#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uph n ALA 3 N 0.00 4.93 -3.61 4.61 0.00 -1.26 -4.90 120.51 120.28 1uph n ALA 3 Ca 0.00 -4.55 -0.01 0.00 0.00 0.00 0.00 53.44 48.89 1uph n ALA 3 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 19.45 16.76 1uph n ALA 3 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1uph s ARG 4 N -0.91 0.32 0.33 0.00 3.03 -1.26 -5.18 118.95 115.28 1uph s ARG 4 Ca 0.35 -0.16 0.08 0.00 2.03 0.00 0.00 55.73 58.03 1uph s ARG 4 Cb 0.03 0.12 -0.03 0.00 -1.03 0.00 0.00 34.95 34.04 1uph s ARG 4 CO 0.03 -0.14 0.27 0.00 -1.13 0.00 0.00 175.30 174.33 1uph s ALA 5 N -2.37 3.78 -0.40 7.88 0.00 -1.26 -5.07 121.76 124.32 1uph s ALA 5 Ca 0.12 -1.65 0.10 0.00 0.00 0.00 0.00 51.96 50.53 1uph s ALA 5 Cb 0.03 -1.14 0.34 0.00 0.00 0.00 0.00 23.12 22.35 1uph s ALA 5 CO -0.04 0.03 0.89 0.43 0.00 0.00 0.00 175.76 177.06 1uph n SER 6 N -1.34 -0.40 0.00 0.00 7.64 -1.26 -4.97 113.62 113.29 1uph n SER 6 Ca -0.02 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1uph n SER 6 Cb 0.60 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1uph n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uph n VAL 7 N 0.30 0.00 -4.47 0.44 0.31 -1.26 -4.02 118.33 109.62 1uph n VAL 7 Ca 0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.26 1uph n VAL 7 Cb 0.68 -0.21 -0.08 0.00 -0.91 0.00 0.00 33.84 33.32 1uph n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1uph s LEU 8 N -3.48 1.93 0.00 7.52 1.43 -1.26 -4.78 118.68 120.04 1uph s LEU 8 Ca 0.00 -1.72 -0.08 0.00 -1.03 0.00 0.00 54.13 51.30 1uph s LEU 8 Cb 0.00 0.07 0.17 0.00 0.03 0.00 0.00 46.19 46.46 1uph s LEU 8 CO 0.00 -0.99 1.10 -0.24 0.23 0.00 0.00 176.35 176.45 1uph n SER 9 N -1.43 0.72 0.22 2.29 2.88 -1.26 -4.80 113.62 112.23 1uph n SER 9 Ca -0.03 -1.79 -0.15 0.00 -1.33 0.00 0.00 58.87 55.57 1uph n SER 9 Cb 0.64 -0.79 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 1uph n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1uph h GLY 10 N -1.09 -0.75 0.70 0.46 0.00 -2.02 0.33 103.07 100.71 1uph h GLY 10 Ca -0.36 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1uph h GLY 10 CO 0.32 -0.28 0.15 -1.33 0.00 0.00 0.00 176.54 175.40 1uph h GLY 11 N -0.68 0.51 1.84 4.60 0.00 -1.99 -0.28 103.07 107.06 1uph h GLY 11 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1uph h GLY 11 CO -0.05 0.05 0.05 0.83 0.00 0.00 0.00 176.54 177.41 1uph h GLU 12 N 0.32 0.21 -0.24 4.80 5.08 -1.86 -0.85 114.58 122.04 1uph h GLU 12 Ca 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1uph h GLU 12 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1uph h GLU 12 CO -0.16 0.19 -0.12 1.25 -1.00 0.00 0.00 179.01 179.17 1uph h LEU 13 N 0.21 0.51 -0.71 1.33 7.12 0.12 0.35 115.31 124.24 1uph h LEU 13 Ca 0.05 -0.41 0.01 0.00 0.13 0.00 0.00 57.88 57.66 1uph h LEU 13 Cb 0.07 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1uph h LEU 13 CO -0.00 0.81 0.46 0.44 -0.13 0.00 0.00 178.44 180.02 1uph h ASP 14 N 0.21 0.81 0.64 1.25 3.32 -0.27 0.14 116.42 122.53 1uph h ASP 14 Ca 0.05 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1uph h ASP 14 Cb 0.62 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1uph h ASP 14 CO 0.04 0.59 -0.48 0.50 -1.72 0.00 0.00 179.24 178.16 1uph h LYS 15 N 0.96 0.00 -0.14 3.56 3.64 -1.05 -2.45 116.57 121.09 1uph h LYS 15 Ca 0.26 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1uph h LYS 15 Cb -0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1uph h LYS 15 CO -0.06 0.48 -0.41 2.35 -2.27 0.00 0.00 179.45 179.55 1uph h TRP 16 N 0.00 0.37 -0.54 1.91 2.91 0.11 -2.37 115.95 118.34 1uph h TRP 16 Ca -0.00 -0.10 -0.29 0.00 1.13 0.00 0.00 58.89 59.63 1uph h TRP 16 Cb 0.94 -0.08 -0.17 0.00 -0.51 0.00 0.00 29.16 29.34 1uph h TRP 16 CO 0.00 0.68 0.37 0.39 -1.03 0.00 0.00 178.44 178.84 1uph n GLU 17 N -4.03 1.70 0.00 2.65 1.02 0.36 -3.46 120.64 118.89 1uph n GLU 17 Ca -0.01 -1.64 0.01 0.00 -0.02 0.00 0.00 57.16 55.50 1uph n GLU 17 Cb 0.49 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uph n LYS 18 N -0.33 3.39 -3.04 3.49 4.81 -0.89 -4.58 118.16 121.01 1uph n LYS 18 Ca 0.32 -0.27 -0.40 0.00 -0.87 0.00 0.00 58.31 57.10 1uph n LYS 18 Cb 1.08 -0.78 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 1uph n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1uph s ILE 19 N -0.77 5.00 0.26 3.15 1.09 -1.22 -4.80 121.20 123.90 1uph s ILE 19 Ca 0.02 1.38 -0.17 0.00 -1.10 0.00 0.00 60.65 60.77 1uph s ILE 19 