#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 1.32 -1.69 4.61 0.00 -1.26 -5.02 120.51 118.46 1uph n ALA 3 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1uph n ALA 3 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1uph n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uph n ARG 4 N -2.41 1.40 -3.03 0.00 1.74 -1.26 -5.00 116.66 108.10 1uph n ARG 4 Ca 0.00 0.52 -0.23 0.00 -0.77 0.00 0.00 57.85 57.37 1uph n ARG 4 Cb 0.00 -2.39 0.01 0.00 -1.02 0.00 0.00 32.46 29.06 1uph n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uph s ALA 5 N -1.35 3.79 -0.46 7.54 0.00 -1.26 -5.06 121.76 124.96 1uph s ALA 5 Ca 0.72 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.67 1uph s ALA 5 Cb -0.43 -2.10 0.29 0.00 0.00 0.00 0.00 23.12 20.87 1uph s ALA 5 CO 0.49 -0.34 0.93 0.43 0.00 0.00 0.00 175.76 177.27 1uph n SER 6 N -2.04 -2.01 0.00 0.00 7.64 -1.26 -5.02 113.62 110.94 1uph n SER 6 Ca 0.01 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1uph n SER 6 Cb 0.58 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 65.17 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 0.96 0.00 -4.37 0.44 0.31 -1.26 -4.22 118.33 110.18 1uph n VAL 7 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 1uph n VAL 7 Cb 0.65 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.46 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 -1.76 2.49 0.00 7.52 1.43 -1.26 -4.65 118.68 122.46 1uph s LEU 8 Ca 0.00 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1uph s LEU 8 Cb 0.00 -1.33 0.15 0.00 0.03 0.00 0.00 46.19 45.04 1uph s LEU 8 CO 0.00 0.16 0.55 -0.24 0.23 0.00 0.00 176.35 177.05 1uph n SER 9 N 0.68 -1.39 0.37 2.29 2.88 -1.26 -4.56 113.62 112.63 1uph n SER 9 Ca -0.16 -0.86 -0.18 0.00 -1.33 0.00 0.00 58.87 56.34 1uph n SER 9 Cb 0.54 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.52 -1.08 0.95 0.46 0.00 -2.00 0.49 103.07 100.36 1uph h GLY 10 Ca -0.20 0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1uph h GLY 10 CO 0.13 -0.38 0.18 -1.33 0.00 0.00 0.00 176.54 175.14 1uph h GLY 11 N -1.00 0.68 1.94 4.60 0.00 -1.99 -0.82 103.07 106.47 1uph h GLY 11 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1uph h GLY 11 CO 0.09 0.34 -0.01 0.83 0.00 0.00 0.00 176.54 177.79 1uph h GLU 12 N 0.54 0.08 -0.10 4.80 3.07 -1.88 0.19 114.58 121.28 1uph h GLU 12 Ca 0.14 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.89 1uph h GLU 12 Cb 0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1uph h GLU 12 CO -0.01 0.10 -0.35 -0.07 -1.40 0.00 0.00 179.01 177.28 1uph h LEU 13 N 0.08 0.48 -0.40 1.33 3.38 0.62 0.43 115.31 121.23 1uph h LEU 13 Ca 0.02 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1uph h LEU 13 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1uph h LEU 13 CO 0.00 1.01 0.20 -0.78 0.09 0.00 0.00 178.44 178.96 1uph h ASP 14 N -0.03 0.52 0.55 -0.43 3.58 -0.37 0.53 116.42 120.77 1uph h ASP 14 Ca -0.02 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.20 1uph h ASP 14 Cb 0.98 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1uph h ASP 14 CO 0.07 0.49 -0.53 0.11 -2.88 0.00 0.00 179.24 176.50 1uph h LYS 15 N 0.51 0.00 -0.48 0.28 1.57 -0.68 -2.58 116.57 115.19 1uph h LYS 15 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1uph h LYS 15 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1uph h LYS 15 CO -0.02 0.53 -0.02 2.35 -0.57 0.00 0.00 179.45 181.73 1uph h TRP 16 N 0.00 0.86 -0.44 -1.35 2.91 0.64 -2.01 115.95 116.56 1uph h TRP 16 Ca -0.01 -0.13 -0.26 0.00 1.13 0.00 0.00 58.89 59.63 1uph h TRP 16 Cb 0.95 -0.23 -0.13 0.00 -0.51 0.00 0.00 29.16 29.24 1uph h TRP 16 CO 0.00 0.80 0.33 -0.85 -1.03 0.00 0.00 178.44 177.69 1uph n GLU 17 N -4.21 1.63 0.00 2.65 0.28 0.11 -3.41 120.64 117.69 1uph n GLU 17 Ca 0.02 -1.37 0.02 0.00 -0.16 0.00 0.00 57.16 55.67 1uph n GLU 17 Cb 0.31 -1.54 -0.01 0.00 1.43 0.00 0.00 31.44 31.63 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1uph n LYS 18 N 0.08 4.88 -3.16 3.44 4.81 -0.75 -4.54 118.16 122.91 1uph n LYS 18 Ca 0.27 -0.12 -0.39 0.00 -0.87 0.00 0.00 58.31 57.20 1uph n LYS 18 Cb 0.82 -0.72 -0.06 0.00 0.02 0.00 0.00 35.03 35.09 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 -1.13 4.67 0.23 3.15 1.09 -1.22 -4.64 121.20 123.35 1uph s ILE 19 Ca 0.02 1.39 -0.06 0.00 -1.10 0.00 0.00 60.65 60.90 1uph s ILE 19 Cb 0.03 -3.99 -0.06 0.00 -1.06 0.00 0.00 42.46 37.38 1uph s ILE 19 CO 0.12 0.51 0.50 -0.13 -0.10 0.00 0.00 174.94 175.83 1uph s ARG 20 N -0.87 3.66 0.01 2.79 0.52 0.14 -0.81 118.95 124.38 1uph s ARG 20 Ca 0.32 0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1uph s ARG 20 Cb -0.20 -2.71 -0.30 0.00 0.52 0.00 0.00 34.95 32.25 1uph s ARG 20 CO 0.21 0.32 0.89 -0.07 0.02 0.00 0.00 175.30 176.67 1uph h LEU 21 N 2.18 0.54 -8.48 2.53 3.38 -0.56 0.78 115.31 115.68 1uph h LEU 21 Ca -0.47 -0.68 -0.40 0.00 0.09 0.00 0.00 57.88 56.42 1uph h LEU 21 Cb 1.18 -0.18 -0.20 0.00 0.09 0.00 0.00 40.66 41.55 1uph h LEU 21 CO 0.69 1.56 -0.77 -0.13 0.09 0.00 0.00 178.44 179.88 1uph s ARG 22 N -2.61 0.89 0.14 1.13 0.52 -1.26 -4.50 118.95 113.25 1uph s ARG 22 Ca -0.10 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 53.99 1uph s ARG 22 Cb 0.06 -0.81 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 1uph s ARG 22 CO 0.88 0.16 1.33 -1.00 0.02 0.00 0.00 175.30 176.70 1uph h PRO 23 N 3.93 0.46 -0.02 3.54 0.13 -1.96 -3.23 132.00 134.85 1uph h PRO 23 Ca -0.40 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 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 0.45 1.09 -0.38 0.41 -0.23 0.00 0.00 178.00 179.35 1uph n GLY 24 N 0.82 0.11 0.34 1.56 0.00 -1.26 -4.97 105.19 101.80 1uph n GLY 24 Ca -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 1.32 0.24 2.67 -0.02 0.00 -1.22 -5.05 105.19 103.13 1uph n GLY 25 Ca 0.09 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1uph n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uph n LYS 26 N -1.18 1.42 -4.90 1.61 2.85 -1.26 -4.83 118.16 111.87 1uph n LYS 26 Ca 0.01 -3.39 -0.30 0.00 -1.05 0.00 0.00 58.31 53.58 1uph n LYS 26 Cb 0.05 -1.38 -0.14 0.00 -0.65 0.00 0.00 35.03 32.90 1uph n LYS 26 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1uph s LYS 27 N -3.28 1.87 0.18 -1.58 1.02 -1.26 -5.04 119.74 111.65 1uph s LYS 27 Ca 0.29 -1.07 0.02 0.00 0.02 0.00 0.00 55.97 55.22 1uph s LYS 27 Cb 0.43 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1uph s LYS 27 CO 0.01 0.52 0.00 1.14 -0.92 0.00 0.00 175.35 176.10 1uph s GLN 28 N -1.21 1.13 0.91 1.68 -2.07 -1.26 0.21 119.66 119.05 1uph s GLN 28 Ca 0.12 -1.54 -0.11 0.00 -1.82 0.00 0.00 55.36 52.00 1uph s GLN 28 Cb -0.10 -0.29 0.14 0.00 -1.09 0.00 0.00 33.01 31.67 1uph s GLN 28 CO 0.02 -0.13 1.09 0.71 -1.32 0.00 0.00 175.29 175.67 1uph s TYR 29 N -3.64 2.12 -0.01 9.60 1.51 0.01 -4.85 117.35 122.09 1uph s TYR 29 Ca 0.24 1.38 -0.30 0.00 -1.01 0.00 0.00 57.07 57.39 1uph s TYR 29 Cb 0.06 -3.17 0.11 0.00 -0.11 0.00 0.00 41.96 38.86 1uph s TYR 29 CO 0.04 -2.56 1.29 -1.59 -1.11 0.00 0.00 175.55 171.62 1uph s LYS 30 N -4.82 0.40 0.64 -0.62 -2.85 -1.26 -4.40 119.74 106.83 1uph s LYS 30 Ca 0.64 -0.24 0.33 0.00 -1.00 0.00 0.00 55.97 55.71 1uph s LYS 30 Cb -0.19 0.13 1.84 0.00 -2.06 0.00 0.00 37.83 37.54 1uph s LYS 30 CO 0.58 -0.19 2.10 1.25 0.10 0.00 0.00 175.35 179.19 1uph h LEU 31 N 2.00 0.00 -0.31 2.77 7.12 -1.96 0.15 115.31 125.08 1uph h LEU 31 Ca -0.28 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.69 1uph h LEU 31 Cb 1.20 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1uph h LEU 31 CO 0.30 0.00 0.03 0.50 -0.13 0.00 0.00 178.44 179.13 1uph h LYS 32 N 0.00 0.52 -0.17 1.25 3.11 -1.98 0.42 116.57 119.73 1uph h LYS 32 Ca 0.04 -0.15 -0.16 0.00 -2.81 0.00 0.00 60.65 57.57 1uph h LYS 32 Cb 0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1uph h LYS 32 CO -0.00 0.64 -0.55 0.45 -2.81 0.00 0.00 179.45 177.18 1uph h HIS 33 N 0.33 0.63 -0.18 1.91 3.86 -1.13 -0.88 115.15 119.69 1uph h HIS 33 Ca 0.09 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.97 1uph h HIS 33 Cb 0.39 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1uph h HIS 33 CO 0.03 0.94 -0.34 0.82 0.86 0.00 0.00 177.93 180.24 1uph h ILE 34 N 0.38 1.29 -0.18 2.45 2.04 -1.01 0.20 117.51 122.68 1uph h ILE 34 Ca 0.01 -1.41 -0.15 0.00 1.00 0.00 0.00 64.86 64.31 1uph h ILE 34 Cb 1.09 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1uph h ILE 34 CO 0.10 0.43 -0.46 0.58 0.00 0.00 0.00 178.15 178.80 1uph h VAL 35 N 0.32 1.33 -0.07 1.67 2.07 0.07 0.39 116.25 122.04 1uph h VAL 35 Ca 0.04 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1uph h VAL 35 Cb 0.76 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1uph h VAL 35 CO 0.06 0.53 0.02 -0.25 0.02 0.00 0.00 177.57 177.95 1uph h TRP 36 N 0.30 0.11 -0.57 1.57 7.01 -0.93 0.80 115.95 124.24 1uph h TRP 36 Ca -0.01 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1uph