#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uos n PRO 4 N 0.04 -0.10 -1.86 0.00 -0.02 -1.26 -4.91 135.00 126.88 1uos n PRO 4 Ca -0.05 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 1uos n PRO 4 Cb 0.52 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1uos n PRO 4 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1uos s SER 5 N -2.33 4.94 -0.84 2.55 0.01 -1.26 -2.41 113.70 114.36 1uos s SER 5 Ca 0.70 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.52 1uos s SER 5 Cb -0.26 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1uos s SER 5 CO 0.54 -1.77 0.00 1.41 0.41 0.00 0.00 173.24 173.83 1uos n HIS 6 N -1.63 0.00 -4.23 2.43 8.25 -1.26 -5.01 115.22 113.76 1uos n HIS 6 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 1uos n HIS 6 Cb 0.48 -1.64 -0.12 0.00 1.12 0.00 0.00 29.99 29.83 1uos n HIS 6 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uos s TRP 7 N -2.29 1.34 0.17 4.41 0.52 -1.01 -4.87 118.94 117.21 1uos s TRP 7 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.73 1uos s TRP 7 Cb 0.00 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.53 1uos s TRP 7 CO 0.00 0.08 0.22 -1.12 0.02 0.00 0.00 176.95 176.15 1uos s SER 8 N -1.66 5.92 0.04 2.95 0.01 0.15 -4.83 113.70 116.29 1uos s SER 8 Ca 0.00 0.00 0.08 0.00 1.31 0.00 0.00 55.95 57.34 1uos s SER 8 Cb -0.10 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1uos s SER 8 CO 0.02 0.04 -0.23 -0.94 0.41 0.00 0.00 173.24 172.55 1uos s SER 9 N -3.29 2.71 -0.20 2.44 1.04 -1.26 -0.15 113.70 114.99 1uos s SER 9 Ca 0.33 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 1uos s SER 9 Cb -0.10 -0.23 0.06 0.00 0.10 0.00 0.00 66.02 65.84 1uos s SER 9 CO 0.26 0.19 0.52 -0.47 0.98 0.00 0.00 173.24 174.72 1uos s TYR 10 N -0.80 -0.64 0.00 5.02 6.14 -1.02 -4.99 117.35 121.06 1uos s TYR 10 Ca 0.09 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.26 1uos s TYR 10 Cb -0.09 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.55 1uos s TYR 10 CO 0.02 -0.32 0.00 -3.47 0.64 0.00 0.00 175.55 172.42 1uos n ASP 11 N 3.29 0.00 -0.63 4.32 2.03 -1.26 -0.93 116.55 123.38 1uos n ASP 11 Ca -0.16 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.21 1uos n ASP 11 Cb 0.56 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.15 1uos n ASP 11 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1uos n ARG 12 N 14.00 1.43 -4.55 -0.67 1.85 -1.26 -5.02 116.66 122.43 1uos n ARG 12 Ca 0.00 -3.13 -0.26 0.00 -1.00 0.00 0.00 57.85 53.46 1uos n ARG 12 Cb 0.00 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 29.83 1uos n ARG 12 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1uos s TYR 13 N -2.94 2.38 -0.06 2.89 2.02 -0.10 -3.40 117.35 118.14 1uos s TYR 13 Ca 0.37 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1uos s TYR 13 Cb 0.36 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1uos s TYR 13 CO -0.07 0.48 -0.25 0.00 -1.57 0.00 0.00 175.55 174.15 1uos s TYR 15 N -0.12 1.70 -0.22 0.00 2.02 0.78 -1.85 117.35 119.67 1uos s TYR 15 Ca -0.05 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1uos s TYR 15 Cb -0.14 -0.91 0.08 0.00 -0.40 0.00 0.00 41.96 40.59 1uos s TYR 15 CO 0.04 0.21 0.52 0.21 -1.57 0.00 0.00 175.55 174.96 1uos s LYS 16 N -2.18 0.50 -0.03 -0.62 2.20 -0.76 0.33 119.74 119.18 1uos s LYS 16 Ca 0.08 1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 56.56 1uos s LYS 16 Cb -0.08 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1uos s LYS 16 CO 0.04 -0.17 0.42 0.54 -0.36 0.00 0.00 175.35 175.82 1uos s VAL 17 N 1.79 5.07 -0.12 4.02 0.11 -1.26 -0.96 120.40 