Cb 0.02 -4.02 -0.08 0.00 -1.06 0.00 0.00 42.46 37.31 1uph s ILE 19 CO 0.06 0.14 0.71 -0.13 -0.10 0.00 0.00 174.94 175.62 1uph s ARG 20 N 1.58 4.12 0.06 2.79 0.52 -0.11 -0.68 118.95 127.23 1uph s ARG 20 Ca 0.34 0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 56.15 1uph s ARG 20 Cb -0.17 -2.70 -0.25 0.00 0.52 0.00 0.00 34.95 32.35 1uph s ARG 20 CO 0.13 0.30 1.15 -0.07 0.02 0.00 0.00 175.30 176.84 1uph h LEU 21 N 2.94 0.88 -9.60 2.53 3.38 -1.42 0.28 115.31 114.30 1uph h LEU 21 Ca -0.48 -0.77 -0.61 0.00 0.09 0.00 0.00 57.88 56.11 1uph h LEU 21 Cb 1.18 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1uph h LEU 21 CO 0.65 1.54 -0.62 -0.60 0.09 0.00 0.00 178.44 179.51 1uph s ARG 22 N -3.19 2.66 0.13 1.13 3.52 -1.26 -4.57 118.95 117.37 1uph s ARG 22 Ca -0.10 -0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 54.54 1uph s ARG 22 Cb 0.06 -2.54 -0.08 0.00 -1.56 0.00 0.00 34.95 30.83 1uph s ARG 22 CO 0.92 0.50 1.32 -1.00 -0.81 0.00 0.00 175.30 176.23 1uph h PRO 23 N 2.87 0.48 -0.00 5.12 0.13 -1.98 -3.03 132.00 135.58 1uph h PRO 23 Ca -0.47 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1uph h PRO 23 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uph h PRO 23 CO 0.61 1.11 -0.06 0.41 -0.23 0.00 0.00 178.00 179.84 1uph n GLY 24 N 0.84 -1.22 0.00 1.56 0.00 -1.26 -5.02 105.19 100.10 1uph n GLY 24 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1uph n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uph n GLY 25 N 1.33 2.06 0.00 -0.02 0.00 -1.15 -5.10 105.19 102.32 1uph n GLY 25 Ca 0.13 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1uph n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uph n LYS 26 N 0.80 0.00 -3.91 1.61 4.76 -1.26 -4.56 118.16 115.59 1uph n LYS 26 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1uph n LYS 26 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1uph n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1uph s LYS 27 N 0.00 1.18 0.28 1.97 1.02 -1.26 -5.05 119.74 117.89 1uph s LYS 27 Ca 0.00 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1uph s LYS 27 Cb 0.00 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.58 1uph s LYS 27 CO 0.00 -0.56 0.08 1.14 -0.92 0.00 0.00 175.35 175.09 1uph s GLN 28 N -2.08 1.50 1.11 1.68 -2.07 -1.26 -1.04 119.66 117.51 1uph s GLN 28 Ca 0.24 -1.82 -0.12 0.00 -1.82 0.00 0.00 55.36 51.84 1uph s GLN 28 Cb -0.02 -0.49 0.26 0.00 -1.09 0.00 0.00 33.01 31.66 1uph s GLN 28 CO 0.05 -0.25 1.05 0.71 -1.32 0.00 0.00 175.29 175.53 1uph s TYR 29 N -3.58 1.39 0.14 9.60 1.51 0.14 -4.88 117.35 121.68 1uph s TYR 29 Ca 0.37 1.33 -0.24 0.00 -1.01 0.00 0.00 57.07 57.52 1uph s TYR 29 Cb 0.08 -3.15 0.08 0.00 -0.11 0.00 0.00 41.96 38.86 1uph s TYR 29 CO 0.14 -3.67 1.07 -1.59 -1.11 0.00 0.00 175.55 170.40 1uph s LYS 30 N -4.49 1.11 0.59 -0.62 -2.85 -1.26 -4.41 119.74 107.80 1uph s LYS 30 Ca 0.68 -0.69 0.29 0.00 -1.00 0.00 0.00 55.97 55.25 1uph s LYS 30 Cb -0.25 0.33 1.61 0.00 -2.06 0.00 0.00 37.83 37.47 1uph s LYS 30 CO 0.63 -0.52 2.04 1.25 0.10 0.00 0.00 175.35 178.86 1uph h LEU 31 N 2.00 0.00 -0.38 2.77 7.12 -1.96 0.18 115.31 125.03 1uph h LEU 31 Ca -0.27 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.72 1uph h LEU 31 Cb 1.22 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 1uph h LEU 31 CO 0.32 0.00 0.15 0.50 -0.13 0.00 0.00 178.44 179.29 1uph h LYS 32 N 0.00 0.58 -0.18 1.25 3.64 -1.98 0.26 116.57 120.13 1uph h LYS 32 Ca 0.12 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1uph h LYS 32 Cb 0.67 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1uph h LYS 32 CO -0.00 0.55 -0.54 0.45 -2.27 0.00 0.00 179.45 177.64 1uph h HIS 33 N 0.48 0.67 -0.44 1.91 3.86 -1.09 0.93 115.15 121.46 1uph h HIS 33 Ca 0.13 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1uph h HIS 33 Cb 0.19 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1uph h HIS 33 CO -0.00 0.95 0.19 0.82 0.86 0.00 0.00 177.93 180.76 1uph h ILE 34 N 0.41 1.19 -0.02 2.45 2.04 -0.82 0.27 117.51 123.04 1uph h ILE 34 Ca 0.01 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.16 1uph h ILE 34 Cb 1.07 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1uph h ILE 34 CO 0.10 0.22 -0.61 0.58 0.00 0.00 0.00 178.15 178.43 1uph h VAL 35 N 0.57 1.42 -0.28 1.67 2.07 -0.38 0.17 116.25 121.49 1uph h VAL 35 Ca 0.15 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 1uph h VAL 35 Cb 0.16 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1uph