h TRP 36 Cb 1.08 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.08 1uph h TRP 36 CO 0.09 0.27 0.31 0.00 -2.79 0.00 0.00 178.44 176.32 1uph h ALA 37 N 0.83 0.73 -0.76 2.65 0.00 -0.60 -0.81 119.26 121.29 1uph h ALA 37 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1uph h ALA 37 Cb 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1uph h ALA 37 CO -0.00 0.26 0.45 1.03 0.00 0.00 0.00 179.25 180.99 1uph h SER 38 N 0.77 0.69 -0.55 0.00 0.87 0.07 -0.41 113.55 114.98 1uph h SER 38 Ca 0.20 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1uph h SER 38 Cb 0.06 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1uph h SER 38 CO -0.03 0.44 0.20 -0.09 -0.53 0.00 0.00 176.83 176.82 1uph h ARG 39 N 0.82 0.84 -0.28 2.24 2.43 -0.24 -1.33 114.38 118.86 1uph h ARG 39 Ca 0.34 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1uph h ARG 39 Cb 0.19 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1uph h ARG 39 CO -0.18 0.74 0.10 1.49 -1.51 0.00 0.00 179.97 180.61 1uph h GLU 40 N 0.76 0.21 -0.02 0.20 4.57 -0.16 0.62 114.58 120.76 1uph h GLU 40 Ca 0.18 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1uph h GLU 40 Cb 0.24 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1uph h GLU 40 CO -0.01 0.14 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.82 1uph h LEU 41 N 0.22 -0.22 -1.58 1.64 -0.00 -0.89 0.42 115.31 114.90 1uph h LEU 41 Ca 0.12 0.04 0.13 0.00 -0.00 0.00 0.00 57.88 58.17 1uph h LEU 41 Cb 0.09 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 1uph h LEU 41 CO -0.13 -0.11 0.47 -0.08 -0.00 0.00 0.00 178.44 178.60 1uph h GLU 42 N -0.12 0.43 0.00 1.13 4.81 -0.79 0.38 114.58 120.41 1uph h GLU 42 Ca 0.04 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1uph h GLU 42 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1uph h GLU 42 CO -0.09 0.28 -0.36 0.00 -0.73 0.00 0.00 179.01 178.11 1uph h ARG 43 N 0.44 0.00 -0.01 1.92 2.47 0.45 -3.00 114.38 116.65 1uph h ARG 43 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 1uph h ARG 43 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1uph h ARG 43 CO -0.11 0.36 -0.01 1.19 0.56 0.00 0.00 179.97 181.97 1uph n PHE 44 N -3.21 0.00 -2.83 3.04 3.72 0.13 -4.90 117.46 113.41 1uph n PHE 44 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1uph n PHE 44 Cb 0.66 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.23 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uph n ALA 45 N -0.43 -0.79 -2.50 4.37 0.00 -0.55 -5.04 120.51 115.56 1uph n ALA 45 Ca 0.21 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 1uph n ALA 45 Cb 0.24 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.48 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 -3.16 1.64 -0.06 0.00 1.01 -0.56 -5.03 120.40 114.24 1uph s VAL 46 Ca 0.13 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1uph s VAL 46 Cb -0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1uph s VAL 46 CO 0.34 0.15 1.18 0.21 0.00 0.00 0.00 175.10 176.98 1uph s ASN 47 N -1.29 7.07 0.11 3.32 2.47 -1.26 -4.02 114.94 121.34 1uph s ASN 47 Ca 0.07 1.79 -0.09 0.00 0.42 0.00 0.00 52.86 55.04 1uph s ASN 47 Cb -0.09 -2.56 -0.14 0.00 -1.45 0.00 0.00 41.25 37.02 1uph s ASN 47 CO 0.02 -0.57 1.28 1.55 -3.72 0.00 0.00 177.10 175.67 1uph h PRO 48 N 7.41 0.60 -0.88 0.43 0.13 -1.93 -3.11 132.00 134.63 1uph h PRO 48 Ca -0.34 -0.58 0.02 0.00 -0.87 0.00 0.00 66.00 64.23 1uph h PRO 48 Cb 1.16 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1uph h PRO 48 CO 0.88 1.20 0.58 0.78 -0.23 0.00 0.00 178.00 181.21 1uph h GLY 49 N 0.81 1.25 2.00 1.56 0.00 -1.91 0.11 103.07 106.88 1uph h GLY 49 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1uph h GLY 49 CO 0.17 0.42 0.00 0.17 0.00 0.00 0.00 176.54 177.30 1uph h LEU 50 N 1.15 0.00 -0.31 3.11 8.10 -1.91 -0.90 115.31 124.55 1uph h LEU 50 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.33 1uph h LEU 50 Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 1uph h LEU 50 CO -0.09 0.00 -0.01 -0.11 -4.11 0.00 0.00 178.44 174.12 1uph n LEU 51 N -3.05 0.49 0.00 0.17 7.94 0.37 -3.23 117.00 119.69 1uph n LEU 51 Ca 0.01 -0.14 0.13 0.00 -1.11 0.00 0.00 56.01 54.89 1uph n LEU 51 Cb 0.30 -0.03 0.66 0.00 0.53 0.00 0.00 43.42 44.88 1uph n LEU 51 CO 0.27 0.08 0.93 1.21 -1.11 0.00 0.00 177.39 178.77 1uph n GLU 52 N -0.65 0.43 -4.26 1.96 2.13 -0.34 -4.38 120.64 115.52 1uph n GLU 52 Ca 0.21 0.04 -0.29 0.00 