#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3p s ARG 2 N 0.00 1.21 0.02 0.03 0.52 0.11 -4.94 118.95 115.89 1u3p s ARG 2 Ca 0.00 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.21 1u3p s ARG 2 Cb 0.00 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 1u3p s ARG 2 CO 0.00 0.34 -0.02 -1.50 0.02 0.00 0.00 175.30 174.14 1u3p s ILE 3 N -0.98 3.98 0.05 1.52 2.07 -1.26 -0.26 121.20 126.31 1u3p s ILE 3 Ca 0.06 -0.73 -0.00 0.00 -1.41 0.00 0.00 60.65 58.57 1u3p s ILE 3 Cb -0.09 -2.79 -0.03 0.00 0.13 0.00 0.00 42.46 39.68 1u3p s ILE 3 CO 0.03 0.33 -0.03 -0.83 -1.91 0.00 0.00 174.94 172.53 1u3p s GLY 4 N -1.66 0.44 -0.03 1.50 0.00 0.01 -3.92 107.32 103.66 1u3p s GLY 4 Ca 0.20 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 1u3p s GLY 4 CO 0.11 -1.16 0.08 -1.58 0.00 0.00 0.00 173.10 170.55 1u3p s HIS 5 N -3.24 -0.09 0.18 1.90 5.04 -1.25 -1.99 115.29 115.85 1u3p s HIS 5 Ca 0.01 0.21 0.02 0.00 -1.54 0.00 0.00 55.06 53.76 1u3p s HIS 5 Cb 0.03 0.03 -0.05 0.00 0.04 0.00 0.00 32.58 32.63 1u3p s HIS 5 CO -0.07 -0.05 0.01 0.20 -2.34 0.00 0.00 174.74 172.49 1u3p s GLY 6 N 0.00 1.29 -0.26 1.59 0.00 -0.30 -4.17 107.32 105.47 1u3p s GLY 6 Ca -0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 44.72 42.83 1u3p s GLY 6 CO 0.00 -1.54 0.76 -0.12 0.00 0.00 0.00 173.10 172.20 1u3p s PHE 7 N -3.65 -0.73 -0.00 1.90 5.36 -1.26 -2.31 117.98 117.28 1u3p s PHE 7 Ca 0.25 1.75 -0.24 0.00 -0.96 0.00 0.00 56.93 57.74 1u3p s PHE 7 Cb 0.06 0.29 0.05 0.00 -0.34 0.00 0.00 43.02 43.09 1u3p s PHE 7 CO 0.05 -0.37 0.53 0.34 -1.46 0.00 0.00 175.22 174.31 1u3p s ASP 8 N 0.23 -0.46 0.00 6.13 3.68 -0.68 -4.75 116.67 120.83 1u3p s ASP 8 Ca -0.00 0.35 -0.02 0.00 2.13 0.00 0.00 52.55 55.01 1u3p s ASP 8 Cb -0.05 0.47 -0.01 0.00 -1.45 0.00 0.00 42.92 41.88 1u3p s ASP 8 CO 0.01 -0.61 0.02 -0.69 0.13 0.00 0.00 175.17 174.03 1u3p s VAL 9 N -1.72 0.06 -0.06 1.11 1.01 -1.26 -0.45 120.40 119.09 1u3p s VAL 9 Ca -0.09 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1u3p s VAL 9 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.16 1u3p s VAL 9 CO 0.04 -0.29 0.17 -1.00 0.00 0.00 0.00 175.10 174.02 1u3p s HIS 10 N -0.89 -0.18 0.37 5.22 3.76 -0.69 -4.99 115.29 117.88 1u3p s HIS 10 Ca -0.10 0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 55.10 1u3p s HIS 10 Cb -0.06 0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.60 1u3p s HIS 10 CO -0.00 -0.09 0.80 0.00 -0.85 0.00 0.00 174.74 174.59 1u3p s ALA 11 N 0.06 3.26 0.45 -1.40 0.00 -1.26 -1.44 121.76 121.41 1u3p s ALA 11 Ca -0.00 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 1u3p s ALA 11 Cb -0.01 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 1u3p s ALA 11 CO 0.00 0.21 1.01 -0.06 0.00 0.00 0.00 175.76 176.92 1u3p s PHE 12 N -2.12 3.16 -0.30 0.00 0.08 -0.78 0.32 117.98 118.35 1u3p s PHE 12 Ca 0.55 1.61 -0.27 0.00 0.12 0.00 0.00 56.93 58.95 1u3p s PHE 12 Cb -0.10 -3.01 0.20 0.00 -0.57 0.00 0.00 43.02 39.54 1u3p s PHE 12 CO 0.20 -0.54 1.44 0.20 -0.10 0.00 0.00 175.22 176.41 1u3p s GLY 13 N -1.95 0.29 0.00 4.36 0.00 0.86 -4.62 107.32 106.26 1u3p s GLY 13 Ca 0.63 3.32 0.00 0.00 0.00 0.00 0.00 44.72 48.67 1u3p s GLY 13 CO 0.19 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.51 1u3p n GLY 14 N 1.11 -1.31 3.92 0.20 0.00 -1.26 -2.52 105.19 105.32 1u3p n GLY 14 Ca -0.06 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1u3p n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3p s GLU 15 N 0.00 3.57 0.31 1.61 0.41 -1.26 -2.28 118.70 121.06 1u3p s GLU 15 Ca 0.00 -0.17 -0.05 0.00 -0.41 0.00 0.00 54.97 54.34 1u3p s GLU 15 Cb 0.00 -2.73 0.07 0.00 -1.78 0.00 0.00 34.13 29.70 1u3p s GLU 15 CO 0.00 0.28 0.35 0.41 -0.49 0.00 0.00 175.26 175.81 1u3p n GLY 16 N -0.90 -1.80 3.47 -1.39 0.00 -0.42 -3.21 105.19 100.94 1u3p n GLY 16 Ca -0.03 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 1u3p n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u3p n PRO 17 N -2.09 -1.42 -3.83 1.61 -0.04 -1.26 -4.86 135.00 123.12 1u3p n PRO 17 Ca 0.05 -1.84 -0.22 0.00 -0.04 0.00 0.00 63.50 61.45 1u3p n PRO 17 Cb 0.17 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 1u3p n PRO 17 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u3p s ILE 18 N -3.54 2.68 -0.22 0.52 -4.36 0.67 -4.68 121.20 112.26 1u3p s ILE 18 Ca 0.68 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 1u3p s ILE 18 Cb -0.02 -3.01 0.06 0.00 1.25 0.00 0.00 42.46 40.73 1u3p s ILE 18 CO 0.48 -0.04 -0.06 -0.63 0.24 0.00 0.00 174.94 174.93 1u3p s ILE 19 N -2.49 1.53 -0.13 8.37 -1.09 -1.26 -0.27 121.20 125.86 1u3p s ILE 19 Ca 0.44 -1.15 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1u3p s ILE 19 Cb -0.01 -1.75 0.03 0.00 -1.58 0.00 0.00 42.46 39.14 1u3p s ILE 19 CO 0.25 -0.04 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.21 1u3p s ILE 20 N 1.41 1.15 -1.04 2.92 -1.09 -0.36 -3.94 121.20 120.25 1u3p s ILE 20 Ca -0.05 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1u3p s ILE 20 Cb -0.18 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 1u3p s ILE 20 CO -0.07 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1u3p n GLY 21 N 4.90 0.62 2.06 6.18 0.00 -1.26 -2.23 105.19 115.46 1u3p n GLY 21 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1u3p