca 0.03 -0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 56.40 1upc h ASP 65 Cb 1.05 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.88 1upc h ASP 65 CO 0.10 0.63 -0.66 0.58 -1.61 0.00 0.00 179.24 178.29 1upc h VAL 66 N 0.83 1.35 -0.29 2.25 2.07 -1.22 -2.00 116.25 119.25 1upc h VAL 66 Ca 0.22 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.81 1upc h VAL 66 Cb 0.04 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1upc h VAL 66 CO -0.04 0.60 0.20 0.25 0.02 0.00 0.00 177.57 178.61 1upc h LEU 67 N 0.18 0.14 0.08 2.57 5.85 -1.25 -2.07 115.31 120.81 1upc h LEU 67 Ca -0.06 -0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.41 1upc h LEU 67 Cb 1.32 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1upc h LEU 67 CO 0.13 0.09 -1.16 0.00 -0.34 0.00 0.00 178.44 177.17 1upc h ALA 68 N 1.84 0.20 -0.09 1.25 0.00 -1.02 -2.09 119.26 119.35 1upc h ALA 68 Ca 0.13 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1upc h ALA 68 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1upc h ALA 68 CO -0.02 1.08 -0.06 -0.09 0.00 0.00 0.00 179.25 180.17 1upc h ARG 69 N 0.05 0.21 -0.28 0.00 2.43 -1.09 -1.29 114.38 114.40 1upc h ARG 69 Ca -0.09 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1upc h ARG 69 Cb 1.90 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 1upc h ARG 69 CO 0.17 0.58 -0.20 0.82 -1.51 0.00 0.00 179.97 179.84 1upc h ILE 70 N -0.17 1.30 0.00 1.20 2.04 -1.44 -3.12 117.51 117.32 1upc h ILE 70 Ca 0.02 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1upc h ILE 70 Cb 0.53 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1upc h ILE 70 CO 0.02 0.42 0.00 0.71 0.00 0.00 0.00 178.15 179.30 1upc h THR 71 N 0.36 0.00 -0.69 -0.27 1.35 -1.46 -3.47 112.91 108.72 1upc h THR 71 Ca 0.05 -0.47 -0.30 0.00 -0.55 0.00 0.00 66.41 65.15 1upc h THR 71 Cb 0.74 1.42 -0.12 0.00 -1.73 0.00 0.00 68.15 68.46 1upc h THR 71 CO 0.05 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.66 1upc n GLY 72 N 1.01 1.40 3.32 5.82 0.00 -0.50 -5.00 105.19 111.24 1upc n GLY 72 Ca 0.05 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1upc n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upc s ARG 73 N -3.22 1.54 0.39 1.61 0.52 -1.16 -4.80 118.95 113.83 1upc s ARG 73 Ca 0.00 -1.10 -0.27 0.00 -0.52 0.00 0.00 55.73 53.84 1upc s ARG 73 Cb 0.00 -1.76 -0.11 0.00 0.52 0.00 0.00 34.95 33.60 1upc s ARG 73 CO 0.00 0.44 1.39 -2.30 0.02 0.00 0.00 175.30 174.85 1upc n PRO 74 N 1.60 2.33 -4.50 3.54 -0.02 -1.26 -4.44 135.00 132.25 1upc n PRO 74 Ca -0.17 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1upc n PRO 74 Cb 0.53 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 1upc n PRO 74 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1upc s GLN 75 N -2.12 1.79 -0.02 -0.52 -1.52 -0.82 -4.63 119.66 111.82 1upc s GLN 75 Ca 0.56 -2.04 0.02 0.00 -1.95 0.00 0.00 55.36 51.95 1upc s GLN 75 Cb -0.50 -0.87 0.00 0.00 -0.22 0.00 0.00 33.01 31.43 1upc s GLN 75 CO 0.61 -0.28 -0.05 0.00 -0.25 0.00 0.00 175.29 175.32 1upc s ALA 76 N -3.22 0.52 0.27 6.09 0.00 -1.26 -0.14 121.76 124.02 1upc s ALA 76 Ca 0.30 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1upc s ALA 76 Cb 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1upc s ALA 76 CO 0.14 0.08 -0.00 0.00 0.00 0.00 0.00 175.76 175.98 1upc s TRP 78 N -3.28 -0.22 0.08 0.00 -0.11 0.10 -1.22 118.94 114.29 1upc s TRP 78 Ca 0.31 0.54 -0.08 0.00 1.22 0.00 0.00 56.10 58.10 1upc s TRP 78 Cb 0.06 0.04 -0.01 0.00 -1.50 0.00 0.00 33.47 32.06 1upc s TRP 78 CO 0.11 -0.14 0.16 0.00 -4.62 0.00 0.00 176.95 172.46 1upc s ALA 79 N 0.51 -0.13 1.01 5.86 0.00 0.32 -2.47 121.76 126.86 1upc s ALA 79 Ca -0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1upc s ALA 79 Cb -0.05 0.43 0.10 0.00 0.00 0.00 0.00 23.12 23.60 1upc s ALA 79 CO -0.03 -0.47 0.56 -2.37 0.00 0.00 0.00 175.76 173.45 1upc n THR 80 N 0.05 0.00 -1.79 0.00 5.66 -1.24 -1.25 114.28 115.71 1upc n THR 80 Ca -0.15 -0.40 -0.30 0.00 -3.05 0.00 0.00 64.05 60.15 1upc n THR 80 Cb 0.62 -1.74 0.07 0.00 -1.55 0.00 0.00 70.33 67.73 1upc n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upc s LEU 81 N 0.00 2.69 0.00 1.09 2.34 -1.24 -2.27 118.68 121.29 1upc s LEU 81 Ca 0.32 1.08 0.00 0.00 0.06 0.00 0.00 54.13 55.59 1upc s LEU 81 Cb -0.01 -3.74 0.00 0.00 -0.56 0.00 0.00 46.19 41.88 1upc s LEU 81 CO 0.23 -1.68 0.00 0.61 -1.06 0.00 0.00 176.35 174.44 1upc n GLY 82 N -2.82 2.21 0.28 -3.48 0.00 -1.10 -2.16 105.19 98.13 1upc n GLY 82 Ca 0.07 0.34 0.16 0.00 0.00 0.00 0.00 46.02 46.60 1upc n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upc h PRO 83 N 0.00 0.00 -0.15 1.61 0.13 -1.86 -1.67 132.00 130.05 1upc h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1upc h PRO 83 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1upc h PRO 83 CO 0.00 0.07 0.09 0.78 -0.23 0.00 0.00 178.00 178.71 1upc h GLY 84 N 1.21 0.21 0.99 1.56 0.00 -1.55 -2.03 103.07 103.45 1upc h GLY 84 Ca -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1upc h GLY 84 CO 0.01 0.07 -0.18 1.98 0.00 0.00 0.00 176.54 178.42 1upc h MET 85 N 0.19 0.77 -0.47 4.80 1.85 -0.88 -0.99 114.93 120.21 1upc h MET 85 Ca 0.06 -0.34 -0.04 0.00 -0.61 0.00 0.00 59.70 58.77 1upc h MET 85 Cb -0.01 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 1upc h MET 85 CO -0.02 0.95 0.11 1.79 -0.40 0.00 0.00 176.91 179.34 1upc h THR 86 N 0.56 1.21 -0.38 -0.77 1.35 -1.43 -1.45 112.91 112.00 1upc h THR 86 Ca 0.08 -0.74 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 1upc h THR 86 Cb 0.73 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1upc h THR 86 CO 0.05 0.27 0.03 0.78 -0.25 0.00 0.00 175.52 176.41 1upc h ASN 87 N 0.69 0.62 -0.17 5.36 4.21 -1.03 -2.51 115.58 122.75 1upc h ASN 87 Ca 0.16 -0.28 0.03 0.00 1.21 0.00 0.00 56.30 57.41 1upc h ASN 87 Cb 0.26 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1upc h ASN 87 CO -0.00 0.75 0.12 0.25 -1.29 0.00 0.00 177.43 177.26 1upc h LEU 88 N 0.47 0.11 -2.08 1.61 6.46 -0.96 -3.06 115.31 117.86 1upc h LEU 88 Ca 0.11 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1upc h LEU 88 Cb 0.41 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1upc h LEU 88 CO 0.01 0.07 -0.08 0.77 -0.62 0.00 0.00 178.44 178.60 1upc h SER 89 N 0.12 0.00 0.24 1.25 4.64 -0.79 0.11 113.55 119.11 1upc h SER 89 Ca 0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1upc h SER 89 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1upc h SER 89 CO -0.01 0.08 -0.62 0.74 -0.87 0.00 0.00 176.83 176.15 1upc h THR 90 N 0.00 1.36 -0.58 2.95 2.02 -1.66 0.20 112.91 117.21 1upc h THR 90 Ca -0.00 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1upc h THR 90 Cb 0.25 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1upc h THR 90 CO 0.01 0.59 0.38 1.23 0.37 0.00 0.00 175.52 178.10 1upc h GLY 91 N 1.30 0.82 1.01 2.16 0.00 -1.01 -1.72 103.07 105.62 1upc h GLY 91 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1upc h GLY 91 CO 0.11 0.31 -0.16 -2.22 0.00 0.00 0.00 176.54 174.57 1upc h ILE 92 N 0.78 1.28 -0.91 2.60 2.04 -0.92 -1.12 117.51 121.25 1upc h ILE 92 Ca 0.21 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.87 1upc h ILE 92 Cb -0.08 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1upc h ILE 92 CO -0.04 0.43 0.59 0.00 0.00 0.00 0.00 178.15 179.12 1upc h ALA 93 N 0.83 1.54 -0.11 1.87 0.00 -0.56 -0.81 119.26 122.02 1upc h ALA 93 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upc h ALA 93 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1upc h ALA 93 CO 0.05 0.31 0.06 1.15 0.00 0.00 0.00 179.25 180.82 1upc h THR 94 N 1.00 1.10 -0.59 0.00 2.02 -0.55 -2.26 112.91 113.62 1upc h THR 94 Ca 0.40 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1upc h THR 94 Cb 0.26 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1upc h THR 94 CO -0.16 0.09 0.37 -1.28 0.37 0.00 0.00 175.52 174.91 1upc h SER 95 N 0.07 0.70 -0.05 4.18 0.87 -0.82 -0.75 113.55 117.75 1upc h SER 95 Ca 0.04 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1upc h SER 95 Cb 0.09 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1upc h SER 95 CO -0.01 0.54 -0.35 1.62 -0.53 0.00 0.00 176.83 178.10 1upc h VAL 96 N 0.80 1.29 0.12 2.23 3.04 -0.99 -0.54 116.25 122.20 1upc h VAL 96 Ca 0.21 -1.47 -0.26 0.00 -1.01 0.00 0.00 66.70 64.17 1upc h VAL 96 Cb -0.04 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1upc h VAL 96 CO -0.04 0.47 -1.34 -0.07 -1.01 0.00 0.00 177.57 175.58 1upc h LEU 97 N 0.45 0.39 -0.21 3.16 3.38 -1.38 -3.34 115.31 117.77 1upc h LEU 97 Ca 0.05 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1upc h LEU 97 Cb 0.83 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1upc h LEU 97 CO 0.07 1.59 0.00 0.47 0.09 0.00 0.00 178.44 180.66 1upc n ASP 98 N -3.95 0.58 -2.21 -0.43 9.92 -0.29 -4.49 116.55 115.68 1upc n ASP 98 Ca -0.24 0.58 -0.01 0.00 -0.53 0.00 0.00 54.79 54.60 1upc n ASP 98 Cb 0.89 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1upc n ASP 98 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1upc n ARG 99 N -2.08 -1.81 -3.90 -1.24 5.12 -0.25 -4.93 116.66 107.58 1upc n ARG 99 Ca 0.05 1.70 -0.11 0.00 -1.93 0.00 0.00 57.85 57.55 1upc n ARG 99 Cb 0.34 -3.60 -0.12 0.00 -1.16 0.00 0.00 32.46 27.93 1upc n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upc s SER 100 N -1.20 0.05 -0.98 0.55 1.04 -0.96 -4.83 113.70 107.36 1upc s SER 100 Ca 0.04 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 1upc s SER 100 Cb -0.01 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1upc s SER 100 CO 0.44 -0.22 1.37 -2.16 0.98 0.00 0.00 173.24 173.65 1upc s PRO 101 N -0.86 3.56 -0.06 4.02 0.04 -1.26 -2.57 135.00 137.87 1upc s PRO 101 Ca -0.09 -1.20 0.03 0.00 0.04 0.00 0.00 61.00 59.77 1upc s PRO 101 Cb -0.06 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.27 1upc s PRO 101 CO 0.00 -2.11 -0.12 0.08 0.04 0.00 0.00 177.00 174.89 1upc s VAL 102 N 4.53 3.26 -0.43 -0.36 1.01 -1.22 -1.95 120.40 125.24 1upc s VAL 102 Ca 0.42 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1upc s VAL 102 Cb -0.02 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.11 1upc s VAL 102 CO -0.08 0.59 0.33 -0.63 0.00 0.00 0.00 175.10 175.30 1upc s ILE 103 N -0.70 5.12 -0.18 2.22 -1.09 0.80 -1.06 121.20 126.31 1upc s ILE 103 Ca 0.11 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.48 1upc s ILE 103 Cb -0.11 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1upc s ILE 103 CO 0.01 -0.42 0.37 0.00 -1.23 0.00 0.00 174.94 173.67 1upc s ALA 104 N 1.64 3.55 -0.09 9.38 0.00 0.70 -1.61 121.76 135.32 1upc s ALA 104 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1upc s ALA 104 Cb -0.21 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1upc s ALA 104 CO 0.08 -0.14 -0.19 -0.51 0.00 0.00 0.00 175.76 175.00 1upc s LEU 105 N 0.96 1.90 0.01 0.00 1.43 -0.36 -1.73 118.68 120.89 1upc s LEU 105 Ca 0.19 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1upc s LEU 105 Cb -0.14 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1upc s LEU 105 CO 0.07 0.10 -0.03 0.00 0.23 0.00 0.00 176.35 176.72 1upc s ALA 106 N 0.54 0.24 0.90 4.21 0.00 -1.06 -0.52 121.76 126.07 1upc s ALA 106 Ca -0.16 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1upc s ALA 106 Cb -0.17 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.07 1upc s ALA 106 CO 0.06 0.02 1.10 0.00 0.00 0.00 0.00 175.76 176.93 1upc s ALA 107 N -0.38 1.54 0.06 0.00 0.00 -0.38 -0.22 121.76 122.39 1upc s ALA 107 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1upc s ALA 107 Cb -0.03 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 1upc s ALA 107 CO -0.00 -2.36 0.16 -1.14 0.00 0.00 0.00 175.76 172.42 1upc s GLN 108 N -5.00 0.72 0.53 0.00 2.00 0.05 -3.62 119.66 114.35 1upc s GLN 108 Ca 0.63 -0.82 -0.18 0.00 -2.00 0.00 0.00 55.36 52.99 1upc s GLN 108 Cb -0.17 0.29 -0.11 0.00 0.80 0.00 0.00 33.01 33.82 1upc s GLN 108 CO 0.56 -0.21 0.31 0.43 -0.50 0.00 0.00 175.29 175.89 1upc n SER 109 N 0.39 -1.89 -4.53 6.67 7.64 -1.26 -1.58 113.62 119.05 1upc n SER 109 Ca -0.17 0.72 -0.52 0.00 1.01 0.00 0.00 58.87 59.92 1upc n SER 109 Cb 0.60 -1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 1upc n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upc n GLU 110 N 0.51 0.70 -0.28 1.43 4.71 -1.26 -4.04 120.64 122.41 1upc n GLU 110 Ca 0.10 0.25 0.08 0.00 -0.01 0.00 0.00 57.16 57.58 1upc n GLU 110 Cb 0.47 -1.70 0.19 0.00 -1.01 0.00 0.00 31.44 29.39 1upc n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upc h SER 111 N 3.12 -0.33 0.64 1.62 4.64 -1.90 0.21 113.55 121.55 1upc h SER 111 Ca -0.44 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1upc h SER 111 Cb 1.38 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1upc h SER 111 CO 0.68 -0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 1upc n HIS 112 N -5.35 0.36 -1.20 4.77 1.44 -1.26 -3.06 115.22 110.92 1upc n HIS 112 Ca 0.16 0.14 0.07 0.00 -2.01 0.00 0.00 57.72 56.08 1upc n HIS 112 Cb 0.54 -0.72 0.19 0.00 0.12 0.00 0.00 29.99 30.12 1upc n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upc n ASP 113 N -1.83 2.69 -4.50 4.39 2.03 0.72 -4.97 116.55 115.08 1upc n ASP 113 Ca 0.03 -3.32 -0.42 0.00 0.52 0.00 0.00 54.79 51.60 1upc n ASP 113 Cb 0.21 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 40.06 1upc n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upc s ILE 114 N -2.99 4.10 -0.43 5.18 1.01 -1.12 -4.77 121.20 122.19 1upc s ILE 114 Ca 0.38 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1upc s ILE 114 Cb 0.33 -4.75 0.14 0.00 0.01 0.00 0.00 42.46 38.19 1upc s ILE 114 CO 0.02 -1.55 0.25 -0.36 0.00 0.00 0.00 174.94 173.30 1upc s PHE 115 N 4.68 1.74 0.19 3.97 0.08 -1.26 -5.06 117.98 122.33 1upc s PHE 115 Ca 0.29 -2.30 -0.33 0.00 0.12 0.00 0.00 56.93 54.71 1upc s PHE 115 Cb -0.13 -1.67 -0.14 0.00 -0.57 0.00 0.00 43.02 40.51 1upc s PHE 115 CO 0.14 -0.79 1.48 -2.30 -0.10 0.00 0.00 175.22 173.65 1upc n PRO 116 N 3.54 1.99 -1.06 0.24 -0.02 -1.26 -1.32 135.00 137.11 1upc n PRO 116 Ca 0.11 0.71 -0.02 0.00 -2.02 0.00 0.00 63.50 62.28 1upc n PRO 116 Cb 0.36 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1upc n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upc n ASN 117 N 2.79 -4.25 0.01 2.55 3.02 0.13 -4.76 115.26 114.75 1upc n ASN 117 Ca 0.15 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1upc n ASN 117 Cb 0.29 -1.92 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 1upc n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upc n ASP 118 N -0.22 0.05 -4.77 6.41 8.00 -0.43 -5.05 116.55 120.53 1upc n ASP 118 Ca -0.02 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 1upc n ASP 118 Cb 0.23 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1upc n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upc s THR 119 N -2.00 2.26 -0.12 -3.53 2.01 -0.47 -4.88 115.64 108.91 1upc s THR 119 Ca 0.00 0.26 -0.39 0.00 0.31 0.00 0.00 61.69 61.86 1upc s THR 119 Cb 0.00 -3.16 -0.17 0.00 0.01 0.00 0.00 72.50 69.18 1upc s THR 119 CO 0.00 0.06 1.51 1.57 -0.69 0.00 0.00 174.62 177.07 1upc n HIS 120 N 0.76 1.69 -1.24 4.92 -0.00 -1.26 -1.66 115.22 118.44 1upc n HIS 120 Ca 0.01 0.67 -0.08 0.00 0.46 0.00 0.00 57.72 58.78 1upc n HIS 120 Cb 0.40 -2.36 -0.04 0.00 -0.12 0.00 0.00 29.99 27.87 1upc n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upc n GLN 121 N 3.77 -1.58 -3.46 1.57 6.02 -1.26 -4.94 117.38 117.50 1upc n GLN 121 Ca 0.23 0.76 -0.39 0.00 -0.01 0.00 0.00 57.00 57.59 1upc n GLN 121 Cb 0.14 -5.08 -0.10 0.00 1.02 0.00 0.00 30.24 26.22 1upc n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upc s LEU 123 N 1.95 2.50 -1.27 0.00 1.43 -1.26 -0.69 118.68 121.34 1upc s LEU 123 Ca 0.12 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 1upc s LEU 123 Cb -0.16 -0.90 0.10 0.00 0.03 0.00 0.00 46.19 45.26 1upc s LEU 123 CO 0.10 -0.03 1.66 -0.62 0.23 0.00 0.00 176.35 177.69 1upc s ASP 124 N -3.01 6.89 0.19 2.29 -1.08 -1.26 -4.81 116.67 115.89 1upc s ASP 124 Ca 0.21 -2.57 -0.12 0.00 -0.52 0.00 0.00 52.55 49.55 1upc s ASP 124 Cb -0.05 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.03 1upc s ASP 124 CO 0.09 -1.07 1.83 0.28 0.52 0.00 0.00 175.17 176.82 1upc h SER 125 N 7.50 0.61 -0.45 -0.34 0.02 -1.98 -1.34 113.55 117.58 1upc h SER 125 Ca 0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1upc h SER 125 Cb 0.87 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1upc h SER 125 CO 1.40 0.42 0.03 0.58 -1.14 0.00 0.00 176.83 178.13 1upc h VAL 126 N 0.74 1.26 -0.65 2.27 2.07 -1.92 -1.11 116.25 118.90 1upc h VAL 126 Ca 0.25 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1upc h VAL 126 Cb 0.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1upc h VAL 126 CO -0.10 0.34 0.25 0.00 0.02 0.00 0.00 177.57 178.08 1upc h ALA 127 N 0.92 1.21 -0.11 1.67 0.00 -1.84 0.44 119.26 121.55 1upc h ALA 127 Ca 0.13 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1upc h ALA 127 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1upc h ALA 127 CO 0.02 0.57 -0.70 0.82 0.00 0.00 0.00 179.25 179.96 1upc h ILE 128 N 0.95 1.35 0.00 0.00 2.04 -0.84 -3.35 117.51 117.66 1upc h ILE 128 Ca 0.22 -2.04 -0.09 0.00 1.00 0.00 0.00 64.86 63.95 1upc h ILE 128 Cb 0.20 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1upc h ILE 128 CO -0.02 0.62 -1.77 0.52 0.00 0.00 0.00 178.15 177.50 1upc n VAL 129 N -3.88 0.56 -0.26 1.67 0.31 -0.46 -4.41 118.33 111.86 1upc n VAL 129 Ca -0.04 -0.60 0.07 0.00 -0.01 0.00 0.00 64.34 63.75 1upc n VAL 129 Cb 0.69 -0.27 0.20 0.00 -0.91 0.00 0.00 33.84 33.55 1upc n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upc h ALA 130 N 1.73 1.09 0.00 3.52 0.00 -1.03 -1.31 119.26 123.25 1upc h ALA 130 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1upc h ALA 130 Cb 1.