0.66 0.00 0.00 57.16 57.78 1uph n GLU 52 Cb 0.20 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.31 1uph n GLU 52 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1uph s THR 53 N -2.49 3.17 0.36 6.31 -4.23 -1.20 -4.75 115.64 112.81 1uph s THR 53 Ca 0.26 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 1uph s THR 53 Cb 0.17 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.83 1uph s THR 53 CO 0.38 0.08 1.94 0.77 -0.54 0.00 0.00 174.62 177.25 1uph h SER 54 N 3.56 0.66 -0.06 3.99 4.64 -1.85 -0.63 113.55 123.86 1uph h SER 54 Ca -0.49 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1uph h SER 54 Cb 1.17 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1uph h SER 54 CO 0.50 0.42 0.02 -0.33 -0.87 0.00 0.00 176.83 176.57 1uph h GLU 55 N 0.75 0.10 -0.92 4.77 3.07 -1.95 -0.90 114.58 119.50 1uph h GLU 55 Ca 0.34 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1uph h GLU 55 Cb 0.34 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.18 1uph h GLU 55 CO -0.12 0.28 0.60 0.78 -1.40 0.00 0.00 179.01 179.15 1uph h GLY 56 N -0.10 1.33 0.93 -3.84 0.00 -1.42 0.16 103.07 100.14 1uph h GLY 56 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1uph h GLY 56 CO -0.00 0.37 0.13 0.00 0.00 0.00 0.00 176.54 177.03 1uph h ARG 58 N 0.47 0.93 -0.32 0.00 2.43 -0.12 -1.00 114.38 116.78 1uph h ARG 58 Ca 0.12 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1uph h ARG 58 Cb 0.25 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1uph h ARG 58 CO -0.00 0.68 0.14 0.37 -1.51 0.00 0.00 179.97 179.65 1uph h GLN 59 N 0.92 0.30 -0.53 0.20 4.15 -0.38 -0.52 115.11 119.25 1uph h GLN 59 Ca 0.24 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.66 1uph h GLN 59 Cb 0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1uph h GLN 59 CO -0.04 0.20 0.33 0.82 -1.93 0.00 0.00 178.83 178.20 1uph h ILE 60 N 0.31 1.07 -0.74 2.39 2.04 -0.84 0.36 117.51 122.10 1uph h ILE 60 Ca 0.14 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1uph h ILE 60 Cb 0.07 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1uph h ILE 60 CO -0.11 0.12 0.39 0.25 0.00 0.00 0.00 178.15 178.79 1uph h LEU 61 N 0.65 0.53 -0.81 1.44 5.85 -0.48 0.19 115.31 122.67 1uph h LEU 61 Ca 0.21 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1uph h LEU 61 Cb 0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uph h LEU 61 CO -0.09 0.31 -0.21 1.23 -0.34 0.00 0.00 178.44 179.34 1uph h GLY 62 N 0.66 0.00 1.04 3.75 0.00 -0.11 0.61 103.07 109.02 1uph h GLY 62 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 1uph h GLY 62 CO -0.25 0.00 -0.29 -1.61 0.00 0.00 0.00 176.54 174.39 1uph h GLN 63 N 0.00 0.83 0.00 4.80 4.15 0.27 -3.09 115.11 122.07 1uph h GLN 63 Ca -0.00 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1uph h GLN 63 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1uph h GLN 63 CO 0.03 1.05 -0.88 1.47 -1.93 0.00 0.00 178.83 178.57 1uph n LEU 64 N -4.18 0.88 -0.30 -2.39 -0.00 -0.36 -4.47 117.00 106.19 1uph n LEU 64 Ca -0.02 -0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 55.57 1uph n LEU 64 Cb 0.48 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.84 1uph n LEU 64 CO 0.46 0.22 0.41 0.00 -0.00 0.00 0.00 177.39 178.48 1uph n GLN 65 N -1.50 -0.23 0.09 1.47 6.02 0.21 0.16 117.38 123.60 1uph n GLN 65 Ca 0.04 1.14 -0.07 0.00 -0.01 0.00 0.00 57.00 58.10 1uph n GLN 65 Cb 0.33 -1.69 0.03 0.00 1.02 0.00 0.00 30.24 29.93 1uph n GLN 65 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1uph h PRO 66 N 0.00 0.19 -0.05 -1.09 0.13 -1.78 -3.00 132.00 126.40 1uph h PRO 66 Ca 0.21 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1uph h PRO 66 Cb 0.40 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1uph h PRO 66 CO -0.73 0.90 0.18 0.77 -0.23 0.00 0.00 178.00 178.89 1uph h SER 67 N 0.12 0.00 -0.67 1.44 0.02 0.14 0.97 113.55 115.57 1uph h SER 67 Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1uph h SER 67 Cb 1.