n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3p n GLY 22 N -1.37 2.86 3.78 -0.02 0.00 -1.26 -4.46 105.19 104.72 1u3p n GLY 22 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1u3p n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3p s VAL 23 N -2.06 4.74 -0.62 1.61 1.01 -0.94 -5.01 120.40 119.13 1u3p s VAL 23 Ca 0.00 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 1u3p s VAL 23 Cb 0.00 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1u3p s VAL 23 CO 0.00 0.47 1.02 -0.60 0.00 0.00 0.00 175.10 175.99 1u3p s ARG 24 N -0.60 3.26 -0.23 2.72 3.52 -1.26 -1.22 118.95 125.13 1u3p s ARG 24 Ca 0.32 -0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 55.43 1u3p s ARG 24 Cb -0.20 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.02 1u3p s ARG 24 CO 0.20 -1.71 0.14 0.42 -0.81 0.00 0.00 175.30 173.55 1u3p s ILE 25 N 4.35 5.28 0.13 4.11 1.01 0.63 -4.92 121.20 131.79 1u3p s ILE 25 Ca 0.30 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.78 1u3p s ILE 25 Cb -0.13 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 1u3p s ILE 25 CO 0.16 0.37 1.42 -2.16 0.00 0.00 0.00 174.94 174.73 1u3p s PRO 26 N 0.94 4.30 0.06 2.79 0.04 -1.26 -0.24 135.00 141.63 1u3p s PRO 26 Ca 0.07 2.13 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 1u3p s PRO 26 Cb -0.13 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1u3p s PRO 26 CO 0.03 -0.46 0.44 -0.47 0.04 0.00 0.00 177.00 176.59 1u3p s TYR 27 N 1.02 -0.31 0.07 0.56 5.04 -1.26 -4.88 117.35 117.59 1u3p s TYR 27 Ca 0.65 0.26 -0.32 0.00 -2.44 0.00 0.00 57.07 55.22 1u3p s TYR 27 Cb -0.38 0.26 -0.16 0.00 0.35 0.00 0.00 41.96 42.03 1u3p s TYR 27 CO 0.31 -0.61 1.48 0.93 -1.34 0.00 0.00 175.55 176.33 1u3p h GLU 28 N 2.86 -0.94 -6.58 4.97 5.08 -1.96 -3.16 114.58 114.85 1u3p h GLU 28 Ca -0.31 0.06 -0.45 0.00 -1.00 0.00 0.00 59.36 57.66 1u3p h GLU 28 Cb 1.21 0.21 0.02 0.00 0.50 0.00 0.00 28.75 30.70 1u3p h GLU 28 CO 0.43 -0.63 -0.18 -1.59 -1.00 0.00 0.00 179.01 176.05 1u3p s LYS 29 N -5.49 3.01 0.00 2.33 -2.85 -1.26 -1.30 119.74 114.19 1u3p s LYS 29 Ca -0.16 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1u3p s LYS 29 Cb 0.03 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 1u3p s LYS 29 CO 0.52 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.17 1u3p n GLY 30 N -1.95 5.00 3.18 0.59 0.00 -0.97 -3.54 105.19 107.50 1u3p n GLY 30 Ca 0.02 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1u3p n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3p s LEU 31 N 0.00 1.98 -0.02 0.99 1.43 -1.23 -0.10 118.68 121.74 1u3p s LEU 31 Ca 0.00 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1u3p s LEU 31 Cb 0.00 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1u3p s LEU 31 CO 0.00 0.14 1.06 -0.76 0.23 0.00 0.00 176.35 177.02 1u3p s LEU 32 N 0.36 4.33 -0.11 1.79 1.43 0.15 -4.78 118.68 121.85 1u3p s LEU 32 Ca -0.16 1.73 -0.33 0.00 -1.03 0.00 0.00 54.13 54.34 1u3p s LEU 32 Cb -0.17 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.61 1u3p s LEU 32 CO 0.07 -0.39 1.17 0.00 0.23 0.00 0.00 176.35 177.43 1u3p s ALA 33 N 1.40 -2.05 0.11 4.21 0.00 -1.26 -4.25 121.76 119.92 1u3p s ALA 33 Ca 0.53 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 1u3p s ALA 33 Cb -0.23 0.09 -0.14 0.00 0.00 0.00 0.00 23.12 22.85 1u3p s ALA 33 CO 0.25 -0.72 1.31 1.25 0.00 0.00 0.00 175.76 177.85 1u3p h HIS 34 N 2.00 1.00 -0.77 0.00 2.76 -1.95 -3.45 115.15 114.74 1u3p h HIS 34 Ca -0.16 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 57.56 1u3p h HIS 34 Cb 1.19 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1u3p h HIS 34 CO 0.29 1.28 0.00 -1.13 -1.30 0.00 0.00 177.93 177.07 1u3p n SER 35 N -3.91 0.00 -0.11 3.26 3.41 -1.26 0.17 113.62 115.18 1u3p n SER 35 Ca -0.07 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1u3p n SER 35 Cb 0.76 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.49 1u3p n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u3p n ASP 36 N 0.00 0.35 -1.63 4.04 3.85 -0.41 -4.23 116.55 118.53 1u3p n ASP 36 Ca 0.00 -1.19 -0.17 0.00 -0.71 0.00 0.00 54.79 52.72 1u3p n ASP 36 Cb 0.00 -0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 39.72 1u3p n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u3p n GLY 37 N 1.00 0.68 3.57 6.12 0.00 -1.26 -4.66 105.19 110.64 1u3p n GLY 37 Ca 0.21 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1u3p n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u3p s ASP 38 N -2.52 5.07 0.25 1.61 -1.08 -1.25 -4.82 116.67 113.91 1u3p s ASP 38 Ca 0.00 -0.94 -0.04 0.00 -0.52 0.00 0.00 52.55 51.06 1u3p s ASP 38 Cb 0.00 -2.57 0.49 0.00 -1.46 0.00 0.00 42.92 39.38 1u3p s ASP 38 CO 0.00 -2.88 1.70 0.58 0.52 0.00 0.00 175.17 175.08 1u3p h VAL 39 N 6.97 0.55 -0.20 1.11 2.07 -1.91 -2.20 116.25 122.64 1u3p h VAL 39 Ca 0.13 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1u3p h VAL 39 Cb 0.99 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1u3p h VAL 39 CO 1.21 0.06 -0.08 0.00 0.02 0.00 0.00 177.57 178.78 1u3p h ALA 40 N 1.60 0.10 0.00 1.67 0.00 -1.88 -2.10 119.26 118.65 1u3p h ALA 40 Ca 0.43 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1u3p h ALA 40 Cb 0.72 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1u3p