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1upc h ALA 130 CO 0.01 -0.27 0.00 -1.35 0.00 0.00 0.00 179.25 177.65 1upc h PRO 131 N 0.39 0.00 -0.23 0.00 0.11 -1.77 -3.19 132.00 127.31 1upc h PRO 131 Ca 0.44 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.40 1upc h PRO 131 Cb 0.72 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.72 1upc h PRO 131 CO -0.45 0.00 -0.46 0.00 -0.21 0.00 0.00 178.00 176.88 1upc n MET 132 N -2.50 2.03 -3.86 1.05 0.00 -0.51 -5.04 117.12 108.29 1upc n MET 132 Ca 0.01 -3.45 -0.09 0.00 0.00 0.00 0.00 57.70 54.17 1upc n MET 132 Cb 0.21 -1.79 -0.06 0.00 0.00 0.00 0.00 33.22 31.57 1upc n MET 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1upc s SER 133 N -3.15 -0.01 0.32 3.17 1.04 -1.14 -4.56 113.70 109.37 1upc s SER 133 Ca 0.42 -0.69 0.17 0.00 0.48 0.00 0.00 55.95 56.33 1upc s SER 133 Cb 0.39 0.43 0.20 0.00 0.10 0.00 0.00 66.02 67.14 1upc s SER 133 CO -0.04 -0.86 1.51 0.11 0.98 0.00 0.00 173.24 174.95 1upc h LYS 134 N 2.54 0.00 -1.69 4.02 1.79 -0.93 -3.47 116.57 118.83 1upc h LYS 134 Ca -0.32 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.22 1upc h LYS 134 Cb 1.23 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.63 1upc h LYS 134 CO 0.49 0.42 0.28 -0.47 -1.08 0.00 0.00 179.45 179.09 1upc s TYR 135 N -3.08 -0.71 -0.10 -1.35 5.04 -1.25 -4.94 117.35 110.95 1upc s TYR 135 Ca 0.04 1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 56.08 1upc s TYR 135 Cb 0.08 0.43 0.04 0.00 0.35 0.00 0.00 41.96 42.86 1upc s TYR 135 CO 0.72 -0.35 0.23 0.00 -1.34 0.00 0.00 175.55 174.81 1upc s ALA 136 N 1.24 -0.52 0.06 3.97 0.00 -1.26 -0.02 121.76 125.23 1upc s ALA 136 Ca -0.07 0.93 -0.21 0.00 0.00 0.00 0.00 51.96 52.61 1upc s ALA 136 Cb -0.04 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1upc s ALA 136 CO -0.15 -0.19 0.50 0.54 0.00 0.00 0.00 175.76 176.46 1upc s VAL 137 N 1.16 0.04 -0.14 0.00 0.11 -0.83 -4.99 120.40 115.75 1upc s VAL 137 Ca -0.09 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1upc s VAL 137 Cb -0.10 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1upc s VAL 137 CO -0.08 -0.16 -0.04 -0.70 -3.33 0.00 0.00 175.10 170.79 1upc s GLU 138 N -2.64 3.51 0.30 1.54 2.12 -1.26 -0.40 118.70 121.87 1upc s GLU 138 Ca -0.04 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 1upc s GLU 138 Cb -0.00 -2.87 -0.11 0.00 0.26 0.00 0.00 34.13 31.41 1upc s GLU 138 CO -0.03 0.33 1.45 -1.17 -0.54 0.00 0.00 175.26 175.30 1upc s LEU 139 N 0.12 4.37 0.00 2.70 2.96 -0.15 -4.93 118.68 123.76 1upc s LEU 139 Ca -0.01 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1upc s LEU 139 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1upc s LEU 139 CO 0.03 -0.74 0.00 0.00 -1.32 0.00 0.00 176.35 174.32 1upc n GLN 140 N 1.61 0.21 -3.95 1.98 6.02 -1.26 -4.65 117.38 117.34 1upc n GLN 140 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.75 1upc n GLN 140 Cb 0.40 -0.80 -0.16 0.00 1.02 0.00 0.00 30.24 30.69 1upc n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upc s ARG 141 N -1.61 1.79 0.31 -1.09 0.52 -1.26 -5.05 118.95 112.57 1upc s ARG 141 Ca 0.00 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1upc s ARG 141 Cb 0.00 -2.00 0.83 0.00 0.52 0.00 0.00 34.95 34.31 1upc s ARG 141 CO 0.00 -0.34 1.63 -1.35 0.02 0.00 0.00 175.30 175.26 1upc h PRO 142 N 8.09 0.16 0.00 3.54 0.11 -1.85 -1.56 132.00 140.49 1upc h PRO 142 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1upc h PRO 142 Cb 1.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1upc h PRO 142 CO 0.45 0.11 0.00 -2.39 -0.21 0.00 0.00 178.00 175.96 1upc n HIS 143 N -5.25 0.69 1.14 0.65 1.44 -1.26 -2.62 115.22 110.01 1upc n HIS 143 Ca 0.25 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.35 1upc n HIS 143 Cb 0.80 -0.92 0.64 0.00 0.12 0.00 0.00 29.99 30.63 1upc n HIS 143 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1upc n GLU 144 N -2.12 0.23 -0.08 -1.40 1.02 -0.59 -3.73 120.64 113.97 1upc n GLU 144 Ca 0.03 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1upc n GLU 144 Cb 0.25 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.65 1upc n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upc h ILE 145 N 0.00 0.93 0.02 -3.67 6.09 -1.68 -0.81 117.51 118.39 1upc h ILE 145 Ca 0.00 -0.16 0.03 0.00 -1.37 0.00 0.00 64.86 63.36 1upc h ILE 145 Cb 0.34 0.43 -0.04 0.00 0.47 0.00 0.00 36.82 38.03 1upc h ILE 145 CO 0.00 0.08 -0.21 0.74 -3.07 0.00 0.00 178.15 175.70 1upc h THR 146 N 0.46 0.52 0.00 2.19 2.02 -1.84 -0.34 112.91 115.92 1upc h THR 146 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1upc h THR 146 Cb 0.44 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1upc h THR 146 CO -0.08 0.00 0.00 -2.24 0.37 0.00 0.00 175.52 173.57 1upc h ASP 147 N -0.34 0.00 0.04 4.18 3.04 -1.45 -2.38 116.42 119.51 1upc h ASP 147 Ca 0.05 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.65 1upc h ASP 147 Cb 0.41 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.72 1upc h ASP 147 CO -0.18 0.00 -0.78 -0.07 -2.04 0.00 0.00 179.24 176.17 1upc h LEU 148 N 0.00 0.62 -0.55 0.15 3.38 -0.85 -0.95 115.31 117.11 1upc h LEU 148 Ca 0.00 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.20 1upc h LEU 148 Cb 0.59 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1upc h LEU 148 CO 0.00 1.34 0.33 0.58 0.09 0.00 0.00 178.44 180.79 1upc h VAL 149 N -0.02 1.06 -0.76 1.22 2.07 -0.91 0.13 116.25 119.04 1upc h VAL 149 Ca -0.11 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1upc h VAL 149 Cb 1.49 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1upc h VAL 149 CO 0.15 0.12 0.29 0.44 0.02 0.00 0.00 177.57 178.59 1upc h ASP 150 N 0.66 1.06 0.37 0.57 3.32 -1.42 -1.53 116.42 119.45 1upc h ASP 150 Ca 0.22 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1upc h ASP 150 Cb 0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1upc h ASP 150 CO -0.09 0.95 -0.49 0.28 -1.72 0.00 0.00 179.24 178.17 1upc h SER 151 N 1.11 0.16 -0.15 6.45 0.02 -0.72 -0.87 113.55 119.55 1upc h SER 151 Ca 0.25 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1upc h SER 151 Cb 0.23 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1upc h SER 151 CO -0.02 0.63 0.02 0.00 -1.14 0.00 0.00 176.83 176.33 1upc h ALA 152 N 1.37 0.20 -0.60 3.77 0.00 -0.62 -2.01 119.26 121.38 1upc h ALA 152 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1upc h ALA 152 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1upc h ALA 152 CO 0.07 -0.14 0.32 0.28 0.00 0.00 0.00 179.25 179.79 1upc h VAL 153 N 0.02 1.19 -0.61 0.00 2.07 -1.20 -0.54 116.25 117.20 1upc h VAL 153 Ca 0.04 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1upc h VAL 153 Cb 0.31 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1upc h VAL 153 CO 0.00 0.21 0.24 0.78 0.02 0.00 0.00 177.57 178.83 1upc h ASN 154 N 0.81 0.27 1.03 0.57 2.35 -1.01 -0.37 115.58 119.23 1upc h ASN 154 Ca 0.21 0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.84 1upc h ASN 154 Cb 0.05 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1upc h ASN 154 CO -0.03 0.16 -0.91 0.00 -1.65 0.00 0.00 177.43 175.00 1upc h ALA 155 N 1.40 0.43 -0.09 -0.83 0.00 -1.11 -3.21 119.26 115.84 1upc h ALA 155 Ca 0.30 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 1upc h ALA 155 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1upc h ALA 155 CO -0.28 1.14 -0.57 0.00 0.00 0.00 0.00 179.25 179.53 1upc h ALA 156 N 1.09 0.85 -0.82 0.00 0.00 -0.77 -3.17 119.26 116.42 1upc h ALA 156 Ca -0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.04 1upc h ALA 156 Cb 1.68 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 19.18 1upc h ALA 156 CO 0.12 0.71 0.43 -1.33 0.00 0.00 0.00 179.25 179.17 1upc n MET 157 N -3.90 2.99 -5.00 0.00 2.00 -0.18 -2.18 117.12 110.85 1upc n MET 157 Ca -0.02 -2.91 -0.32 0.00 0.00 0.00 0.00 57.70 54.45 1upc n MET 157 Cb 0.60 -2.16 -0.16 0.00 0.00 0.00 0.00 33.22 31.51 1upc n MET 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1upc s THR 158 N -2.99 2.56 0.37 2.03 2.01 -1.20 -0.89 115.64 117.53 1upc s THR 158 Ca 0.53 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1upc s THR 158 Cb 0.44 -2.03 -0.09 0.00 0.01 0.00 0.00 72.50 70.83 1upc s THR 158 CO 0.12 0.55 1.29 -1.61 -0.69 0.00 0.00 174.62 174.27 1upc s GLU 159 N 0.27 4.17 -0.06 4.92 0.41 0.57 -2.75 118.70 126.22 1upc s GLU 159 Ca -0.13 2.15 -0.30 0.00 -0.41 0.00 0.00 54.97 56.28 1upc s GLU 159 Cb -0.16 -2.90 -0.04 0.00 -1.78 0.00 0.00 34.13 29.25 1upc s GLU 159 CO 0.07 -0.32 1.34 -1.25 -0.49 0.00 0.00 175.26 174.60 1upc s PRO 160 N -2.02 4.28 0.84 0.39 0.04 -1.26 -4.83 135.00 132.43 1upc s PRO 160 Ca 0.53 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1upc s PRO 160 Cb -0.38 -3.66 0.10 0.00 0.04 0.00 0.00 34.50 30.60 1upc s PRO 160 CO 0.50 -0.60 1.18 0.14 0.04 0.00 0.00 177.00 178.25 1upc s VAL 161 N 2.81 2.14 -0.13 -0.36 -7.23 -1.11 -4.96 120.40 111.56 1upc s VAL 161 Ca 0.60 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1upc s VAL 161 Cb -0.27 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1upc s VAL 161 CO 0.22 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1upc n GLY 162 N 0.29 -1.14 3.83 2.32 0.00 -0.93 -3.74 105.19 105.81 1upc n GLY 162 Ca 0.13 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1upc n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upc s PRO 163 N -1.79 4.13 -0.04 1.61 0.04 -1.21 -3.37 135.00 134.37 1upc s PRO 163 Ca 0.00 0.70 0.06 0.00 0.04 0.00 0.00 61.00 61.80 1upc s PRO 163 Cb 0.00 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1upc s PRO 163 CO 0.00 0.45 -0.21 -1.12 0.04 0.00 0.00 177.00 176.16 1upc s SER 164 N -1.62 3.43 -0.08 6.66 0.01 -0.23 -0.25 113.70 121.62 1upc s SER 164 Ca 0.39 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.33 1upc s SER 164 Cb -0.16 -0.68 -0.00 0.00 0.21 0.00 0.00 66.02 65.39 1upc s SER 164 CO 0.20 0.31 -0.24 0.12 0.41 0.00 0.00 173.24 174.03 1upc s PHE 165 N -0.51 2.51 -0.14 2.43 5.36 0.97 -0.22 117.98 128.37 1upc s PHE 165 Ca 0.07 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.14 1upc s PHE 165 Cb -0.11 -1.66 0.02 0.00 -0.34 0.00 0.00 43.02 40.93 1upc s PHE 165 CO 0.01 -0.33 -0.14 0.42 -1.46 0.00 0.00 175.22 173.71 1upc s ILE 166 N 0.12 1.57 -0.01 3.12 1.01 -0.70 -1.96 121.20 124.33 1upc s ILE 166 Ca -0.12 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 1upc s ILE 166 Cb -0.16 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1upc s ILE 166 CO 0.07 0.46 0.60 -0.55 0.00 0.00 0.00 174.94 175.51 1upc s SER 167 N 1.41 6.96 -0.42 3.58 0.15 0.47 -2.57 113.70 123.28 1upc s SER 167 Ca 0.03 1.15 0.02 0.00 0.70 0.00 0.00 55.95 57.85 1upc s SER 167 Cb -0.13 -2.36 0.12 0.00 -1.71 0.00 0.00 66.02 61.94 1upc s SER 167 CO -0.09 0.08 0.18 -0.76 1.20 0.00 0.00 173.24 173.85 1upc s LEU 168 N -0.10 3.44 0.31 3.45 1.43 0.70 -0.97 118.68 126.94 1upc s LEU 168 Ca 0.31 -2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 50.67 1upc s LEU 168 Cb -0.18 -1.28 -0.12 0.00 0.03 0.00 0.00 46.19 44.64 1upc s LEU 168 CO 0.17 -0.31 1.40 -2.65 0.23 0.00 0.00 176.35 175.19 1upc n PRO 169 N 3.81 2.28 -0.08 1.29 -0.02 -1.26 -0.77 135.00 140.25 1upc n PRO 169 Ca 0.05 0.80 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1upc n PRO 169 Cb 0.37 -2.46 0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1upc n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upc h VAL 170 N 2.86 1.25 -0.33 -1.45 2.07 -1.43 -0.97 116.25 118.26 1upc h VAL 170 Ca -0.47 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1upc h VAL 170 Cb 1.27 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1upc h VAL 170 CO 0.69 0.39 0.09 -2.24 0.02 0.00 0.00 177.57 176.52 1upc h ASP 171 N 0.66 0.48 -0.25 0.57 2.03 -1.88 -2.71 116.42 115.33 1upc h ASP 171 Ca 0.11 -0.22 -0.14 0.00 -0.73 0.00 0.00 57.03 56.06 1upc h ASP 171 Cb 0.58 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 1upc h ASP 171 CO 0.04 0.57 -0.34 -0.07 -1.03 0.00 0.00 179.24 178.41 1upc h LEU 172 N 0.37 0.80 -1.39 0.15 3.38 -1.84 -2.76 115.31 114.02 1upc h LEU 172 Ca 0.10 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.83 1upc h LEU 172 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1upc h LEU 172 CO -0.00 1.07 0.50 0.25 0.09 0.00 0.00 178.44 180.35 1upc h LEU 173 N 0.64 0.61 -3.54 1.67 5.85 -1.15 -2.51 115.31 116.88 1upc h LEU 173 Ca 0.07 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1upc h LEU 173 Cb 0.88 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1upc h LEU 173 CO 0.08 0.36 0.06 0.61 -0.34 0.00 0.00 178.44 179.21 1upc n GLY 174 N -1.46 3.41 3.61 3.75 0.00 -1.03 -1.82 105.19 111.65 1upc n GLY 174 Ca 0.13 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1upc n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upc s SER 175 N -1.12 4.77 0.00 1.61 0.15 -0.95 -4.86 113.70 113.30 1upc s SER 175 Ca 0.52 -0.03 0.23 0.00 0.70 0.00 0.00 55.95 57.37 1upc s SER 175 Cb 0.41 -1.20 0.65 0.00 -1.71 0.00 0.00 66.02 64.16 1upc s SER 175 CO 0.14 0.33 1.54 -1.54 1.20 0.00 0.00 173.24 174.91 1upc n SER 176 N 1.93 3.96 -4.68 5.45 3.41 -1.26 -1.79 113.62 120.63 1upc n SER 176 Ca -0.17 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 1upc n SER 176 Cb 0.53 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1upc n SER 176 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1upc s GLU 177 N -1.03 4.19 0.00 4.33 2.12 -1.26 -2.06 118.70 124.99 1upc s GLU 177 Ca 0.49 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.13 1upc s GLU 177 Cb 0.26 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1upc s GLU 177 CO 0.34 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1upc n GLY 178 N 4.04 0.72 3.34 -1.50 0.00 -1.26 -3.98 105.19 106.55 1upc n GLY 178 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1upc n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upc s ILE 179 N -2.78 4.71 0.00 -0.61 1.01 -0.87 -4.72 121.20 117.95 1upc s ILE 179 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1upc s ILE 179 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1upc s ILE 179 CO 0.00 -0.47 0.00 0.47 0.00 0.00 0.00 174.94 174.94 1upc n ASP 180 N 5.05 0.03 -3.86 3.58 9.92 -1.26 -5.01 116.55 125.00 1upc n ASP 180 Ca -0.11 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.04 1upc n ASP 180 Cb 0.44 -0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.80 1upc n ASP 180 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1upc s ASN 185 N -5.02 -0.04 0.77 -2.24 -0.87 -1.26 -5.18 114.94 101.10 1upc s ASN 185 Ca 0.00 0.02 -0.11 0.00 -1.57 0.00 0.00 52.86 51.20 1upc s ASN 185 Cb 0.00 0.23 0.05 0.00 -0.02 0.00 0.00 41.25 41.52 1upc s ASN 185 CO 0.00 -0.19 1.08 -2.16 -2.57 0.00 0.00 177.10 173.26 1upc s PRO 186 N -0.62 2.29 0.47 -0.60 0.04 -1.26 -5.00 135.00 130.32 1upc s PRO 186 Ca -0.07 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 61.54 1upc s PRO 186 Cb -0.04 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1upc s PRO 186 CO 0.01 -1.52 1.30 -1.25 0.04 0.00 0.00 177.00 175.58 1upc s PRO 187 N -5.07 3.62 0.10 0.56 0.04 -1.26 -4.96 135.00 128.03 1upc s PRO 187 Ca 0.60 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 1upc s PRO 187 Cb -0.15 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.81 1upc s PRO 187 CO 0.55 -0.77 1.44 0.00 0.04 0.00 0.00 177.00 178.26 1upc h ALA 188 N 2.11 0.43 -6.25 8.56 0.00 -1.95 -3.48 119.26 118.68 1upc h ALA 188 Ca -0.50 -0.38 -0.46 0.00 0.00 0.00 0.00 54.91 53.57 1upc h ALA 188 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1upc h ALA 188 CO 0.60 0.40 -0.78 0.09 0.00 0.00 0.00 179.25 179.57 1upc n ASN 189 N -4.31 -3.80 -4.68 0.00 3.02 -1.26 -4.91 115.26 99.32 1upc n ASN 189 Ca -0.03 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1upc n ASN 189 Cb 0.44 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.67 1upc n ASN 189 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upc s THR 190 N -3.41 2.82 0.23 3.41 2.01 -1.26 -4.92 115.64 114.52 1upc s THR 190 Ca 0.48 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 62.38 1upc s THR 190 Cb -0.24 -3.14 -0.13 0.00 0.01 0.00 0.00 72.50 69.00 1upc s THR 190 CO 0.83 -0.00 1.51 -2.65 -0.69 0.00 0.00 174.62 173.61 1upc n PRO 191 N 6.03 2.27 0.14 4.92 -0.02 -1.26 -4.86 135.00 142.22 1upc n PRO 191 Ca 0.17 0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 62.46 1upc n PRO 191 Cb 0.40 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.54 1upc n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upc h ALA 192 N 4.90 1.04 -2.47 3.55 0.00 -1.93 -3.45 119.26 120.89 1upc h ALA 192 Ca -0.45 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 1upc h ALA 192 Cb 1.25 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1upc h ALA 192 CO 0.81 0.72 -0.45 -1.59 0.00 0.00 0.00 179.25 178.73 1upc s LYS 193 N -3.72 0.75 0.46 0.00 -2.85 -1.26 -4.92 119.74 108.20 1upc s LYS 193 Ca -0.02 -0.95 -0.23 0.00 -1.00 0.00 0.00 55.97 53.77 1upc s LYS 193 Cb 0.13 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 1upc s LYS 193 CO 0.76 -0.21 1.04 -2.30 0.10 0.00 0.00 175.35 174.73 1upc n PRO 194 N 0.15 1.34 -2.85 1.78 -0.02 -1.26 -4.97 135.00 129.17 1upc n PRO 194 Ca -0.16 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 1upc n PRO 194 Cb 0.61 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1upc n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upc s VAL 195 N -1.32 4.21 0.31 -1.45 1.01 -0.07 -4.91 120.40 118.17 1upc s VAL 195 Ca 0.66 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.59 1upc s VAL 195 Cb -0.52 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1upc s VAL 195 CO 0.55 0.51 0.15 -0.83 0.00 0.00 0.00 175.10 175.48 1upc s GLY 196 N -1.15 2.11 0.44 4.51 0.00 -1.26 -0.31 107.32 111.66 1upc s GLY 196 Ca 0.39 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1upc s GLY 196 CO 0.29 -1.62 0.64 -1.34 0.00 0.00 0.00 173.10 171.08 1upc s VAL 197 N -3.56 3.72 -0.21 1.40 -7.23 -0.19 -4.97 120.40 109.37 1upc s VAL 197 Ca 0.35 -0.66 -0.06 0.00 -1.81 0.00 0.00 61.98 59.80 1upc s VAL 197 Cb 0.05 -3.35 0.10 0.00 0.56 0.00 0.00 36.38 33.74 1upc s VAL 197 CO 0.17 -0.22 0.43 -0.69 -0.31 0.00 0.00 175.10 174.49 1upc s VAL 198 N -2.50 -0.68 0.43 1.32 1.01 -1.26 -3.64 120.40 115.08 1upc s VAL 198 Ca 0.50 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 1upc s VAL 198 Cb -0.10 -0.72 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1upc s VAL 198 CO 0.36 0.04 1.00 0.00 0.00 0.00 0.00 175.10 176.50 1upc s ALA 199 N 2.63 3.02 0.29 5.51 0.00 0.39 -4.97 121.76 128.63 1upc s ALA 199 Ca 0.01 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 1upc s ALA 199 Cb -0.13 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1upc s ALA 199 CO -0.14 -0.07 1.33 0.34 0.00 0.00 0.00 175.76 177.22 1upc s ASP 200 N -1.92 6.78 -0.31 0.00 2.15 -1.26 -3.34 116.67 118.77 1upc s ASP 200 Ca 0.61 2.63 0.00 0.00 0.43 0.00 0.00 52.55 56.22 1upc s ASP 200 Cb -0.15 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1upc s ASP 200 CO 0.19 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1upc n GLY 201 N 1.32 0.59 0.12 2.66 0.00 -1.26 -4.96 105.19 103.65 1upc n GLY 201 Ca 0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 1upc n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upc h TRP 202 N 0.00 0.09 -0.56 1.61 5.08 -1.88 -2.10 115.95 118.19 1upc h TRP 202 Ca -0.06 -0.05 -0.03 0.00 1.08 0.00 0.00 58.89 59.83 1upc h TRP 202 Cb 0.25 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.37 1upc h TRP 202 CO 0.08 0.81 0.24 1.96 -1.28 0.00 0.00 178.44 180.26 1upc h GLN 203 N 0.04 0.82 -0.57 0.12 7.50 -1.93 -0.49 115.11 120.60 1upc h GLN 203 Ca -0.02 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 58.96 1upc h GLN 203 Cb 1.37 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.73 1upc h GLN 203 CO 0.11 0.69 0.18 -0.22 -1.50 0.00 0.00 178.83 178.09 1upc h LYS 204 N 0.75 0.84 -0.02 1.46 3.64 -1.95 -2.37 116.57 118.92 1upc h LYS 204 Ca 0.19 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1upc h LYS 204 Cb 0.