#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 0.00 -1.77 4.61 0.00 -1.26 -4.78 120.51 117.31 1uph n ALA 3 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1uph n ALA 3 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1uph n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uph s ARG 4 N -0.33 4.09 0.26 0.00 3.00 -1.26 -5.01 118.95 119.71 1uph s ARG 4 Ca 0.00 2.19 -0.07 0.00 0.00 0.00 0.00 55.73 57.85 1uph s ARG 4 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 34.95 32.03 1uph s ARG 4 CO 0.00 -0.40 0.55 0.00 0.00 0.00 0.00 175.30 175.45 1uph s ALA 5 N -1.22 3.60 -0.36 2.13 0.00 -1.26 -4.99 121.76 119.66 1uph s ALA 5 Ca 0.54 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.15 1uph s ALA 5 Cb -0.39 -2.36 0.66 0.00 0.00 0.00 0.00 23.12 21.03 1uph s ALA 5 CO 0.51 0.37 1.77 0.43 0.00 0.00 0.00 175.76 178.84 1uph n SER 6 N -0.56 3.89 0.11 0.00 7.64 -1.26 -4.50 113.62 118.94 1uph n SER 6 Ca -0.01 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.39 1uph n SER 6 Cb 0.53 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.78 0.00 -4.36 0.44 0.31 -1.26 -3.34 118.33 109.34 1uph n VAL 7 Ca 0.47 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.45 1uph n VAL 7 Cb 1.42 -0.43 -0.11 0.00 -0.91 0.00 0.00 33.84 33.82 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 -6.35 3.44 0.00 7.52 2.01 -1.26 -4.74 118.68 119.30 1uph s LEU 8 Ca 0.00 0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.14 1uph s LEU 8 Cb 0.00 -1.81 0.00 0.00 0.01 0.00 0.00 46.19 44.39 1uph s LEU 8 CO 0.00 0.26 0.00 -0.24 1.01 0.00 0.00 176.35 177.38 1uph n SER 9 N 2.94 0.00 0.39 2.29 2.88 -1.26 -4.17 113.62 116.68 1uph n SER 9 Ca -0.18 -0.70 -0.17 0.00 -1.33 0.00 0.00 58.87 56.50 1uph n SER 9 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.00 -1.17 1.26 0.46 0.00 -1.98 0.58 103.07 102.23 1uph h GLY 10 Ca 0.00 0.46 -0.23 0.00 0.00 0.00 0.00 47.33 47.56 1uph h GLY 10 CO 0.00 -0.41 -0.84 -1.33 0.00 0.00 0.00 176.54 173.97 1uph h GLY 11 N -1.05 0.79 1.49 4.60 0.00 -1.98 -1.56 103.07 105.37 1uph h GLY 11 Ca -0.10 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.05 1uph h GLY 11 CO 0.13 1.04 0.27 0.83 0.00 0.00 0.00 176.54 178.81 1uph h GLU 12 N 0.47 0.67 -0.00 4.80 5.08 -1.93 0.14 114.58 123.80 1uph h GLU 12 Ca -0.07 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1uph h GLU 12 Cb 1.46 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1uph h GLU 12 CO 0.17 0.49 -0.49 1.25 -1.00 0.00 0.00 179.01 179.44 1uph h LEU 13 N 0.68 0.43 -1.71 1.33 5.85 0.22 0.46 115.31 122.57 1uph h LEU 13 Ca 0.18 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1uph h LEU 13 Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1uph h LEU 13 CO -0.03 1.14 0.29 -0.78 -0.34 0.00 0.00 178.44 178.72 1uph h ASP 14 N -0.23 0.31 0.16 1.25 3.58 -0.81 0.19 116.42 120.88 1uph h ASP 14 Ca -0.06 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.10 1uph h ASP 14 Cb 1.21 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.20 1uph h ASP 14 CO 0.10 0.21 -1.42 0.11 -2.88 0.00 0.00 179.24 175.35 1uph h LYS 15 N 0.36 0.35 -0.19 0.28 1.57 -0.70 -3.25 116.57 114.98 1uph h LYS 15 Ca 0.19 -0.59 0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1uph h LYS 15 Cb 0.29 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1uph h LYS 15 CO -0.04 1.28 0.20 2.35 -0.57 0.00 0.00 179.45 182.67 1uph h TRP 16 N -0.12 0.00 -0.49 -1.35 2.91 0.82 0.29 115.95 118.01 1uph h TRP 16 Ca -0.28 0.00 -0.27 0.00 1.13 0.00 0.00 58.89 59.46 1uph h TRP 16 Cb 1.91 0.00 -0.15 0.00 -0.51 0.00 0.00 29.16 30.41 1uph h TRP 16 CO 0.13 0.00 0.35 -1.91 -1.03 0.00 0.00 178.44 175.98 1uph n GLU 17 N -3.84 1.67 0.00 2.65 0.00 0.59 -3.43 120.64 118.28 1uph n GLU 17 Ca 0.02 -1.51 0.01 0.00 0.00 0.00 0.00 57.16 55.68 1uph n GLU 17 Cb 0.33 -1.59 -0.01 0.00 0.00 0.00 0.00 31.44 30.17 1uph n GLU 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1uph n LYS 18 N -0.16 4.36 -3.02 5.31 -0.00 0.10 -4.67 118.16 120.09 1uph n LYS 18 Ca 0.30 -0.18 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 1uph n LYS 18 Cb 0.96 -0.73 -0.05 0.00 -0.00 0.00 0.00 35.03 35.20 1uph n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1uph s ILE 19 N -0.96 4.94 0.18 0.58 1.09 -1.22 -4.52 121.20 121.28 1uph s ILE 19 Ca 0.02 1.35 -0.15 0.00 -1.10 0.00 0.00 60.65 60.77 1uph s ILE 19 Cb 0.02 -4.02 -0.07 0.00 -1.06 