129.05 1uos s VAL 17 Ca -0.08 0.85 0.02 0.00 -2.93 0.00 0.00 61.98 59.84 1uos s VAL 17 Cb -0.08 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.03 1uos s VAL 17 CO -0.16 0.51 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.58 1uos s PHE 18 N -0.61 2.70 0.09 1.54 0.40 0.50 -4.99 117.98 117.61 1uos s PHE 18 Ca 0.24 -0.90 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1uos s PHE 18 Cb -0.16 -1.79 -0.20 0.00 0.51 0.00 0.00 43.02 41.37 1uos s PHE 18 CO 0.12 -0.36 1.20 0.87 0.70 0.00 0.00 175.22 177.76 1uos h LYS 19 N 6.82 0.47 -6.02 0.44 1.57 -1.98 -2.43 116.57 115.44 1uos h LYS 19 Ca -0.24 -0.59 -0.72 0.00 -1.87 0.00 0.00 60.65 57.23 1uos h LYS 19 Cb 1.22 0.19 0.08 0.00 0.08 0.00 0.00 32.23 33.80 1uos h LYS 19 CO 0.52 1.23 -0.24 1.04 -0.57 0.00 0.00 179.45 181.44 1uos n GLN 20 N -3.72 0.07 -3.32 3.15 3.00 -1.26 -4.48 117.38 110.81 1uos n GLN 20 Ca -0.10 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.52 1uos n GLN 20 Cb 0.92 -1.26 -0.09 0.00 0.00 0.00 0.00 30.24 29.82 1uos n GLN 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1uos s GLU 21 N -0.56 3.74 0.32 -1.09 2.02 -1.26 -4.28 118.70 117.60 1uos s GLU 21 Ca 0.76 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 55.64 1uos s GLU 21 Cb -1.06 -3.76 -0.06 0.00 0.10 0.00 0.00 34.13 29.35 1uos s GLU 21 CO 0.56 -0.49 0.07 -1.64 0.02 0.00 0.00 175.26 173.78 1uos s MET 22 N 2.20 1.63 0.80 1.61 -1.94 -0.21 -4.72 119.30 118.67 1uos s MET 22 Ca 0.16 -1.91 -0.12 0.00 -1.71 0.00 0.00 55.69 52.11 1uos s MET 22 Cb -0.16 -0.72 0.07 0.00 2.01 0.00 0.00 34.83 36.03 1uos s MET 22 CO 0.12 -0.24 1.12 0.95 -0.01 0.00 0.00 175.02 176.96 1uos s THR 23 N -3.38 2.76 0.10 2.05 -4.23 -1.25 -1.95 115.64 109.73 1uos s THR 23 Ca 0.36 0.25 -0.32 0.00 -1.18 0.00 0.00 61.69 60.79 1uos s THR 23 Cb 0.08 -3.10 -0.13 0.00 1.34 0.00 0.00 72.50 70.70 1uos s THR 23 CO 0.15 -0.32 1.59 -0.25 -0.54 0.00 0.00 174.62 175.25 1uos h TRP 24 N -1.07 -1.17 -0.85 3.99 7.01 -1.67 0.14 115.95 122.33 1uos h TRP 24 Ca -0.47 0.02 0.14 0.00 2.11 0.00 0.00 58.89 60.69 1uos h TRP 24 Cb 1.29 0.48 -0.09 0.00 -2.10 0.00 0.00 29.16 28.73 1uos h TRP 24 CO 0.41 -0.55 0.45 0.00 -2.79 0.00 0.00 178.44 175.96 1uos h ALA 25 N -0.37 1.27 -0.22 2.65 0.00 -1.94 -1.14 119.26 119.51 1uos h ALA 25 Ca -0.01 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1uos h ALA 25 Cb 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1uos h ALA 25 CO -0.15 -0.05 -0.28 -0.44 0.00 0.00 0.00 179.25 178.33 1uos h ASP 26 N 0.66 0.64 -0.42 0.00 3.32 -1.83 -2.17 116.42 116.61 1uos h ASP 26 Ca 0.46 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1uos h ASP 26 Cb 0.61 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1uos h ASP 26 CO -0.34 1.01 0.14 0.00 -1.72 0.00 0.00 179.24 178.33 1uos h ALA 27 N 0.65 0.50 -0.19 3.45 0.00 -0.00 0.52 119.26 124.19 1uos h ALA 27 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uos h ALA 27 Cb 0.85 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1uos h ALA 27 CO 0.07 -0.25 0.11 1.49 0.00 0.00 0.00 179.25 180.67 1uos h GLU 28 N 0.31 0.22 -0.46 0.00 4.57 -1.19 0.28 114.58 118.30 1uos h GLU 28 Ca 0.20 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1uos h GLU 28 Cb 0.19 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1uos h GLU 28 CO -0.20 0.14 0.29 -0.22 -1.18 0.00 0.00 179.01 177.84 1uos h LYS 29 N 0.22 0.57 -0.37 1.92 3.64 -0.97 -1.57 116.57 120.01 1uos h LYS 29 Ca 0.07 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1uos h LYS 29 Cb -0.01 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 1uos h LYS 