h VAL 35 CO -0.02 0.60 0.03 -0.25 0.02 0.00 0.00 177.57 177.95 1uph h TRP 36 N 0.05 0.52 -0.03 1.57 7.01 -0.18 0.41 115.95 125.29 1uph h TRP 36 Ca -0.01 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 1uph h TRP 36 Cb 1.09 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.01 1uph h TRP 36 CO 0.01 0.60 -0.02 0.00 -2.79 0.00 0.00 178.44 176.24 1uph h ALA 37 N 0.85 0.05 -0.67 2.65 0.00 -0.32 -0.59 119.26 121.23 1uph h ALA 37 Ca 0.08 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1uph h ALA 37 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1uph h ALA 37 CO 0.01 -0.22 0.44 0.66 0.00 0.00 0.00 179.25 180.14 1uph h SER 38 N -0.34 0.53 -0.24 0.00 4.64 -0.59 0.71 113.55 118.26 1uph h SER 38 Ca 0.01 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1uph h SER 38 Cb 0.46 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1uph h SER 38 CO 0.01 0.33 -0.33 0.03 -0.87 0.00 0.00 176.83 176.00 1uph h ARG 39 N 0.59 0.64 0.02 4.77 3.08 0.01 -1.26 114.38 122.24 1uph h ARG 39 Ca 0.30 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1uph h ARG 39 Cb 0.39 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1uph h ARG 39 CO -0.10 0.98 -0.01 1.49 -1.07 0.00 0.00 179.97 181.27 1uph h GLU 40 N 0.34 -0.02 0.01 0.04 4.57 0.18 0.11 114.58 119.81 1uph h GLU 40 Ca 0.03 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1uph h GLU 40 Cb 0.91 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1uph h GLU 40 CO 0.08 0.02 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.78 1uph h LEU 41 N -0.06 -0.22 -1.70 1.64 4.07 -0.94 0.43 115.31 118.54 1uph h LEU 41 Ca -0.00 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.10 1uph h LEU 41 Cb 0.05 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1uph h LEU 41 CO 0.00 -0.12 0.39 -0.08 -1.08 0.00 0.00 178.44 177.56 1uph h GLU 42 N -0.14 0.32 0.00 1.13 4.81 -1.02 0.37 114.58 120.06 1uph h GLU 42 Ca 0.03 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1uph h GLU 42 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1uph h GLU 42 CO -0.07 0.21 -0.38 0.00 -0.73 0.00 0.00 179.01 178.04 1uph h ARG 43 N 0.33 0.00 -0.31 1.92 3.08 0.52 -3.08 114.38 116.85 1uph h ARG 43 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1uph h ARG 43 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1uph h ARG 43 CO -0.07 0.38 0.00 1.19 -1.07 0.00 0.00 179.97 180.40 1uph n PHE 44 N -3.20 0.29 -1.12 3.04 3.01 0.14 -4.82 117.46 114.80 1uph n PHE 44 Ca 0.02 -0.13 -0.04 0.00 1.01 0.00 0.00 57.45 58.31 1uph n PHE 44 Cb 0.68 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 40.10 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uph n ALA 45 N 0.06 -0.06 -2.90 4.37 0.00 -1.00 -5.00 120.51 115.98 1uph n ALA 45 Ca 0.06 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1uph n ALA 45 Cb 0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1uph n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uph s VAL 46 N -1.95 5.29 0.21 0.00 1.01 0.36 -5.00 120.40 120.32 1uph s VAL 46 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1uph s VAL 46 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1uph s VAL 46 CO 0.00 0.13 1.07 0.20 0.00 0.00 0.00 175.10 176.50 1uph s ASN 47 N -2.51 7.34 0.04 3.32 0.01 -1.26 -3.04 114.94 118.83 1uph s ASN 47 Ca 0.34 2.11 -0.17 0.00 -0.71 0.00 0.00 52.86 54.43 1uph s ASN 47 Cb -0.13 -2.61 -0.21 0.00 0.41 0.00 0.00 41.25 38.71 1uph s ASN 47 CO 0.27 -0.13 1.17 1.55 -1.51 0.00 0.00 177.10 178.46 1uph h PRO 48 N 4.59 0.54 0.00 -0.60 0.13 -1.90 -3.17 132.00 131.58 1uph h PRO 48 Ca -0.45 -0.52 -0.03 0.00 -0.87 0.00 0.00 66.00 64.13 1uph h PRO 48 Cb 1.21 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1uph h PRO 48 CO 0.70 1.15 -0.16 0.78 -0.23 0.00 0.00 178.00 180.23 1uph h GLY 49 N 0.12 0.00 2.00 1.56 0.00 -1.93 -1.03 103.07 103.80 1uph h GLY 49 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1uph h GLY 49 CO 0.14 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.68 1uph h LEU 50 N 0.00 0.00 -1.11 3.11 7.12 -1.91 0.24 115.31 122.75 1uph h LEU 50 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1uph h LEU 50 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1uph h LEU 50 CO 0.02 0.00 -0.06 -0.11 -0.13 0.00 0.00 178.44 178.16 1uph n LEU 51 N -2.37 1.78 0.00 2.25 7.94 -0.39 -3.76 117.00 122.45 1uph n LEU 51 Ca 0.00 -0.59 0.13 0.00 -1.11 0.00 0.00 56.01 54.44 1uph n LEU 51 Cb 0.15 -0.02 0.67 0.00 0.53 