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1upc h LYS 204 CO -0.02 0.73 -0.82 0.00 -2.27 0.00 0.00 179.45 177.06 1upc h ALA 205 N 1.38 0.54 0.00 5.00 0.00 -1.12 -2.31 119.26 122.75 1upc h ALA 205 Ca 0.19 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1upc h ALA 205 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upc h ALA 205 CO -0.01 0.84 -0.09 0.00 0.00 0.00 0.00 179.25 179.98 1upc h ALA 206 N 0.94 1.07 0.13 0.00 0.00 -0.95 -1.86 119.26 118.60 1upc h ALA 206 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 1upc h ALA 206 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1upc h ALA 206 CO 0.13 0.11 -1.41 -0.44 0.00 0.00 0.00 179.25 177.65 1upc h ASP 207 N 0.00 0.44 0.33 0.00 3.32 -1.22 -2.57 116.42 116.72 1upc h ASP 207 Ca -0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1upc h ASP 207 Cb 0.48 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1upc h ASP 207 CO 0.01 1.43 -0.16 1.56 -1.72 0.00 0.00 179.24 180.37 1upc h GLN 208 N 0.08 0.00 -0.05 3.56 4.20 -0.99 -1.77 115.11 120.14 1upc h GLN 208 Ca -0.20 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1upc h GLN 208 Cb 2.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.80 1upc h GLN 208 CO 0.19 0.16 -0.56 0.00 -0.67 0.00 0.00 178.83 177.95 1upc h ALA 209 N 1.84 0.13 -0.67 3.87 0.00 -1.34 -2.76 119.26 120.33 1upc h ALA 209 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1upc h ALA 209 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1upc h ALA 209 CO 0.02 0.37 0.39 0.00 0.00 0.00 0.00 179.25 180.03 1upc h ALA 210 N 0.40 1.41 -0.66 0.00 0.00 -1.17 0.07 119.26 119.31 1upc h ALA 210 Ca -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1upc h ALA 210 Cb 1.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1upc h ALA 210 CO 0.11 0.50 0.29 0.00 0.00 0.00 0.00 179.25 180.15 1upc h ALA 211 N 1.50 1.27 -0.04 0.00 0.00 -1.36 -1.27 119.26 119.35 1upc h ALA 211 Ca 0.24 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 211 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1upc h ALA 211 CO -0.04 0.55 -0.63 -0.07 0.00 0.00 0.00 179.25 179.06 1upc h LEU 212 N 0.94 0.19 -0.81 0.00 3.38 -1.00 -2.69 115.31 115.32 1upc h LEU 212 Ca 0.23 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1upc h LEU 212 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1upc h LEU 212 CO -0.02 0.76 -0.51 0.25 0.09 0.00 0.00 178.44 179.01 1upc h LEU 213 N 0.12 0.24 0.01 1.67 5.85 -0.64 -2.94 115.31 119.62 1upc h LEU 213 Ca -0.01 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1upc h LEU 213 Cb 1.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1upc h LEU 213 CO 0.09 0.71 -0.00 0.00 -0.34 0.00 0.00 178.44 178.90 1upc h ALA 214 N 1.30 -0.01 0.00 1.25 0.00 -1.20 -3.12 119.26 117.47 1upc h ALA 214 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1upc h ALA 214 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1upc h ALA 214 CO 0.08 -0.35 0.00 -0.85 0.00 0.00 0.00 179.25 178.12 1upc n GLU 215 N -4.95 0.87 -5.23 0.00 -0.00 -1.02 -4.83 120.64 105.48 1upc n GLU 215 Ca -0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.76 1upc n GLU 215 Cb 0.17 -1.16 -0.16 0.00 -0.00 0.00 0.00 31.44 30.29 1upc n GLU 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upc s ALA 216 N -1.63 2.22 -0.02 -1.84 0.00 -1.11 -5.05 121.76 114.33 1upc s ALA 216 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1upc s ALA 216 Cb 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 23.12 22.11 1upc s ALA 216 CO 0.00 0.44 0.80 0.87 0.00 0.00 0.00 175.76 177.87 1upc h LYS 217 N 5.95 0.42 -2.42 0.00 6.56 -1.88 -3.43 116.57 121.77 1upc h LYS 217 Ca -0.34 -0.72 -0.59 0.00 -1.06 0.00 0.00 60.65 57.94 1upc h LYS 217 Cb 1.17 0.27 -0.39 0.00 -0.57 0.00 0.00 32.23 32.70 1upc h LYS 217 CO 0.48 1.33 -0.89 0.72 -2.06 0.00 0.00 179.45 179.03 1upc n HIS 218 N -3.61 0.41 -2.25 -1.35 -0.00 -1.26 -4.04 115.22 103.12 1upc n HIS 218 Ca -0.21 -3.63 -0.29 0.00 -0.00 0.00 0.00 57.72 53.59 1upc n HIS 218 Cb 1.08 -0.11 0.01 0.00 -0.00 0.00 0.00 29.99 30.98 1upc n HIS 218 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1upc s PRO 219 N -0.71 3.36 0.05 -0.41 0.04 -1.26 -1.81 135.00 134.26 1upc s PRO 219 Ca 0.32 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.70 1upc s PRO 219 Cb 0.06 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1upc s PRO 219 CO -0.16 -0.52 0.04 0.14 0.04 0.00 0.00 177.00 176.54 1upc s VAL 220 N -3.01 0.17 -0.34 -0.36 -7.23 -0.46 -4.29 120.40 104.89 1upc s VAL 220 Ca 0.52 -1.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1upc s VAL 220 Cb -0.11 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.67 1upc s VAL 220 CO 0.49 -0.79 0.12 -0.76 -0.31 0.00 0.00 175.10 173.85 1upc s LEU 221 N -2.55 4.36 -0.43 1.32 1.43 -0.07 -1.77 118.68 120.96 1upc s LEU 221 Ca 0.01 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.81 1upc s LEU 221 Cb 0.03 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1upc s LEU 221 CO -0.08 -0.33 0.59 -0.69 0.23 0.00 0.00 176.35 176.08 1upc s VAL 222 N 1.43 4.89 -0.14 -1.59 1.01 -0.38 0.13 120.40 125.75 1upc s VAL 222 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1upc s VAL 222 Cb -0.19 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1upc s VAL 222 CO 0.03 -0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 173.88 1upc s VAL 223 N 2.66 4.18 0.36 2.92 1.01 0.88 -0.32 120.40 132.08 1upc s VAL 223 Ca 0.20 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1upc s VAL 223 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1upc s VAL 223 CO 0.18 0.52 0.09 -0.83 0.00 0.00 0.00 175.10 175.06 1upc s GLY 224 N -0.03 2.10 0.58 4.51 0.00 -0.74 -1.83 107.32 111.91 1upc s GLY 224 Ca 0.03 -1.96 0.28 0.00 0.00 0.00 0.00 44.72 43.07 1upc s GLY 224 CO 0.02 -1.86 2.13 0.00 0.00 0.00 0.00 173.10 173.38 1upc h ALA 225 N 1.65 1.79 -0.05 3.20 0.00 -1.88 -1.14 119.26 122.83 1upc h ALA 225 Ca -0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1upc h ALA 225 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1upc h ALA 225 CO 0.67 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 179.70 1upc h ALA 226 N 1.82 1.96 -0.36 0.00 0.00 -1.90 0.10 119.26 120.88 1upc h ALA 226 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1upc h ALA 226 Cb 0.40 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1upc h ALA 226 CO -0.00 0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.30 1upc h ALA 227 N 1.97 1.36 -0.51 0.00 0.00 -1.42 -2.08 119.26 118.57 1upc h ALA 227 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1upc h ALA 227 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1upc h ALA 227 CO -0.00 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.37 1upc h ILE 228 N 0.53 1.27 -0.31 0.00 2.04 -1.12 -2.42 117.51 117.50 1upc h ILE 228 Ca 0.11 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 1upc h ILE 228 Cb 0.32 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1upc h ILE 228 CO 0.01 0.45 -0.14 0.03 0.00 0.00 0.00 178.15 178.51 1upc h ARG 229 N 0.87 0.53 0.00 2.37 3.08 -1.23 -2.57 114.38 117.42 1upc h ARG 229 Ca 0.13 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1upc h ARG 229 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1upc h ARG 229 CO 0.05 0.66 0.00 0.45 -1.07 0.00 0.00 179.97 180.06 1upc n SER 230 N -4.19 0.00 -0.99 7.04 2.88 -0.80 -4.64 113.62 112.93 1upc n SER 230 Ca 0.01 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.83 1upc n SER 230 Cb 0.34 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1upc n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upc n GLY 231 N -0.19 0.56 1.09 0.46 0.00 -0.97 -4.59 105.19 101.56 1upc n GLY 231 Ca 0.04 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1upc n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc n ALA 232 N -0.15 2.61 0.16 4.61 0.00 -0.92 -4.65 120.51 122.17 1upc n ALA 232 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.20 1upc n ALA 232 Cb 0.47 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1upc n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upc h VAL 233 N 3.12 0.25 -0.79 0.00 2.07 -1.90 -1.01 116.25 117.98 1upc h VAL 233 Ca 0.00 -0.71 0.15 0.00 0.82 0.00 0.00 66.70 66.96 1upc h VAL 233 Cb 0.87 0.40 -0.15 0.00 -1.52 0.00 0.00 31.29 30.90 1upc h VAL 233 CO 0.06 0.06 -0.26 -0.65 0.02 0.00 0.00 177.57 176.80 1upc h PRO 234 N -1.06 -0.04 -0.81 1.57 0.11 -1.91 -1.02 132.00 128.85 1upc h PRO 234 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1upc h PRO 234 Cb 0.46 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 1upc h PRO 234 CO 0.08 -0.02 0.47 0.00 -0.21 0.00 0.00 178.00 178.31 1upc h ALA 235 N 1.57 1.29 -0.32 -0.75 0.00 -1.85 -1.98 119.26 117.22 1upc h ALA 235 Ca 0.35 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1upc h ALA 235 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1upc h ALA 235 CO -0.83 0.59 -0.37 0.82 0.00 0.00 0.00 179.25 179.47 1upc h ILE 236 N 1.13 1.28 0.34 0.00 2.04 -0.32 -2.50 117.51 119.49 1upc h ILE 236 Ca 0.29 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 1upc h ILE 236 Cb -0.01 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1upc h ILE 236 CO -0.05 0.50 -0.32 -0.09 0.00 0.00 0.00 178.15 178.18 1upc h ARG 237 N 0.62 -0.66 -0.83 2.37 2.43 -0.51 -2.16 114.38 115.64 1upc h ARG 237 Ca 0.06 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.46 1upc h ARG 237 Cb 0.91 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.49 1upc h ARG 237 CO 0.08 -0.44 0.33 0.00 -1.51 0.00 0.00 179.97 178.43 1upc h ALA 238 N -0.18 1.24 -0.05 2.80 0.00 -1.37 0.85 119.26 122.56 1upc h ALA 238 Ca -0.02 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1upc h ALA 238 Cb 0.62 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1upc h ALA 238 CO -0.05 -0.29 -0.59 1.25 0.00 0.00 0.00 179.25 179.57 1upc h LEU 239 N 0.40 0.17 0.01 0.00 5.85 -1.24 -1.62 115.31 118.89 1upc h LEU 239 Ca 0.49 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.94 1upc h LEU 239 Cb 0.86 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.85 1upc h LEU 239 CO -0.49 0.72 -0.68 0.00 -0.34 0.00 0.00 178.44 177.65 1upc h ALA 240 N 1.28 0.07 0.65 1.25 0.00 -0.60 -2.66 119.26 119.25 1upc h ALA 240 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1upc h ALA 240 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1upc h ALA 240 CO 0.09 0.40 -0.33 0.93 0.00 0.00 0.00 179.25 180.33 1upc h GLU 241 N -0.05 -0.87 -0.83 0.00 5.08 -0.82 0.28 114.58 117.36 1upc h GLU 241 Ca -0.09 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1upc h GLU 241 Cb 1.39 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.79 1upc h GLU 241 CO 0.13 -0.58 0.54 -0.09 -1.00 0.00 0.00 179.01 178.01 1upc h ARG 242 N -0.90 0.93 -0.19 2.33 2.43 -1.41 -2.68 114.38 114.88 1upc h ARG 242 Ca -0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1upc h ARG 242 Cb 0.70 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1upc h ARG 242 CO 0.13 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 180.48 1upc n LEU 243 N -4.47 2.91 -2.42 3.80 4.77 -1.00 -4.32 117.00 116.26 1upc n LEU 243 Ca 0.12 -1.28 -0.19 0.00 -0.03 0.00 0.00 56.01 54.63 1upc n LEU 243 Cb 0.17 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1upc n LEU 243 CO 0.34 0.58 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.71 1upc n ASN 244 N 1.15 -5.39 -4.73 -1.43 5.15 0.78 -1.72 115.26 109.07 1upc n ASN 244 Ca 0.14 -0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 1upc n ASN 244 Cb 0.51 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.40 1upc n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upc s ILE 245 N -3.02 5.14 0.49 -1.44 1.01 -0.07 -4.47 121.20 118.83 1upc s ILE 245 Ca 0.18 1.02 -0.22 0.00 0.00 0.00 0.00 60.65 61.62 1upc s ILE 245 Cb -0.08 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1upc s ILE 245 CO 0.22 0.34 1.23 -2.84 0.00 0.00 0.00 174.94 173.89 1upc s PRO 246 N 0.46 3.55 -0.37 2.79 0.02 -1.26 -4.70 135.00 135.48 1upc s PRO 246 Ca 0.27 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.18 1upc s PRO 246 Cb -0.16 -2.35 0.08 0.00 0.02 0.00 0.00 34.50 32.09 1upc s PRO 246 CO 0.12 -0.77 0.15 0.08 -0.33 0.00 0.00 177.00 176.25 1upc s VAL 247 N -1.47 3.48 -0.07 3.83 1.01 -0.24 -0.89 120.40 126.05 1upc s VAL 247 Ca 0.66 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1upc s VAL 247 Cb -0.32 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1upc s VAL 247 CO 0.39 -0.44 0.23 -0.63 0.00 0.00 0.00 175.10 174.65 1upc s ILE 248 N 1.26 5.35 0.38 2.22 1.01 0.12 -2.49 121.20 129.04 1upc s ILE 248 Ca 0.02 0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.13 1upc s ILE 248 Cb -0.22 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1upc s ILE 248 CO -0.01 0.57 -0.04 0.42 0.00 0.00 0.00 174.94 175.88 1upc s THR 249 N -1.08 2.09 0.99 2.92 -4.23 -1.06 -0.08 115.64 115.18 1upc s THR 249 Ca 0.19 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 1upc s THR 249 Cb -0.13 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.10 1upc s THR 249 CO 0.08 -0.10 1.34 0.42 -0.54 0.00 0.00 174.62 175.83 1upc s THR 250 N -2.68 2.00 0.28 3.99 -4.23 -0.76 -2.48 115.64 111.75 1upc s THR 250 Ca 0.34 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 1upc s THR 250 Cb 0.06 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.19 1upc s THR 250 CO 0.17 0.00 1.88 1.88 -0.54 0.00 0.00 174.62 178.02 1upc h TYR 251 N -1.73 1.17 -0.01 3.99 0.05 -1.83 -3.15 116.97 115.46 1upc h TYR 251 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1upc h TYR 251 Cb 1.22 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1upc h TYR 251 CO -1.41 0.59 -0.54 0.44 -1.05 0.00 0.00 178.16 176.19 1upc n ILE 252 N -4.51 0.00 1.66 -2.88 -5.35 -1.26 -3.98 119.36 103.04 1upc n ILE 252 Ca 0.15 -0.23 0.15 0.00 -0.27 0.00 0.00 62.75 62.56 1upc n ILE 252 Cb 0.20 1.18 0.79 0.00 -1.74 0.00 0.00 39.64 40.07 1upc n ILE 252 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upc n ALA 253 N -0.40 2.63 -1.61 -1.28 0.00 -1.19 -3.67 120.51 114.99 1upc n ALA 253 Ca 0.07 -0.21 -0.51 0.00 0.00 0.00 0.00 53.44 52.79 1upc n ALA 253 Cb 0.39 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1upc n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upc n LYS 254 N -0.99 1.39 -0.14 0.00 5.02 -1.24 -2.14 118.16 120.05 1upc n LYS 254 Ca 0.19 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1upc n LYS 254 Cb 0.20 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1upc n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upc n GLY 255 N 2.81 0.83 0.24 0.72 0.00 -1.26 -3.93 105.19 104.59 1upc n GLY 255 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1upc n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upc h VAL 256 N 0.00 0.56 -4.17 1.61 -1.51 -1.69 -2.54 116.25 108.52 1upc h VAL 256 Ca 0.00 -0.89 -0.69 0.00 -1.23 0.00 0.00 66.70 63.89 1upc h VAL 256 Cb 0.00 1.60 -0.25 0.00 -2.13 0.00 0.00 31.29 30.51 1upc h VAL 256 CO 0.00 0.18 -0.83 -0.76 -1.23 0.00 0.00 177.57 174.93 1upc s LEU 257 N -6.97 2.43 0.89 4.19 1.43 -1.26 -4.85 118.68 114.53 1upc s LEU 257 Ca -0.01 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1upc s LEU 257 Cb 0.11 -1.44 0.13 0.00 0.03 0.00 0.00 46.19 45.02 1upc s LEU 257 CO 0.61 0.28 1.11 -2.84 0.23 0.00 0.00 