h ALA 40 CO -0.48 -0.50 -0.58 -0.07 0.00 0.00 0.00 179.25 177.62 1u3p h LEU 41 N -0.04 0.00 -0.30 0.00 3.38 -1.84 -2.02 115.31 114.48 1u3p h LEU 41 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1u3p h LEU 41 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u3p h LEU 41 CO -0.23 0.58 0.03 0.45 0.09 0.00 0.00 178.44 179.36 1u3p h HIS 42 N 0.00 0.56 -0.39 1.13 3.86 -1.05 0.26 115.15 119.52 1u3p h HIS 42 Ca -0.01 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1u3p h HIS 42 Cb 1.14 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1u3p h HIS 42 CO 0.00 0.63 0.22 0.00 0.86 0.00 0.00 177.93 179.64 1u3p h ALA 43 N 0.86 0.50 -0.42 2.45 0.00 -1.31 -0.86 119.26 120.47 1u3p h ALA 43 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u3p h ALA 43 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1u3p h ALA 43 CO 0.01 0.01 0.25 1.25 0.00 0.00 0.00 179.25 180.78 1u3p h LEU 44 N 0.50 0.42 0.08 0.00 5.85 -1.12 -1.52 115.31 119.53 1u3p h LEU 44 Ca 0.14 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1u3p h LEU 44 Cb 0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1u3p h LEU 44 CO -0.02 0.30 -0.34 0.74 -0.34 0.00 0.00 178.44 178.77 1u3p h THR 45 N 0.51 0.27 -0.47 1.05 2.02 0.11 -1.36 112.91 115.05 1u3p h THR 45 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.41 1u3p h THR 45 Cb -0.00 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1u3p h THR 45 CO -0.07 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.57 1u3p h ASP 46 N -0.55 0.32 -0.61 4.18 3.45 -0.90 0.35 116.42 122.66 1u3p h ASP 46 Ca 0.04 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 1u3p h ASP 46 Cb 0.60 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1u3p h ASP 46 CO -0.22 0.21 0.06 0.00 -1.57 0.00 0.00 179.24 177.72 1u3p h ALA 47 N 1.75 0.82 0.13 3.45 0.00 -0.23 0.48 119.26 125.65 1u3p h ALA 47 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u3p h ALA 47 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u3p h ALA 47 CO -0.05 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.67 1u3p h LEU 48 N 0.94 -0.15 -0.79 0.00 3.38 -0.35 -1.51 115.31 116.84 1u3p h LEU 48 Ca 0.18 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1u3p h LEU 48 Cb 0.48 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1u3p h LEU 48 CO 0.02 0.34 0.45 -0.07 0.09 0.00 0.00 178.44 179.27 1u3p h LEU 49 N -0.69 0.66 -0.07 1.67 3.38 -0.96 -1.15 115.31 118.14 1u3p h LEU 49 Ca -0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1u3p h LEU 49 Cb 0.51 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1u3p h LEU 49 CO 0.03 0.39 -0.09 1.23 0.09 0.00 0.00 178.44 180.09 1u3p h GLY 50 N 0.78 -0.03 1.53 0.83 0.00 0.04 0.82 103.07 107.04 1u3p h GLY 50 Ca 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 1u3p h GLY 50 CO -0.22 -0.10 0.12 0.00 0.00 0.00 0.00 176.54 176.34 1u3p h ALA 51 N 0.93 1.44 -0.00 3.60 0.00 -0.66 -1.08 119.26 123.49 1u3p h ALA 51 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u3p h ALA 51 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u3p h ALA 51 CO -0.14 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1u3p n ALA 52 N -2.47 2.67 -3.42 0.00 0.00 -0.49 -4.69 120.51 112.11 1u3p n ALA 52 Ca 0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 1u3p n ALA 52 Cb 0.18 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.22 1u3p n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3p n ALA 53 N -0.85 -1.19 -0.49 0.00 0.00 -0.41 -4.89 120.51 112.68 1u3p n ALA 53 Ca 0.23 0.35 0.09 0.00 0.00 0.00 0.00 53.44 54.11 1u3p n ALA 53 Cb 0.14 -4.88 0.28 0.00 0.00 0.00 0.00 19.45 14.98 1u3p n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u3p n LEU 54 N -4.65 3.94 0.00 0.00 4.77 0.16 -5.02 117.00 116.20 1u3p n LEU 54 Ca -0.03 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1u3p n LEU 54 Cb 0.58 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1u3p n LEU 54 CO 0.60 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1u3p n GLY 55 N 0.83 1.22 3.55 -0.72 0.00 -1.25 -4.92 105.19 103.89 1u3p n GLY 55 Ca 0.21 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1u3p n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1u3p s ASP 56 N -4.00 -0.07 0.41 1.61 1.47 -1.26 -3.90 116.67 110.93 1u3p s ASP 56 Ca 0.00 -0.97 0.14 0.00 1.18 0.00 0.00 52.55 52.91 1u3p s ASP 56 Cb 0.00 0.57 0.88 0.00 -0.34 0.00 0.00 42.92 44.02 1u3p s ASP 56 CO 0.00 -1.11 1.91 -0.29 0.68 0.00 0.00 175.17 176.36 1u3p h ILE 57 N 2.29 1.17 0.00 2.11 2.10 -1.92 -2.17 117.51 121.09 1u3p h ILE 57 Ca -0.27 -0.97 0.00 0.00 1.08 0.00 0.00 64.86 64.70 1u3p h ILE 57 Cb 1.25 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 38.51 1u3p h ILE 57 CO 0.37 0.27 0.00 0.61 -1.08 0.00 0.00 178.15 178.32 1u3p n GLY 58 N -0.70 -1.24 0.11 8.18 0.00 -1.26 0.35 105.19 110.63 1u3p n GLY 58 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1u3p n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u3p n LYS 59 N -1.45 0.71 0.08 1.61 4.81 -0.91 -4.15 118.16 118.85 1u3p n LYS 59 Ca 0.07 0.04 -0.17 0.00 -0.87 0.00 0.00 58.31 57.39 1u3p n LYS 59 Cb 0.25 -1.51 -0.14 0.00 0.02 0.00 0.00 35.03 33.65 1u3p n LYS 59 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1u3p