0.00 0.00 43.42 44.75 1uph n LEU 51 CO 0.17 0.30 0.93 -1.84 -1.11 0.00 0.00 177.39 175.84 1uph n GLU 52 N 0.31 0.43 -4.99 1.96 0.28 0.83 -4.56 120.64 114.90 1uph n GLU 52 Ca 0.17 0.04 -0.32 0.00 -0.16 0.00 0.00 57.16 56.88 1uph n GLU 52 Cb 0.41 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.64 1uph n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1uph s THR 53 N -2.49 2.81 0.48 3.84 -4.23 -1.25 -4.78 115.64 110.03 1uph s THR 53 Ca 0.27 -0.81 0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1uph s THR 53 Cb 0.17 -2.08 0.33 0.00 1.34 0.00 0.00 72.50 72.26 1uph s THR 53 CO 0.38 0.58 2.03 0.77 -0.54 0.00 0.00 174.62 177.84 1uph h SER 54 N 5.51 0.17 -0.08 3.99 4.64 -1.88 0.64 113.55 126.54 1uph h SER 54 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1uph h SER 54 Cb 1.15 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1uph h SER 54 CO 0.50 0.11 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.20 1uph h GLU 55 N 0.20 0.16 -0.43 4.77 4.39 -1.94 -0.96 114.58 120.77 1uph h GLU 55 Ca 0.20 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1uph h GLU 55 Cb 0.52 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1uph h GLU 55 CO -0.03 0.54 0.10 0.78 -1.16 0.00 0.00 179.01 179.23 1uph h GLY 56 N -0.22 0.69 0.88 -3.84 0.00 -1.41 -0.28 103.07 98.91 1uph h GLY 56 Ca 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1uph h GLY 56 CO 0.01 0.35 -0.02 0.00 0.00 0.00 0.00 176.54 176.89 1uph h ARG 58 N 0.32 1.01 -0.14 0.00 1.12 -0.64 0.19 114.38 116.23 1uph h ARG 58 Ca 0.08 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1uph h ARG 58 Cb 0.46 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1uph h ARG 58 CO 0.02 0.70 0.09 1.96 -3.11 0.00 0.00 179.97 179.62 1uph h GLN 59 N 1.02 0.18 -0.54 0.20 4.20 -0.85 -0.65 115.11 118.68 1uph h GLN 59 Ca 0.27 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1uph h GLN 59 Cb -0.07 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1uph h GLN 59 CO -0.05 0.13 0.33 0.82 -0.67 0.00 0.00 178.83 179.39 1uph h ILE 60 N 0.18 1.07 -0.66 2.54 2.04 -0.84 0.35 117.51 122.20 1uph h ILE 60 Ca 0.05 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1uph h ILE 60 Cb -0.01 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 1uph h ILE 60 CO -0.01 0.12 0.31 -0.07 0.00 0.00 0.00 178.15 178.50 1uph h LEU 61 N 0.66 0.39 -0.93 1.44 3.38 -0.52 0.19 115.31 119.92 1uph h LEU 61 Ca 0.22 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1uph h LEU 61 Cb 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uph h LEU 61 CO -0.09 0.23 -0.18 1.23 0.09 0.00 0.00 178.44 179.73 1uph h GLY 62 N 0.55 0.00 1.05 0.83 0.00 -0.18 0.52 103.07 105.84 1uph h GLY 62 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 1uph h GLY 62 CO -0.26 0.00 -0.30 -1.61 0.00 0.00 0.00 176.54 174.37 1uph h GLN 63 N 0.00 0.85 0.00 4.80 4.15 0.26 -3.07 115.11 122.09 1uph h GLN 63 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1uph h GLN 63 Cb 0.80 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1uph h GLN 63 CO 0.02 1.06 -0.95 1.47 -1.93 0.00 0.00 178.83 178.51 1uph n LEU 64 N -4.17 0.72 -0.33 -2.39 -0.00 -0.36 -4.37 117.00 106.09 1uph n LEU 64 Ca -0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 56.01 55.73 1uph n LEU 64 Cb 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1uph n LEU 64 CO 0.46 0.15 0.47 0.00 -0.00 0.00 0.00 177.39 178.47 1uph n GLN 65 N -1.67 -0.25 0.07 1.47 1.13 0.18 0.90 117.38 119.21 1uph n GLN 65 Ca 0.03 1.30 -0.10 0.00 -1.94 0.00 0.00 57.00 56.29 1uph n GLN 65 Cb 0.37 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.81 1uph n GLN 65 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1uph h PRO 66 N 0.00 0.30 0.00 -1.09 0.13 -1.77 -2.98 132.00 126.59 1uph h PRO 66 Ca 0.25 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1uph h PRO 66 Cb 0.46 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1uph h PRO 66 CO -0.83 0.98 0.14 1.03 -0.23 0.00 0.00 178.00 179.09 1uph h SER 67 N 0.18 0.00 -0.17 1.44 0.87 0.31 0.23 113.55 116.41 1uph h SER 67 Ca -0.05 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.30 1uph h SER 67 Cb 1.45 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1uph h SER 67 CO 0.14 0.00 -0.71 -0.07 -0.53 0.00 0.00 176.83 175.66 1uph h LEU 68 N 0.00 0.92 -0.91 2.23 3.38 -0.54 1.30 115.31 121.70 1uph h LEU 68 Ca 0.00 -0.61 0.33 0.00 0.09 0.00 0.00 57.88 57.69 1uph h LEU 68 Cb 0.27 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 40.59 1uph h LEU 68 CO 0.00 1.38 0.31 0.00 0.09 0.00 0.00 178.44 180.22 1uph n GLN 69 N -3.99 -0.06 -2.05 1.13 1.13 0.81 -1.45 117.38 112.91 1uph n GLN 69 Ca -0.07 1.29 0.02 0.00 -1.94 0.00 0.00 57.00 56.30 1uph n GLN 69 Cb 0.71 -2.22 0.03 0.00 0.11 0.00 0.00 30.24 28.88 1uph n GLN 69 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1uph n THR 70 N -5.16 0.50 -1.77 5.09 -2.24 -1.20 -5.11 114.28 104.39 1uph n THR 70 Ca 0.29 -1.