176.35 175.75 1upc s PRO 258 N -1.12 1.25 0.19 1.29 0.02 -1.26 -4.89 135.00 130.47 1upc s PRO 258 Ca 0.13 1.31 -0.31 0.00 0.02 0.00 0.00 61.00 62.14 1upc s PRO 258 Cb -0.10 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1upc s PRO 258 CO 0.03 -2.39 1.49 0.08 -0.33 0.00 0.00 177.00 175.88 1upc s VAL 259 N -2.74 2.75 0.00 3.83 1.01 -1.26 -2.81 120.40 121.18 1upc s VAL 259 Ca 0.65 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1upc s VAL 259 Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1upc s VAL 259 CO 0.58 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1upc n GLY 260 N 3.18 2.98 3.56 4.51 0.00 -1.26 -5.04 105.19 113.13 1upc n GLY 260 Ca 0.11 -0.39 -0.57 0.00 0.00 0.00 0.00 46.02 45.16 1upc n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upc n HIS 261 N 0.00 1.07 0.30 1.61 -0.00 -1.12 -4.81 115.22 112.26 1upc n HIS 261 Ca 0.00 0.91 0.18 0.00 -0.00 0.00 0.00 57.72 58.81 1upc n HIS 261 Cb 0.00 -2.19 0.97 0.00 -0.00 0.00 0.00 29.99 28.76 1upc n HIS 261 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1upc h GLU 262 N 3.84 0.00 -0.02 1.57 4.11 -1.96 -1.88 114.58 120.24 1upc h GLU 262 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1upc h GLU 262 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1upc h GLU 262 CO 0.73 0.03 -0.14 1.28 0.07 0.00 0.00 179.01 180.98 1upc n LEU 263 N -3.43 1.94 -4.56 3.06 4.77 -1.26 -4.75 117.00 112.77 1upc n LEU 263 Ca -0.02 -0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 54.94 1upc n LEU 263 Cb 0.14 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1upc n LEU 263 CO 0.25 0.33 1.43 0.21 -1.33 0.00 0.00 177.39 178.29 1upc s ASN 264 N -2.19 6.10 -0.02 -1.43 3.84 -0.71 -1.08 114.94 119.45 1upc s ASN 264 Ca 0.29 -1.15 0.05 0.00 0.21 0.00 0.00 52.86 52.26 1upc s ASN 264 Cb 0.20 -2.57 0.18 0.00 -0.55 0.00 0.00 41.25 38.51 1upc s ASN 264 CO 0.41 -1.87 1.04 -1.22 -2.79 0.00 0.00 177.10 172.67 1upc n TYR 265 N 10.32 0.34 -4.13 0.43 4.02 -1.04 -4.95 117.16 122.15 1upc n TYR 265 Ca 0.33 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1upc n TYR 265 Cb 0.50 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 1upc n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upc n GLY 266 N 0.61 -1.78 3.66 2.72 0.00 -1.26 -4.91 105.19 104.23 1upc n GLY 266 Ca 0.07 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 1upc n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc s ALA 267 N -1.13 3.21 0.01 4.61 0.00 -1.26 -2.56 121.76 124.64 1upc s ALA 267 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1upc s ALA 267 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1upc s ALA 267 CO 0.00 0.58 0.17 0.08 0.00 0.00 0.00 175.76 176.59 1upc s VAL 268 N -1.51 5.28 -0.26 0.00 1.01 -1.04 -4.81 120.40 119.09 1upc s VAL 268 Ca 0.26 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1upc s VAL 268 Cb -0.10 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1upc s VAL 268 CO 0.18 0.28 0.66 0.28 0.00 0.00 0.00 175.10 176.50 1upc s THR 269 N -1.35 -0.00 -1.13 3.92 -1.32 -1.26 -4.58 115.64 109.92 1upc s THR 269 Ca 0.29 0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.83 1upc s THR 269 Cb -0.13 -0.94 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1upc s THR 269 CO 0.20 0.00 1.13 0.61 -2.21 0.00 0.00 174.62 174.36 1upc n GLY 270 N 3.34 -0.62 0.25 6.08 0.00 -1.26 -1.05 105.19 111.92 1upc n GLY 270 Ca -0.16 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1upc n GLY 270 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1upc n TYR 271 N -1.43 0.00 0.06 1.61 4.02 -1.26 -4.38 117.16 115.78 1upc n TYR 271 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 1upc n TYR 271 Cb 0.06 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1upc n TYR 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1upc h MET 272 N 1.21 0.43 -0.04 -0.72 -0.00 -1.47 -1.75 114.93 112.58 1upc h MET 272 Ca 0.00 -0.44 -0.00 0.00 -0.00 0.00 0.00 59.70 59.26 1upc h MET 272 Cb 0.40 0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1upc h MET 272 CO 0.00 1.10 0.02 -0.44 -0.00 0.00 0.00 176.91 177.59 1upc h ASP 273 N 0.25 0.05 -0.64 -0.10 5.19 -1.79 -2.36 116.42 117.02 1upc h ASP 273 Ca -0.07 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 1upc h ASP 273 Cb 1.54 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 41.01 1upc h ASP 273 CO 0.16 0.12 0.29 1.23 -3.12 0.00 0.00 179.24 177.92 1upc h GLY 274 N -0.02 1.03 1.33 2.75 0.00 -1.51 -0.51 103.07 106.14 1upc h GLY 274 Ca 0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 47.33 46.58 1upc h GLY 274 CO -0.00 0.49 -0.98 -2.22 0.00 0.00 0.00 176.54 173.83 1upc h ILE 275 N 0.95 1.32 0.00 2.60 2.04 -1.30 -3.25 117.51 119.87 1upc h ILE 275 Ca 0.23 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1upc h ILE 275 Cb 0.15 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1upc h ILE 275 CO -0.02 0.70 -0.34 0.18 0.00 0.00 0.00 178.15 178.67 1upc n LEU 276 N -3.83 0.45 -3.86 1.44 4.77 -0.89 -4.96 117.00 110.12 1upc n LEU 276 Ca -0.09 0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 1upc n LEU 276 Cb 0.85 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1upc n LEU 276 CO 0.54 0.01 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.31 1upc n ASN 277 N -1.74 -1.45 -3.58 -1.43 2.85 -0.22 -4.97 115.26 104.73 1upc n ASN 277 Ca 0.05 -0.90 -0.16 0.00 -0.11 0.00 0.00 54.58 53.46 1upc n ASN 277 Cb 0.37 -3.56 -0.07 0.00 1.24 0.00 0.00 39.78 37.77 1upc n ASN 277 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1upc s PHE 278 N -3.71 -0.71 -1.38 1.20 5.36 -1.10 -5.07 117.98 112.57 1upc s PHE 278 Ca 0.14 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 57.48 1upc s PHE 278 Cb -0.07 0.34 0.08 0.00 -0.34 0.00 0.00 43.02 43.02 1upc s PHE 278 CO 0.85 -0.49 2.02 -0.35 -1.46 0.00 0.00 175.22 175.79 1upc n PRO 279 N 1.80 3.09 -0.03 10.12 -0.04 -1.26 -4.46 135.00 144.21 1upc n PRO 279 Ca -0.17 -2.98 -0.17 0.00 -0.04 0.00 0.00 63.50 60.15 1upc n PRO 279 Cb 0.56 -3.25 -0.07 0.00 -0.04 0.00 0.00 33.50 30.69 1upc n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upc h ALA 280 N 6.34 0.27 -0.51 0.55 0.00 -1.89 -2.20 119.26 121.83 1upc h ALA 280 Ca 0.50 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 280 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1upc h ALA 280 CO 1.72 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 181.38 1upc h LEU 281 N 0.37 0.93 -0.71 0.00 3.38 -1.92 -0.93 115.31 116.44 1upc h LEU 281 Ca -0.04 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1upc h LEU 281 Cb 1.26 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1upc h LEU 281 CO 0.13 1.05 0.34 -0.61 0.09 0.00 0.00 178.44 179.43 1upc h GLN 282 N 0.80 0.54 -0.51 1.13 4.15 -1.91 0.62 115.11 119.94 1upc h GLN 282 Ca 0.14 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 1upc h GLN 282 Cb 0.60 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1upc h GLN 282 CO 0.04 0.36 -0.11 1.15 -1.93 0.00 0.00 178.83 178.34 1upc h THR 283 N 0.56 1.27 -0.12 2.39 2.02 -1.01 0.24 112.91 118.26 1upc h THR 283 Ca 0.35 -1.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.13 1upc h THR 283 Cb 0.41 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1upc h THR 283 CO -0.29 0.44 -0.60 -0.03 0.37 0.00 0.00 175.52 175.40 1upc h MET 284 N 0.83 0.41 0.00 6.66 1.85 -0.72 -3.40 114.93 120.56 1upc h MET 284 Ca 0.13 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1upc h MET 284 Cb 0.67 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.74 1upc h MET 284 CO 0.05 0.89 -0.17 1.19 -0.40 0.00 0.00 176.91 178.47 1upc n PHE 285 N -3.91 0.00 -0.02 1.39 3.72 0.17 -4.76 117.46 114.05 1upc n PHE 285 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 1upc n PHE 285 Cb 0.63 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.14 1upc n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upc h ALA 286 N 0.00 -0.00 -0.00 4.37 0.00 -1.06 -2.72 119.26 119.84 1upc h ALA 286 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upc h ALA 286 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1upc h ALA 286 CO 0.00 -0.57 -0.39 -0.35 0.00 0.00 0.00 179.25 177.94 1upc n PRO 287 N -5.29 0.19 -1.73 0.00 -0.04 -1.26 -3.29 135.00 123.58 1upc n PRO 287 Ca -0.02 -0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1upc n PRO 287 Cb 0.20 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1upc n PRO 287 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1upc n VAL 288 N -1.32 2.59 -0.10 0.52 0.31 -1.03 -4.73 118.33 114.58 1upc n VAL 288 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1upc n VAL 288 Cb 0.33 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1upc n VAL 288 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1upc n ASP 289 N 0.08 0.31 -3.71 4.52 5.75 -0.75 -4.74 116.55 118.02 1upc n ASP 289 Ca 0.05 -0.64 -0.17 0.00 -0.01 0.00 0.00 54.79 54.03 1upc n ASP 289 Cb 0.40 0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 40.78 1upc n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upc s LEU 290 N -0.91 0.43 -0.19 -2.12 2.96 -1.25 -1.70 118.68 115.90 1upc s LEU 290 Ca 0.00 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1upc s LEU 290 Cb 0.00 0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 1upc s LEU 290 CO 0.00 -0.20 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 1upc s VAL 291 N 1.73 3.27 -0.38 1.68 1.01 -0.42 -1.35 120.40 125.94 1upc s VAL 291 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1upc s VAL 291 Cb -0.12 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1upc s VAL 291 CO -0.04 0.46 0.19 -0.76 0.00 0.00 0.00 175.10 174.95 1upc s LEU 292 N 1.15 4.81 -0.80 3.92 1.02 -0.73 -1.19 118.68 126.86 1upc s LEU 292 Ca 0.02 -1.36 -0.22 0.00 0.02 0.00 0.00 54.13 52.59 1upc s LEU 292 Cb -0.14 -1.93 0.08 0.00 0.02 0.00 0.00 46.19 44.21 1upc s LEU 292 CO -0.02 -0.45 1.11 0.42 0.02 0.00 0.00 176.35 177.44 1upc s THR 293 N 1.41 4.35 -0.49 5.49 -4.23 0.20 -1.24 115.64 121.12 1upc s THR 293 Ca 0.01 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.55 1upc s THR 293 Cb -0.21 -4.78 0.03 0.00 1.34 0.00 0.00 72.50 68.88 1upc s THR 293 CO 0.02 -1.57 0.86 -0.69 -0.54 0.00 0.00 174.62 172.70 1upc s VAL 294 N 3.89 4.53 -0.34 2.29 1.01 0.56 -2.04 120.40 130.30 1upc s VAL 294 Ca 0.30 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1upc s VAL 294 Cb -0.10 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1upc s VAL 294 CO 0.02 -0.90 0.29 0.61 0.00 0.00 0.00 175.10 175.12 1upc n GLY 295 N 5.04 0.45 3.77 4.51 0.00 0.56 -1.79 105.19 117.74 1upc n GLY 295 Ca 0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1upc n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upc s TYR 296 N -3.09 2.85 -0.26 1.61 5.04 -1.11 -4.12 117.35 118.27 1upc s TYR 296 Ca 0.10 1.28 -0.02 0.00 -2.44 0.00 0.00 57.07 55.99 1upc s TYR 296 Cb -0.04 -3.84 0.15 0.00 0.35 0.00 0.00 41.96 38.57 1upc s TYR 296 CO 0.19 -2.41 0.42 0.34 -1.34 0.00 0.00 175.55 172.75 1upc s ASP 297 N -0.28 -0.04 0.58 4.32 -1.08 -1.26 -4.84 116.67 114.07 1upc s ASP 297 Ca 0.51 0.25 0.28 0.00 -0.52 0.00 0.00 52.55 53.07 1upc s ASP 297 Cb -0.43 1.30 1.55 0.00 -1.46 0.00 0.00 42.92 43.88 1upc s ASP 297 CO 0.57 -0.30 2.01 0.22 0.52 0.00 0.00 175.17 178.19 1upc h TYR 298 N 8.15 0.00 0.00 -5.34 3.20 -1.95 -1.35 116.97 119.68 1upc h TYR 298 Ca -0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 1upc h TYR 298 Cb 1.15 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1upc h TYR 298 CO 0.14 0.00 -0.07 0.00 -1.64 0.00 0.00 178.16 176.59 1upc h ALA 299 N 1.65 1.33 0.00 1.82 0.00 -1.95 -1.76 119.26 120.35 1upc h ALA 299 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1upc h ALA 299 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1upc h ALA 299 CO -0.00 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.72 1upc n GLU 300 N -3.65 0.21 -1.81 0.00 1.02 -0.51 -3.58 120.64 112.32 1upc n GLU 300 Ca -0.02 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.42 1upc n GLU 300 Cb 0.18 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1upc n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upc n ASP 301 N -2.21 -2.14 -4.22 1.62 2.03 -0.66 -4.68 116.55 106.29 1upc n ASP 301 Ca 0.03 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 54.95 1upc n ASP 301 Cb 0.30 -1.15 -0.08 0.00 -0.72 0.00 0.00 41.12 39.47 1upc n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upc s LEU 302 N -0.84 5.77 0.15 -2.67 2.96 -1.26 -4.78 118.68 118.01 1upc s LEU 302 Ca 0.00 -2.05 0.00 0.00 -0.22 0.00 0.00 54.13 51.86 1upc s LEU 302 Cb 0.00 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1upc s LEU 302 CO 0.00 -0.67 0.31 -0.13 -1.32 0.00 0.00 176.35 174.55 1upc s ARG 303 N 1.15 3.48 0.53 1.98 0.52 -1.26 -4.86 118.95 120.50 1upc s ARG 303 Ca 0.08 -0.44 0.36 0.00 -0.52 0.00 0.00 55.73 55.21 1upc s ARG 303 Cb -0.25 -2.93 1.53 0.00 0.52 0.00 0.00 34.95 33.83 1upc s ARG 303 CO -0.01 0.50 1.78 -1.35 0.02 0.00 0.00 175.30 176.23 1upc h PRO 304 N 2.35 0.03 0.00 3.54 0.11 -1.98 -1.45 132.00 134.61 1upc h PRO 304 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1upc h PRO 304 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1upc h PRO 304 CO 0.70 0.02 -0.11 0.66 -0.21 0.00 0.00 178.00 179.07 1upc h SER 305 N 0.03 0.00 1.33 -2.05 4.64 -1.94 -1.97 113.55 113.59 1upc h SER 305 Ca 0.60 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.78 1upc h SER 305 Cb 2.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.40 1upc h SER 305 CO -0.04 0.11 -0.68 0.24 -0.87 0.00 0.00 176.83 175.59 1upc h MET 306 N 0.00 0.00 -0.00 4.77 2.86 -1.64 -3.24 114.93 117.69 1upc h MET 306 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1upc h MET 306 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1upc h MET 306 CO 0.01 0.63 -0.91 -2.67 1.06 0.00 0.00 176.91 175.03 1upc n TRP 307 N -3.25 0.00 -1.91 -0.22 2.14 -0.93 -4.67 117.44 108.60 1upc n TRP 307 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1upc n TRP 307 Cb 0.80 -0.01 -0.00 0.00 -0.81 0.00 0.00 31.31 31.29 1upc n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upc n GLN 308 N -1.31 3.44 -4.91 -2.67 6.02 -0.79 -4.87 117.38 112.30 1upc n GLN 308 Ca 0.05 -2.97 -0.33 0.00 -0.01 0.00 0.00 57.00 53.74 1upc n GLN 308 Cb 0.35 -3.02 -0.14 0.00 1.02 0.00 0.00 30.24 28.45 1upc n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upc s LYS 309 N 1.56 2.70 5.99 -1.09 -0.14 -1.26 -4.99 119.74 122.51 1upc s LYS 309 Ca 0.48 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1upc s LYS 309 Cb 0.14 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 1upc s LYS 309 CO -0.05 0.50 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 1upc n GLY 310 N 2.66 1.22 3.75 -3.33 0.00 -1.26 -3.92 105.19 104.31 1upc n GLY 310 Ca -0.17 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 1upc n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upc s ILE 311 N 0.00 4.11 -0.28 -0.61 -4.36 -1.21 -4.99 121.20 113.87 1upc s ILE 311 Ca 0.00 2.08 -0.42 0.00 -0.26 0.00 0.00 60.65 62.05 1upc s ILE 311 Cb 0.00 -4.33 -0.18 0.00 1.25 0.00 0.00 42.46 39.21 1upc s ILE 311 CO 0.00 0.48 1.57 -1.84 0.24 0.00 0.00 174.94 175.39 1upc n GLU 312 N 1.63 0.63 -3.45 0.37 -0.00 -1.26 -4.94 120.64 113.62 1upc n GLU 312 Ca -0.02 0.23 -0.29 0.00 -0.00 0.00 0.00 57.16 57.09 1upc n GLU 312 Cb 0.47 -1.83 -0.04 0.00 -0.00 0.00 0.00 31.44 30.05 1upc n GLU 312 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1upc s LYS 313 N 2.58 3.63 0.45 3.44 3.01 -1.26 -4.93 119.74 126.65 1upc s LYS 313 Ca 0.98 -0.05 -0.11 0.00 -1.01 0.00 0.00 55.97 55.78 1upc s LYS 313 Cb -1.22 -2.70 -0.06 0.00 -1.01 0.00 0.00 37.83 32.83 1upc s LYS 313 CO 0.68 0.29 0.83 0.15 0.51 0.00 0.00 175.35 177.81 1upc s LYS 314 N -3.34 3.77 0.01 1.68 -0.14 -0.69 -4.95 119.74 116.09 1upc s LYS 314 Ca 0.43 0.55 0.02 0.00 -1.36 0.00 0.00 55.97 55.61 1upc s LYS 314 Cb -0.11 -2.