29 CO -0.03 0.37 -0.03 0.35 -2.27 0.00 0.00 179.45 177.84 1uos h PHE 30 N 0.58 -0.07 -1.01 1.91 3.57 -0.41 -0.42 116.94 121.09 1uos h PHE 30 Ca 0.18 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1uos h PHE 30 Cb -0.02 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1uos h PHE 30 CO -0.06 -0.10 0.65 0.00 -2.23 0.00 0.00 178.31 176.58 1uos h THR 32 N 1.21 0.92 0.00 0.00 2.02 -0.11 -2.04 112.91 114.91 1uos h THR 32 Ca 0.42 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1uos h THR 32 Cb 0.12 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1uos h THR 32 CO -0.16 0.07 -0.53 0.00 0.37 0.00 0.00 175.52 175.27 1uos n GLN 33 N -4.47 0.23 0.12 6.66 6.02 -0.38 -4.10 117.38 121.47 1uos n GLN 33 Ca 0.08 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 57.13 1uos n GLN 33 Cb 0.32 -1.65 0.11 0.00 1.02 0.00 0.00 30.24 30.04 1uos n GLN 33 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1uos h GLN 34 N 0.00 0.00 -1.74 -1.09 1.08 -0.97 -3.48 115.11 108.91 1uos h GLN 34 Ca 0.00 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.41 1uos h GLN 34 Cb 0.69 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.95 1uos h GLN 34 CO 0.00 0.68 0.71 -1.58 -0.95 0.00 0.00 178.83 177.69 1uos s HIS 35 N -3.38 -0.19 0.35 2.96 2.46 -1.25 -5.07 115.29 111.18 1uos s HIS 35 Ca -0.00 0.10 -0.27 0.00 0.47 0.00 0.00 55.06 55.35 1uos s HIS 35 Cb 0.12 0.53 -0.09 0.00 -0.13 0.00 0.00 32.58 33.00 1uos s HIS 35 CO 0.77 -0.33 1.23 0.95 -2.47 0.00 0.00 174.74 174.89 1uos s THR 36 N -2.65 2.96 0.00 0.89 -4.23 -1.26 -2.50 115.64 108.84 1uos s THR 36 Ca 0.08 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 1uos s THR 36 Cb -0.01 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1uos s THR 36 CO -0.06 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1uos n GLY 37 N 0.80 0.45 3.78 3.99 0.00 -1.26 -4.82 105.19 108.13 1uos n GLY 37 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1uos n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uos s SER 38 N -2.27 7.32 0.34 1.61 0.15 -1.04 -4.29 113.70 115.51 1uos s SER 38 Ca 0.00 1.59 -0.12 0.00 0.70 0.00 0.00 55.95 58.12 1uos s SER 38 Cb 0.00 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1uos s SER 38 CO 0.00 0.18 0.63 -1.00 1.20 0.00 0.00 173.24 174.25 1uos s HIS 39 N -1.21 0.42 0.52 3.44 0.09 -0.05 -3.49 115.29 115.00 1uos s HIS 39 Ca 0.37 -0.88 -0.22 0.00 -0.00 0.00 0.00 55.06 54.32 1uos s HIS 39 Cb -0.22 0.43 -0.06 0.00 -0.00 0.00 0.00 32.58 32.73 1uos s HIS 39 CO 0.25 -1.30 1.32 -0.51 -0.00 0.00 0.00 174.74 174.50 1uos s LEU 40 N -3.10 3.92 0.53 0.89 1.43 -1.26 0.08 118.68 121.16 1uos s LEU 40 Ca 0.21 2.67 -0.20 0.00 -1.03 0.00 0.00 54.13 55.78 1uos s LEU 40 Cb -0.03 -4.23 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 1uos s LEU 40 CO 0.13 -1.38 0.75 1.33 0.23 0.00 0.00 176.35 177.42 1uos n VAL 41 N -0.82 2.63 -4.19 -1.59 0.24 -0.63 -4.34 118.33 109.64 1uos n VAL 41 Ca 0.09 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.71 1uos n VAL 41 Cb 0.45 -0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 31.81 1uos n VAL 41 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1uos s SER 42 N -1.07 1.74 -0.03 -1.34 1.04 -1.26 -1.15 113.70 111.62 1uos s SER 42 Ca 0.69 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.51 1uos s SER 42 Cb -0.48 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 1uos s SER 42 CO 0.53 -0.10 -0.21 -0.36 0.98 0.00 0.00 173.24 174.08 1uos s PHE 43 N -1.51 2.02 -0.05 5.02 0.40 -1.26 -5.01 117.98 117.59 1uos s PHE 43 Ca 0.01 -0.50 0.07 0.00 -0.60 0.00 0.00 56.93 