0.00 0.00 42.46 37.33 1uph s ILE 19 CO 0.08 0.03 0.59 -0.13 -0.10 0.00 0.00 174.94 175.41 1uph s ARG 20 N 2.32 4.02 0.07 2.79 0.52 0.61 -0.65 118.95 128.63 1uph s ARG 20 Ca 0.31 0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 55.98 1uph s ARG 20 Cb -0.16 -2.88 -0.27 0.00 0.52 0.00 0.00 34.95 32.17 1uph s ARG 20 CO 0.10 0.43 1.13 -0.07 0.02 0.00 0.00 175.30 176.91 1uph h LEU 21 N 3.39 0.64 -9.78 2.53 3.38 -1.44 0.55 115.31 114.58 1uph h LEU 21 Ca -0.48 -0.63 -0.60 0.00 0.09 0.00 0.00 57.88 56.25 1uph h LEU 21 Cb 1.19 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1uph h LEU 21 CO 0.66 1.47 -0.56 -0.13 0.09 0.00 0.00 178.44 179.98 1uph s ARG 22 N -2.81 3.06 0.09 1.13 1.81 -1.26 -4.61 118.95 116.37 1uph s ARG 22 Ca -0.07 -0.69 -0.12 0.00 -1.72 0.00 0.00 55.73 53.14 1uph s ARG 22 Cb 0.06 -2.79 -0.18 0.00 -0.45 0.00 0.00 34.95 31.59 1uph s ARG 22 CO 0.91 0.54 1.25 -1.00 -0.68 0.00 0.00 175.30 176.33 1uph h PRO 23 N 2.85 0.70 0.00 3.54 0.13 -1.98 -3.16 132.00 134.09 1uph h PRO 23 Ca -0.47 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 63.99 1uph h PRO 23 Cb 1.18 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1uph h PRO 23 CO 0.67 1.27 -0.18 0.41 -0.23 0.00 0.00 178.00 179.94 1uph n GLY 24 N 0.91 -1.62 0.00 1.56 0.00 -1.26 -5.03 105.19 99.76 1uph n GLY 24 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 2.67 0.00 -0.02 0.00 -1.19 -5.10 105.19 102.87 1uph n GLY 25 Ca 0.05 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1uph n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uph n LYS 26 N -1.01 0.00 -3.79 1.61 3.00 -1.26 -4.55 118.16 112.15 1uph n LYS 26 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1uph n LYS 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uph n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1uph s LYS 27 N 0.00 0.89 0.35 1.64 1.02 -1.26 -5.06 119.74 117.32 1uph s LYS 27 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.50 1uph s LYS 27 Cb 0.00 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1uph s LYS 27 CO 0.00 -0.41 0.06 -0.65 -0.92 0.00 0.00 175.35 173.43 1uph s GLN 28 N -2.52 1.75 0.82 1.68 -0.21 -1.26 -1.12 119.66 118.80 1uph s GLN 28 Ca 0.18 -2.00 -0.13 0.00 0.02 0.00 0.00 55.36 53.43 1uph s GLN 28 Cb 0.00 -0.93 0.08 0.00 1.00 0.00 0.00 33.01 33.16 1uph s GLN 28 CO 0.01 -0.23 1.14 0.66 -2.12 0.00 0.00 175.29 174.75 1uph n TYR 29 N -0.77 1.05 -3.89 0.91 4.02 0.18 -4.89 117.16 113.77 1uph n TYR 29 Ca -0.04 0.40 -0.11 0.00 -0.01 0.00 0.00 57.90 58.14 1uph n TYR 29 Cb 0.66 -2.08 0.01 0.00 -0.02 0.00 0.00 39.34 37.91 1uph n TYR 29 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1uph s LYS 30 N -4.08 2.16 0.60 -0.72 2.20 -1.26 -4.29 119.74 114.35 1uph s LYS 30 Ca 0.72 -1.54 0.38 0.00 -0.36 0.00 0.00 55.97 55.16 1uph s LYS 30 Cb -0.29 0.58 2.05 0.00 -1.51 0.00 0.00 37.83 38.67 1uph s LYS 30 CO 0.52 -0.98 2.15 1.25 -0.36 0.00 0.00 175.35 177.93 1uph h LEU 31 N 2.03 0.00 -0.20 5.43 7.12 -1.97 0.39 115.31 128.11 1uph h LEU 31 Ca -0.31 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.63 1uph h LEU 31 Cb 1.25 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1uph h LEU 31 CO 0.40 0.00 -0.16 0.50 -0.13 0.00 0.00 178.44 179.05 1uph h LYS 32 N 0.00 0.46 -0.23 1.25 1.63 -1.98 0.31 116.57 118.00 1uph h LYS 32 Ca 0.00 -0.23 -0.17 0.00 -0.85 0.00 0.00 60.65 59.40 1uph h LYS 32 Cb 0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1uph h LYS 32 CO 0.00 0.79 -0.54 0.45 -3.45 0.00 0.00 179.45 176.69 1uph h HIS 33 N 0.13 0.87 -0.38 1.91 3.86 -1.36 -0.24 115.15 119.95 1uph h HIS 33 Ca 0.04 -0.31 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 1uph h HIS 33 Cb 0.69 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1uph h HIS 33 CO 0.08 1.08 0.03 0.82 0.86 0.00 0.00 177.93 180.80 1uph h ILE 34 N 0.54 1.25 -0.52 2.45 2.04 -1.18 0.15 117.51 122.24 1uph h ILE 34 Ca 0.01 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 1uph h ILE 34 Cb 1.11 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1uph h ILE 34 CO 0.11 0.31 0.02 0.58 0.00 0.00 0.00 178.15 179.17 1uph h VAL 35 N 0.48 1.25 -0.07 1.67 2.07 -0.30 0.39 116.25 121.73 1uph h VAL 35 Ca 0.11 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1uph h VAL 35 Cb 0.42 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1uph h VAL 35 CO 0.01 0.37 0.03 -0.25 0.02 0.00 0.00 177.57 177.75 1uph h TRP 