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1upc s LYS 314 CO 0.28 -0.14 -0.06 0.95 -0.76 0.00 0.00 175.35 175.62 1upc s THR 315 N -2.52 0.46 -0.10 2.17 -4.23 -1.26 -1.30 115.64 108.86 1upc s THR 315 Ca 0.53 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1upc s THR 315 Cb -0.10 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.32 1upc s THR 315 CO 0.34 -0.01 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.54 1upc s VAL 316 N -0.45 1.72 -0.13 2.29 1.01 -0.33 -1.71 120.40 122.80 1upc s VAL 316 Ca -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1upc s VAL 316 Cb -0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1upc s VAL 316 CO -0.00 0.48 0.03 -0.60 0.00 0.00 0.00 175.10 175.01 1upc s ARG 317 N 0.68 3.44 -0.18 2.72 3.52 -0.51 -0.63 118.95 127.99 1upc s ARG 317 Ca -0.12 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1upc s ARG 317 Cb -0.16 -2.98 0.06 0.00 -1.56 0.00 0.00 34.95 30.31 1upc s ARG 317 CO 0.03 0.51 0.03 0.42 -0.81 0.00 0.00 175.30 175.47 1upc s ILE 318 N -0.32 0.55 -0.06 4.11 1.09 -0.86 0.03 121.20 125.73 1upc s ILE 318 Ca 0.07 -0.50 -0.15 0.00 -1.10 0.00 0.00 60.65 58.98 1upc s ILE 318 Cb -0.12 -1.00 0.03 0.00 -1.06 0.00 0.00 42.46 40.31 1upc s ILE 318 CO 0.02 -0.14 0.34 -0.55 -0.10 0.00 0.00 174.94 174.51 1upc s SER 319 N 1.85 -0.28 0.00 3.58 0.15 -1.04 -0.32 113.70 117.64 1upc s SER 319 Ca -0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1upc s SER 319 Cb -0.16 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1upc s SER 319 CO -0.08 -0.33 0.89 -0.81 1.20 0.00 0.00 173.24 174.11 1upc n PRO 320 N 1.87 0.83 -3.88 5.44 -0.04 -1.02 -2.12 135.00 136.07 1upc n PRO 320 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1upc n PRO 320 Cb 0.57 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 1upc n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upc s THR 321 N 0.18 0.11 0.37 0.52 -4.23 -1.26 -1.02 115.64 110.31 1upc s THR 321 Ca 0.00 -0.90 -0.26 0.00 -1.18 0.00 0.00 61.69 59.35 1upc s THR 321 Cb 0.00 -0.76 -0.09 0.00 1.34 0.00 0.00 72.50 72.99 1upc s THR 321 CO 0.00 -0.50 1.13 -0.69 -0.54 0.00 0.00 174.62 174.02 1upc s VAL 322 N -2.21 3.34 -0.42 2.29 1.01 -1.26 -4.84 120.40 118.30 1upc s VAL 322 Ca -0.08 1.15 -0.33 0.00 0.00 0.00 0.00 61.98 62.72 1upc s VAL 322 Cb -0.03 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1upc s VAL 322 CO -0.02 0.13 2.27 -3.20 0.00 0.00 0.00 175.10 174.27 1upc n ASN 323 N 0.29 2.03 0.12 3.32 5.15 -1.26 -4.87 115.26 120.04 1upc n ASN 323 Ca 0.03 0.26 0.13 0.00 -0.60 0.00 0.00 54.58 54.40 1upc n ASN 323 Cb 0.47 -1.29 0.36 0.00 -0.53 0.00 0.00 39.78 38.79 1upc n ASN 323 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1upc h PRO 324 N 13.43 0.00 -1.47 1.20 0.13 -1.97 -3.39 132.00 139.94 1upc h PRO 324 Ca -0.25 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.38 1upc h PRO 324 Cb 1.31 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 1upc h PRO 324 CO 1.07 0.00 -0.92 0.44 -0.23 0.00 0.00 178.00 178.36 1upc n ILE 325 N -2.37 1.76 0.23 -3.56 -5.35 -1.26 -4.90 119.36 103.90 1upc n ILE 325 Ca 0.05 -4.32 0.14 0.00 -0.27 0.00 0.00 62.75 58.35 1upc n ILE 325 Cb 0.44 -0.52 0.77 0.00 -1.74 0.00 0.00 39.64 38.59 1upc n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upc h PRO 326 N 2.81 0.00 0.00 6.28 0.13 -1.76 0.38 132.00 139.83 1upc h PRO 326 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1upc h PRO 326 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1upc h PRO 326 CO 0.70 0.00 -0.32 -0.09 -0.23 0.00 0.00 178.00 178.05 1upc h ARG 327 N 0.00 0.00 0.00 0.86 2.43 -1.97 -3.38 114.38 112.32 1upc h ARG 327 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 1upc h ARG 327 Cb 0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1upc h ARG 327 CO 0.00 0.32 -1.81 0.28 -1.51 0.00 0.00 179.97 177.25 1upc n VAL 328 N -4.00 0.81 -3.98 0.20 0.31 0.06 -4.92 118.33 106.82 1upc n VAL 328 Ca -0.02 -0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 63.74 1upc n VAL 328 Cb 0.38 -1.31 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 1upc n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upc s TYR 329 N -2.28 3.26 -0.89 3.52 5.04 -0.83 -4.87 117.35 120.30 1upc s TYR 329 Ca -0.20 -2.59 -0.05 0.00 -2.44 0.00 0.00 57.07 51.79 1upc s TYR 329 Cb 0.06 -2.46 0.22 0.00 0.35 0.00 0.00 41.96 40.13 1upc s TYR 329 CO 0.30 -0.91 0.79 1.03 -1.34 0.00 0.00 175.55 175.42 1upc s ARG 330 N 1.08 3.38 0.68 4.97 1.81 -1.26 -4.28 118.95 125.34 1upc s ARG 330 Ca 0.06 -3.07 -0.17 0.00 -1.72 0.00 0.00 55.73 50.83 1upc s ARG 330 Cb -0.19 -4.09 0.01 0.00 -0.45 0.00 0.00 34.95 30.23 1upc s ARG 330 CO -0.10 -1.25 1.23 -1.25 -0.68 0.00 0.00 175.30 173.25 1upc s PRO 331 N -0.98 2.43 0.28 3.54 0.04 -1.26 -4.91 135.00 134.14 1upc s PRO 331 Ca 0.25 1.85 0.10 0.00 0.04 0.00 0.00 61.00 63.24 1upc s PRO 331 Cb -0.10 -1.86 0.40 0.00 0.04 0.00 0.00 34.50 32.98 1upc s PRO 331 CO -0.10 -1.63 1.64 -0.44 0.04 0.00 0.00 177.00 176.51 1upc h ASP 332 N 0.18 0.05 -3.46 6.66 3.32 -1.72 -3.43 116.42 118.02 1upc h ASP 332 Ca -0.49 -0.03 -0.41 0.00 0.02 0.00 0.00 57.03 56.12 1upc h ASP 332 Cb 1.31 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.50 1upc h ASP 332 CO 0.52 0.61 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.19 1upc s VAL 333 N -3.74 0.54 -0.23 -1.35 1.01 -0.98 -5.04 120.40 110.61 1upc s VAL 333 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1upc s VAL 333 Cb 0.13 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1upc s VAL 333 CO 0.76 0.23 -0.11 -0.62 0.00 0.00 0.00 175.10 175.36 1upc s ASP 334 N 0.91 4.02 -0.53 3.32 -1.08 -1.26 -1.43 116.67 120.62 1upc s ASP 334 Ca -0.11 -0.89 -0.04 0.00 -0.52 0.00 0.00 52.55 50.99 1upc s ASP 334 Cb -0.14 -1.60 0.14 0.00 -1.46 0.00 0.00 42.92 39.86 1upc s ASP 334 CO 0.00 -0.10 0.35 -0.69 0.52 0.00 0.00 175.17 175.25 1upc s VAL 335 N 1.28 3.70 -0.62 1.11 1.01 0.10 -4.93 120.40 122.05 1upc s VAL 335 Ca 0.00 -2.43 -0.21 0.00 0.00 0.00 0.00 61.98 59.34 1upc s VAL 335 Cb -0.16 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1upc s VAL 335 CO -0.07 -0.80 0.84 -0.69 0.00 0.00 0.00 175.10 174.39 1upc s VAL 336 N 0.61 4.55 0.05 2.92 1.01 -1.26 -2.50 120.40 125.78 1upc s VAL 336 Ca 0.12 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 1upc s VAL 336 Cb -0.22 -4.59 0.10 0.00 0.00 0.00 0.00 36.38 31.68 1upc s VAL 336 CO -0.04 -1.29 1.20 0.28 0.00 0.00 0.00 175.10 175.26 1upc s THR 337 N 3.45 0.00 0.45 3.92 -1.32 -0.90 -0.46 115.64 120.77 1upc s THR 337 Ca 0.18 -0.33 -0.25 0.00 -1.21 0.00 0.00 61.69 60.08 1upc s THR 337 Cb -0.20 -2.48 -0.08 0.00 -1.51 0.00 0.00 72.50 68.24 1upc s THR 337 CO 0.09 0.00 1.29 -0.62 -2.21 0.00 0.00 174.62 173.17 1upc s ASP 338 N -3.32 6.06 -0.02 8.08 2.15 -1.26 -2.45 116.67 125.91 1upc s ASP 338 Ca 0.20 2.62 -0.24 0.00 0.43 0.00 0.00 52.55 55.56 1upc s ASP 338 Cb 0.01 -2.63 -0.18 0.00 -0.30 0.00 0.00 42.92 39.82 1upc s ASP 338 CO -0.00 -1.02 1.15 0.58 -0.17 0.00 0.00 175.17 175.70 1upc h VAL 339 N 2.14 0.97 -0.31 1.11 2.07 -1.92 -2.28 116.25 118.03 1upc h VAL 339 Ca -0.50 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.17 1upc h VAL 339 Cb 1.26 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 32.46 1upc h VAL 339 CO 0.61 0.20 -0.21 0.25 0.02 0.00 0.00 177.57 178.45 1upc h LEU 340 N -0.69 -0.68 -1.77 2.57 5.85 -1.91 -0.22 115.31 118.46 1upc h LEU 340 Ca -0.02 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1upc h LEU 340 Cb 0.50 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1upc h LEU 340 CO 0.04 -0.24 0.28 0.00 -0.34 0.00 0.00 178.44 178.18 1upc h ALA 341 N 0.99 2.03 -0.28 1.25 0.00 -1.93 0.23 119.26 121.55 1upc h ALA 341 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1upc h ALA 341 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1upc h ALA 341 CO -0.42 -0.12 -0.16 0.35 0.00 0.00 0.00 179.25 178.91 1upc h PHE 342 N 0.28 0.69 0.42 0.00 3.57 -0.49 -2.41 116.94 119.01 1upc h PHE 342 Ca 0.19 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1upc h PHE 342 Cb 0.38 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1upc h PHE 342 CO -0.00 0.85 -0.20 0.28 -2.23 0.00 0.00 178.31 177.01 1upc h VAL 343 N 0.33 0.57 -0.85 1.41 2.07 0.76 -0.31 116.25 120.24 1upc h VAL 343 Ca 0.06 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.51 1upc h VAL 343 Cb 0.69 0.71 -0.13 0.00 -1.52 0.00 0.00 31.29 31.04 1upc h VAL 343 CO 0.05 0.05 0.30 -0.33 0.02 0.00 0.00 177.57 177.66 1upc h GLU 344 N -0.73 0.31 -0.05 1.57 5.08 -1.12 0.40 114.58 120.03 1upc h GLU 344 Ca -0.06 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1upc h GLU 344 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1upc h GLU 344 CO 0.09 0.20 -0.74 1.25 -1.00 0.00 0.00 179.01 178.82 1upc h HIS 345 N 0.32 0.39 -0.25 4.33 2.76 -1.20 -3.02 115.15 118.48 1upc h HIS 345 Ca 0.52 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 58.44 1upc h HIS 345 Cb 0.99 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1upc h HIS 345 CO -0.20 0.92 -0.18 0.35 -1.30 0.00 0.00 177.93 177.52 1upc h PHE 346 N 0.19 0.49 0.13 5.26 3.57 0.46 -2.46 116.94 124.59 1upc h PHE 346 Ca -0.03 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1upc h PHE 346 Cb 1.31 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1upc h PHE 346 CO 0.03 0.61 -0.06 0.93 -2.23 0.00 0.00 178.31 177.59 1upc h GLU 347 N 0.41 -0.17 -0.54 1.11 4.39 -0.87 -0.59 114.58 118.32 1upc h GLU 347 Ca 0.07 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.86 1upc h GLU 347 Cb 0.56 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 1upc h GLU 347 CO 0.04 0.02 0.20 1.15 -1.16 0.00 0.00 179.01 179.25 1upc h THR 348 N -0.33 0.80 0.00 1.13 2.02 -1.52 0.40 112.91 115.42 1upc h THR 348 Ca -0.02 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1upc h THR 348 Cb 0.27 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1upc h THR 348 CO 0.03 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.97 1upc h ALA 349 N 1.37 1.00 -0.34 6.16 0.00 -1.19 -3.03 119.26 123.23 1upc h ALA 349 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1upc h ALA 349 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1upc h ALA 349 CO -0.27 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.25 1upc n THR 350 N -3.11 1.09 -0.35 0.00 -2.24 -0.25 -4.72 114.28 104.70 1upc n THR 350 Ca 0.02 -1.06 0.14 0.00 -2.27 0.00 0.00 64.05 60.87 1upc n THR 350 Cb 0.40 0.45 0.33 0.00 -2.10 0.00 0.00 70.33 69.40 1upc n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upc h ALA 351 N 2.00 1.66 -0.01 6.98 0.00 -0.11 -1.62 119.26 128.16 1upc h ALA 351 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1upc h ALA 351 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1upc h ALA 351 CO 0.02 -0.10 -0.16 -1.13 0.00 0.00 0.00 179.25 177.88 1upc n SER 352 N -4.81 1.37 -4.77 0.00 3.41 -1.26 -4.93 113.62 102.64 1upc n SER 352 Ca 0.24 -1.22 -0.40 0.00 -0.26 0.00 0.00 58.87 57.22 1upc n SER 352 Cb 0.60 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1upc n SER 352 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1upc s PHE 353 N -2.28 3.19 0.32 7.33 0.40 -0.61 -5.02 117.98 121.31 1upc s PHE 353 Ca 0.30 1.52 -0.16 0.00 -0.60 0.00 0.00 56.93 57.98 1upc s PHE 353 Cb 0.20 -3.53 -0.09 0.00 0.51 0.00 0.00 43.02 40.11 1upc s PHE 353 CO 0.44 -1.43 0.74 0.20 0.70 0.00 0.00 175.22 175.88 1upc s GLY 354 N -0.70 2.36 0.89 4.36 0.00 -1.26 -4.99 107.32 107.98 1upc s GLY 354 Ca 0.49 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 1upc s GLY 354 CO 0.47 0.29 0.38 0.00 0.00 0.00 0.00 173.10 174.25 1upc n ALA 355 N -0.28 -2.44 -2.53 3.20 0.00 -1.26 -4.98 120.51 112.23 1upc n ALA 355 Ca 0.03 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 1upc n ALA 355 Cb 0.53 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1upc n ALA 355 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1upc s LYS 356 N -3.32 2.72 -0.47 0.00 -0.14 -0.70 -5.00 119.74 112.83 1upc s LYS 356 Ca 0.58 -1.29 -0.23 0.00 -1.36 0.00 0.00 55.97 53.68 1upc s LYS 356 Cb -0.25 -2.47 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1upc s LYS 356 CO 0.66 0.12 0.77 -0.65 -0.76 0.00 0.00 175.35 175.48 1upc s GLN 357 N -3.98 3.35 -0.05 1.68 -1.52 -1.26 -4.78 119.66 113.10 1upc s GLN 357 Ca 0.40 -0.24 -0.25 0.00 -1.95 0.00 0.00 55.36 53.32 1upc s GLN 357 Cb -0.06 -3.97 -0.03 0.00 -0.22 0.00 0.00 33.01 28.73 1upc s GLN 357 CO 0.26 -1.16 0.79 -0.98 -0.25 0.00 0.00 175.29 173.95 1upc s ARG 358 N 3.25 4.46 1.00 2.91 1.70 -1.26 -4.56 118.95 126.45 1upc s ARG 358 Ca 0.28 1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 56.47 1upc s ARG 358 Cb -0.13 -3.46 0.19 0.00 -0.57 0.00 0.00 34.95 30.98 1upc s ARG 358 CO 0.21 0.00 1.09 -3.38 -1.08 0.00 0.00 175.30 172.14 1upc s HIS 359 N 0.96 1.64 -0.24 5.89 -3.43 -1.26 -4.98 115.29 113.88 1upc s HIS 359 Ca 0.42 1.50 -0.12 0.00 -0.80 0.00 0.00 55.06 56.05 1upc s HIS 359 Cb -0.19 -3.22 -0.05 0.00 -1.43 0.00 0.00 32.58 27.70 1upc s HIS 359 CO 0.21 -3.11 0.24 0.34 -2.00 0.00 0.00 174.74 170.42 1upc s ASP 360 N -2.73 6.20 -0.11 7.38 2.15 -1.26 -4.95 116.67 123.35 1upc s ASP 360 Ca 0.67 0.22 0.15 0.00 0.43 0.00 0.00 52.55 54.02 1upc s ASP 360 Cb -0.23 -2.15 0.24 0.00 -0.30 0.00 0.00 42.92 40.49 1upc s ASP 360 CO 0.60 -0.00 1.13 2.30 -0.17 0.00 0.00 175.17 179.02 1upc n ILE 361 N 4.43 1.48 -0.28 4.11 -5.35 -1.26 -4.83 119.36 117.66 1upc n ILE 361 Ca -0.13 -1.85 0.02 0.00 -0.27 0.00 0.00 62.75 60.52 1upc n ILE 361 Cb 0.52 -0.06 0.15 0.00 -1.74 0.00 0.00 39.64 38.51 1upc n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upc h GLU 362 N 0.11 0.73 -0.86 6.28 4.39 -1.97 -0.55 114.58 122.71 1upc h GLU 362 Ca -0.01 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.82 1upc h GLU 362 Cb 1.11 -0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.49 1upc h GLU 362 CO 0.00 0.48 0.42 -1.35 -1.16 0.00 0.00 179.01 177.40 1upc h PRO 363 N 0.75 0.53 -0.21 2.33 0.11 -1.99 0.82 132.00 134.34 1upc h PRO 363 Ca 0.38 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 1upc h PRO 363 Cb 0.33 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1upc h PRO 363 CO -0.24 0.35 -0.31 1.25 -0.21 0.00 0.00 178.00 178.84 1upc h LEU 364 N 0.54 0.64 -1.58 2.35 5.85 -1.67 -2.06 115.31 119.38 1upc h LEU 364 Ca 0.49 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1upc h LEU 364 Cb 0.79 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1upc h LEU 364 CO -0.42 1.03 0.39 0.03 -0.34 0.00 0.00 178.44 179.13 1upc h ARG 365 N 0.27 0.49 0.02 1.25 3.08 -0.19 -1.47 114.38 117.82 1upc h ARG 365 Ca 0.02 -0.03 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1upc h ARG 365 Cb 0.89 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.86 1upc h ARG 365 CO 0.07 0.32 -1.04 0.00 -1.07 0.00 0.00 179.97 178.26 1upc h ALA 366 N 1.69 0.10 -0.47 0.04 0.00 -0.70 -1.53 119.26 118.39 1upc h ALA 366 Ca 0.26 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1upc h ALA 366 Cb 0.36 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1upc h ALA 366 CO -0.07 0.66 0.19 -0.09 0.00 0.00 0.00 179.25 179.94 1upc h ARG 367 N 0.34 0.70 -0.20 0.00 9.65 -1.13 -2.07 114.38 121.67 1upc h ARG 367 Ca -0.14 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 1upc h ARG 367 Cb 1.70 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.15 1upc h ARG 367 CO 0.20 0.63 0.11 0.82 2.80 0.00 0.00 179.97 184.53 1upc h ILE 368 N 0.62 1.00 -0.40 1.20 2.04 -1.22 -2.06 117.51 118.68 1upc h ILE 368 Ca 0.16 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1upc h ILE 368 Cb 0.19 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1upc h ILE 368 CO -0.01 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.42 1upc h ALA 369 N 1.10 1.67 -0.26 1.87 0.00 -1.17 -1.98 119.26 120.49 1upc h ALA 369 Ca 0.08 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1upc h ALA 369 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1upc h ALA 369 CO -0.05 0.29 -0.56 1.49 0.00 0.00 0.00 179.25 180.42 1upc h GLU 370 N 0.55 0.84 -0.03 0.00 4.81 -1.16 -0.98 114.58 118.61 1upc h GLU 370 Ca 0.15 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1upc h GLU 370 Cb -0.02 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1upc h GLU 370 CO -0.03 1.18 -0.05 0.74 -0.73 0.00 0.00 179.01 180.13 1upc h PHE 371 N 0.61 -0.12 0.00 0.92 -1.00 -0.81 -2.40 116.94 114.14 1upc h PHE 371 Ca 0.00 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1upc h PHE 371 Cb 1.17 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 1upc h PHE 371 CO 0.08 -0.08 -0.25 -0.07 -1.61 0.00 0.00 178.31 176.38 1upc h LEU 372 N -0.08 0.00 0.00 1.54 3.38 -1.03 -2.81 115.31 116.31 1upc h LEU 372 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1upc h LEU 372 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1upc h LEU 372 CO -0.08 0.25 -0.99 0.00 0.09 0.00 0.00 178.44 177.71 1upc n ALA 373 N -2.36 2.82 -0.09 1.53 0.00 -0.40 -4.76 120.51 117.24 1upc n ALA 373 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1upc n ALA 373 Cb 0.34 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1upc n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upc n ASP 374 N -2.37 0.04 -0.08 0.00 -0.08 -0.91 -4.83 116.55 108.32 1upc n ASP 374 Ca 0.01 0.03 0.12 0.00 -1.51 0.00 0.00 54.79 53.43 1upc n ASP 374 Cb 0.50 -0.06 0.18 0.00 2.34 0.00 0.00 41.12 44.08 1upc n ASP 374 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1upc n PRO 375 N 0.52 0.25 -0.79 -0.67 -0.04 -1.26 -4.94 135.00 128.06 1upc n PRO 375 Ca 0.04 -0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.01 1upc n PRO 375 Cb -0.00 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 1upc n PRO 375 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1upc n GLU 376 N -1.23 -0.30 -3.98 0.54 2.13 -1.26 -5.02 120.64 111.52 1upc n GLU 376 Ca 0.07 -0.04 -0.31 0.00 0.66 0.00 0.00 57.16 57.54 1upc n GLU 376 Cb 0.35 -2.00 -0.15 0.00 0.27 0.00 0.00 31.44 29.90 1upc n GLU 376 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1upc s THR 377 N -2.43 1.71 0.13 6.31 2.01 -1.26 -5.03 115.64 117.08 1upc s THR 377 Ca 0.60 -1.