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.07 1uph n THR 70 Cb 0.99 1.10 0.14 0.00 -2.10 0.00 0.00 70.33 70.46 1uph n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uph s GLY 71 N -2.63 1.64 0.65 3.38 0.00 0.45 -5.06 107.32 105.74 1uph s GLY 71 Ca 0.29 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 1uph s GLY 71 CO -0.11 -0.19 0.92 -1.35 0.00 0.00 0.00 173.10 172.37 1uph s SER 72 N -4.50 4.96 0.21 1.64 1.04 -1.26 -4.86 113.70 110.92 1uph s SER 72 Ca 0.66 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 1uph s SER 72 Cb -0.10 -0.95 0.15 0.00 0.10 0.00 0.00 66.02 65.22 1uph s SER 72 CO 0.52 -1.44 1.88 -0.08 0.98 0.00 0.00 173.24 175.09 1uph h GLU 73 N -0.34 0.97 -0.26 4.02 4.22 -1.99 0.26 114.58 121.47 1uph h GLU 73 Ca -0.43 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 1uph h GLU 73 Cb 1.31 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1uph h GLU 73 CO 0.56 0.65 -0.11 0.93 -2.18 0.00 0.00 179.01 178.85 1uph h GLU 74 N 1.00 0.54 -0.80 1.92 5.08 -1.99 -1.46 114.58 118.87 1uph h GLU 74 Ca 0.27 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1uph h GLU 74 Cb -0.11 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1uph h GLU 74 CO -0.06 0.78 0.52 1.25 -1.00 0.00 0.00 179.01 180.51 1uph h LEU 75 N 0.27 0.89 0.09 1.33 6.46 -1.84 -0.95 115.31 121.57 1uph h LEU 75 Ca 0.06 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1uph h LEU 75 Cb 0.61 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1uph h LEU 75 CO 0.04 0.64 -0.05 0.03 -0.62 0.00 0.00 178.44 178.48 1uph h ARG 76 N 1.05 -0.12 -0.71 1.25 3.08 -0.35 -0.82 114.38 117.76 1uph h ARG 76 Ca 0.30 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.49 1uph h ARG 76 Cb -0.08 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1uph h ARG 76 CO -0.08 -0.04 0.47 0.77 -1.07 0.00 0.00 179.97 180.03 1uph h SER 77 N -0.17 0.41 -0.15 7.04 0.02 -0.84 -0.09 113.55 119.77 1uph h SER 77 Ca -0.01 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1uph h SER 77 Cb 0.14 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1uph h SER 77 CO 0.02 0.23 -0.02 0.25 -1.14 0.00 0.00 176.83 176.17 1uph h LEU 78 N 0.45 0.28 -0.92 5.07 5.85 -0.48 -1.08 115.31 124.48 1uph h LEU 78 Ca 0.34 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1uph h LEU 78 Cb 0.71 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1uph h LEU 78 CO -0.11 0.55 0.58 0.22 -0.34 0.00 0.00 178.44 179.34 1uph h TYR 79 N -0.01 1.06 -0.35 1.25 3.20 0.34 0.24 116.97 122.72 1uph h TYR 79 Ca 0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1uph h TYR 79 Cb 0.42 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1uph h TYR 79 CO 0.04 0.52 0.05 -0.91 -1.64 0.00 0.00 178.16 176.23 1uph h ASN 80 N 1.03 0.56 -0.73 -2.11 4.21 -1.02 -0.83 115.58 116.68 1uph h ASN 80 Ca 0.41 -0.26 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 1uph h ASN 80 Cb 0.22 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.24 1uph h ASN 80 CO -0.19 0.68 0.44 0.74 -1.29 0.00 0.00 177.43 177.81 1uph h THR 81 N 0.41 1.21 -0.55 2.81 2.02 -0.22 -1.06 112.91 117.52 1uph h THR 81 Ca 0.10 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1uph h THR 81 Cb 0.36 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1uph h THR 81 CO 0.01 0.22 0.32 0.40 0.37 0.00 0.00 175.52 176.83 1uph h ILE 82 N 1.00 1.18 -0.29 3.11 1.08 -0.32 0.25 117.51 123.52 1uph h ILE 82 Ca 0.26 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 1uph h ILE 82 Cb -0.04 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1uph h ILE 82 CO -0.05 0.19 0.07 0.00 -0.69 0.00 0.00 178.15 177.67 1uph h ALA 83 N 1.15 0.31 -0.67 1.87 0.00 -0.56 0.24 119.26 121.59 1uph h ALA 83 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1uph h ALA 83 Cb 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1uph h ALA 83 CO -0.03 -0.34 0.27 0.28 0.00 0.00 0.00 179.25 179.43 1uph h VAL 84 N 0.18 1.23 -0.00 0.00 2.07 -0.75 -0.11 116.25 118.87 1uph h