36 N 0.81 0.12 -0.71 1.57 7.01 -0.70 -0.84 115.95 123.20 1uph h TRP 36 Ca 0.16 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 1uph h TRP 36 Cb 0.46 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 1uph h TRP 36 CO 0.03 0.26 0.32 0.00 -2.79 0.00 0.00 178.44 176.25 1uph h ALA 37 N 0.85 1.23 -0.31 2.65 0.00 -0.38 -1.02 119.26 122.28 1uph h ALA 37 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1uph h ALA 37 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1uph h ALA 37 CO -0.00 0.58 0.10 1.03 0.00 0.00 0.00 179.25 180.96 1uph h SER 38 N 1.01 0.09 -0.58 0.00 0.87 0.21 0.22 113.55 115.38 1uph h SER 38 Ca 0.24 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1uph h SER 38 Cb 0.13 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1uph h SER 38 CO -0.03 0.09 0.24 -0.09 -0.53 0.00 0.00 176.83 176.51 1uph h ARG 39 N 0.23 0.85 -0.40 2.24 2.43 -0.68 -1.31 114.38 117.74 1uph h ARG 39 Ca 0.14 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1uph h ARG 39 Cb 0.12 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1uph h ARG 39 CO -0.16 0.73 0.24 1.49 -1.51 0.00 0.00 179.97 180.76 1uph h GLU 40 N 0.79 0.47 -0.00 0.20 4.57 -0.53 0.76 114.58 120.84 1uph h GLU 40 Ca 0.19 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1uph h GLU 40 Cb 0.19 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1uph h GLU 40 CO -0.02 0.31 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.98 1uph h LEU 41 N 0.49 -0.22 -1.71 1.64 4.07 -0.29 0.50 115.31 119.78 1uph h LEU 41 Ca 0.16 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1uph h LEU 41 Cb -0.00 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1uph h LEU 41 CO -0.07 -0.11 0.32 -0.08 -1.08 0.00 0.00 178.44 177.42 1uph h GLU 42 N -0.13 0.34 0.00 1.13 4.81 -0.84 0.25 114.58 120.13 1uph h GLU 42 Ca 0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1uph h GLU 42 Cb 0.17 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1uph h GLU 42 CO -0.08 0.22 -0.10 0.00 -0.73 0.00 0.00 179.01 178.32 1uph h ARG 43 N 0.35 0.00 -0.36 1.92 -0.00 0.44 -3.08 114.38 113.65 1uph h ARG 43 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.69 1uph h ARG 43 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.35 1uph h ARG 43 CO -0.05 0.10 0.00 1.19 0.00 0.00 0.00 179.97 181.21 1uph n PHE 44 N -3.12 0.30 -2.95 3.04 3.72 0.16 -4.85 117.46 113.76 1uph n PHE 44 Ca 0.04 -0.13 -0.22 0.00 -0.05 0.00 0.00 57.45 57.09 1uph n PHE 44 Cb 0.57 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.05 -0.93 -2.52 4.37 0.00 -1.12 -4.97 120.51 115.39 1uph n ALA 45 Ca 0.06 0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1uph n ALA 45 Cb 0.23 -3.39 -0.12 0.00 0.00 0.00 0.00 19.45 16.17 1uph n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uph s VAL 46 N -3.10 1.74 0.23 0.00 0.11 -0.88 -5.06 120.40 113.44 1uph s VAL 46 Ca 0.26 -1.60 -0.30 0.00 -2.93 0.00 0.00 61.98 57.41 1uph s VAL 46 Cb -0.12 -1.61 -0.09 0.00 -1.53 0.00 0.00 36.38 33.04 1uph s VAL 46 CO 0.32 -0.10 1.09 0.20 -3.33 0.00 0.00 175.10 173.28 1uph s ASN 47 N -2.03 7.29 0.18 3.54 0.01 -1.26 -3.80 114.94 118.87 1uph s ASN 47 Ca 0.08 2.17 0.02 0.00 -0.71 0.00 0.00 52.86 54.42 1uph s ASN 47 Cb -0.09 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.00 1uph s ASN 47 CO 0.05 -0.16 1.42 1.55 -1.51 0.00 0.00 177.10 178.44 1uph h PRO 48 N 4.43 0.23 0.00 -0.60 0.13 -1.91 -3.04 132.00 131.24 1uph h PRO 48 Ca -0.46 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1uph h PRO 48 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uph h PRO 48 CO 0.70 0.92 0.19 0.78 -0.23 0.00 0.00 178.00 180.36 1uph h GLY 49 N 1.69 0.00 1.43 1.56 0.00 -1.92 0.16 103.07 105.98 1uph h GLY 49 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1uph h GLY 49 CO 0.13 0.00 0.20 1.41 0.00 0.00 0.00 176.54 178.27 1uph h LEU 50 N 0.00 0.67 0.00 3.11 3.38 -1.87 0.19 115.31 120.79 1uph h LEU 50 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1uph h LEU 50 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uph h LEU 50 CO 0.00 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.32 1uph n LEU 51 N -4.34 0.00 0.00 1.67 4.77 0.56 -1.62 117.00 118.04 1uph n LEU 51 Ca 0.04 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1uph n LEU 51 Cb 0.16 -0.17 0.66 0.00 -2.33 0.00 0.00 43.42 41.74 1uph n LEU 51 CO 0.38 -0.05 0.93 1.21 -1.33 0.00 0.00 177.39 