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1upc s THR 377 Cb -0.22 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.31 1upc s THR 377 CO 0.64 -0.05 0.52 -0.31 -0.69 0.00 0.00 174.62 174.73 1upc s TYR 378 N 1.32 3.61 0.12 4.92 1.51 -1.26 -4.98 117.35 122.58 1upc s TYR 378 Ca -0.06 1.01 -0.32 0.00 -1.01 0.00 0.00 57.07 56.68 1upc s TYR 378 Cb -0.19 -2.33 -0.11 0.00 -0.11 0.00 0.00 41.96 39.23 1upc s TYR 378 CO -0.06 0.45 1.56 1.05 -1.11 0.00 0.00 175.55 177.45 1upc h GLU 379 N 3.63 -0.58 0.00 -0.62 9.09 -2.01 -3.33 114.58 120.77 1upc h GLU 379 Ca -0.49 0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1upc h GLU 379 Cb 1.19 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1upc h GLU 379 CO 0.66 -0.38 0.00 -0.40 0.05 0.00 0.00 179.01 178.93 1upc n ASP 380 N -5.45 0.00 -0.66 3.06 5.68 -1.26 -5.02 116.55 112.90 1upc n ASP 380 Ca -0.06 0.90 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 1upc n ASP 380 Cb 0.38 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1upc n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1upc n GLY 381 N -0.52 2.30 3.68 6.12 0.00 -1.25 -4.95 105.19 110.58 1upc n GLY 381 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1upc n GLY 381 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upc s MET 382 N -0.97 0.25 0.15 1.61 -1.94 -0.27 -4.39 119.30 113.74 1upc s MET 382 Ca 0.00 0.36 0.06 0.00 -1.71 0.00 0.00 55.69 54.40 1upc s MET 382 Cb 0.00 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 1upc s MET 382 CO 0.00 -2.82 0.05 1.03 -0.01 0.00 0.00 175.02 173.27 1upc s ARG 383 N -5.09 2.63 0.25 2.03 1.81 -1.26 -3.18 118.95 116.14 1upc s ARG 383 Ca 0.66 -0.94 -0.02 0.00 -1.72 0.00 0.00 55.73 53.71 1upc s ARG 383 Cb -0.17 -2.52 0.30 0.00 -0.45 0.00 0.00 34.95 32.12 1upc s ARG 383 CO 0.57 0.49 1.70 0.28 -0.68 0.00 0.00 175.30 177.66 1upc h VAL 384 N 2.41 1.26 -0.56 3.52 2.07 -1.98 -1.67 116.25 121.30 1upc h VAL 384 Ca -0.47 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 65.94 1upc h VAL 384 Cb 1.19 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1upc h VAL 384 CO 0.61 0.40 0.38 1.12 0.02 0.00 0.00 177.57 180.09 1upc h HIS 385 N 0.64 0.49 -0.10 1.57 2.07 -1.96 -0.96 115.15 116.90 1upc h HIS 385 Ca 0.11 0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 57.45 1upc h HIS 385 Cb 0.60 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 30.42 1upc h HIS 385 CO 0.03 0.26 -0.74 1.96 -3.07 0.00 0.00 177.93 176.37 1upc h GLN 386 N 0.48 0.52 -0.17 5.12 4.20 -1.58 -2.53 115.11 121.15 1upc h GLN 386 Ca 0.25 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1upc h GLN 386 Cb 0.36 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1upc h GLN 386 CO -0.07 1.05 0.08 0.28 -0.67 0.00 0.00 178.83 179.50 1upc h VAL 387 N 0.35 1.14 -0.12 -0.54 2.07 -0.68 -2.28 116.25 116.18 1upc h VAL 387 Ca -0.04 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1upc h VAL 387 Cb 1.33 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1upc h VAL 387 CO 0.13 0.13 -0.34 0.40 0.02 0.00 0.00 177.57 177.92 1upc h ILE 388 N 0.15 1.28 -0.14 4.57 2.04 -1.25 -1.07 117.51 123.08 1upc h ILE 388 Ca 0.06 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1upc h ILE 388 Cb 0.13 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1upc h ILE 388 CO -0.01 0.40 0.05 -0.78 0.00 0.00 0.00 178.15 177.82 1upc h ASP 389 N 0.21 0.19 -0.80 1.72 3.58 -1.34 0.17 116.42 120.17 1upc h ASP 389 Ca 0.03 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.35 1upc h ASP 389 Cb 0.70 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1upc h ASP 389 CO 0.05 0.31 0.52 0.28 -2.88 0.00 0.00 179.24 177.53 1upc h SER 390 N 0.07 0.82 -0.35 2.28 0.02 -1.25 -1.40 113.55 113.73 1upc h SER 390 Ca 0.05 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1upc h SER 390 Cb 0.18 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1upc h SER 390 CO -0.00 0.55 0.05 0.24 -1.14 0.00 0.00 176.83 176.53 1upc h MET 391 N 0.94 0.58 -0.21 3.45 2.86 -0.53 -2.59 114.93 119.44 1upc h MET 391 Ca 0.32 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1upc h MET 391 Cb 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1upc h MET 391 CO -0.10 0.66 0.07 -0.91 1.06 0.00 0.00 176.91 177.69 1upc h ASN 392 N 0.42 0.09 0.34 1.22 2.35 -0.35 -1.05 115.58 118.59 1upc h ASN 392 Ca 0.11 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1upc h ASN 392 Cb 0.36 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1upc h ASN 392 CO 0.01 0.08 -0.41 0.74 -1.65 0.00 0.00 177.43 176.20 1upc h THR 393 N 0.18 0.17 0.00 2.81 2.02 -1.26 -0.10 112.91 116.72 1upc h THR 393 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1upc h THR 393 Cb 0.05 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1upc h THR 393 CO -0.09 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 176.16 1upc h VAL 394 N -0.79 1.07 -0.18 3.16 2.07 -1.37 -2.36 116.25 117.86 1upc h VAL 394 Ca -0.02 -0.79 -0.18 0.00 0.82 0.00 0.00 66.70 66.53 1upc h VAL 394 Cb 0.73 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1upc h VAL 394 CO -0.11 0.22 -0.62 -0.03 0.02 0.00 0.00 177.57 177.05 1upc h MET 395 N 0.00 0.62 -0.65 1.57 -1.53 -0.78 -1.25 114.93 112.90 1upc h MET 395 Ca -0.00 -0.43 -0.05 0.00 -3.44 0.00 0.00 59.70 55.78 1upc h MET 395 Cb 0.42 0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.50 1upc h MET 395 CO 0.03 1.04 0.21 1.49 0.14 0.00 0.00 176.91 179.82 1upc h GLU 396 N 0.46 1.00 -0.15 0.39 4.81 -0.55 -2.48 114.58 118.06 1upc h GLU 396 Ca -0.01 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1upc h GLU 396 Cb 1.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1upc h GLU 396 CO 0.12 0.85 -0.00 0.93 -0.73 0.00 0.00 179.01 180.18 1upc h GLU 397 N 0.96 0.26 0.00 1.92 5.08 -1.33 -3.34 114.58 118.13 1upc h GLU 397 Ca 0.21 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1upc h GLU 397 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1upc h GLU 397 CO -0.01 0.50 -0.66 0.00 -1.00 0.00 0.00 179.01 177.84 1upc h ALA 398 N 0.76 0.78 -3.27 3.43 0.00 -1.18 -3.45 119.26 116.32 1upc h ALA 398 Ca 0.04 -0.60 -0.65 0.00 0.00 0.00 0.00 54.91 53.70 1upc h ALA 398 Cb 0.38 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 17.90 1upc h ALA 398 CO 0.01 0.82 -0.61 0.00 0.00 0.00 0.00 179.25 179.47 1upc s ALA 399 N -3.29 3.28 0.68 0.00 0.00 -0.94 -4.85 121.76 116.64 1upc s ALA 399 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1upc s ALA 399 Cb 0.11 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1upc s ALA 399 CO 0.76 0.42 0.19 0.39 0.00 0.00 0.00 175.76 177.51 1upc n GLU 400 N 2.75 0.21 -1.99 0.00 -0.58 -1.26 -4.84 120.64 114.94 1upc n GLU 400 Ca -0.18 0.09 -0.37 0.00 -0.42 0.00 0.00 57.16 56.29 1upc n GLU 400 Cb 0.53 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.95 1upc n GLU 400 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1upc s PRO 401 N -2.10 3.07 -0.35 3.49 0.04 -1.26 -2.55 135.00 135.34 1upc s PRO 401 Ca 0.60 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1upc s PRO 401 Cb -0.38 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1upc s PRO 401 CO 0.63 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1upc n GLY 402 N 0.57 0.57 3.20 0.56 0.00 -1.26 -5.00 105.19 103.82 1upc n GLY 402 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1upc n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upc s GLU 403 N -1.57 1.04 0.00 1.61 2.02 -1.06 -4.46 118.70 116.27 1upc s GLU 403 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.49 1upc s GLU 403 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1upc s GLU 403 CO 0.00 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1upc n GLY 404 N -0.18 2.49 2.66 -1.39 0.00 -1.26 -4.76 105.19 102.74 1upc n GLY 404 Ca -0.05 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 1upc n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upc s THR 405 N -2.32 -0.11 -0.25 2.61 2.01 -0.98 -4.55 115.64 112.05 1upc s THR 405 Ca 0.00 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.20 1upc s THR 405 Cb 0.00 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1upc s THR 405 CO 0.00 0.08 0.16 -0.63 -0.69 0.00 0.00 174.62 173.54 1upc s ILE 406 N 2.16 5.21 -0.10 1.82 1.01 0.27 -0.97 121.20 130.61 1upc s ILE 406 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1upc s ILE 406 Cb -0.13 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1upc s ILE 406 CO -0.04 0.31 -0.00 -0.69 0.00 0.00 0.00 174.94 174.52 1upc s VAL 407 N 1.35 4.28 -0.10 2.92 1.01 0.23 -1.12 120.40 128.96 1upc s VAL 407 Ca 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1upc s VAL 407 Cb -0.15 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1upc s VAL 407 CO 0.07 0.58 -0.18 -0.55 0.00 0.00 0.00 175.10 175.01 1upc s SER 408 N -0.60 2.60 0.20 3.32 0.15 0.01 -0.38 113.70 119.00 1upc s SER 408 Ca 0.10 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1upc s SER 408 Cb -0.12 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1upc s SER 408 CO 0.02 0.07 0.00 -0.67 1.20 0.00 0.00 173.24 173.86 1upc n ASP 409 N 3.90 -0.21 -4.49 5.45 -0.08 -0.68 -4.42 116.55 116.02 1upc n ASP 409 Ca -0.20 -0.09 -0.30 0.00 -1.51 0.00 0.00 54.79 52.69 1upc n ASP 409 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 1upc n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upc s ILE 410 N -0.20 2.86 -5.00 5.18 -1.09 -1.26 -4.70 121.20 116.99 1upc s ILE 410 Ca 0.00 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 1upc s ILE 410 Cb 0.00 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.59 1upc s ILE 410 CO 0.00 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 1upc n GLY 411 N 1.00 0.37 0.07 6.18 0.00 -1.26 -4.64 105.19 106.90 1upc n GLY 411 Ca -0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 1upc n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upc h PHE 412 N 0.00 0.05 -0.01 1.61 3.57 -1.93 -2.40 116.94 117.82 1upc h PHE 412 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1upc h PHE 412 Cb 0.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1upc h PHE 412 CO 0.00 0.03 0.29 0.27 -2.23 0.00 0.00 178.31 176.67 1upc h PHE 413 N 0.07 0.00 -0.09 0.41 -0.00 -1.97 -2.02 116.94 113.33 1upc h PHE 413 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.97 57.83 1upc h PHE 413 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.96 1upc h PHE 413 CO -0.10 0.00 -0.67 -0.09 -0.00 0.00 0.00 178.31 177.45 1upc h ARG 414 N 0.00 0.37 0.00 6.09 1.12 -1.71 -1.98 114.38 118.28 1upc h ARG 414 Ca 0.01 -0.28 -0.05 0.00 -1.11 0.00 0.00 59.98 58.54 1upc h ARG 414 Cb 0.59 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 1upc h ARG 414 CO -0.00 0.91 -0.25 0.45 -3.11 0.00 0.00 179.97 177.97 1upc h HIS 415 N 0.27 0.00 -0.16 2.20 3.86 -1.47 -0.66 115.15 119.18 1upc h HIS 415 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1upc h HIS 415 Cb 1.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 1upc h HIS 415 CO 0.04 0.25 0.04 1.88 0.86 0.00 0.00 177.93 181.00 1upc h TYR 416 N 0.00 0.27 -0.90 2.45 -1.99 -1.54 -2.80 116.97 112.45 1upc h TYR 416 Ca -0.00 -0.03 0.15 0.00 2.00 0.00 0.00 58.73 60.84 1upc h TYR 416 Cb 0.67 -0.08 -0.07 0.00 2.00 0.00 0.00 36.73 39.25 1upc h TYR 416 CO 0.00 0.40 0.58 0.78 -0.00 0.00 0.00 178.16 179.92 1upc h GLY 417 N 0.07 1.24 0.77 3.88 0.00 -0.54 0.13 103.07 108.62 1upc h GLY 417 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1upc h GLY 417 CO 0.00 0.08 -0.07 -2.08 0.00 0.00 0.00 176.54 174.47 1upc h VAL 418 N 0.69 1.30 -0.22 4.60 2.07 -1.07 -2.10 116.25 121.54 1upc h VAL 418 Ca 0.46 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1upc h VAL 418 Cb 0.75 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1upc h VAL 418 CO -0.22 0.32 -0.09 -0.07 0.02 0.00 0.00 177.57 177.54 1upc h LEU 419 N 0.03 0.45 0.00 2.57 3.38 -1.19 -3.41 115.31 117.15 1upc h LEU 419 Ca 0.04 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1upc h LEU 419 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1upc h LEU 419 CO 0.02 0.75 -0.55 0.49 0.09 0.00 0.00 178.44 179.24 1upc n PHE 420 N -4.55 0.00 -2.76 1.13 3.72 0.41 -4.84 117.46 110.56 1upc n PHE 420 Ca -0.05 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.98 1upc n PHE 420 Cb 0.32 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1upc n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upc s ALA 421 N -1.94 3.22 -0.07 4.37 0.00 -0.79 -4.88 121.76 121.68 1upc s ALA 421 Ca 0.02 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 1upc s ALA 421 Cb 0.06 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1upc s ALA 421 CO 0.36 0.16 0.94 0.50 0.00 0.00 0.00 175.76 177.71 1upc s ARG 422 N -2.00 4.47 -0.17 0.00 3.52 -1.26 -4.99 118.95 118.52 1upc s ARG 422 Ca 0.50 1.29 -0.00 0.00 -0.13 0.00 0.00 55.73 57.39 1upc s ARG 422 Cb -0.19 -3.50 0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1upc s ARG 422 CO 0.25 -0.16 -0.05 0.00 -0.81 0.00 0.00 175.30 174.53 1upc s ALA 423 N 1.46 1.52 -1.71 6.12 0.00 -1.26 -4.55 121.76 123.34 1upc s ALA 423 Ca 0.47 -0.88 0.15 0.00 0.00 0.00 0.00 51.96 51.71 1upc s ALA 423 Cb -0.19 -1.15 0.23 0.00 0.00 0.00 0.00 23.12 22.01 1upc s ALA 423 CO 0.21 -0.83 1.12 -3.47 0.00 0.00 0.00 175.76 172.80 1upc n ASP 424 N 4.86 2.65 -3.91 0.00 2.03 -1.26 -4.16 116.55 116.75 1upc n ASP 424 Ca -0.12 -1.77 -0.09 0.00 0.52 0.00 0.00 54.79 53.33 1upc n ASP 424 Cb 0.47 -0.11 -0.07 0.00 -0.72 0.00 0.00 41.12 40.69 1upc n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upc s GLN 425 N -1.19 0.95 0.08 -0.67 -2.07 -1.26 -4.35 119.66 111.15 1upc s GLN 425 Ca 0.23 -1.07 -0.37 0.00 -1.82 0.00 0.00 55.36 52.34 1upc s GLN 425 Cb 0.14 0.35 -0.17 0.00 -1.09 0.00 0.00 33.01 32.24 1upc s GLN 425 CO 0.20 -0.32 1.32 -2.30 -1.32 0.00 0.00 175.29 172.87 1upc n PRO 426 N -0.11 1.05 -2.05 9.60 -0.02 -0.96 -1.10 135.00 141.41 1upc n PRO 426 Ca -0.12 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.59 1upc n PRO 426 Cb 0.63 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1upc n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upc n PHE 427 N 2.43 -0.51 0.08 6.00 3.72 -1.24 -4.90 117.46 123.04 1upc n PHE 427 Ca 0.18 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1upc n PHE 427 Cb 0.18 -2.95 -0.06 0.00 -0.94 0.00 0.00 39.48 35.72 1upc n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upc h GLY 428 N 0.00 0.35 -7.42 1.37 0.00 -1.28 -3.40 103.07 92.68 1upc h GLY 428 Ca -0.33 -0.67 -0.65 0.00 0.00 0.00 0.00 47.33 45.67 1upc h GLY 428 CO 0.42 0.59 -0.61 -0.12 0.00 0.00 0.00 176.54 176.82 1upc s PHE 429 N -3.09 3.11 -0.16 5.60 5.36 -1.26 -0.56 117.98 126.98 1upc s PHE 429 Ca -0.04 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 1upc s PHE 429 Cb 0.09 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1upc s PHE 429 CO 0.86 -0.33 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.66 1upc s LEU 430 N 1.64 2.69 0.28 6.12 1.02 -0.27 -4.57 118.68 125.58 1upc s LEU 430 Ca 0.06 -0.38 -0.09 0.00 0.02 0.00 0.00 54.13 53.74 1upc s LEU 430 Cb -0.15 -1.63 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 1upc s LEU 430 CO 0.05 0.10 0.47 0.28 0.02 0.00 0.00 176.35 177.27 1upc s THR 431 N 0.74 0.00 -0.50 5.49 -1.32 -1.26 -0.81 115.64 117.98 1upc s THR 431 Ca -0.05 -1.48 -0.19 0.00 -1.21 0.00 0.00 61.69 58.76 1upc s THR 431 Cb -0.15 -2.41 0.05 0.00 -1.51 0.00 0.00 72.50 68.48 1upc s THR 431 CO 0.01 0.00 0.63 -0.55 -2.21 0.00 0.00 174.62 172.50 1upc s SER 432 N -3.10 6.23 0.06 8.08 0.15 -1.26 -4.90 113.70 118.96 1upc s SER 432 Ca 0.26 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 56.10 1upc s SER 432 Cb -0.00 -2.29 -0.25 0.00 -1.71 0.00 0.00 66.02 61.77 1upc s SER 432 CO 0.13 -0.88 1.05 0.00 1.20 0.00 0.00 173.24 174.74 1upc h ALA 433 N 8.98 0.33 0.00 5.45 0.00 -1.91 -3.26 119.26 128.86 1upc h ALA 433 Ca -0.27 -1.04 -0.12 0.00 0.00 0.00 0.00 54.91 53.48 1upc h ALA 433 Cb 1.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1upc h ALA 433 CO 0.95 1.21 -0.80 0.78 0.00 0.00 0.00 179.25 181.39 1upc h GLY 434 N 2.41 0.00 0.31 0.00 0.00 -1.78 -3.42 103.07 100.58 1upc h GLY 434 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.87 1upc h GLY 434 CO 0.15 0.00 -1.80 0.00 0.00 0.00 0.00 176.54 174.89 1upc n SER 436 N -3.87 -5.19 -4.72 0.00 7.64 -1.23 -4.96 113.62 101.30 1upc n SER 436 Ca -0.34 -0.65 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1upc n SER 436 Cb 0.90 -4.59 -0.03 0.00 -1.01 0.00 0.00 64.21 59.47 1upc n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upc s SER 437 N -3.47 7.04 0.81 6.43 0.15 -1.26 -4.95 113.70 118.44 1upc s SER 437 Ca 0.53 2.13 -0.11 0.00 0.70 0.00 0.00 55.95 59.20 1upc s SER 437 Cb -0.25 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1upc s SER 437 CO 0.77 -0.47 1.12 0.72 1.20 0.00 0.00 173.24 176.58 1upc s PHE 438 N 0.73 2.20 0.00 3.44 -0.71 -1.26 -2.90 117.98 119.47 1upc s PHE 438 Ca 0.58 1.64 0.00 0.00 -1.04 0.00 0.00 56.93 58.11 1upc s PHE 438 Cb -0.32 -3.20 0.00 0.00 -1.21 0.00 0.00 43.02 38.29 1upc s PHE 438 CO 0.32 -2.22 0.00 0.41 -1.34 0.00 0.00 175.22 172.39 1upc n GLY 439 N -0.50 1.31 0.33 1.99 0.00 -1.05 -4.90 105.19 102.38 1upc n GLY 439 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 1upc n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upc h TYR 440 N 0.00 0.00 0.18 1.61 3.20 -1.83 -3.36 116.97 116.77 1upc h TYR 440 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1upc h TYR 440 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1upc h TYR 440 CO 0.00 0.00 -0.09 0.78 -1.64 0.00 0.00 178.16 177.21 1upc h GLY 441 N 0.00 -0.25 -0.21 1.82 0.00 -1.88 -2.12 103.07 100.43 1upc h GLY 441 Ca 0.03 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1upc h GLY 441 CO -0.00 -0.09 -0.47 -2.22 0.00 0.00 0.00 176.54 173.76 1upc h ILE 442 N -0.85 0.08 -0.19 2.60 2.04 -1.92 0.53 117.51 119.81 1upc h ILE 442 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1upc h ILE 442 Cb 0.52 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1upc h ILE 442 CO 0.04 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.62 1upc h PRO 443 N -0.43 0.30 -0.15 2.37 0.13 -1.77 0.95 132.00 133.39 1upc h PRO 443 Ca 0.09 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 65.02 1upc h PRO 443 Cb 0.62 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1upc h PRO 443 CO -0.51 0.43 -0.47 0.00 -0.23 0.00 0.00 178.00 177.22 1upc h ALA 444 N 1.60 0.91 -0.09 -0.56 0.00 -0.98 -1.71 119.26 118.43 1upc h ALA 444 Ca 0.06 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1upc h ALA 444 Cb 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1upc h ALA 444 CO 0.02 0.65 -0.83 0.00 0.00 0.00 0.00 179.25 179.09 1upc h ALA 445 N 1.19 0.35 -0.40 0.00 0.00 -0.15 -0.22 119.26 120.02 1upc h ALA 445 Ca 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1upc h ALA 445 Cb 0.95 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1upc h ALA 445 CO 0.08 0.72 0.19 0.82 0.00 0.00 0.00 179.25 181.05 1upc h ILE 446 N 0.42 0.95 -0.30 0.00 2.04 -0.74 -0.44 