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1uph h SER 67 CO 0.12 0.00 0.32 -0.07 -1.14 0.00 0.00 176.83 176.06 1uph h LEU 68 N 0.00 0.87 -0.33 5.07 -0.00 -0.53 0.83 115.31 121.23 1uph h LEU 68 Ca 0.02 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1uph h LEU 68 Cb 0.39 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.78 1uph h LEU 68 CO -0.00 0.76 -0.19 1.67 -0.00 0.00 0.00 178.44 180.68 1uph n GLN 69 N -4.46 -0.14 -1.56 1.13 0.00 0.34 -1.53 117.38 111.15 1uph n GLN 69 Ca 0.05 0.97 -0.17 0.00 -0.00 0.00 0.00 57.00 57.85 1uph n GLN 69 Cb 0.13 -1.44 0.08 0.00 0.00 0.00 0.00 30.24 29.01 1uph n GLN 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1uph n THR 70 N -3.70 2.58 -1.55 1.69 -2.24 -1.19 -5.05 114.28 104.82 1uph n THR 70 Ca 0.01 -3.76 -0.29 0.00 -2.27 0.00 0.00 64.05 57.74 1uph n THR 70 Cb 0.08 -0.88 0.15 0.00 -2.10 0.00 0.00 70.33 67.58 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 -3.25 1.60 0.54 3.38 0.00 0.29 -5.07 107.32 104.80 1uph s GLY 71 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.61 1uph s GLY 71 CO 0.01 -0.03 0.75 -1.35 0.00 0.00 0.00 173.10 172.48 1uph s SER 72 N -4.12 5.25 0.20 1.64 1.04 -1.26 -4.92 113.70 111.53 1uph s SER 72 Ca 0.65 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.76 1uph s SER 72 Cb -0.13 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.49 1uph s SER 72 CO 0.53 -1.14 1.84 1.05 0.98 0.00 0.00 173.24 176.50 1uph h GLU 73 N 0.15 0.98 -0.32 4.02 4.11 -1.99 1.00 114.58 122.53 1uph h GLU 73 Ca -0.40 -0.09 -0.07 0.00 0.07 0.00 0.00 59.36 58.87 1uph h GLU 73 Cb 1.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1uph h GLU 73 CO 0.48 0.69 -0.08 0.93 0.07 0.00 0.00 179.01 181.11 1uph h GLU 74 N 0.99 0.62 -0.60 1.06 5.08 -1.99 -1.27 114.58 118.46 1uph h GLU 74 Ca 0.26 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1uph h GLU 74 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1uph h GLU 74 CO -0.05 0.80 0.38 1.25 -1.00 0.00 0.00 179.01 180.39 1uph h LEU 75 N 0.40 0.71 -0.25 1.33 6.46 -1.85 -0.68 115.31 121.42 1uph h LEU 75 Ca 0.08 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1uph h LEU 75 Cb 0.57 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1uph h LEU 75 CO 0.03 0.53 -0.05 -0.09 -0.62 0.00 0.00 178.44 178.24 1uph h ARG 76 N 0.83 0.47 -0.92 1.25 2.43 -0.52 -0.55 114.38 117.37 1uph h ARG 76 Ca 0.22 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1uph h ARG 76 Cb -0.06 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 1uph h ARG 76 CO -0.04 0.69 0.60 0.77 -1.51 0.00 0.00 179.97 180.48 1uph h SER 77 N 0.22 1.00 -0.36 -3.80 0.02 -0.54 -0.65 113.55 109.44 1uph h SER 77 Ca 0.06 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1uph h SER 77 Cb 0.51 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1uph h SER 77 CO 0.02 0.69 0.04 0.25 -1.14 0.00 0.00 176.83 176.69 1uph h LEU 78 N 1.17 0.60 -0.77 5.07 6.46 -0.99 -1.13 115.31 125.72 1uph h LEU 78 Ca 0.36 -0.28 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1uph h LEU 78 Cb -0.01 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.69 1uph h LEU 78 CO -0.12 0.72 0.43 0.22 -0.62 0.00 0.00 178.44 179.08 1uph h TYR 79 N 0.45 0.78 -0.42 1.25 5.03 -0.28 0.32 116.97 124.11 1uph h TYR 79 Ca 0.11 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 1uph h TYR 79 Cb 0.40 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1uph h TYR 79 CO 0.03 0.34 0.03 -0.91 -1.32 0.00 0.00 178.16 176.33 1uph h ASN 80 N 0.75 0.70 -0.80 -2.11 2.35 -0.93 -0.67 115.58 114.88 1uph h ASN 80 Ca 0.36 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1uph h ASN 80 Cb 0.29 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1uph h ASN 80 CO -0.22 0.82 0.49 0.74 -1.65 0.00 0.00 177.43 177.61 1uph h THR 81 N 0.57 1.22 -0.63 2.81 2.02 -0.11 -1.15 112.91 117.63 1uph h THR 81 Ca 0.12 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1uph h THR 81 Cb 0.44 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1uph h THR 81 CO 0.02 0.23 0.18 0.40 0.37 0.00 0.00 175.52 176.71 1uph h ILE 82 N 1.09 1.25 -0.23 3.11 1.08 -0.16 0.10 117.51 123.75 1uph h ILE 82 Ca 0.29 -0.88 0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1uph h ILE 82 Cb -0.06 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1uph h ILE 82 CO -0.06 0.33 0.02 0.00 -0.69 0.00 0.00 178.15 177.76 1uph h ALA 83 N 1.06 0.22 -0.07 1.87 0.00 -0.45 0.25 119.26 122.15 1uph h ALA 83 Ca 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1uph h ALA 83 Cb 0.32 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uph h ALA 83 CO -0.00 -0.40 -0.23 0.28 0.00 0.00 0.00 179.25 178.90 1uph h VAL 84 N 0.10 1.20 -0.06 0.00 2.07 -0.93 -0.78 116.25 117.84 1uph h VAL 84 Ca 0.11 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1uph h VAL 84 Cb 0.12 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1uph h VAL 84 CO -0.16 0.27 -0.39 0.25 