178.53 1uph n GLU 52 N -1.17 0.43 -3.83 3.23 2.13 0.66 -4.59 120.64 117.50 1uph n GLU 52 Ca 0.13 0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.87 1uph n GLU 52 Cb 0.14 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.23 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 -2.48 0.02 0.51 6.31 -4.23 -1.01 -4.88 115.64 109.88 1uph s THR 53 Ca 0.27 -0.18 0.20 0.00 -1.18 0.00 0.00 61.69 60.79 1uph s THR 53 Cb 0.17 -0.27 0.34 0.00 1.34 0.00 0.00 72.50 74.08 1uph s THR 53 CO 0.38 -0.10 2.04 0.77 -0.54 0.00 0.00 174.62 177.17 1uph h SER 54 N 5.50 0.08 -0.03 3.99 4.64 -1.83 0.84 113.55 126.74 1uph h SER 54 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1uph h SER 54 Cb 1.20 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1uph h SER 54 CO 0.41 0.05 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.05 1uph h GLU 55 N 0.09 0.08 -0.47 4.77 5.08 -1.95 -0.16 114.58 122.02 1uph h GLU 55 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1uph h GLU 55 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1uph h GLU 55 CO -0.02 0.59 0.30 0.78 -1.00 0.00 0.00 179.01 179.66 1uph h GLY 56 N -0.43 0.67 1.09 -3.84 0.00 -1.31 0.30 103.07 99.55 1uph h GLY 56 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1uph h GLY 56 CO 0.01 0.26 0.24 0.00 0.00 0.00 0.00 176.54 177.05 1uph h ARG 58 N 1.10 1.01 -0.35 0.00 1.12 -0.31 0.66 114.38 117.62 1uph h ARG 58 Ca 0.24 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 59.03 1uph h ARG 58 Cb 0.29 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1uph h ARG 58 CO -0.01 0.67 0.12 0.37 -3.11 0.00 0.00 179.97 178.01 1uph h GLN 59 N 1.04 0.53 -0.25 0.20 4.15 -0.43 -0.80 115.11 119.55 1uph h GLN 59 Ca 0.28 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1uph h GLN 59 Cb -0.12 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1uph h GLN 59 CO -0.06 0.54 0.12 0.82 -1.93 0.00 0.00 178.83 178.32 1uph h ILE 60 N 0.41 1.00 -0.69 2.39 2.04 -0.76 0.40 117.51 122.29 1uph h ILE 60 Ca 0.11 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1uph h ILE 60 Cb 0.22 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1uph h ILE 60 CO -0.01 0.05 0.37 0.25 0.00 0.00 0.00 178.15 178.81 1uph h LEU 61 N 0.26 0.52 -1.26 1.44 6.46 -0.67 0.17 115.31 122.23 1uph h LEU 61 Ca 0.10 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1uph h LEU 61 Cb 0.02 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1uph h LEU 61 CO -0.07 0.32 -0.20 1.23 -0.62 0.00 0.00 178.44 179.10 1uph h GLY 62 N 0.65 0.00 1.11 3.75 0.00 -0.34 0.45 103.07 108.69 1uph h GLY 62 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.46 1uph h GLY 62 CO -0.22 0.00 -0.62 -1.61 0.00 0.00 0.00 176.54 174.09 1uph h GLN 63 N 0.00 0.79 0.00 4.80 5.75 0.25 -3.11 115.11 123.59 1uph h GLN 63 Ca -0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1uph h GLN 63 Cb 0.67 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1uph h GLN 63 CO 0.03 1.19 -0.73 -0.07 -2.65 0.00 0.00 178.83 176.60 1uph h LEU 64 N 0.53 0.00 -0.95 -2.39 3.38 -0.89 -3.38 115.31 111.61 1uph h LEU 64 Ca -0.02 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 57.91 1uph h LEU 64 Cb 1.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 1uph h LEU 64 CO 0.13 0.10 -0.32 0.00 0.09 0.00 0.00 178.44 178.44 1uph n GLN 65 N -2.18 -0.17 0.05 1.13 1.13 0.15 0.58 117.38 118.08 1uph n GLN 65 Ca 0.03 1.47 -0.13 0.00 -1.94 0.00 0.00 57.00 56.43 1uph n GLN 65 Cb 0.45 -2.19 -0.03 0.00 0.11 0.00 0.00 30.24 28.58 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 0.48 0.00 -1.09 0.13 -1.73 -2.98 132.00 126.81 1uph h PRO 66 Ca 0.38 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1uph h PRO 66 Cb 0.62 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1uph h PRO 66 CO -0.96 1.10 0.09 0.77 -0.23 0.00 0.00 178.00 178.78 1uph h SER 67 N 0.29 0.00 -0.46 1.44 0.02 -0.03 0.12 113.55 114.92 1uph h SER 67 Ca -0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1uph h SER 67 Cb 1.