h LEU 60 N 0.00 0.41 -6.49 3.14 4.07 -0.90 -3.42 115.31 112.12 1u3p h LEU 60 Ca -0.55 -0.51 -0.59 0.00 0.08 0.00 0.00 57.88 56.31 1u3p h LEU 60 Cb 2.11 -0.13 -0.39 0.00 1.08 0.00 0.00 40.66 43.33 1u3p h LEU 60 CO -0.01 1.41 -0.91 -0.36 -1.08 0.00 0.00 178.44 177.49 1u3p s PHE 61 N -2.63 1.31 0.54 1.13 0.08 0.15 -5.08 117.98 113.48 1u3p s PHE 61 Ca -0.07 -2.33 -0.22 0.00 0.12 0.00 0.00 56.93 54.43 1u3p s PHE 61 Cb 0.07 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1u3p s PHE 61 CO 0.87 -0.80 1.35 -2.14 -0.10 0.00 0.00 175.22 174.40 1u3p s PRO 62 N 0.07 3.18 0.32 0.24 0.02 -1.26 -4.56 135.00 133.02 1u3p s PRO 62 Ca 0.29 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1u3p s PRO 62 Cb -0.02 -2.27 0.54 0.00 0.02 0.00 0.00 34.50 32.77 1u3p s PRO 62 CO -0.16 -1.15 1.91 -0.44 -0.33 0.00 0.00 177.00 176.83 1u3p h ASP 63 N 1.50 0.68 -0.43 2.53 5.19 -1.95 -2.24 116.42 121.70 1u3p h ASP 63 Ca -0.51 -0.08 0.05 0.00 -0.62 0.00 0.00 57.03 55.87 1u3p h ASP 63 Cb 1.30 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.58 1u3p h ASP 63 CO 0.57 0.62 0.16 0.71 -3.12 0.00 0.00 179.24 178.18 1u3p h THR 64 N 0.74 0.87 -2.78 0.35 1.35 -1.97 -3.40 112.91 108.07 1u3p h THR 64 Ca 0.18 -0.11 -0.57 0.00 -0.55 0.00 0.00 66.41 65.36 1u3p h THR 64 Cb 0.16 0.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 1u3p h THR 64 CO -0.02 0.06 1.19 -0.62 -0.25 0.00 0.00 175.52 175.88 1u3p s ASP 65 N -5.38 6.16 0.00 5.36 -1.08 -0.84 -4.84 116.67 116.04 1u3p s ASP 65 Ca -0.13 1.40 0.14 0.00 -0.52 0.00 0.00 52.55 53.44 1u3p s ASP 65 Cb 0.13 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.79 1u3p s ASP 65 CO 0.72 -1.47 1.35 -0.81 0.52 0.00 0.00 175.17 175.48 1u3p n PRO 66 N 8.05 0.24 0.19 4.34 -0.04 -1.26 -2.02 135.00 144.50 1u3p n PRO 66 Ca 0.20 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1u3p n PRO 66 Cb 0.46 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.74 1u3p n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u3p h ALA 67 N 2.70 0.94 -0.01 0.55 0.00 -1.92 -2.97 119.26 118.55 1u3p h ALA 67 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1u3p h ALA 67 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1u3p h ALA 67 CO 0.00 0.43 -0.10 1.19 0.00 0.00 0.00 179.25 180.76 1u3p n PHE 68 N -3.42 0.00 -1.98 0.00 0.99 -0.86 -4.77 117.46 107.43 1u3p n PHE 68 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1u3p n PHE 68 Cb 0.53 -0.06 -0.03 0.00 -1.00 0.00 0.00 39.48 38.92 1u3p n PHE 68 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1u3p s LYS 69 N -2.22 4.23 0.00 -1.08 2.20 -1.12 -1.29 119.74 120.45 1u3p s LYS 69 Ca 0.33 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1u3p s LYS 69 Cb 0.20 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1u3p s LYS 69 CO 0.42 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1u3p n GLY 70 N 3.68 0.57 3.61 5.54 0.00 0.45 -4.91 105.19 114.13 1u3p n GLY 70 Ca 0.13 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 1u3p n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3p n ALA 71 N 1.00 -0.03 -2.46 4.61 0.00 -0.41 -4.18 120.51 119.04 1u3p n ALA 71 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 1u3p n ALA 71 Cb 0.05 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1u3p n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u3p s ASP 72 N 0.10 6.77 0.64 0.00 -1.08 -1.26 -1.29 116.67 120.55 1u3p s ASP 72 Ca 0.71 1.28 0.37 0.00 -0.52 0.00 0.00 52.55 54.40 1u3p s ASP 72 Cb -0.77 -2.54 2.08 0.00 -1.46 0.00 0.00 42.92 40.23 1u3p s ASP 72 CO 0.51 -0.98 2.24 0.28 0.52 0.00 0.00 175.17 177.75 1u3p h SER 73 N 8.86 0.00 0.41 -0.34 0.02 -1.96 0.79 113.55 121.34 1u3p h SER 73 Ca -0.25 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1u3p h SER 73 Cb 1.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1u3p h SER 73 CO 1.02 0.00 -0.59 0.03 -1.14 0.00 0.00 176.83 176.15 1u3p h ARG 74 N 0.00 0.18 -0.48 3.45 3.08 -1.97 0.32 114.38 118.96 1u3p h ARG 74 Ca 0.01 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1u3p h ARG 74 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1u3p h ARG 74 CO -0.00 0.72 0.03 1.49 -1.07 0.00 0.00 179.97 181.14 1u3p h GLU 75 N 0.14 0.84 -0.40 0.04 4.81 -1.24 -0.77 114.58 117.99 1u3p h GLU 75 Ca -0.00 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 1u3p h GLU 75 Cb 1.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1u3p h GLU 75 CO 0.09 0.86 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.90 1u3p h LEU 76 N 0.70 0.86 -0.34 1.64 3.38 -1.16 -2.63 115.31 117.75 1u3p h LEU 76 Ca 0.14 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1u3p h LEU 76 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1u3p h LEU 76 CO 0.02 1.07 0.22 0.25 0.09 0.00 0.00 178.44 180.10 1u3p h LEU 77 N 0.72 0.40 -0.98 1.67 5.85 -0.09 -2.14 115.31 120.74 1u3p h LEU 77 Ca 0.09 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1u3p h LEU 77 Cb 0.80 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1u3p h LEU 77 CO 0.07 0.30 0.31 0.03 -0.34 0.00 0.00 178.44 178.81 1u3p h ARG 78 N 0.46 1.04 0.18 1.25 3.08 -1.02 -0.82 114.38 118.54 1u3p h ARG 78 Ca 0.13 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1u3p h ARG 78 Cb -0.