0.02 0.00 0.00 177.57 177.56 1uph h LEU 85 N 0.11 0.13 0.03 2.57 5.85 0.98 -1.05 115.31 123.93 1uph h LEU 85 Ca 0.02 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 1uph h LEU 85 Cb 0.47 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.48 1uph h LEU 85 CO 0.03 0.51 -0.77 0.22 -0.34 0.00 0.00 178.44 178.10 1uph h TYR 86 N 0.11 0.72 -0.88 1.25 3.20 0.55 0.15 116.97 122.07 1uph h TYR 86 Ca 0.01 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 1uph h TYR 86 Cb 0.74 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1uph h TYR 86 CO 0.01 1.25 0.52 0.00 -1.64 0.00 0.00 178.16 178.29 1uph h VAL 88 N 1.22 1.42 -0.62 0.00 3.04 -1.22 1.64 116.25 121.73 1uph h VAL 88 Ca 0.31 -1.52 0.17 0.00 -1.01 0.00 0.00 66.70 64.65 1uph h VAL 88 Cb -0.03 2.23 -0.03 0.00 -2.01 0.00 0.00 31.29 31.46 1uph h VAL 88 CO -0.06 0.43 0.44 0.45 -1.01 0.00 0.00 177.57 177.82 1uph h HIS 89 N -0.24 0.11 0.00 3.17 -0.00 -0.29 0.70 115.15 118.60 1uph h HIS 89 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1uph h HIS 89 Cb 0.78 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1uph h HIS 89 CO 0.12 0.04 -0.84 0.94 -0.00 0.00 0.00 177.93 178.19 1uph n GLN 90 N -4.39 0.39 -1.68 2.45 7.27 0.31 -4.74 117.38 116.98 1uph n GLN 90 Ca 0.12 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1uph n GLN 90 Cb 0.63 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.58 1uph n GLN 90 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uph n ARG 91 N -2.25 0.00 -4.52 3.69 1.74 0.24 -5.07 116.66 110.50 1uph n ARG 91 Ca 0.02 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1uph n ARG 91 Cb 0.47 -2.06 -0.12 0.00 -1.02 0.00 0.00 32.46 29.73 1uph n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uph s ILE 92 N -2.74 3.70 0.42 0.55 1.01 0.54 -4.98 121.20 119.71 1uph s ILE 92 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 1uph s ILE 92 Cb 0.00 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 1uph s ILE 92 CO 0.00 0.52 1.28 -0.90 0.00 0.00 0.00 174.94 175.85 1uph n ASP 93 N 3.25 2.62 -3.98 3.58 5.75 -1.26 -4.36 116.55 122.15 1uph n ASP 93 Ca -0.18 1.11 -0.11 0.00 -0.01 0.00 0.00 54.79 55.60 1uph n ASP 93 Cb 0.53 -1.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.04 1uph n ASP 93 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1uph s VAL 94 N -1.20 0.00 0.00 2.12 -7.23 -1.26 -4.95 120.40 107.88 1uph s VAL 94 Ca 0.61 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1uph s VAL 94 Cb -0.50 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1uph s VAL 94 CO 0.58 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 176.54 1uph n LYS 95 N -0.36 0.00 -4.06 4.82 3.00 -1.26 -4.85 118.16 115.44 1uph n LYS 95 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1uph n LYS 95 Cb 0.64 -0.08 -0.10 0.00 0.00 0.00 0.00 35.03 35.49 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1uph s ASP 96 N -3.11 0.44 0.55 3.14 -4.77 -1.26 0.24 116.67 111.90 1uph s ASP 96 Ca 0.00 -0.92 0.22 0.00 -3.30 0.00 0.00 52.55 48.55 1uph s ASP 96 Cb 0.00 0.20 1.50 0.00 -1.09 0.00 0.00 42.92 43.54 1uph s ASP 96 CO 0.00 -0.58 2.19 0.71 0.70 0.00 0.00 175.17 178.19 1uph h THR 97 N 3.26 0.80 -0.28 2.11 1.35 -1.06 0.13 112.91 119.21 1uph h THR 97 Ca -0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.47 1uph h THR 97 Cb 1.15 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1uph h THR 97 CO 0.63 0.00 -0.05 0.50 -0.25 0.00 0.00 175.52 176.35 1uph h LYS 98 N 0.00 0.52 -0.34 4.72 3.64 -1.86 -0.12 116.57 123.13 1uph h LYS 98 Ca 0.01 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1uph h LYS 98 Cb 0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1uph h LYS 98 CO -0.00 0.72 -0.11 1.49 -2.27 0.00 0.00 179.45 179.28 1uph h GLU 99 N 0.29 0.67 -0.12 1.90 4.22 -1.65 0.37 114.58 120.26 1uph h GLU 99 Ca 0.07 -0.27 0.02 0.00 0.08 0.00 0.00 59.36 59.27 1uph h GLU 99 Cb 0.51 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1uph h GLU 99 CO 0.02 0.85 -0.03 0.00 -2.18 0.00 0.00 179.01 177.68 1uph h ALA 100 N 0.80 0.08 -0.45 2.92 0.00 -0.95 0.41 119.26 122.07 1uph h ALA 100 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1uph h ALA 100 Cb 0.62 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uph h ALA 100 CO 0.04 -0.48 0.13 1.25 0.00 0.00 0.00 179.25 180.18 1uph h LEU 101 N 0.00 0.61 -1.09 0.00 5.85 -0.94 -0.28 115.31 119.46 1uph h LEU 101 Ca 0.06 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1uph