VAL 84 Ca 0.13 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1uph h VAL 84 Cb 0.13 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1uph h VAL 84 CO -0.16 0.29 0.00 0.25 0.02 0.00 0.00 177.57 177.97 1uph h LEU 85 N 0.97 0.00 -1.34 2.57 5.85 0.77 -0.64 115.31 123.49 1uph h LEU 85 Ca 0.23 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1uph h LEU 85 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1uph h LEU 85 CO -0.02 0.00 0.17 0.22 -0.34 0.00 0.00 178.44 178.47 1uph h TYR 86 N 0.00 0.62 -0.45 1.25 3.20 -0.17 0.02 116.97 121.43 1uph h TYR 86 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1uph h TYR 86 Cb 0.00 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1uph h TYR 86 CO -0.08 0.49 0.24 0.00 -1.64 0.00 0.00 178.16 177.16 1uph h VAL 88 N 0.59 1.24 0.00 0.00 2.07 -0.39 0.45 116.25 120.21 1uph h VAL 88 Ca 0.16 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 1uph h VAL 88 Cb 0.07 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1uph h VAL 88 CO -0.02 0.36 -0.38 0.45 0.02 0.00 0.00 177.57 177.99 1uph h HIS 89 N 0.55 0.00 0.00 1.57 -0.00 -0.17 -2.19 115.15 114.91 1uph h HIS 89 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1uph h HIS 89 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 1uph h HIS 89 CO 0.02 0.38 -0.82 1.04 -0.00 0.00 0.00 177.93 178.56 1uph n GLN 90 N -4.07 0.37 -2.86 2.45 1.13 0.66 -4.85 117.38 110.22 1uph n GLN 90 Ca -0.02 0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1uph n GLN 90 Cb 0.42 -1.70 0.06 0.00 0.11 0.00 0.00 30.24 29.12 1uph n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1uph n ARG 91 N -2.23 -3.73 -4.45 -1.09 0.63 0.15 -5.02 116.66 100.92 1uph n ARG 91 Ca 0.02 0.55 -0.34 0.00 -0.92 0.00 0.00 57.85 57.16 1uph n ARG 91 Cb 0.47 -4.58 -0.12 0.00 0.45 0.00 0.00 32.46 28.67 1uph n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1uph s ILE 92 N -3.23 3.85 0.28 5.15 1.01 -0.62 -5.03 121.20 122.60 1uph s ILE 92 Ca 0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1uph s ILE 92 Cb -0.01 -2.66 -0.14 0.00 0.01 0.00 0.00 42.46 39.66 1uph s ILE 92 CO 0.47 0.52 1.14 0.47 0.00 0.00 0.00 174.94 177.54 1uph n ASP 93 N 3.25 1.83 -3.91 3.58 9.92 -1.26 -4.73 116.55 125.23 1uph n ASP 93 Ca -0.18 1.18 -0.10 0.00 -0.53 0.00 0.00 54.79 55.16 1uph n ASP 93 Cb 0.53 -1.35 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 1uph n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1uph s VAL 94 N -0.85 0.00 0.00 2.53 -7.23 -1.26 -4.94 120.40 108.64 1uph s VAL 94 Ca 0.60 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1uph s VAL 94 Cb -0.68 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1uph s VAL 94 CO 0.58 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.66 1uph n LYS 95 N -0.39 0.00 -4.37 4.82 5.02 -1.26 -4.94 118.16 117.04 1uph n LYS 95 Ca -0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1uph n LYS 95 Cb 0.62 -0.22 -0.09 0.00 -0.02 0.00 0.00 35.03 35.33 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1uph s ASP 96 N -4.45 1.73 0.12 4.39 -4.77 -1.26 -0.93 116.67 111.50 1uph s ASP 96 Ca 0.00 -1.53 -0.16 0.00 -3.30 0.00 0.00 52.55 47.57 1uph s ASP 96 Cb 0.00 0.32 -0.03 0.00 -1.09 0.00 0.00 42.92 42.12 1uph s ASP 96 CO 0.00 -0.84 1.57 0.00 0.70 0.00 0.00 175.17 176.60 1uph h THR 97 N 2.17 1.25 -0.46 2.11 1.03 -1.18 -0.88 112.91 116.96 1uph h THR 97 Ca -0.35 -0.94 -0.01 0.00 -0.01 0.00 0.00 66.41 65.10 1uph h THR 97 Cb 1.25 1.14 -0.02 0.00 -1.07 0.00 0.00 68.15 69.44 1uph h THR 97 CO 0.56 0.31 0.27 0.50 -0.01 0.00 0.00 175.52 177.15 1uph h LYS 98 N 0.47 0.64 -0.54 0.00 1.63 -1.85 -0.96 116.57 115.95 1uph h LYS 98 Ca 0.11 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1uph h LYS 98 Cb 0.43 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1uph h LYS 98 CO 0.01 0.49 0.34 0.93 -3.45 0.00 0.00 179.45 177.77 1uph h GLU 99 N 0.61 0.65 -0.41 1.90 4.39 -1.91 -0.21 114.58 119.61 1uph h GLU 99 Ca 0.16 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.86 1uph h GLU 99 Cb 0.02 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 1uph h GLU 99 CO -0.03 0.43 0.19 0.00 -1.16 0.00 0.00 179.01 178.45 1uph h ALA 100 N 1.23 0.51 -0.81 3.43 0.00 -0.70 0.22 119.26 123.14 1uph h ALA 100 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1uph h ALA 100 Cb -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1uph h ALA 100 CO -0.08 -0.17 0.51 -0.07 0.00 0.00 0.00 179.25 179.43 1uph h LEU 101 