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1u3p h ARG 78 CO -0.03 0.83 -0.08 1.49 -1.07 0.00 0.00 179.97 181.11 1u3p h GLU 79 N 1.03 -0.23 -0.73 0.04 4.57 -1.26 0.40 114.58 118.41 1u3p h GLU 79 Ca 0.25 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.55 1u3p h GLU 79 Cb 0.16 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1u3p h GLU 79 CO -0.03 0.08 0.35 0.00 -1.18 0.00 0.00 179.01 178.23 1u3p h ALA 80 N 0.20 1.02 -0.47 2.92 0.00 -1.34 0.19 119.26 121.78 1u3p h ALA 80 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1u3p h ALA 80 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u3p h ALA 80 CO 0.04 -0.08 0.07 2.35 0.00 0.00 0.00 179.25 181.63 1u3p h TRP 81 N 0.57 0.75 0.45 0.00 -0.00 -0.83 0.30 115.95 117.19 1u3p h TRP 81 Ca 0.37 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 59.17 1u3p h TRP 81 Cb 0.44 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 1u3p h TRP 81 CO -0.12 0.66 -0.22 -0.09 -0.00 0.00 0.00 178.44 178.67 1u3p h ARG 82 N 0.69 -0.59 -0.61 2.65 2.43 0.25 -0.66 114.38 118.55 1u3p h ARG 82 Ca 0.15 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1u3p h ARG 82 Cb 0.32 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1u3p h ARG 82 CO 0.00 -0.39 0.37 0.00 -1.51 0.00 0.00 179.97 178.44 1u3p h ARG 83 N -0.61 0.82 -0.57 0.20 3.08 -0.33 -1.51 114.38 115.47 1u3p h ARG 83 Ca -0.06 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1u3p h ARG 83 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1u3p h ARG 83 CO 0.10 0.57 0.14 0.82 -1.07 0.00 0.00 179.97 180.54 1u3p h ILE 84 N 0.83 1.25 -0.28 2.04 2.04 0.06 -2.30 117.51 121.16 1u3p h ILE 84 Ca 0.22 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 65.08 1u3p h ILE 84 Cb -0.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1u3p h ILE 84 CO -0.04 0.32 -0.34 1.56 0.00 0.00 0.00 178.15 179.66 1u3p h GLN 85 N 0.81 0.60 -0.59 2.37 4.20 -0.59 -2.55 115.11 119.35 1u3p h GLN 85 Ca 0.18 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1u3p h GLN 85 Cb 0.34 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1u3p h GLN 85 CO 0.00 0.86 0.39 0.00 -0.67 0.00 0.00 178.83 179.41 1u3p h ALA 86 N 1.12 1.66 0.00 3.87 0.00 -0.92 0.38 119.26 125.37 1u3p h ALA 86 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u3p h ALA 86 Cb 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u3p h ALA 86 CO 0.07 0.29 0.00 1.17 0.00 0.00 0.00 179.25 180.78 1u3p n LYS 87 N -4.46 0.51 -0.08 0.00 4.81 -0.90 -4.84 118.16 113.20 1u3p n LYS 87 Ca 0.07 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1u3p n LYS 87 Cb 0.11 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1u3p n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u3p n GLY 88 N 0.29 0.92 3.93 3.14 0.00 0.13 -5.09 105.19 108.51 1u3p n GLY 88 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1u3p n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3p s TYR 89 N -2.01 3.50 0.12 1.61 1.51 -1.09 -5.00 117.35 115.98 1u3p s TYR 89 Ca 0.00 0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.57 1u3p s TYR 89 Cb 0.00 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1u3p s TYR 89 CO 0.00 0.14 -0.11 0.95 -1.11 0.00 0.00 175.55 175.41 1u3p s THR 90 N -2.23 1.14 0.11 -0.71 -4.23 -0.78 -4.24 115.64 104.69 1u3p s THR 90 Ca 0.41 -1.80 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 1u3p s THR 90 Cb -0.10 -1.57 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 1u3p s THR 90 CO 0.34 -0.57 1.13 -0.22 -0.54 0.00 0.00 174.62 174.76 1u3p s LEU 91 N -2.68 4.42 -0.10 4.79 2.96 -1.26 -0.26 118.68 126.55 1u3p s LEU 91 Ca 0.10 2.01 -0.07 0.00 -0.22 0.00 0.00 54.13 55.95 1u3p s LEU 91 Cb -0.02 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1u3p s LEU 91 CO 0.01 -0.34 -0.14 0.61 -1.32 0.00 0.00 176.35 175.17 1u3p n GLY 92 N 2.67 -0.77 0.00 7.98 0.00 0.12 -4.72 105.19 110.48 1u3p n GLY 92 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1u3p n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u3p n ASN 93 N -3.82 0.00 -4.09 1.61 0.23 -0.92 -4.92 115.26 103.35 1u3p n ASN 93 Ca -0.05 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.89 1u3p n ASN 93 Cb 0.20 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.80 1u3p n ASN 93 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1u3p s VAL 94 N -2.00 0.48 -0.02 3.53 -7.23 -0.27 -1.41 120.40 113.48 1u3p s VAL 94 Ca 0.00 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1u3p s VAL 94 Cb 0.00 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.94 1u3p s VAL 94 CO 0.00 -0.64 0.00 -0.62 -0.31 0.00 0.00 175.10 173.54 1u3p s ASP 95 N -2.20 0.24 -0.01 4.85 3.68 -0.35 -1.69 116.67 121.19 1u3p s ASP 95 Ca -0.02 -0.01 0.06 0.00 2.13 0.00 0.00 52.55 54.72 1u3p s ASP 95 Cb -0.03 -0.12 -0.02 0.00 -1.45 0.00 0.00 42.92 41.31 1u3p s ASP 95 CO -0.03 -0.07 -0.20 -0.69 0.13 0.00 0.00 175.17 174.31 1u3p s VAL 96 N 0.73 1.55 -0.24 1.11 1.01 -0.14 -0.72 120.40 123.70 1u3p s VAL 96 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1u3p s VAL 96 Cb -0.10 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.05 1u3p s VAL 96 CO -0.02 0.43 -0.03 -0.89 0.00 0.00 0.00 175.10 174.60 1u3p s THR 97 N -0.47 1.35 0.07 3.92 2.01 0.80 -0.18 115.64 123.14 1u3p s THR 97 Ca 0.08 