h LEU 101 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1uph h LEU 101 CO -0.12 0.60 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.59 1uph h ASP 102 N 0.65 0.39 -0.08 1.25 3.58 0.30 -0.63 116.42 121.89 1uph h ASP 102 Ca 0.15 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1uph h ASP 102 Cb 0.22 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1uph h ASP 102 CO -0.01 0.61 -0.09 0.50 -2.88 0.00 0.00 179.24 177.37 1uph h LYS 103 N 0.36 0.20 -0.75 0.28 3.11 0.10 -0.07 116.57 119.81 1uph h LYS 103 Ca 0.06 -0.11 0.06 0.00 -2.81 0.00 0.00 60.65 57.85 1uph h LYS 103 Cb 0.57 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.75 1uph h LYS 103 CO 0.04 0.65 0.44 0.82 -2.81 0.00 0.00 179.45 178.59 1uph h ILE 104 N -0.23 1.00 -0.61 2.00 1.08 -0.87 0.18 117.51 120.05 1uph h ILE 104 Ca 0.01 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 1uph h ILE 104 Cb 0.62 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 1uph h ILE 104 CO 0.02 0.15 0.03 -0.33 -0.69 0.00 0.00 178.15 177.33 1uph h GLU 105 N 0.81 1.05 0.52 2.37 5.08 -1.05 -0.20 114.58 123.16 1uph h GLU 105 Ca 0.33 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1uph h GLU 105 Cb 0.18 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1uph h GLU 105 CO -0.18 1.00 -0.25 1.49 -1.00 0.00 0.00 179.01 180.08 1uph h GLU 106 N 0.97 -0.67 -0.15 2.33 4.81 0.27 0.19 114.58 122.32 1uph h GLU 106 Ca 0.18 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1uph h GLU 106 Cb 0.51 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1uph h GLU 106 CO 0.02 -0.40 -0.08 1.49 -0.73 0.00 0.00 179.01 179.31 1uph h GLU 107 N -0.81 -0.07 -0.24 1.92 4.81 -0.66 -0.03 114.58 119.51 1uph h GLU 107 Ca -0.07 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1uph h GLU 107 Cb 0.58 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1uph h GLU 107 CO 0.12 -0.04 -0.07 0.37 -0.73 0.00 0.00 179.01 178.65 1uph h GLN 108 N -0.07 -0.01 -0.41 1.92 -0.00 -0.97 0.28 115.11 115.85 1uph h GLN 108 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.81 1uph h GLN 108 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.61 1uph h GLN 108 CO -0.20 -0.01 -0.02 -0.97 0.00 0.00 0.00 178.83 177.63 1uph h ASN 109 N -0.02 -0.21 -0.72 -0.69 -0.73 -0.11 0.23 115.58 113.33 1uph h ASN 109 Ca 0.12 0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.41 1uph h ASN 109 Cb 0.19 0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.93 1uph h ASN 109 CO -0.26 -0.07 0.46 0.11 -0.37 0.00 0.00 177.43 177.31 1uph h LYS 110 N 0.08 0.88 0.39 6.67 1.57 -0.13 -0.53 116.57 125.51 1uph h LYS 110 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1uph h LYS 110 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1uph h LYS 110 CO -0.35 0.58 -0.34 0.77 -0.57 0.00 0.00 179.45 179.54 1uph h SER 111 N 0.90 -0.89 -0.37 0.86 0.02 0.15 0.16 113.55 114.38 1uph h SER 111 Ca 0.28 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 1uph h SER 111 Cb -0.01 0.29 -0.08 0.00 0.14 0.00 0.00 62.40 62.74 1uph h SER 111 CO -0.10 -0.49 -0.19 0.50 -1.14 0.00 0.00 176.83 175.42 1uph h LYS 112 N -0.74 -0.12 -0.25 3.45 3.11 -0.31 0.18 116.57 121.89 1uph h LYS 112 Ca -0.03 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.88 1uph h LYS 112 Cb 0.65 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.84 1uph h LYS 112 CO -0.03 -0.08 -0.22 -0.22 -2.81 0.00 0.00 179.45 176.09 1uph h LYS 113 N -0.12 -0.22 -0.35 1.90 3.64 -0.72 -0.33 116.57 120.36 1uph h LYS 113 Ca 0.19 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1uph h LYS 113 Cb 0.41 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1uph h LYS 113 CO -0.45 -0.14 -0.16 0.87 -2.27 0.00 0.00 179.45 177.29 1uph h LYS 114 N -0.23 -0.10 -0.64 1.90 1.57 0.76 0.28 116.57 120.12 1uph h LYS 114 Ca 0.14 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1uph h LYS 114 Cb 0.44 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.66 1uph h LYS 114 CO -0.38 -0.06 -0.04 0.00 -0.57 0.00 0.00 179.45 178.40 1uph h ALA 115 N 1.17 0.58 -0.33 3.86 0.00 0.62 0.11 119.26 125.28 1uph h ALA 115 Ca 0.18 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uph h ALA 115 Cb 0.37 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uph h ALA 115 CO -0.42 -0.41 0.18 1.96 0.00 0.00 0.00 179.25 180.57 1uph h GLN 116 N 0.08 0.45 -0.75 0.00 4.20 0.61 0.37 115.11 120.07 1uph h GLN 116 Ca 0.33 -0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.15 1uph h GLN 116 Cb 0.54 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.11 1uph h GLN 116 CO -0.58 0.37 0.18 0.37 -0.67 0.00 0.00 178.83 178.50 1uph h GLN 117 N 0.41 0.26 -0.05 1.46 4.15 0.19 0.21 115.11 121.74 1uph h GLN 117 Ca 0.12 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.30 1uph h GLN 117 Cb 0.04 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.68 1uph h GLN 117 CO -0.02 0.17 -0.88 0.00 -1.93 0.00 0.00 178.83 176.17 1uph h ALA 118 N 1.62 0.37 -0.91 3.38 0.00 -0.72 0.26 119.26 123.25 1uph h ALA 118 Ca 0.42 -0.66 0.19 0.00 0.00 0.00 0.00 54.91 54.86 1uph h ALA 118 Cb 0.73 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1uph h ALA 118 CO -0.52 0.75 0.60 0.00 0.00 0.00 0.00 179.25 180.08 1uph h ALA 119 N 0.69 2.06 0.00 0.00 0.00 0.27 0.38 119.26 122.66 1uph h ALA 119 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uph h ALA 119 Cb 1.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1uph h ALA 119 CO 0.16 -0.35 -0.49 0.00 0.00 0.00 0.00 179.25 178.56 1uph n ALA 120 N -2.47 0.43 -0.22 0.00 0.00 0.11 -4.49 120.51 113.87 1uph n ALA 120 Ca 0.19 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 1uph n ALA 120 Cb 0.64 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 1uph n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1uph h ASP 121 N -0.94 -1.18 -0.21 0.00 1.82 -0.33 -3.45 116.42 112.13 1uph h ASP 121 Ca 0.00 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1uph h ASP 121 Cb 0.49 0.52 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1uph h ASP 121 CO 0.00 -0.13 0.00 0.35 -1.61 0.00 0.00 179.24 177.85 1uph n THR 122 N -4.23 0.00 -3.88 2.25 -2.24 0.13 -4.88 114.28 101.43 1uph n THR 122 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1uph n THR 122 Cb 0.15 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 1uph n THR 122 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uph s GLY 123 N -1.38 0.04 0.32 3.38 0.00 -1.26 -5.09 107.32 103.33 1uph s GLY 123 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.69 1uph s GLY 123 CO 0.00 -0.19 -0.01 0.21 0.00 0.00 0.00 173.10 173.11 1uph s ASN 124 N -1.02 2.79 -0.18 1.64 2.47 -1.26 -5.16 114.94 114.22 1uph s ASN 124 Ca -0.11 -1.29 -0.17 0.00 0.42 0.00 0.00 52.86 51.72 1uph s ASN 124 Cb -0.06 -0.17 0.05 0.00 -1.45 0.00 0.00 41.25 39.61 1uph s ASN 124 CO 0.01 -0.46 0.48 0.20 -3.72 0.00 0.00 177.10 173.61 1uph s ASN 125 N -3.50 -0.50 0.11 -4.21 0.01 -1.26 -5.06 114.94 100.53 1uph s ASN 125 Ca 0.33 0.95 -0.32 0.00 -0.71 0.00 0.00 52.86 53.11 1uph s ASN 125 Cb 0.07 0.97 -0.12 0.00 0.41 0.00 0.00 41.25 42.58 1uph s ASN 125 CO 0.14 -0.17 1.57 -1.28 -1.51 0.00 0.00 177.10 175.85 1uph h SER 126 N 5.35 -1.39 -5.24 -1.22 0.87 -2.10 -3.48 113.55 106.34 1uph h SER 126 Ca -0.27 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1uph h SER 126 Cb 1.18 0.52 -0.11 0.00 -0.44 0.00 0.00 62.40 63.55 1uph h SER 126 CO 0.21 -0.52 -1.29 1.67 -0.53 0.00 0.00 176.83 176.36 1uph n GLN 127 N -5.48 -3.97 -3.58 2.24 0.00 -1.26 -5.06 117.38 100.27 1uph n GLN 127 Ca -0.08 3.04 -0.16 0.00 -0.00 0.00 0.00 57.00 59.80 1uph n GLN 127 Cb 0.40 -4.24 -0.07 0.00 0.00 0.00 0.00 30.24 26.33 1uph n GLN 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1uph s VAL 128 N -0.54 0.00 0.00 1.69 0.11 -1.26 -5.18 120.40 115.22 1uph s VAL 128 Ca -0.23 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1uph s VAL 128 Cb 0.02 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1uph s VAL 128 CO 0.64 -0.02 0.00 -1.20 -3.33 0.00 0.00 175.10 171.20 1uph n SER 129 N 1.64 0.00 -4.30 3.54 7.64 -1.26 -5.18 113.62 115.70 1uph n SER 129 Ca -0.17 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.55 1uph n SER 129 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1uph n SER 129 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1uph s GLN 130 N -2.00 1.21 1.08 1.43 -1.52 -1.26 -5.14 119.66 113.46 1uph s GLN 130 Ca 0.00 -1.55 -0.12 0.00 -1.95 0.00 0.00 55.36 51.74 1uph s GLN 130 Cb 0.00 -0.79 0.24 0.00 -0.22 0.00 0.00 33.01 32.24 1uph s GLN 130 CO 0.00 0.08 1.06 0.54 -0.25 0.00 0.00 175.29 176.71 1uph s ASN 131 N -3.25 1.68 0.00 5.90 4.22 -1.26 -5.37 114.94 116.86 1uph s ASN 131 Ca 0.21 1.56 0.27 0.00 -2.14 0.00 0.00 52.86 52.76 1uph s ASN 131 Cb 0.02 -2.26 0.77 0.00 1.28 0.00 0.00 41.25 41.06 1uph s ASN 131 CO 0.04 -3.77 1.59 0.00 -2.04 0.00 0.00 177.10 172.92