N 0.40 0.82 -1.34 0.00 3.38 -0.54 0.20 115.31 118.22 1uph h LEU 101 Ca 0.18 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1uph h LEU 101 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1uph h LEU 101 CO -0.14 0.55 -0.18 0.44 0.09 0.00 0.00 178.44 179.20 1uph h ASP 102 N 0.96 0.21 0.37 -0.43 5.19 0.11 0.18 116.42 123.01 1uph h ASP 102 Ca 0.34 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.55 1uph h ASP 102 Cb 0.08 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1uph h ASP 102 CO -0.14 0.41 -0.62 0.50 -3.12 0.00 0.00 179.24 176.28 1uph h LYS 103 N 0.21 0.24 -0.04 3.56 1.63 0.16 0.31 116.57 122.64 1uph h LYS 103 Ca 0.04 -0.17 -0.23 0.00 -0.85 0.00 0.00 60.65 59.44 1uph h LYS 103 Cb 0.45 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1uph h LYS 103 CO 0.03 0.78 -0.92 0.82 -3.45 0.00 0.00 179.45 176.71 1uph h ILE 104 N 0.18 1.33 -0.17 2.00 2.04 0.25 -0.11 117.51 123.04 1uph h ILE 104 Ca -0.01 -2.25 -0.21 0.00 1.00 0.00 0.00 64.86 63.40 1uph h ILE 104 Cb 1.12 2.28 0.01 0.00 -0.74 0.00 0.00 36.82 39.49 1uph h ILE 104 CO 0.10 0.69 -0.70 -0.08 0.00 0.00 0.00 178.15 178.16 1uph h GLU 105 N 0.35 0.77 -0.29 2.37 4.81 -0.56 -0.68 114.58 121.35 1uph h GLU 105 Ca -0.08 -0.60 -0.14 0.00 -0.13 0.00 0.00 59.36 58.41 1uph h GLU 105 Cb 1.55 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1uph h GLU 105 CO 0.17 1.22 -0.38 1.05 -0.73 0.00 0.00 179.01 180.34 1uph h GLU 106 N 0.49 0.67 -0.08 1.92 -0.00 -0.41 -0.08 114.58 117.09 1uph h GLU 106 Ca -0.04 -0.33 -0.03 0.00 -0.00 0.00 0.00 59.36 58.96 1uph h GLU 106 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.08 1uph h GLU 106 CO 0.15 0.94 -0.06 1.49 -0.00 0.00 0.00 179.01 181.52 1uph h GLU 107 N 0.56 0.19 -0.31 1.06 4.81 -0.99 -1.13 114.58 118.75 1uph h GLU 107 Ca 0.05 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1uph h GLU 107 Cb 0.90 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1uph h GLU 107 CO 0.08 0.59 0.17 0.37 -0.73 0.00 0.00 179.01 179.49 1uph h GLN 108 N -0.21 0.44 0.00 1.92 5.75 -1.09 0.31 115.11 122.23 1uph h GLN 108 Ca 0.02 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1uph h GLN 108 Cb 0.54 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1uph h GLN 108 CO 0.02 0.37 -0.13 -0.91 -2.65 0.00 0.00 178.83 175.52 1uph h ASN 109 N 0.39 -0.39 -0.91 -0.69 4.21 -1.01 0.78 115.58 117.96 1uph h ASN 109 Ca 0.11 0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.71 1uph h ASN 109 Cb 0.06 0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.37 1uph h ASN 109 CO -0.02 -0.19 0.59 0.50 -1.29 0.00 0.00 177.43 177.03 1uph h LYS 110 N -0.23 1.13 0.21 0.81 1.63 -0.96 -1.31 116.57 117.85 1uph h LYS 110 Ca 0.05 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1uph h LYS 110 Cb 0.28 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1uph h LYS 110 CO -0.13 0.75 -0.32 1.03 -3.45 0.00 0.00 179.45 177.33 1uph h SER 111 N 1.16 -0.88 -0.25 4.20 0.87 0.60 0.18 113.55 119.42 1uph h SER 111 Ca 0.36 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 61.07 1uph h SER 111 Cb -0.02 0.32 -0.07 0.00 -0.44 0.00 0.00 62.40 62.19 1uph h SER 111 CO -0.11 -0.42 -0.20 0.11 -0.53 0.00 0.00 176.83 175.67 1uph h LYS 112 N -0.59 -0.19 -0.46 2.24 1.57 -0.46 0.86 116.57 119.53 1uph h LYS 112 Ca 0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1uph h LYS 112 Cb 0.58 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.85 1uph h LYS 112 CO -0.13 -0.13 -0.13 0.87 -0.57 0.00 0.00 179.45 179.36 1uph h LYS 113 N -0.20 -0.02 -0.08 3.15 1.57 -0.78 0.20 116.57 120.41 1uph h LYS 113 Ca 0.14 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1uph h LYS 113 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1uph h LYS 113 CO -0.37 -0.01 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.00 1uph h LYS 114 N -0.02 -0.36 -0.40 3.15 3.64 0.77 -0.05 116.57 123.30 1uph h LYS 114 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1uph h LYS 114 Cb 0.36 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 1uph h LYS 114 CO -0.49 -0.24 -0.17 0.00 -2.27 0.00 0.00 179.45 176.28 1uph h ALA 115 N 0.48 0.15 -0.91 5.00 0.00 0.53 0.21 119.26 124.72 1uph h ALA 115 Ca 0.08 0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.32 1uph h ALA 115 Cb 0.50 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1uph h ALA 115 CO -0.29 -0.53 0.49 0.37 0.00 0.00 0.00 179.25 179.29 1uph h GLN 116 N -0.09 0.61 0.38 0.00 4.15 0.37 0.39 