117.51 119.45 1upc h ILE 446 Ca -0.06 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1upc h ILE 446 Cb 1.45 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1upc h ILE 446 CO 0.16 0.07 -0.18 1.23 0.00 0.00 0.00 178.15 179.43 1upc h GLY 447 N 0.38 0.70 0.95 5.37 0.00 -1.21 -2.10 103.07 107.16 1upc h GLY 447 Ca 0.18 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1upc h GLY 447 CO -0.14 0.60 0.12 0.00 0.00 0.00 0.00 176.54 177.12 1upc h ALA 448 N 0.74 0.29 -0.63 3.60 0.00 -0.96 -1.05 119.26 121.25 1upc h ALA 448 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 448 Cb 0.72 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1upc h ALA 448 CO 0.05 -0.18 0.42 0.37 0.00 0.00 0.00 179.25 179.91 1upc h GLN 449 N 0.25 0.79 -0.05 0.00 5.75 -1.08 -0.23 115.11 120.54 1upc h GLN 449 Ca 0.08 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.36 1upc h GLN 449 Cb 0.07 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1upc h GLN 449 CO -0.01 0.53 -0.73 0.52 -2.65 0.00 0.00 178.83 176.48 1upc h MET 450 N 0.82 0.28 0.00 1.69 2.86 -1.01 -2.52 114.93 117.05 1upc h MET 450 Ca 0.24 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1upc h MET 450 Cb -0.05 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1upc h MET 450 CO -0.06 0.89 -0.34 0.00 1.06 0.00 0.00 176.91 178.47 1upc h ALA 451 N 1.04 0.92 -2.13 6.32 0.00 -0.73 -3.35 119.26 121.33 1upc h ALA 451 Ca -0.03 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 1upc h ALA 451 Cb 1.30 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.63 1upc h ALA 451 CO 0.12 0.42 -0.84 0.54 0.00 0.00 0.00 179.25 179.49 1upc n ARG 452 N -3.38 1.96 0.21 0.00 1.74 -0.14 -4.99 116.66 112.06 1upc n ARG 452 Ca 0.01 -4.12 0.15 0.00 -0.77 0.00 0.00 57.85 53.11 1upc n ARG 452 Cb 0.54 -1.89 0.78 0.00 -1.02 0.00 0.00 32.46 30.87 1upc n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upc h PRO 453 N 3.63 0.00 -0.26 5.56 0.13 -1.59 -2.17 132.00 137.30 1upc h PRO 453 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1upc h PRO 453 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1upc h PRO 453 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 1upc n ASP 454 N -4.07 2.85 -4.93 1.44 8.00 -1.26 -4.97 116.55 113.62 1upc n ASP 454 Ca 0.01 -1.84 -0.27 0.00 0.71 0.00 0.00 54.79 53.40 1upc n ASP 454 Cb 0.25 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1upc n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upc s GLN 455 N -1.18 3.53 0.45 -1.24 -0.21 -0.82 -5.02 119.66 115.17 1upc s GLN 455 Ca 0.26 -0.29 -0.22 0.00 0.02 0.00 0.00 55.36 55.13 1upc s GLN 455 Cb 0.16 -2.77 -0.09 0.00 1.00 0.00 0.00 33.01 31.30 1upc s GLN 455 CO 0.22 0.32 1.03 -1.25 -2.12 0.00 0.00 175.29 173.49 1upc s PRO 456 N -3.58 3.98 -0.17 2.91 0.04 -1.26 -4.98 135.00 131.94 1upc s PRO 456 Ca 0.40 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1upc s PRO 456 Cb -0.11 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.24 1upc s PRO 456 CO 0.30 -0.28 0.05 0.99 0.04 0.00 0.00 177.00 178.10 1upc s THR 457 N -1.91 0.34 -0.05 1.26 2.01 -1.26 -2.32 115.64 113.72 1upc s THR 457 Ca 0.63 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1upc s THR 457 Cb -0.17 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1upc s THR 457 CO 0.21 -0.17 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.60 1upc s PHE 458 N 1.95 3.08 -0.08 4.92 0.40 -0.15 -1.13 117.98 126.96 1upc s PHE 458 Ca 0.01 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1upc s PHE 458 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1upc s PHE 458 CO -0.08 0.44 -0.20 -1.17 0.70 0.00 0.00 175.22 174.91 1upc s LEU 459 N -1.15 1.95 -0.11 -0.37 2.96 0.74 0.74 118.68 123.43 1upc s LEU 459 Ca 0.16 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1upc s LEU 459 Cb -0.11 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1upc s LEU 459 CO 0.05 0.13 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.59 1upc s ILE 460 N 0.35 3.24 0.01 6.68 2.07 0.49 -0.23 121.20 133.80 1upc s ILE 460 Ca -0.15 -0.61 -0.09 0.00 -1.41 0.00 0.00 60.65 58.39 1upc s ILE 460 Cb -0.16 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.08 1upc s ILE 460 CO 0.06 0.54 0.18 0.00 -1.91 0.00 0.00 174.94 173.81 1upc s ALA 461 N 0.04 -0.40 0.85 1.50 0.00 -0.62 -1.69 121.76 121.44 1upc s ALA 461 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1upc s ALA 461 Cb -0.14 0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.24 1upc s ALA 461 CO 0.04 -0.26 1.21 0.20 0.00 0.00 0.00 175.76 176.96 1upc s GLY 462 N -1.57 1.66 0.18 0.00 0.00 -1.26 -1.47 107.32 104.86 1upc s GLY 462 Ca -0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 1upc s GLY 462 CO 0.01 -0.28 1.53 1.29 0.00 0.00 0.00 173.10 175.65 1upc h ASP 463 N -1.21 0.80 0.29 1.64 2.03 -1.79 -1.21 116.42 116.97 1upc h ASP 463 Ca -0.45 -0.36 -0.01 0.00 -0.73 0.00 0.00 57.03 55.47 1upc h ASP 463 Cb 1.30 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1upc h ASP 463 CO 0.57 1.10 -0.14 1.23 -1.03 0.00 0.00 179.24 180.97 1upc h GLY 464 N 0.92 -0.40 0.92 7.15 0.00 -1.90 -2.50 103.07 107.26 1upc h GLY 464 Ca 0.05 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1upc h GLY 464 CO 0.09 -0.15 -0.25 -1.33 0.00 0.00 0.00 176.54 174.91 1upc h GLY 465 N -0.54 0.69 0.77 4.60 0.00 -1.83 -2.25 103.07 104.51 1upc h GLY 465 Ca -0.04 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.64 1upc h GLY 465 CO 0.07 0.63 0.36 -2.75 0.00 0.00 0.00 176.54 174.85 1upc h PHE 466 N 0.35 0.67 0.00 5.60 3.57 -1.28 -2.33 116.94 123.53 1upc h PHE 466 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1upc h PHE 466 Cb 0.80 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1upc h PHE 466 CO 0.07 0.35 -0.50 1.25 -2.23 0.00 0.00 178.31 177.26 1upc h HIS 467 N 0.69 0.00 -0.63 0.41 2.76 -1.37 -1.38 115.15 115.63 1upc h HIS 467 Ca 0.27 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.62 1upc h HIS 467 Cb 0.11 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1upc h HIS 467 CO -0.07 0.50 0.51 0.66 -1.30 0.00 0.00 177.93 178.23 1upc h SER 468 N 0.00 0.00 -0.20 3.26 4.64 -0.86 -3.07 113.55 117.32 1upc h SER 468 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1upc h SER 468 Cb 1.05 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.77 1upc h SER 468 CO 0.06 0.00 -1.01 -3.20 -0.87 0.00 0.00 176.83 171.81 1upc n ASN 469 N -4.11 1.06 0.07 4.97 5.15 -1.14 -4.92 115.26 116.35 1upc n ASN 469 Ca 0.12 -2.02 0.13 0.00 -0.60 0.00 0.00 54.58 52.21 1upc n ASN 469 Cb 0.75 -0.31 0.47 0.00 -0.53 0.00 0.00 39.78 40.16 1upc n ASN 469 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1upc n SER 470 N -0.12 0.49 0.25 1.20 3.41 -0.53 -3.51 113.62 114.81 1upc n SER 470 Ca 0.04 0.56 0.17 0.00 -0.26 0.00 0.00 58.87 59.38 1upc n SER 470 Cb 0.96 -0.69 0.71 0.00 -0.26 0.00 0.00 64.21 64.93 1upc n SER 470 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1upc h SER 471 N 0.00 0.00 -0.02 4.04 0.02 -1.87 -2.34 113.55 113.38 1upc h SER 471 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upc h SER 471 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1upc h SER 471 CO 0.00 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 1upc n ASP 472 N -2.90 0.15 -0.32 3.07 8.00 -1.23 -2.62 116.55 120.69 1upc n ASP 472 Ca 0.00 -1.81 0.08 0.00 0.71 0.00 0.00 54.79 53.78 1upc n ASP 472 Cb 0.26 -0.02 0.25 0.00 -0.02 0.00 0.00 41.12 41.59 1upc n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upc h LEU 473 N 0.17 0.70 -1.70 0.64 3.38 -1.69 -1.74 115.31 115.07 1upc h LEU 473 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1upc h LEU 473 Cb 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1upc h LEU 473 CO 0.00 0.31 -0.06 -0.08 0.09 0.00 0.00 178.44 178.69 1upc h GLU 474 N 0.76 0.11 -0.24 1.13 4.22 -1.72 -0.84 114.58 117.99 1upc h GLU 474 Ca 0.50 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.76 1upc h GLU 474 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1upc h GLU 474 CO -0.34 0.18 -0.49 1.15 -2.18 0.00 0.00 179.01 177.34 1upc h THR 475 N 0.10 1.30 -0.43 0.32 2.02 -1.54 -0.49 112.91 114.19 1upc h THR 475 Ca 0.02 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 1upc h THR 475 Cb 0.19 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1upc h THR 475 CO 0.01 0.54 0.09 0.40 0.37 0.00 0.00 175.52 176.93 1upc h ILE 476 N 0.52 1.24 -0.37 3.11 2.04 -0.80 -1.11 117.51 122.14 1upc h ILE 476 Ca 0.03 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1upc h ILE 476 Cb 1.04 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1upc h ILE 476 CO 0.10 0.29 0.22 0.00 0.00 0.00 0.00 178.15 178.76 1upc h ALA 477 N 0.95 0.48 -0.63 1.87 0.00 -1.11 -1.23 119.26 119.60 1upc h ALA 477 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1upc h ALA 477 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1upc h ALA 477 CO 0.00 -0.02 0.04 -0.09 0.00 0.00 0.00 179.25 179.19 1upc h ARG 478 N 0.49 1.07 0.00 0.00 2.43 -0.84 -1.91 114.38 115.62 1upc h ARG 478 Ca 0.13 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1upc h ARG 478 Cb 0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1upc h ARG 478 CO -0.02 1.02 -0.19 1.28 -1.51 0.00 0.00 179.97 180.54 1upc n LEU 479 N -4.19 0.40 -3.61 3.80 4.77 -0.44 -4.96 117.00 112.77 1upc n LEU 479 Ca 0.03 0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 1upc n LEU 479 Cb 0.33 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1upc n LEU 479 CO 0.44 -0.02 0.06 -3.20 -1.33 0.00 0.00 177.39 173.33 1upc n ASN 480 N -1.77 -2.51 -4.62 -1.43 5.15 -0.49 -4.98 115.26 104.61 1upc n ASN 480 Ca 0.06 -0.71 -0.41 0.00 -0.60 0.00 0.00 54.58 52.93 1upc n ASN 480 Cb 0.37 -4.57 -0.06 0.00 -0.53 0.00 0.00 39.78 34.99 1upc n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upc s LEU 481 N -6.70 4.07 -0.85 1.20 1.43 -1.06 -4.83 118.68 111.93 1upc s LEU 481 Ca 0.14 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1upc s LEU 481 Cb -0.07 -2.83 -0.16 0.00 0.03 0.00 0.00 46.19 43.16 1upc s LEU 481 CO 0.77 -0.37 3.13 -0.81 0.23 0.00 0.00 176.35 179.30 1upc n PRO 482 N 5.71 2.78 -2.66 1.29 -0.04 -1.26 -3.83 135.00 136.99 1upc n PRO 482 Ca -0.01 -1.59 -0.37 0.00 -0.04 0.00 0.00 63.50 61.50 1upc n PRO 482 Cb 0.49 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1upc n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upc s ILE 483 N 1.78 3.96 -0.20 0.52 1.01 -1.26 -4.54 121.20 122.48 1upc s ILE 483 Ca 0.65 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.82 1upc s ILE 483 Cb 0.23 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 1upc s ILE 483 CO -0.03 0.04 -0.10 -0.69 0.00 0.00 0.00 174.94 174.17 1upc s VAL 484 N -1.67 2.98 -0.12 2.92 1.01 -0.28 -1.94 120.40 123.30 1upc s VAL 484 Ca 0.55 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1upc s VAL 484 Cb -0.20 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1upc s VAL 484 CO 0.25 0.47 -0.08 -0.89 0.00 0.00 0.00 175.10 174.85 1upc s THR 485 N 1.31 3.55 -0.27 3.92 2.01 -0.13 -0.19 115.64 125.84 1upc s THR 485 Ca 0.04 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1upc s THR 485 Cb -0.14 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1upc s THR 485 CO -0.05 0.53 0.00 -0.69 -0.69 0.00 0.00 174.62 173.73 1upc s VAL 486 N 0.03 3.39 -0.34 3.82 1.01 0.68 -0.13 120.40 128.86 1upc s VAL 486 Ca -0.02 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1upc s VAL 486 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1upc s VAL 486 CO 0.03 0.15 0.38 -0.69 0.00 0.00 0.00 175.10 174.97 1upc s VAL 487 N 1.41 5.15 -0.45 2.92 1.01 -0.30 -1.58 120.40 128.56 1upc s VAL 487 Ca 0.01 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1upc s VAL 487 Cb -0.17 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1upc s VAL 487 CO -0.01 -0.08 0.53 0.68 0.00 0.00 0.00 175.10 176.22 1upc s VAL 488 N 2.06 4.98 -0.27 2.92 -7.23 -0.54 -1.57 120.40 120.74 1upc s VAL 488 Ca 0.13 -0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 1upc s VAL 488 Cb -0.16 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.62 1upc s VAL 488 CO 0.12 -0.58 0.04 0.21 -0.31 0.00 0.00 175.10 174.57 1upc s ASN 489 N 2.14 4.87 -0.15 4.85 2.47 -0.87 -2.50 114.94 125.75 1upc s ASN 489 Ca 0.15 -0.61 0.15 0.00 0.42 0.00 0.00 52.86 52.97 1upc s ASN 489 Cb -0.17 -1.83 0.33 0.00 -1.45 0.00 0.00 41.25 38.12 1upc s ASN 489 CO 0.14 -0.13 1.17 -0.46 -3.72 0.00 0.00 177.10 174.10 1upc n ASN 490 N 4.83 1.90 -3.86 -4.21 6.94 -1.26 -2.54 115.26 117.06 1upc n ASN 490 Ca -0.16 -3.28 -0.31 0.00 -0.02 0.00 0.00 54.58 50.81 1upc n ASN 490 Cb 0.49 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1upc n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upc n ASP 491 N -1.14 -3.39 -3.59 0.53 8.00 -1.26 -4.93 116.55 110.76 1upc n ASP 491 Ca 0.16 -0.74 -0.16 0.00 0.71 0.00 0.00 54.79 54.76 1upc n ASP 491 Cb 0.69 -2.79 -0.07 0.00 -0.02 0.00 0.00 41.12 38.93 1upc n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upc s THR 492 N -3.10 0.01 -1.13 -3.53 2.01 -1.26 -1.59 115.64 107.05 1upc s THR 492 Ca 0.60 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.35 1upc s THR 492 Cb -0.33 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1upc s THR 492 CO 0.74 -0.03 1.64 0.20 -0.69 0.00 0.00 174.62 176.49 1upc s ASN 493 N -0.67 6.39 0.13 3.53 0.01 0.08 -4.41 114.94 120.01 1upc s ASN 493 Ca -0.07 -1.77 -0.15 0.00 -0.71 0.00 0.00 52.86 50.16 1upc s ASN 493 Cb -0.02 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1upc s ASN 493 CO 0.06 -1.61 1.63 1.23 -1.51 0.00 0.00 177.10 176.90 1upc h GLY 494 N 13.54 0.76 0.84 0.66 0.00 -1.95 -2.11 103.07 114.81 1upc h GLY 494 Ca 0.29 -0.49 0.09 0.00 0.00 0.00 0.00 47.33 47.22 1upc h GLY 494 CO 1.41 0.46 0.52 -2.00 0.00 0.00 0.00 176.54 176.92 1upc h LEU 495 N 0.57 0.66 -0.13 3.11 6.46 -1.93 -1.49 115.31 122.56 1upc h LEU 495 Ca 0.13 0.02 -0.24 0.00 -0.12 0.00 0.00 57.88 57.67 1upc h LEU 495 Cb 0.35 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1upc h LEU 495 CO 0.01 0.40 -0.97 0.40 -0.62 0.00 0.00 178.44 177.66 1upc h ILE 496 N 0.74 1.37 -0.96 4.05 1.08 -1.81 -2.46 117.51 119.52 1upc h ILE 496 Ca 0.37 -2.40 0.07 0.00 -0.39 0.00 0.00 64.86 62.50 1upc h ILE 496 Cb 0.44 2.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.53 1upc h ILE 496 CO -0.14 0.72 0.62 -0.08 -0.69 0.00 0.00 178.15 178.59 1upc h GLU 497 N 0.27 1.08 -0.23 2.37 4.81 -0.83 -0.90 114.58 121.16 1upc h GLU 497 Ca -0.09 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1upc h GLU 497 Cb 1.61 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1upc h GLU 497 CO 0.17 0.72 0.13 1.25 -0.73 0.00 0.00 179.01 180.55 1upc h LEU 498 N 1.11 0.29 -1.32 1.64 6.46 -1.06 -1.93 115.31 120.50 1upc h LEU 498 Ca 0.41 -0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 1upc h LEU 498 Cb 0.18 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1upc h LEU 498 CO -0.16 0.29 -0.12 1.88 -0.62 0.00 0.00 178.44 179.70 1upc h TYR 499 N 0.26 0.32 -0.89 1.25 0.05 -1.03 0.80 116.97 117.73 1upc h TYR 499 Ca 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1upc h TYR 499 Cb 0.06 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 1upc h TYR 499 CO -0.04 0.43 0.53 1.96 -1.05 0.00 0.00 178.16 179.99 1upc h GLN 500 N 0.29 1.22 -0.15 4.88 4.20 -0.80 -2.12 115.11 122.63 1upc h GLN 500 Ca 0.06 -0.12 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 1upc h GLN 500 Cb 0.40 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1upc h GLN 500 CO 0.02 0.86 -0.73 -0.91 -0.67 0.00 0.00 178.83 177.40 1upc h ASN 501 N 1.23 0.80 -0.68 1.46 2.35 -0.50 -0.25 115.58 119.99 1upc h ASN 501 Ca 0.32 -0.51 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1upc h ASN 501 Cb -0.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1upc h ASN 501 CO -0.06 1.29 0.45 0.40 -1.65 0.00 0.00 177.43 177.86 1upc h ILE 502 N 0.47 1.18 0.13 2.81 2.04 -0.81 -0.95 117.51 122.38 1upc h ILE 502 Ca -0.04 -0.34 -0.28 0.00 1.00 0.00 0.00 64.86 65.21 1upc h ILE 502 Cb 1.34 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1upc h ILE 502 CO 0.14 0.17 -1.30 1.23 0.00 0.00 0.00 178.15 178.39 1upc h GLY 503 N 0.92 0.31 0.00 5.37 0.00 -1.31 -3.40 103.07 104.96 1upc h GLY 503 Ca 0.25 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1upc h GLY 503 CO -0.05 0.70 0.00 1.42 0.00 0.00 0.00 176.54 178.61 1upc n HIS 504 N -3.52 0.00 -2.09 5.60 8.25 -0.11 -5.03 115.22 118.32 1upc n HIS 504 Ca -0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 1upc n HIS 504 Cb 1.