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 1u3p s THR 97 Cb -0.08 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1u3p s THR 97 CO -0.01 -0.17 0.70 -0.63 -0.69 0.00 0.00 174.62 173.82 1u3p s ILE 98 N 1.47 4.68 -0.28 1.82 1.01 -0.21 -0.67 121.20 129.00 1u3p s ILE 98 Ca -0.04 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.15 1u3p s ILE 98 Cb -0.18 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.31 1u3p s ILE 98 CO -0.08 0.45 -0.04 -0.63 0.00 0.00 0.00 174.94 174.64 1u3p s ILE 99 N -0.52 2.02 -0.12 2.92 1.01 -0.13 -0.55 121.20 125.82 1u3p s ILE 99 Ca 0.35 -1.78 -0.21 0.00 0.00 0.00 0.00 60.65 59.00 1u3p s ILE 99 Cb -0.21 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1u3p s ILE 99 CO 0.22 -0.27 0.53 0.00 0.00 0.00 0.00 174.94 175.42 1u3p s ALA 100 N 1.12 -1.34 0.13 9.38 0.00 0.14 -2.15 121.76 129.04 1u3p s ALA 100 Ca -0.01 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.20 1u3p s ALA 100 Cb -0.19 -0.44 -0.15 0.00 0.00 0.00 0.00 23.12 22.34 1u3p s ALA 100 CO -0.07 -0.29 1.29 0.37 0.00 0.00 0.00 175.76 177.06 1u3p h GLN 101 N 4.34 0.08 -1.99 0.00 5.75 -1.82 -3.35 115.11 118.12 1u3p h GLN 101 Ca -0.28 -0.12 0.14 0.00 -0.15 0.00 0.00 58.65 58.23 1u3p h GLN 101 Cb 1.16 0.04 -0.17 0.00 1.07 0.00 0.00 27.48 29.59 1u3p h GLN 101 CO 0.28 1.01 0.57 0.00 -2.65 0.00 0.00 178.83 178.04 1u3p s ALA 102 N -2.84 -1.90 1.14 3.38 0.00 -1.26 -4.86 121.76 115.43 1u3p s ALA 102 Ca -0.01 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1u3p s ALA 102 Cb 0.10 0.11 0.27 0.00 0.00 0.00 0.00 23.12 23.60 1u3p s ALA 102 CO 0.83 -0.61 1.19 -1.25 0.00 0.00 0.00 175.76 175.93 1u3p s PRO 103 N -2.65 -0.76 -0.25 0.00 0.04 -1.26 -5.02 135.00 125.10 1u3p s PRO 103 Ca 0.05 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 60.53 1u3p s PRO 103 Cb -0.01 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 1u3p s PRO 103 CO -0.06 -3.37 1.27 0.15 0.04 0.00 0.00 177.00 175.02 1u3p s LYS 104 N -5.64 4.05 0.02 4.56 1.02 -1.26 -4.89 119.74 117.60 1u3p s LYS 104 Ca 0.73 1.39 -0.06 0.00 0.02 0.00 0.00 55.97 58.05 1u3p s LYS 104 Cb -0.06 -3.82 -0.29 0.00 -0.52 0.00 0.00 37.83 33.13 1u3p s LYS 104 CO 0.55 -0.95 0.94 0.52 -0.92 0.00 0.00 175.35 175.50 1u3p h MET 105 N 8.78 0.32 -0.72 1.68 2.86 -1.97 -3.40 114.93 122.48 1u3p h MET 105 Ca -0.26 -0.54 0.11 0.00 -2.06 0.00 0.00 59.70 56.95 1u3p h MET 105 Cb 1.10 0.20 -0.11 0.00 0.06 0.00 0.00 31.60 32.84 1u3p h MET 105 CO 1.01 1.22 -0.29 -0.11 1.06 0.00 0.00 176.91 179.79 1u3p n LEU 106 N -3.53 -0.49 0.29 1.22 7.94 -1.26 0.34 117.00 121.51 1u3p n LEU 106 Ca -0.15 1.26 0.17 0.00 -1.11 0.00 0.00 56.01 56.18 1u3p n LEU 106 Cb 1.05 -0.28 0.90 0.00 0.53 0.00 0.00 43.42 45.63 1u3p n LEU 106 CO 0.53 -1.12 1.07 1.55 -1.11 0.00 0.00 177.39 178.31 1u3p h PRO 107 N 0.00 0.00 0.00 1.96 0.13 -2.02 -2.79 132.00 129.28 1u3p h PRO 107 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1u3p h PRO 107 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1u3p h PRO 107 CO -0.71 0.04 -0.76 0.45 -0.23 0.00 0.00 178.00 176.79 1u3p h HIS 108 N 0.00 0.00 -0.80 1.56 3.86 -0.38 -3.40 115.15 115.99 1u3p h HIS 108 Ca -0.00 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1u3p h HIS 108 Cb 0.22 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.59 1u3p h HIS 108 CO 0.00 0.00 0.35 0.82 0.86 0.00 0.00 177.93 179.96 1u3p h ILE 109 N 0.00 0.64 -0.27 2.45 5.03 -1.25 -2.11 117.51 122.00 1u3p h ILE 109 Ca 0.00 -0.16 0.05 0.00 -0.12 0.00 0.00 64.86 64.62 1u3p h ILE 109 Cb 0.77 0.12 -0.04 0.00 -3.03 0.00 0.00 36.82 34.63 1u3p h ILE 109 CO 0.00 0.09 0.00 -0.65 -0.68 0.00 0.00 178.15 176.91 1u3p h PRO 110 N 0.48 0.08 -0.73 2.37 0.11 -1.80 0.20 132.00 132.71 1u3p h PRO 110 Ca 0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 1u3p h PRO 110 Cb 0.70 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1u3p h PRO 110 CO -0.42 0.06 0.41 0.37 -0.21 0.00 0.00 178.00 178.21 1u3p h GLN 111 N 0.09 1.00 -0.42 1.05 5.75 -1.76 0.21 115.11 121.03 1u3p h GLN 111 Ca 0.13 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1u3p h GLN 111 Cb 0.17 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1u3p h GLN 111 CO -0.22 0.72 0.23 0.52 -2.65 0.00 0.00 178.83 177.43 1u3p h MET 112 N 1.01 0.59 -0.04 1.69 2.86 -0.57 -0.94 114.93 119.53 1u3p h MET 112 Ca 0.26 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1u3p h MET 112 Cb 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1u3p h MET 112 CO -0.04 0.48 -0.14 0.00 1.06 0.00 0.00 176.91 178.26 1u3p h ARG 113 N 0.55 0.06 0.02 1.72 3.08 0.53 -0.82 114.38 119.52 1u3p h ARG 113 Ca 0.15 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1u3p h ARG 113 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1u3p h ARG 113 CO -0.02 0.21 -0.01 0.28 -1.07 0.00 0.00 179.97 179.35 1u3p h VAL 114 N 0.06 1.29 0.07 2.04 2.07 -0.24 -1.73 116.25 119.80 1u3p h VAL 114 Ca 0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1u3p h VAL 114 Cb 0.29 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1u3p h VAL 114 CO 0.02 0.25 -0.07 -0.26 0.02 0.00 0.00 177.57 177.53 1u3p h PHE 115 N -0.46 -0.18 -0.36 1.57 0.05 -0.80 -1.34 116.94 115.42 1u3p h PHE 115 Ca -0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 