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1uph h SER 67 CO 0.16 0.00 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.56 1uph h LEU 68 N 0.00 1.00 -0.16 5.07 3.38 -0.47 0.81 115.31 124.94 1uph h LEU 68 Ca 0.00 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1uph h LEU 68 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1uph h LEU 68 CO 0.00 1.18 -0.09 1.67 0.09 0.00 0.00 178.44 181.28 1uph n GLN 69 N -4.13 -0.07 -1.86 1.13 -0.06 0.41 -1.50 117.38 111.29 1uph n GLN 69 Ca -0.00 0.89 -0.27 0.00 -2.00 0.00 0.00 57.00 55.61 1uph n GLN 69 Cb 0.46 -1.32 0.03 0.00 -4.06 0.00 0.00 30.24 25.35 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1uph n THR 70 N -3.24 2.83 -2.10 1.69 5.66 -1.24 -5.04 114.28 112.84 1uph n THR 70 Ca 0.00 -3.92 -0.27 0.00 -3.05 0.00 0.00 64.05 56.81 1uph n THR 70 Cb 0.04 -1.15 0.11 0.00 -1.55 0.00 0.00 70.33 67.78 1uph n THR 70 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1uph s GLY 71 N -3.10 1.70 0.50 1.09 0.00 0.28 -5.07 107.32 102.71 1uph s GLY 71 Ca 0.54 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 44.27 1uph s GLY 71 CO 0.01 -0.48 0.72 -1.35 0.00 0.00 0.00 173.10 172.00 1uph s SER 72 N -4.66 5.49 0.21 1.64 1.04 -1.26 -4.90 113.70 111.26 1uph s SER 72 Ca 0.65 0.04 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1uph s SER 72 Cb -0.08 -1.06 0.20 0.00 0.10 0.00 0.00 66.02 65.17 1uph s SER 72 CO 0.48 -0.96 1.85 -0.08 0.98 0.00 0.00 173.24 175.50 1uph h GLU 73 N 0.24 0.83 -0.33 4.02 4.81 -1.99 0.28 114.58 122.44 1uph h GLU 73 Ca -0.43 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 1uph h GLU 73 Cb 1.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1uph h GLU 73 CO 0.53 0.55 -0.04 1.49 -0.73 0.00 0.00 179.01 180.81 1uph h GLU 74 N 0.85 0.61 -0.97 1.92 4.81 -1.99 -1.44 114.58 118.38 1uph h GLU 74 Ca 0.29 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1uph h GLU 74 Cb 0.04 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1uph h GLU 74 CO -0.12 0.76 0.61 1.25 -0.73 0.00 0.00 179.01 180.79 1uph h LEU 75 N 0.40 1.13 -0.05 1.64 6.46 -1.80 -1.17 115.31 121.92 1uph h LEU 75 Ca 0.09 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1uph h LEU 75 Cb 0.51 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1uph h LEU 75 CO 0.02 0.85 0.03 0.03 -0.62 0.00 0.00 178.44 178.75 1uph h ARG 76 N 1.32 0.07 -0.87 1.25 3.08 -0.23 -0.90 114.38 118.11 1uph h ARG 76 Ca 0.35 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.49 1uph h ARG 76 Cb -0.11 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 1uph h ARG 76 CO -0.07 0.15 0.56 1.03 -1.07 0.00 0.00 179.97 180.57 1uph h SER 77 N -0.02 0.78 -0.21 7.04 0.87 -0.79 -0.68 113.55 120.54 1uph h SER 77 Ca 0.02 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1uph h SER 77 Cb 0.10 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1uph h SER 77 CO -0.00 0.46 0.06 0.25 -0.53 0.00 0.00 176.83 177.07 1uph h LEU 78 N 0.86 0.31 -0.76 2.23 7.12 -0.73 -1.22 115.31 123.11 1uph h LEU 78 Ca 0.40 -0.21 0.08 0.00 0.13 0.00 0.00 57.88 58.28 1uph h LEU 78 Cb 0.41 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.39 1uph h LEU 78 CO -0.17 0.43 0.43 0.22 -0.13 0.00 0.00 178.44 179.23 1uph h TYR 79 N 0.16 0.79 -0.39 1.25 3.20 0.16 0.22 116.97 122.35 1uph h TYR 79 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1uph h TYR 79 Cb 0.24 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1uph h TYR 79 CO 0.00 0.35 0.19 -0.97 -1.64 0.00 0.00 178.16 176.09 1uph h ASN 80 N 0.76 0.51 -0.76 -2.11 -0.73 -0.93 -0.07 115.58 112.25 1uph h ASN 80 Ca 0.36 -0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.40 1uph h ASN 80 Cb 0.28 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 1uph h ASN 80 CO -0.22 0.49 0.47 0.74 -0.37 0.00 0.00 177.43 178.54 1uph h THR 81 N 0.49 1.21 -0.64 -3.57 2.02 -0.17 -1.26 112.91 110.99 1uph h THR 81 Ca 0.13 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1uph h THR 81 Cb 0.11 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1uph h THR 81 CO -0.02 0.21 0.35 0.40 0.37 0.00 0.00 175.52 176.84 1uph h ILE 82 N 1.03 1.20 -0.23 3.11 1.08 -0.20 0.21 117.51 123.71 1uph h ILE 82 Ca 0.27 -0.51 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1uph h ILE 82 Cb -0.06 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 1uph h ILE 82 CO -0.05 0.22 0.03 0.00 -0.69 0.00 0.00 178.15 177.66 1uph h ALA 83 N 1.17 0.23 -0.36 1.87 0.00 -0.35 0.95 119.26 122.75 1uph h ALA 83 Ca 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1uph h ALA 83 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1uph h ALA 83 CO -0.04 -0.40 0.04 0.28 0.00 0.00 0.00 179.25 179.14 1uph h VAL 84 N 0.11 1.19 -0.54 0.00 2.07 -0.81 -0.37 116.25 117.90 1uph h VAL 84 Ca 0.11 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1uph