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.11 1upc n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upc n HIS 505 N -0.26 -0.88 -3.75 4.41 -0.00 -0.36 -4.95 115.22 109.43 1upc n HIS 505 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1upc n HIS 505 Cb 0.06 -3.18 -0.02 0.00 -0.00 0.00 0.00 29.99 26.85 1upc n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upc s ARG 506 N -4.46 1.29 0.43 -0.41 1.70 -1.26 -4.98 118.95 111.26 1upc s ARG 506 Ca 0.00 -0.69 -0.02 0.00 -0.47 0.00 0.00 55.73 54.55 1upc s ARG 506 Cb 0.00 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 1upc s ARG 506 CO 0.00 -0.59 0.67 -1.12 -1.08 0.00 0.00 175.30 173.18 1upc s SER 507 N -2.90 6.10 -0.25 -2.89 0.01 -1.26 -3.67 113.70 108.84 1upc s SER 507 Ca 0.11 0.55 -0.03 0.00 1.31 0.00 0.00 55.95 57.89 1upc s SER 507 Cb -0.02 -1.92 0.10 0.00 0.21 0.00 0.00 66.02 64.39 1upc s SER 507 CO 0.02 -0.55 0.19 -2.28 0.41 0.00 0.00 173.24 171.03 1upc s HIS 508 N -2.55 -0.05 0.25 2.43 2.46 -1.26 -5.07 115.29 111.50 1upc s HIS 508 Ca 0.45 -0.34 -0.03 0.00 0.47 0.00 0.00 55.06 55.61 1upc s HIS 508 Cb -0.10 -0.63 0.31 0.00 -0.13 0.00 0.00 32.58 32.03 1upc s HIS 508 CO 0.40 -0.75 1.77 -0.44 -2.47 0.00 0.00 174.74 173.24 1upc h ASP 509 N 8.35 0.83 0.00 9.88 3.32 -1.99 -2.82 116.42 133.99 1upc h ASP 509 Ca -0.17 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1upc h ASP 509 Cb 1.08 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1upc h ASP 509 CO 0.35 0.85 0.16 -0.65 -1.72 0.00 0.00 179.24 178.23 1upc h PRO 510 N 0.82 0.00 -0.01 3.56 0.11 -1.98 0.08 132.00 134.58 1upc h PRO 510 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1upc h PRO 510 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1upc h PRO 510 CO 0.01 0.00 -0.51 0.00 -0.21 0.00 0.00 178.00 177.29 1upc n ALA 511 N -1.97 3.64 -0.14 -0.75 0.00 -1.06 -4.65 120.51 115.58 1upc n ALA 511 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1upc n ALA 511 Cb 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1upc n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upc n VAL 512 N -0.69 0.00 -3.78 0.00 0.24 -0.97 -4.98 118.33 108.15 1upc n VAL 512 Ca 0.09 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.02 1upc n VAL 512 Cb 0.39 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.17 1upc n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upc s LYS 513 N 0.00 3.62 0.31 7.34 -0.14 -0.02 -0.74 119.74 130.11 1upc s LYS 513 Ca 0.00 -0.02 0.09 0.00 -1.36 0.00 0.00 55.97 54.67 1upc s LYS 513 Cb 0.00 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 1upc s LYS 513 CO 0.00 0.71 0.10 -0.06 -0.76 0.00 0.00 175.35 175.34 1upc s PHE 514 N -0.88 2.73 0.22 3.18 0.08 -0.62 -4.90 117.98 117.80 1upc s PHE 514 Ca 0.16 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 1upc s PHE 514 Cb -0.13 -1.48 0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1upc s PHE 514 CO 0.05 0.44 0.27 0.41 -0.10 0.00 0.00 175.22 176.29 1upc n GLY 515 N -1.07 -1.52 3.76 4.36 0.00 -1.26 -4.80 105.19 104.65 1upc n GLY 515 Ca -0.04 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1upc n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upc s GLY 516 N -3.44 3.06 -0.05 -0.02 0.00 -1.26 -4.89 107.32 100.71 1upc s GLY 516 Ca 0.16 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.50 1upc s GLY 516 CO 0.11 1.14 -0.13 0.14 0.00 0.00 0.00 173.10 174.37 1upc s VAL 517 N -1.27 1.14 -0.84 1.40 1.01 -1.26 -5.09 120.40 115.49 1upc s VAL 517 Ca 0.43 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1upc s VAL 517 Cb -0.25 -1.02 0.16 0.00 0.00 0.00 0.00 36.38 35.27 1upc s VAL 517 CO 0.30 0.35 0.93 -0.62 0.00 0.00 0.00 175.10 176.07 1upc s ASP 518 N 0.46 6.62 0.53 3.32 -1.08 -1.26 -4.88 116.67 120.38 1upc s ASP 518 Ca -0.11 -2.20 0.31 0.00 -0.52 0.00 0.00 52.55 50.04 1upc s ASP 518 Cb -0.14 -2.31 1.30 0.00 -1.46 0.00 0.00 42.92 40.31 1upc s ASP 518 CO 0.03 -0.89 1.97 -0.26 0.52 0.00 0.00 175.17 176.54 1upc h PHE 519 N 8.49 0.00 0.10 -5.34 0.04 -1.98 0.29 116.94 118.54 1upc h PHE 519 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1upc h PHE 519 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1upc h PHE 519 CO 1.07 0.06 -0.05 0.28 -0.60 0.00 0.00 178.31 179.07 1upc h VAL 520 N 0.00 1.06 -0.54 -0.55 2.07 -1.90 -0.29 116.25 116.09 1upc h VAL 520 Ca -0.00 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1upc h VAL 520 Cb 0.54 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1upc h VAL 520 CO 0.01 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.76 1upc h ALA 521 N 0.46 1.00 -0.30 1.67 0.00 -1.87 -1.66 119.26 118.55 1upc h ALA 521 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 521 Cb 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1upc h ALA 521 CO 0.02 0.62 0.12 1.25 0.00 0.00 0.00 179.25 181.26 1upc h LEU 522 N 0.85 0.16 -0.05 0.00 5.85 -0.88 0.83 115.31 122.06 1upc h LEU 522 Ca 0.16 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1upc h LEU 522 Cb 0.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1upc h LEU 522 CO 0.02 0.13 -0.09 0.00 -0.34 0.00 0.00 178.44 178.16 1upc h ALA 523 N 1.17 -0.05 -0.20 1.25 0.00 -0.91 -2.91 119.26 117.62 1upc h ALA 523 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1upc h ALA 523 Cb 0.08 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1upc h ALA 523 CO -0.12 -0.56 -0.12 0.93 0.00 0.00 0.00 179.25 179.38 1upc h GLU 524 N -0.13 0.32 -0.28 0.00 5.08 -0.67 -0.24 114.58 118.65 1upc h GLU 524 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1upc h GLU 524 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1upc h GLU 524 CO -0.13 0.45 0.18 0.00 -1.00 0.00 0.00 179.01 178.50 1upc h ALA 525 N 1.58 1.78 -0.08 3.43 0.00 -0.69 -1.41 119.26 123.87 1upc h ALA 525 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 525 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1upc h ALA 525 CO 0.02 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1upc n ASN 526 N -4.49 0.81 -0.15 0.00 3.02 -0.15 -4.92 115.26 109.39 1upc n ASN 526 Ca 0.01 -1.57 -0.02 0.00 -0.03 0.00 0.00 54.58 52.98 1upc n ASN 526 Cb 0.08 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1upc n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upc n GLY 527 N 0.95 0.41 3.30 7.41 0.00 -0.53 -4.45 105.19 112.28 1upc n GLY 527 Ca 0.15 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1upc n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 528 N -2.07 3.24 0.50 1.61 1.01 -0.93 -4.90 120.40 118.86 1upc s VAL 528 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1upc s VAL 528 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1upc s VAL 528 CO 0.00 0.44 1.28 -1.81 0.00 0.00 0.00 175.10 175.01 1upc s ASP 529 N 1.40 5.69 0.16 3.32 1.01 -1.26 -2.70 116.67 124.29 1upc s ASP 529 Ca 0.05 2.59 -0.14 0.00 0.71 0.00 0.00 52.55 55.76 1upc s ASP 529 Cb -0.14 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.18 1upc s ASP 529 CO -0.04 -1.27 0.40 0.00 0.21 0.00 0.00 175.17 174.48 1upc s ALA 530 N -1.39 -0.60 0.17 5.23 0.00 -1.26 -1.85 121.76 122.06 1upc s ALA 530 Ca 0.67 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1upc s ALA 530 Cb -0.36 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1upc s ALA 530 CO 0.43 -0.70 0.34 -0.08 0.00 0.00 0.00 175.76 175.74 1upc s THR 531 N -3.89 0.06 0.23 0.00 -1.32 -0.70 -4.97 115.64 105.05 1upc s THR 531 Ca 0.10 -1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 59.23 1upc s THR 531 Cb 0.01 -1.76 -0.07 0.00 -1.51 0.00 0.00 72.50 69.17 1upc s THR 531 CO -0.04 -0.27 0.58 -0.60 -2.21 0.00 0.00 174.62 172.08 1upc s ARG 532 N -3.94 3.87 -0.11 7.08 3.52 -1.26 -2.27 118.95 125.84 1upc s ARG 532 Ca 0.15 0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 56.08 1upc s ARG 532 Cb 0.02 -2.66 0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1upc s ARG 532 CO -0.01 0.32 0.27 0.00 -0.81 0.00 0.00 175.30 175.06 1upc s ALA 533 N -1.78 -0.62 0.00 6.12 0.00 -0.74 -4.90 121.76 119.84 1upc s ALA 533 Ca 0.47 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1upc s ALA 533 Cb -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1upc s ALA 533 CO 0.20 -0.20 0.38 0.25 0.00 0.00 0.00 175.76 176.39 1upc n THR 534 N 4.16 0.00 -3.99 0.00 -2.24 -1.26 -4.15 114.28 106.80 1upc n THR 534 Ca -0.24 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.00 1upc n THR 534 Cb 0.53 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1upc n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upc s ASN 535 N -0.09 0.36 0.24 3.42 2.20 -1.26 -4.16 114.94 115.65 1upc s ASN 535 Ca 0.00 -1.21 -0.05 0.00 -0.94 0.00 0.00 52.86 50.66 1upc s ASN 535 Cb 0.00 0.68 0.40 0.00 -2.00 0.00 0.00 41.25 40.33 1upc s ASN 535 CO 0.00 -1.33 1.76 0.03 -2.94 0.00 0.00 177.10 174.62 1upc h ARG 536 N 2.13 0.55 -0.20 3.55 3.08 -1.95 -0.80 114.38 120.73 1upc h ARG 536 Ca -0.28 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.59 1upc h ARG 536 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1upc h ARG 536 CO 0.38 0.36 -0.45 1.49 -1.07 0.00 0.00 179.97 180.68 1upc h GLU 537 N 0.56 0.66 -0.68 0.04 4.81 -1.99 -0.26 114.58 117.72 1upc h GLU 537 Ca 0.39 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1upc h GLU 537 Cb 0.49 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1upc h GLU 537 CO -0.32 1.06 0.12 0.93 -0.73 0.00 0.00 179.01 180.07 1upc h GLU 538 N 0.35 1.13 -0.54 1.92 5.08 -1.94 -2.78 114.58 117.80 1upc h GLU 538 Ca 0.00 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1upc h GLU 538 Cb 1.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1upc h GLU 538 CO 0.10 1.02 0.14 1.25 -1.00 0.00 0.00 179.01 180.52 1upc h LEU 539 N 1.05 0.82 -0.88 1.33 5.85 -1.01 -2.21 115.31 120.26 1upc h LEU 539 Ca 0.21 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1upc h LEU 539 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1upc h LEU 539 CO 0.01 0.83 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.76 1upc h LEU 540 N 0.76 0.68 -0.63 2.25 3.38 -1.00 -0.90 115.31 119.85 1upc h LEU 540 Ca 0.17 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1upc h LEU 540 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1upc h LEU 540 CO 0.00 0.83 -0.31 0.00 0.09 0.00 0.00 178.44 179.05 1upc h ALA 541 N 1.24 0.81 -0.16 1.53 0.00 -1.40 -2.09 119.26 119.19 1upc h ALA 541 Ca 0.11 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1upc h ALA 541 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1upc h ALA 541 CO 0.04 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1upc h ALA 542 N 1.02 0.22 -0.48 0.00 0.00 -1.14 -1.01 119.26 117.86 1upc h ALA 542 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1upc h ALA 542 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1upc h ALA 542 CO 0.07 -0.05 0.30 -0.07 0.00 0.00 0.00 179.25 179.50 1upc h LEU 543 N 0.01 0.57 -0.38 0.00 3.38 -1.16 0.11 115.31 117.86 1upc h LEU 543 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1upc h LEU 543 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1upc h LEU 543 CO 0.01 0.45 -0.15 0.03 0.09 0.00 0.00 178.44 178.87 1upc h ARG 544 N 0.65 0.77 -0.19 1.13 3.08 -1.35 0.96 114.38 119.43 1upc h ARG 544 Ca 0.17 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1upc h ARG 544 Cb -0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1upc h ARG 544 CO -0.03 0.94 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.51 1upc h LYS 545 N 0.57 -0.04 -0.80 0.04 3.64 -0.98 -3.01 116.57 115.98 1upc h LYS 545 Ca 0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1upc h LYS 545 Cb 0.69 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1upc h LYS 545 CO 0.05 -0.03 0.52 0.78 -2.27 0.00 0.00 179.45 178.50 1upc h GLY 546 N -0.04 1.14 2.00 5.01 0.00 -0.58 -1.83 103.07 108.78 1upc h GLY 546 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1upc h GLY 546 CO -0.22 0.36 -0.08 0.00 0.00 0.00 0.00 176.54 176.60 1upc h ALA 547 N 1.32 1.13 -0.22 3.60 0.00 -0.74 -2.86 119.26 121.48 1upc h ALA 547 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1upc h ALA 547 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1upc h ALA 547 CO -0.09 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1upc n GLU 548 N -3.38 2.10 0.18 0.00 1.02 -1.05 -4.63 120.64 114.89 1upc n GLU 548 Ca -0.01 -1.73 0.06 0.00 -0.02 0.00 0.00 57.16 55.46 1upc n GLU 548 Cb 0.25 -1.23 0.20 0.00 -0.02 0.00 0.00 31.44 30.63 1upc n GLU 548 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1upc h LEU 549 N 1.93 0.00 1.01 -4.62 5.85 -1.10 -3.47 115.31 114.91 1upc h LEU 549 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1upc h LEU 549 Cb 0.62 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 1upc h LEU 549 CO 0.00 0.33 -0.34 0.61 -0.34 0.00 0.00 178.44 178.71 1upc n GLY 550 N 0.83 1.51 3.25 3.75 0.00 -1.26 -4.96 105.19 108.31 1upc n GLY 550 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1upc n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upc s ARG 551 N -3.63 0.92 0.78 1.61 0.52 -1.26 -4.86 118.95 113.03 1upc s ARG 551 Ca 0.00 -0.80 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 1upc s ARG 551 Cb 0.00 0.39 0.06 0.00 0.52 0.00 0.00 34.95 35.93 1upc s ARG 551 CO 0.00 -0.32 1.15 -1.25 0.02 0.00 0.00 175.30 174.90 1upc s PRO 552 N -3.64 1.97 -0.20 3.54 0.04 -1.25 -4.59 135.00 130.88 1upc s PRO 552 Ca 0.03 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 1upc s PRO 552 Cb 0.03 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.79 1upc s PRO 552 CO -0.10 -1.91 0.56 0.12 0.04 0.00 0.00 177.00 175.71 1upc s PHE 553 N -2.41 -0.61 0.05 0.56 5.36 -0.82 -4.04 117.98 116.07 1upc s PHE 553 Ca 0.68 1.47 0.07 0.00 -0.96 0.00 0.00 56.93 58.19 1upc s PHE 553 Cb -0.23 0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 42.63 1upc s PHE 553 CO 0.50 -0.31 -0.20 -1.17 -1.46 0.00 0.00 175.22 172.58 1upc s LEU 554 N 0.21 2.18 -0.07 6.12 0.20 -0.77 -0.96 118.68 125.58 1upc s LEU 554 Ca -0.01 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 54.29 1upc s LEU 554 Cb -0.04 -0.93 0.02 0.00 -0.43 0.00 0.00 46.19 44.81 1upc s LEU 554 CO 0.01 0.14 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.50 1upc s ILE 555 N -0.84 0.90 -0.16 6.68 1.01 0.82 -1.71 121.20 127.90 1upc s ILE 555 Ca 0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1upc s ILE 555 Cb -0.09 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1upc s ILE 555 CO 0.02 0.32 0.04 -0.70 0.00 0.00 0.00 174.94 174.61 1upc s GLU 556 N 1.07 3.77 -0.18 2.79 2.12 -0.96 -1.15 118.70 126.16 1upc s GLU 556 Ca -0.08 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1upc s GLU 556 Cb -0.14 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.18 1upc s GLU 556 CO -0.01 0.35 -0.13 0.08 -0.54 0.00 0.00 175.26 175.01 1upc s VAL 557 N 0.13 1.68 0.19 3.70 1.01 -0.61 -1.78 120.40 124.72 1upc s VAL 557 Ca 0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 1upc s VAL 557 Cb -0.13 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 1upc s VAL 557 CO 0.01 0.34 1.42 -2.16 0.00 0.00 0.00 175.10 174.71 1upc s PRO 558 N 1.41 4.30 0.20 2.72 0.04 -1.26 -2.04 135.00 140.37 1upc s PRO 558 Ca 0.02 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1upc s PRO 558 Cb -0.14 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1upc s PRO 558 CO -0.10 -0.42 0.05 0.14 0.04 0.00 0.00 177.00 176.71 1upc s VAL 559 N 0.48 0.55 0.24 -0.36 -7.23 -1.05 -1.12 120.40 111.91 1upc s VAL 559 Ca 0.62 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1upc s VAL 559 Cb -0.40 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1upc s VAL 559 CO 0.37 -0.27 0.26 0.20 -0.31 0.00 0.00 175.10 175.34 1upc s ASN 560 N -3.21 0.33 0.00 4.85 -0.87 -1.19 -4.20 114.94 110.65 1upc s ASN 560 Ca 0.30 -1.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.25 1upc s ASN 560 Cb 0.07 0.47 0.00 0.00 -0.02 0.00 0.00 41.25 41.77 1upc s ASN 560 CO 0.08 -0.97 0.00 -1.22 -2.57 0.00 0.00 177.10 172.41 1upc n TYR 561 N -0.36 0.00 -4.06 2.20 4.01 -1.26 -4.61 117.16 113.08 1upc n TYR 561 Ca 0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.48 1upc n TYR 561 Cb 0.64 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 1upc n TYR 561 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1upc n ASP 562 N -1.98 -0.11 -4.85 7.72 3.85 -1.26 -4.87 116.55 115.05 1upc n ASP 562 Ca 0.00 -1.09 -0.31 0.00 -0.71 0.00 0.00 54.79 52.68 1upc n ASP 562 Cb 0.37 -2.60 0.04 0.00 -1.35 0.00 0.00 41.12 37.58 1upc n ASP 562 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1upc s PHE 563 N -4.07 3.32 -0.48 2.11 -0.12 -1.26 -5.04 117.98 112.44 1upc s PHE 563 Ca 0.02 1.24 -0.02 0.00 -0.05 0.00 0.00 56.93 58.13 1upc s PHE 563 Cb -0.01 -2.90 0.13 0.00 -0.63 0.00 0.00 43.02 39.60 1upc s PHE 563 CO 0.92 -1.09 0.27 -1.14 -0.05 0.00 0.00 175.22 174.13 1upc s GLN 564 N -5.19 2.12 0.31 1.99 2.00 -1.26 -5.00 119.66 114.62 1upc s GLN 564 Ca 0.57 -2.12 0.07 0.00 -2.00 0.00 0.00 55.36 51.88 1upc s GLN 564 Cb -0.12 -3.57 0.83 0.00 0.80 0.00 0.00 33.01 30.95 1upc s GLN 564 CO 0.54 -1.09 1.68 -1.35 -0.50 0.00 0.00 175.29 174.56 1upc h PRO 565 N 7.55 0.35 0.00 1.67 0.11 -1.93 -2.78 132.00 136.97 1upc h PRO 565 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1upc h PRO 565 Cb 1.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1upc h PRO 565 CO 0.68 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 1upc n GLY 566 N -1.33 -0.93 0.60 -0.55 0.00 -1.26 -3.33 105.19 98.39 1upc n GLY 566 Ca 0.25 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.51 1upc n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upc n GLY 567 N -0.90 0.34 1.73 -0.02 0.00 -1.05 -4.45 105.19 100.83 1upc n GLY 567 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1upc n GLY 567 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upc n PHE 568 N 0.43 2.15 0.31 1.61 3.72 -1.21 -3.22 117.46 121.25 1upc n PHE 568 Ca 0.17 -2.11 0.19 0.00 -0.05 0.00 0.00 57.45 55.66 1upc n PHE 568 Cb 0.38 -0.70 1.03 0.00 -0.94 0.00 0.00 39.48 39.25 1upc n PHE 568 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upc h GLY 569 N 1.53 0.00 2.00 1.37 0.00 -1.86 -2.75 103.07 103.36 1upc h GLY 569 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1upc h GLY 569 CO 0.81 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.35 1upc h ALA 570 N 1.89 1.00 0.00 3.60 0.00 -1.82 -3.11 119.26 120.81 1upc h ALA 570 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 570 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1upc h ALA 570 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1upc n LEU 571 N -2.49 0.00 -0.93 0.00 4.77 -1.04 -4.91 117.00 112.40 1upc n LEU 571 Ca 0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 1upc n LEU 571 Cb 0.21 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1upc n LEU 571 CO 0.20 0.00 0.65 -1.20 -1.33 0.00 0.00 177.39 175.71