1u3p h PHE 115 Cb 0.44 0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.44 1u3p h PHE 115 CO 0.07 -0.11 0.19 0.82 -0.18 0.00 0.00 178.31 179.10 1u3p h ILE 116 N -0.16 1.15 -0.92 -0.55 2.04 -1.24 0.34 117.51 118.17 1u3p h ILE 116 Ca 0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1u3p h ILE 116 Cb 0.15 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1u3p h ILE 116 CO -0.02 0.15 0.55 0.00 0.00 0.00 0.00 178.15 178.83 1u3p h ALA 117 N 1.05 1.24 0.63 1.87 0.00 -1.22 0.12 119.26 122.95 1u3p h ALA 117 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1u3p h ALA 117 Cb 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1u3p h ALA 117 CO -0.02 0.65 -0.30 0.93 0.00 0.00 0.00 179.25 180.51 1u3p h GLU 118 N 1.26 -0.81 -0.99 0.00 5.08 -0.95 0.13 114.58 118.31 1u3p h GLU 118 Ca 0.33 0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.99 1u3p h GLU 118 Cb -0.05 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1u3p h GLU 118 CO -0.06 -0.49 0.65 -0.44 -1.00 0.00 0.00 179.01 177.66 1u3p h ASP 119 N -1.02 0.42 0.15 1.42 3.45 -0.52 0.20 116.42 120.52 1u3p h ASP 119 Ca -0.09 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1u3p h ASP 119 Cb 0.69 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1u3p h ASP 119 CO 0.14 0.12 -0.52 0.18 -1.57 0.00 0.00 179.24 177.59 1u3p n LEU 120 N -4.56 1.25 -3.49 1.55 4.77 -0.01 -4.71 117.00 111.79 1u3p n LEU 120 Ca 0.23 -0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 1u3p n LEU 120 Cb 0.81 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.90 1u3p n LEU 120 CO 0.28 0.25 0.16 0.61 -1.33 0.00 0.00 177.39 177.37 1u3p n GLY 121 N 1.43 -0.43 3.53 -0.72 0.00 0.69 -4.95 105.19 104.73 1u3p n GLY 121 Ca 0.08 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1u3p n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3p s HIS 123 N -3.17 3.37 0.48 0.00 5.65 -1.26 -4.57 115.29 115.79 1u3p s HIS 123 Ca 0.28 1.40 0.21 0.00 0.25 0.00 0.00 55.06 57.20 1u3p s HIS 123 Cb 0.06 -2.70 1.24 0.00 -1.18 0.00 0.00 32.58 30.00 1u3p s HIS 123 CO 0.14 -0.08 1.95 0.52 -0.65 0.00 0.00 174.74 176.62 1u3p h MET 124 N 1.82 0.19 0.00 2.88 0.00 -1.91 0.11 114.93 118.03 1u3p h MET 124 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1u3p h MET 124 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.74 1u3p h MET 124 CO 0.63 0.13 0.00 -3.47 0.00 0.00 0.00 176.91 174.19 1u3p n ASP 125 N -4.42 0.30 -0.92 1.22 2.03 -1.26 -0.21 116.55 113.29 1u3p n ASP 125 Ca 0.13 0.62 0.12 0.00 0.52 0.00 0.00 54.79 56.18 1u3p n ASP 125 Cb 0.61 -0.66 0.25 0.00 -0.72 0.00 0.00 41.12 40.60 1u3p n ASP 125 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1u3p n ASP 126 N -1.88 2.79 -4.08 1.67 10.43 0.39 -4.84 116.55 121.03 1u3p n ASP 126 Ca 0.00 -1.89 -0.30 0.00 2.57 0.00 0.00 54.79 55.17 1u3p n ASP 126 Cb 0.08 -0.13 -0.17 0.00 1.84 0.00 0.00 41.12 42.74 1u3p n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1u3p s VAL 127 N -1.75 1.69 -0.02 2.53 1.01 0.70 -1.12 120.40 123.44 1u3p s VAL 127 Ca 0.34 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1u3p s VAL 127 Cb 0.21 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1u3p s VAL 127 CO 0.30 0.48 -0.15 0.21 0.00 0.00 0.00 175.10 175.94 1u3p s ASN 128 N 1.08 1.83 -0.02 3.32 2.47 -0.68 -4.94 114.94 118.00 1u3p s ASN 128 Ca -0.03 -0.29 0.02 0.00 0.42 0.00 0.00 52.86 52.98 1u3p s ASN 128 Cb -0.14 -0.32 0.00 0.00 -1.45 0.00 0.00 41.25 39.34 1u3p s ASN 128 CO -0.05 0.16 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.74 1u3p s VAL 129 N -0.19 0.60 0.25 -5.21 1.01 -1.26 -0.97 120.40 114.64 1u3p s VAL 129 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1u3p s VAL 129 Cb -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1u3p s VAL 129 CO 0.00 0.19 0.19 -1.59 0.00 0.00 0.00 175.10 173.89 1u3p s LYS 130 N 0.08 1.42 0.03 2.72 -2.85 0.75 -4.93 119.74 116.95 1u3p s LYS 130 Ca -0.01 -1.78 -0.02 0.00 -1.00 0.00 0.00 55.97 53.17 1u3p s LYS 130 Cb -0.06 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 1u3p s LYS 130 CO -0.00 -0.50 0.01 0.00 0.10 0.00 0.00 175.35 174.96 1u3p s ALA 131 N -3.87 0.12 0.09 0.59 0.00 -1.26 -1.05 121.76 116.37 1u3p s ALA 131 Ca 0.39 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1u3p s ALA 131 Cb 0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1u3p s ALA 131 CO 0.18 -0.24 0.34 -0.08 0.00 0.00 0.00 175.76 175.97 1u3p s THR 132 N -2.16 0.08 0.20 0.00 -1.32 0.28 -4.92 115.64 107.81 1u3p s THR 132 Ca -0.09 -0.69 0.08 0.00 -1.21 0.00 0.00 61.69 59.78 1u3p s THR 132 Cb -0.05 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 1u3p s THR 132 CO -0.03 -0.38 0.02 -0.89 -2.21 0.00 0.00 174.62 171.13 1u3p s THR 133 N -3.34 3.77 -0.31 5.08 2.01 -1.26 -0.68 115.64 120.91 1u3p s THR 133 Ca 0.00 -1.51 0.10 0.00 0.31 0.00 0.00 61.69 60.60 1u3p s THR 133 Cb 0.01 -2.94 0.76 0.00 0.01 0.00 0.00 72.50 70.34 1u3p s THR 133 CO -0.08 -0.19 1.80 0.35 -0.69 0.00 0.00 174.62 175.81 1u3p n THR 134 N -0.40 2.92 -4.01 -0.82 -2.24 -1.26 -4.94 114.28 103.53 1u3p n THR 134 Ca -0.09 -1.63 -0.31 0.00 -2.27 0.00 0.00 64.05 59.75 1u3p n THR 134 Cb 0.56 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1u3p n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u3p n GLU 135 N -0.07 -1.92 0.00 -0.78 -0.58 -1.26 -0.76 120.64 115.27 1u3p n GLU 135 Ca 0.39 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1u3p n GLU 135 Cb 1.37 -3.