h VAL 84 Cb 0.12 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1uph h VAL 84 CO -0.16 0.25 0.20 0.25 0.02 0.00 0.00 177.57 178.13 1uph h LEU 85 N 0.53 0.72 -0.16 2.57 5.85 0.91 -1.10 115.31 124.63 1uph h LEU 85 Ca 0.12 -0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.51 1uph h LEU 85 Cb 0.28 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1uph h LEU 85 CO 0.00 0.67 -0.85 0.22 -0.34 0.00 0.00 178.44 178.15 1uph h TYR 86 N 0.78 0.95 -0.58 1.25 3.20 0.18 0.25 116.97 123.01 1uph h TYR 86 Ca 0.18 -0.45 0.02 0.00 3.14 0.00 0.00 58.73 61.63 1uph h TYR 86 Cb 0.19 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1uph h TYR 86 CO 0.01 1.27 0.35 0.00 -1.64 0.00 0.00 178.16 178.16 1uph h VAL 88 N 0.70 1.45 -0.26 0.00 3.04 -1.20 1.57 116.25 121.56 1uph h VAL 88 Ca 0.23 -1.66 0.07 0.00 -1.01 0.00 0.00 66.70 64.34 1uph h VAL 88 Cb 0.01 2.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1uph h VAL 88 CO -0.09 0.46 0.31 0.45 -1.01 0.00 0.00 177.57 177.69 1uph h HIS 89 N -0.30 0.00 0.00 3.17 -0.00 -0.14 0.64 115.15 118.53 1uph h HIS 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1uph h HIS 89 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1uph h HIS 89 CO 0.14 0.00 -1.47 1.04 -0.00 0.00 0.00 177.93 177.63 1uph n GLN 90 N -3.66 0.41 -1.85 2.45 1.13 0.11 -4.55 117.38 111.41 1uph n GLN 90 Ca 0.04 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1uph n GLN 90 Cb 0.45 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 -2.02 0.00 -4.50 -1.09 0.63 0.22 -5.06 116.66 104.84 1uph n ARG 91 Ca -0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1uph n ARG 91 Cb 0.48 -2.22 -0.12 0.00 0.45 0.00 0.00 32.46 31.05 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 -2.99 3.74 0.11 5.15 1.01 0.51 -4.98 121.20 123.75 1uph s ILE 92 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 60.65 59.89 1uph s ILE 92 Cb 0.00 -2.61 -0.13 0.00 0.01 0.00 0.00 42.46 39.73 1uph s ILE 92 CO 0.00 0.52 1.66 -0.90 0.00 0.00 0.00 174.94 176.22 1uph n ASP 93 N 3.25 3.22 -4.40 3.58 5.75 -1.26 -4.46 116.55 122.23 1uph n ASP 93 Ca -0.18 1.05 -0.22 0.00 -0.01 0.00 0.00 54.79 55.44 1uph n ASP 93 Cb 0.53 -1.42 -0.10 0.00 -1.03 0.00 0.00 41.12 39.09 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 1.67 1.06 0.00 2.12 -7.23 -1.26 -4.99 120.40 111.77 1uph s VAL 94 Ca 0.82 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1uph s VAL 94 Cb -0.67 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1uph s VAL 94 CO 0.41 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.49 1uph n LYS 95 N -0.71 0.00 -4.10 4.82 2.85 -1.26 -4.87 118.16 114.88 1uph n LYS 95 Ca -0.03 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 1uph n LYS 95 Cb 0.66 -0.11 -0.08 0.00 -0.65 0.00 0.00 35.03 34.85 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1uph s ASP 96 N -3.56 0.11 0.27 -5.58 -4.77 -1.26 -0.28 116.67 101.59 1uph s ASP 96 Ca 0.00 -1.15 0.01 0.00 -3.30 0.00 0.00 52.55 48.11 1uph s ASP 96 Cb 0.00 0.42 0.37 0.00 -1.09 0.00 0.00 42.92 42.61 1uph s ASP 96 CO 0.00 -0.89 1.71 0.00 0.70 0.00 0.00 175.17 176.69 1uph h THR 97 N 2.58 1.27 -0.27 2.11 1.03 -1.13 -0.37 112.91 118.12 1uph h THR 97 Ca -0.33 -1.27 -0.06 0.00 -0.01 0.00 0.00 66.41 64.74 1uph h THR 97 Cb 1.24 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 1uph h THR 97 CO 0.50 0.41 -0.07 0.50 -0.01 0.00 0.00 175.52 176.85 1uph h LYS 98 N 0.48 0.52 -0.17 0.00 3.64 -1.86 -1.21 116.57 117.98 1uph h LYS 98 Ca 0.07 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1uph h LYS 98 Cb 0.67 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1uph h LYS 98 CO 0.05 0.73 0.08 1.49 -2.27 0.00 0.00 179.45 179.54 1uph h GLU 99 N 0.27 0.24 -0.34 1.90 4.57 -1.90 -0.39 114.58 118.94 1uph h GLU 99 Ca 0.07 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1uph h GLU 99 Cb 0.54 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1uph h GLU 99 CO 0.03 0.27 0.02 0.00 -1.18 0.00 0.00 179.01 178.15 1uph h ALA 100 N 0.96 0.32 -0.91 2.92 0.00 -1.01 0.43 119.26 121.97 1uph h ALA 100 Ca 0.06 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1uph h ALA 100 Cb 0.11 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1uph h ALA 100 CO -0.01 -0.38 0.58 1.25 0.00 0.00 0.00 179.25 180.68 1uph h LEU 101 N 0.12 0.91 -1.19 0.00 5.85 -0.95 0.12 115.31 120.17 1uph h LEU 101 Ca 0.16 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1uph h LEU 101 Cb 0.