115.11 120.91 1uph h GLN 116 Ca 0.20 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1uph h GLN 116 Cb 0.39 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1uph h GLN 116 CO -0.46 0.40 -0.18 1.96 -1.93 0.00 0.00 178.83 178.62 1uph h GLN 117 N 0.63 -0.49 -0.38 1.69 4.20 0.11 0.25 115.11 121.12 1uph h GLN 117 Ca 0.52 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.38 1uph h GLN 117 Cb 0.82 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1uph h GLN 117 CO -0.40 -0.33 0.60 0.00 -0.67 0.00 0.00 178.83 178.03 1uph h ALA 118 N -1.66 2.06 0.18 3.87 0.00 -0.53 1.56 119.26 124.74 1uph h ALA 118 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1uph h ALA 118 Cb 0.39 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1uph h ALA 118 CO 0.09 -0.80 -1.38 0.00 0.00 0.00 0.00 179.25 177.16 1uph h ALA 119 N 1.15 0.02 0.00 0.00 0.00 0.13 0.38 119.26 120.94 1uph h ALA 119 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1uph h ALA 119 Cb 1.38 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1uph h ALA 119 CO -0.00 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.14 1uph h ALA 120 N 0.40 1.00 0.00 0.00 0.00 0.55 -3.35 119.26 117.86 1uph h ALA 120 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1uph h ALA 120 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1uph h ALA 120 CO 0.23 0.00 -0.31 -3.47 0.00 0.00 0.00 179.25 175.70 1uph n ASP 121 N -2.41 0.67 -4.18 0.00 -0.08 0.13 -4.97 116.55 105.71 1uph n ASP 121 Ca 0.04 0.18 -0.32 0.00 -1.51 0.00 0.00 54.79 53.18 1uph n ASP 121 Cb 0.39 -0.60 -0.07 0.00 2.34 0.00 0.00 41.12 43.18 1uph n ASP 121 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1uph n THR 122 N -3.16 -1.21 0.00 5.18 5.66 0.13 -4.87 114.28 116.00 1uph n THR 122 Ca -0.04 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1uph n THR 122 Cb 0.16 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 1uph n THR 122 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uph n GLY 123 N -2.41 2.73 3.68 1.09 0.00 -1.26 -5.11 105.19 103.92 1uph n GLY 123 Ca -0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1uph n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uph s ASN 124 N 1.00 -0.21 0.37 1.61 0.01 -1.26 -5.18 114.94 111.28 1uph s ASN 124 Ca 0.00 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 51.95 1uph s ASN 124 Cb 0.00 0.43 -0.06 0.00 0.41 0.00 0.00 41.25 42.03 1uph s ASN 124 CO 0.00 -0.78 0.02 0.54 -1.51 0.00 0.00 177.10 175.37 1uph s ASN 125 N -2.83 4.05 0.25 -1.22 2.20 -1.26 -5.16 114.94 110.97 1uph s ASN 125 Ca 0.11 -1.15 0.01 0.00 -0.94 0.00 0.00 52.86 50.89 1uph s ASN 125 Cb -0.01 -0.45 -0.05 0.00 -2.00 0.00 0.00 41.25 38.75 1uph s ASN 125 CO -0.01 -0.34 0.11 -0.55 -2.94 0.00 0.00 177.10 173.37 1uph s SER 126 N -3.73 0.93 -0.27 3.54 0.15 -1.26 -5.16 113.70 107.91 1uph s SER 126 Ca 0.36 -1.40 -0.10 0.00 0.70 0.00 0.00 55.95 55.50 1uph s SER 126 Cb 0.04 0.24 0.11 0.00 -1.71 0.00 0.00 66.02 64.70 1uph s SER 126 CO 0.19 -0.77 0.59 -1.58 1.20 0.00 0.00 173.24 172.87 1uph s GLN 127 N -4.05 0.54 -0.26 5.44 0.74 -1.26 -5.13 119.66 115.67 1uph s GLN 127 Ca 0.38 1.28 -0.03 0.00 0.05 0.00 0.00 55.36 57.04 1uph s GLN 127 Cb 0.07 0.56 0.02 0.00 1.10 0.00 0.00 33.01 34.76 1uph s GLN 127 CO 0.14 -0.20 -0.02 0.08 -0.55 0.00 0.00 175.29 174.74 1uph s VAL 128 N 2.49 3.22 0.53 1.34 1.01 -1.26 -5.10 120.40 122.62 1uph s VAL 128 Ca -0.06 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1uph s VAL 128 Cb -0.10 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1uph s VAL 128 CO -0.17 0.16 0.74 -0.55 0.00 0.00 0.00 175.10 175.27 1uph s SER 129 N 1.38 5.32 0.25 3.32 0.15 -1.26 -5.13 113.70 117.74 1uph s SER 129 Ca 0.01 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.45 1uph s SER 129 Cb -0.17 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 1uph s SER 129 CO -0.02 -1.09 0.38 -1.58 1.20 0.00 0.00 173.24 172.13 1uph s GLN 130 N -4.68 1.51 0.50 5.44 -0.44 -1.26 -5.12 119.66 115.60 1uph s GLN 130 Ca 0.57 -1.44 0.00 0.00 -2.50 0.00 0.00 55.36 51.99 1uph s GLN 130 Cb -0.10 0.41 0.00 0.00 -1.64 0.00 0.00 33.01 31.68 1uph s GLN 130 CO 0.37 -0.60 0.00 -1.71 0.50 0.00 0.00 175.29 173.86 1uph n ASN 131 N -0.52 -7.26 0.00 6.67 2.85 -1.26 -5.37 115.26 110.38 1uph n ASN 131 Ca -0.00 1.52 0.12 0.00 -0.11 0.00 0.00 54.58 56.11 1uph n ASN 131 Cb 0.63 -4.15 0.73 0.00 1.24 0.00 0.00 39.78 38.23 1uph n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15