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.31 1u3p n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u3p n LYS 136 N -4.51 0.00 -2.61 3.49 4.76 -1.26 -4.98 118.16 113.04 1u3p n LYS 136 Ca -0.25 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.80 1u3p n LYS 136 Cb 0.66 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 31.52 1u3p n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u3p s LEU 137 N 0.00 4.46 0.00 -0.35 1.43 0.06 -3.58 118.68 120.70 1u3p s LEU 137 Ca 0.00 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1u3p s LEU 137 Cb 0.00 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1u3p s LEU 137 CO 0.00 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1u3p n GLY 138 N 0.99 -1.11 0.26 -3.19 0.00 -1.26 -1.16 105.19 99.72 1u3p n GLY 138 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.44 1u3p n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1u3p h PHE 139 N 0.00 0.26 -0.06 1.61 -5.15 -1.96 0.90 116.94 112.54 1u3p h PHE 139 Ca 0.00 -0.02 -0.11 0.00 -0.20 0.00 0.00 57.97 57.64 1u3p h PHE 139 Cb 0.00 -0.08 0.01 0.00 0.22 0.00 0.00 35.95 36.10 1u3p h PHE 139 CO 0.00 0.30 -0.40 1.79 -2.00 0.00 0.00 178.31 177.99 1u3p h THR 140 N 0.25 1.42 -0.53 0.88 1.35 -1.77 0.55 112.91 115.06 1u3p h THR 140 Ca 0.06 -1.82 0.06 0.00 -0.55 0.00 0.00 66.41 64.15 1u3p h THR 140 Cb 0.22 2.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 1u3p h THR 140 CO 0.01 0.53 0.35 1.23 -0.25 0.00 0.00 175.52 177.39 1u3p h GLY 141 N -0.10 0.60 -0.49 5.82 0.00 0.50 0.22 103.07 109.62 1u3p h GLY 141 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1u3p h GLY 141 CO 0.08 0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.32 1u3p n ARG 142 N -4.47 1.49 -2.25 4.80 1.74 0.29 -4.32 116.66 113.94 1u3p n ARG 142 Ca 0.07 -0.74 -0.15 0.00 -0.77 0.00 0.00 57.85 56.26 1u3p n ARG 142 Cb 0.23 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1u3p n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u3p n GLY 143 N 0.96 -0.18 0.13 -0.13 0.00 0.76 -4.90 105.19 101.83 1u3p n GLY 143 Ca 0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1u3p n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u3p h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -0.08 -3.46 114.58 117.73 1u3p h GLU 144 Ca -0.35 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.26 1u3p h GLU 144 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1u3p h GLU 144 CO 0.42 0.00 0.66 0.41 -1.00 0.00 0.00 179.01 179.50 1u3p n GLY 145 N 1.20 0.35 3.08 -3.84 0.00 -1.21 -1.86 105.19 102.92 1u3p n GLY 145 Ca 0.02 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1u3p n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3p s ILE 146 N -2.06 1.12 0.34 -0.61 1.01 -0.52 -4.40 121.20 116.07 1u3p s ILE 146 Ca 0.22 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1u3p s ILE 146 Cb -0.01 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 1u3p s ILE 146 CO -0.00 0.33 -0.07 0.00 0.00 0.00 0.00 174.94 175.20 1u3p s ALA 147 N -0.03 3.02 -0.05 9.38 0.00 -0.91 -1.71 121.76 131.47 1u3p s ALA 147 Ca -0.01 -2.06 -0.23 0.00 0.00 0.00 0.00 51.96 49.67 1u3p s ALA 147 Cb -0.09 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1u3p s ALA 147 CO 0.01 0.08 0.50 0.00 0.00 0.00 0.00 175.76 176.35 1u3p s GLU 149 N -1.13 1.21 -0.05 0.00 2.02 0.15 -1.69 118.70 119.22 1u3p s GLU 149 Ca -0.11 -1.46 -0.26 0.00 0.02 0.00 0.00 54.97 53.16 1u3p s GLU 149 Cb -0.03 -1.03 0.06 0.00 0.10 0.00 0.00 34.13 33.23 1u3p s GLU 149 CO 0.07 0.18 0.57 0.00 0.02 0.00 0.00 175.26 176.10 1u3p s ALA 150 N -2.67 -1.49 0.06 5.21 0.00 -0.98 -0.14 121.76 121.76 1u3p s ALA 150 Ca 0.17 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1u3p s ALA 150 Cb -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1u3p s ALA 150 CO 0.05 -0.34 -0.12 0.14 0.00 0.00 0.00 175.76 175.50 1u3p s VAL 151 N -1.18 0.88 0.04 0.00 -7.23 0.10 -1.15 120.40 111.86 1u3p s VAL 151 Ca -0.11 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1u3p s VAL 151 Cb -0.02 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 1u3p s VAL 151 CO 0.08 -0.25 0.04 0.00 -0.31 0.00 0.00 175.10 174.66 1u3p s ALA 152 N -1.24 0.09 -0.08 1.32 0.00 -0.84 -1.21 121.76 119.79 1u3p s ALA 152 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1u3p s ALA 152 Cb -0.10 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1u3p s ALA 152 CO 0.01 -0.29 -0.02 -1.17 0.00 0.00 0.00 175.76 174.29 1u3p s LEU 153 N -2.14 0.77 0.18 0.00 0.20 -0.50 -0.81 118.68 116.38 1u3p s LEU 153 Ca -0.05 -0.15 0.05 0.00 0.69 0.00 0.00 54.13 54.67 1u3p s LEU 153 Cb -0.01 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 1u3p s LEU 153 CO -0.05 -0.17 0.18 -0.76 -0.29 0.00 0.00 176.35 175.26 1u3p s LEU 154 N 1.89 3.91 0.00 -0.68 1.43 0.64 0.11 118.68 125.99 1u3p s LEU 154 Ca 0.05 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1u3p s LEU 154 Cb -0.12 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1u3p s LEU 154 CO -0.06 0.04 0.42 -0.38 0.23 0.00 0.00 176.35 176.59