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1uph h LEU 101 CO -0.26 0.59 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.42 1uph h ASP 102 N 1.05 0.27 -0.07 1.25 1.82 0.66 0.37 116.42 121.77 1uph h ASP 102 Ca 0.39 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1uph h ASP 102 Cb 0.16 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.09 1uph h ASP 102 CO -0.17 0.51 0.02 0.50 -1.61 0.00 0.00 179.24 178.50 1uph h LYS 103 N 0.25 0.11 -0.23 0.28 1.63 0.23 0.37 116.57 119.22 1uph h LYS 103 Ca 0.04 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1uph h LYS 103 Cb 0.56 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 1uph h LYS 103 CO 0.04 0.27 -0.41 0.82 -3.45 0.00 0.00 179.45 176.72 1uph h ILE 104 N -0.07 1.30 -0.72 2.00 2.04 -0.85 -1.04 117.51 120.17 1uph h ILE 104 Ca 0.02 -1.57 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 1uph h ILE 104 Cb 0.20 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1uph h ILE 104 CO -0.00 0.49 0.18 -0.33 0.00 0.00 0.00 178.15 178.49 1uph h GLU 105 N 0.44 1.15 0.13 2.37 4.39 -0.00 0.15 114.58 123.20 1uph h GLU 105 Ca 0.04 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1uph h GLU 105 Cb 0.90 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1uph h GLU 105 CO 0.08 1.00 -0.06 1.49 -1.16 0.00 0.00 179.01 180.36 1uph h GLU 106 N 1.09 -0.16 -0.04 2.33 4.57 -0.05 -0.91 114.58 121.41 1uph h GLU 106 Ca 0.23 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 1uph h GLU 106 Cb 0.37 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1uph h GLU 106 CO 0.00 0.24 -0.14 1.49 -1.18 0.00 0.00 179.01 179.42 1uph h GLU 107 N -0.62 -0.21 -0.19 1.92 4.57 -1.12 0.86 114.58 119.78 1uph h GLU 107 Ca -0.02 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1uph h GLU 107 Cb 0.48 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 1uph h GLU 107 CO 0.03 -0.14 -0.09 1.96 -1.18 0.00 0.00 179.01 179.59 1uph h GLN 108 N -0.22 -0.06 -0.42 1.92 1.08 -0.75 0.30 115.11 116.96 1uph h GLN 108 Ca 0.06 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.34 1uph h GLN 108 Cb 0.30 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.68 1uph h GLN 108 CO -0.17 -0.04 -0.01 -0.97 -0.95 0.00 0.00 178.83 176.69 1uph h ASN 109 N -0.07 -0.20 -0.73 1.46 -0.73 -0.71 0.23 115.58 114.83 1uph h ASN 109 Ca 0.10 0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.40 1uph h ASN 109 Cb 0.22 0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 1uph h ASN 109 CO -0.24 -0.06 0.47 0.50 -0.37 0.00 0.00 177.43 177.73 1uph h LYS 110 N 0.09 0.89 0.40 6.67 3.64 0.01 -0.34 116.57 127.94 1uph h LYS 110 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1uph h LYS 110 Cb 0.30 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1uph h LYS 110 CO -0.36 0.59 -0.33 0.77 -2.27 0.00 0.00 179.45 177.85 1uph h SER 111 N 0.92 -0.88 -0.31 4.20 0.02 0.16 0.17 113.55 117.83 1uph h SER 111 Ca 0.29 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 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 -0.48 -0.21 0.50 -1.14 0.00 0.00 176.83 175.40 1uph h LYS 112 N -0.73 -0.17 -0.33 3.45 3.11 -0.31 0.15 116.57 121.74 1uph h LYS 112 Ca -0.03 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.89 1uph h LYS 112 Cb 0.64 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.83 1uph h LYS 112 CO -0.02 -0.11 -0.20 0.87 -2.81 0.00 0.00 179.45 177.18 1uph h LYS 113 N -0.17 -0.15 -0.23 1.90 1.57 -0.72 0.20 116.57 118.96 1uph h LYS 113 Ca 0.16 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1uph h LYS 113 Cb 0.42 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1uph h LYS 113 CO -0.42 -0.10 -0.23 -0.22 -0.57 0.00 0.00 179.45 177.91 1uph h LYS 114 N -0.16 -0.23 -0.31 3.15 3.64 0.75 0.20 116.57 123.61 1uph h LYS 114 Ca 0.17 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1uph h LYS 114 Cb 0.41 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1uph h LYS 114 CO -0.42 -0.15 -0.21 0.00 -2.27 0.00 0.00 179.45 176.40 1uph h ALA 115 N 0.82 -0.00 -0.28 5.00 0.00 0.57 0.55 119.26 125.91 1uph h ALA 115 Ca 0.13 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1uph h ALA 115 Cb 0.44 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1uph h ALA 115 CO -0.37 -0.60 -0.16 0.37 0.00 0.00 0.00 179.25 178.48 1uph h GLN 116 N -0.17 -0.12 -0.36 0.00 4.15 0.56 0.15 115.11 119.32 1uph h GLN 116 Ca 0.16 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.67 1uph h GLN 116 Cb 0.42 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.07 1uph h GLN 116 CO -0.42 -0.08 -0.13 0.37 -1.93 0.00 0.00 178.83 176.63 1uph h GLN 117 N -0.13 -0.06 0.45 1.69 4.15 0.53 0.17 115.11 121.92 1uph h GLN 117 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1uph h GLN 117 Cb 0.36 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1uph h GLN 117 CO -0.36 -0.04 -0.42 0.00 -1.93 0.00 0.00 178.83 176.08 1uph h ALA 118 N 1.25 -0.94 -0.37 3.38 0.00 0.01 -1.16 119.26 121.43 1uph h ALA 118 Ca 0.18 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1uph h ALA 118 Cb 0.33 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1uph h ALA 118 CO -0.41 -1.07 -0.48 0.00 0.00 0.00 0.00 179.25 177.30 1uph h ALA 119 N -0.56 -0.70 -0.84 0.00 0.00 -0.14 0.03 119.26 117.05 1uph h ALA 119 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1uph h ALA 119 Cb 0.77 1.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 1uph h ALA 119 CO -0.05 -0.94 -0.52 0.00 0.00 0.00 0.00 179.25 177.74 1uph h ALA 120 N -0.21 -0.52 -0.84 0.00 0.00 -0.47 0.75 119.26 117.97 1uph h ALA 120 Ca 0.07 0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.26 1uph h ALA 120 Cb 0.50 1.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.45 1uph h ALA 120 CO -0.52 -0.88 -0.11 0.22 0.00 0.00 0.00 179.25 177.96 1uph h ASP 121 N -0.04 -0.61 0.00 0.00 3.58 0.08 -3.43 116.42 116.00 1uph h ASP 121 Ca 0.13 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1uph h ASP 121 Cb 0.38 0.47 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1uph h ASP 121 CO -0.81 -0.26 0.00 0.41 -2.88 0.00 0.00 179.24 175.70 1uph n THR 122 N -5.48 0.00 0.00 2.25 -1.04 0.26 -3.76 114.28 106.51 1uph n THR 122 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1uph n THR 122 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1uph n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uph n GLY 123 N 0.00 -0.11 3.67 3.41 0.00 -1.26 -5.00 105.19 105.90 1uph n GLY 123 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 5.15 -0.11 1.61 0.01 -1.25 -5.01 114.94 115.34 1uph s ASN 124 Ca 0.00 0.12 -0.10 0.00 -0.71 0.00 0.00 52.86 52.17 1uph s ASN 124 Cb 0.00 -1.42 -0.05 0.00 0.41 0.00 0.00 41.25 40.18 1uph s ASN 124 CO 0.00 0.37 -0.21 -3.20 -1.51 0.00 0.00 177.10 172.55 1uph n ASN 125 N 2.11 1.40 -1.29 -1.22 2.85 -1.26 -5.13 115.26 112.74 1uph n ASN 125 Ca -0.18 0.23 0.16 0.00 -0.11 0.00 0.00 54.58 54.68 1uph n ASN 125 Cb 0.53 -0.54 -0.06 0.00 1.24 0.00 0.00 39.78 40.95 1uph n ASN 125 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1uph n SER 126 N -3.92 -7.64 0.14 1.20 7.64 -1.26 -5.01 113.62 104.78 1uph n SER 126 Ca -0.19 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1uph n SER 126 Cb 0.50 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1uph n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uph n GLN 127 N -4.11 0.00 -2.48 1.43 6.02 -1.26 -5.13 117.38 111.84 1uph n GLN 127 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.91 1uph n GLN 127 Cb 0.60 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.83 1uph n GLN 127 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1uph n VAL 128 N -3.42-12.75 -4.33 5.09 0.31 -1.26 -5.07 118.33 96.91 1uph n VAL 128 Ca 0.00 2.81 -0.17 0.00 -0.01 0.00 0.00 64.34 66.97 1uph n VAL 128 Cb 0.00 -6.34 -0.10 0.00 -0.91 0.00 0.00 33.84 26.49 1uph n VAL 128 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1uph s SER 129 N -0.62 1.50 -0.28 4.52 0.01 -1.26 -5.16 113.70 112.41 1uph s SER 129 Ca -0.21 -1.32 -0.27 0.00 1.31 0.00 0.00 55.95 55.46 1uph s SER 129 Cb 0.01 0.09 0.18 0.00 0.21 0.00 0.00 66.02 66.52 1uph s SER 129 CO 0.56 -0.65 1.36 -1.58 0.41 0.00 0.00 173.24 173.35 1uph s GLN 130 N -3.96 0.12 -0.18 12.44 -0.44 -1.26 -5.19 119.66 121.19 1uph s GLN 130 Ca 0.34 0.09 -0.33 0.00 -2.50 0.00 0.00 55.36 52.95 1uph s GLN 130 Cb 0.07 0.06 0.14 0.00 -1.64 0.00 0.00 33.01 31.64 1uph s GLN 130 CO 0.12 -0.02 1.16 1.21 0.50 0.00 0.00 175.29 178.25 1uph s ASN 131 N -0.41 -0.18 0.00 6.67 3.84 -1.26 -5.35 114.94 118.24 1uph s ASN 131 Ca 0.07 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.20 1uph s ASN 131 Cb -0.03 0.18 0.00 0.00 -0.55 0.00 0.00 41.25 40.85 1uph s ASN 131 CO -0.11 -0.27 0.00 0.00 -2.79 0.00 0.00 177.10 173.93