55.91 1uos s PHE 43 Cb -0.09 -1.32 0.10 0.00 0.51 0.00 0.00 43.02 42.23 1uos s PHE 43 CO 0.02 -0.12 1.00 0.72 0.70 0.00 0.00 175.22 177.54 1uos n HIS 44 N 2.81 0.00 -3.56 0.36 8.25 -1.26 -5.08 115.22 116.75 1uos n HIS 44 Ca -0.17 -0.40 -0.06 0.00 -0.26 0.00 0.00 57.72 56.83 1uos n HIS 44 Cb 0.52 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 1uos n HIS 44 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1uos s SER 45 N -1.56 -0.24 0.06 0.41 1.04 -1.26 -5.03 113.70 107.13 1uos s SER 45 Ca 0.11 0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 1uos s SER 45 Cb 0.10 0.25 -0.12 0.00 0.10 0.00 0.00 66.02 66.35 1uos s SER 45 CO 0.01 -0.40 1.42 0.74 0.98 0.00 0.00 173.24 176.00 1uos h THR 46 N 2.00 1.30 -0.84 2.02 2.02 -2.00 -2.79 112.91 114.63 1uos h THR 46 Ca -0.15 -1.13 0.15 0.00 0.77 0.00 0.00 66.41 66.05 1uos h THR 46 Cb 1.20 1.64 -0.10 0.00 -1.74 0.00 0.00 68.15 69.15 1uos h THR 46 CO 0.26 0.34 0.42 -0.33 0.37 0.00 0.00 175.52 176.59 1uos h GLU 47 N 0.10 0.58 -0.43 6.66 3.07 -1.99 -0.69 114.58 121.87 1uos h GLU 47 Ca 0.04 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1uos h GLU 47 Cb 0.56 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1uos h GLU 47 CO 0.03 0.38 0.03 1.49 -1.40 0.00 0.00 179.01 179.54 1uos h GLU 48 N 0.60 0.75 -0.49 2.33 4.81 -1.94 -1.71 114.58 118.92 1uos h GLU 48 Ca 0.46 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1uos h GLU 48 Cb 0.67 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1uos h GLU 48 CO -0.37 0.80 0.31 0.28 -0.73 0.00 0.00 179.01 179.30 1uos h VAL 49 N 0.59 1.09 -0.31 0.32 2.07 -1.00 -2.04 116.25 116.97 1uos h VAL 49 Ca 0.13 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1uos h VAL 49 Cb 0.45 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1uos h VAL 49 CO 0.02 0.11 -0.25 0.44 0.02 0.00 0.00 177.57 177.91 1uos h ASP 50 N 0.63 -0.83 -0.15 0.57 3.45 -0.94 0.77 116.42 119.92 1uos h ASP 50 Ca 0.18 0.16 0.04 0.00 0.43 0.00 0.00 57.03 57.84 1uos h ASP 50 Cb -0.04 0.40 -0.05 0.00 -0.56 0.00 0.00 39.33 39.08 1uos h ASP 50 CO -0.06 -0.28 -0.16 0.15 -1.57 0.00 0.00 179.24 177.32 1uos h PHE 51 N -0.23 -0.40 0.00 4.55 3.57 -0.84 0.25 116.94 123.83 1uos h PHE 51 Ca 0.16 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1uos h PHE 51 Cb 0.48 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1uos h PHE 51 CO -0.44 -0.23 -0.34 -0.39 -2.23 0.00 0.00 178.31 174.69 1uos h VAL 52 N -0.19 0.91 -0.18 1.41 -1.51 -0.90 -0.17 116.25 115.63 1uos h VAL 52 Ca 0.10 -1.33 -0.06 0.00 -1.23 0.00 0.00 66.70 64.18 1uos h VAL 52 Cb 0.34 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1uos h VAL 52 CO -0.26 0.33 -0.14 0.58 -1.23 0.00 0.00 177.57 176.85 1uos h VAL 53 N 0.00 1.33 0.09 7.19 2.07 -0.23 0.40 116.25 127.10 1uos h VAL 53 Ca -0.00 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1uos h VAL 53 Cb 0.77 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1uos h VAL 53 CO 0.04 0.38 -0.04 0.11 0.02 0.00 0.00 177.57 178.08 1uos h LYS 54 N 0.07 -0.11 -0.99 1.57 1.57 -0.80 0.34 116.57 118.21 1uos h LYS 54 Ca 0.03 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1uos h LYS 54 Cb 0.65 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 1uos h LYS 54 CO 0.04 0.04 0.63 1.98 -0.57 0.00 0.00 179.45 181.57 1uos h MET 55 N -0.25 1.03 0.04 3.15 4.05 -1.00 -2.57 114.93 119.39 1uos h MET 55 Ca -0.01 -0.06 -0.23 0.00 -0.28 0.00 0.00 59.70 59.12 1uos h MET 55 Cb 0.21 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1uos h MET 55 CO 0.02 0.68 -1.02 0.00 0.23 0.00 0.00 176.91 176.82 1uos h THR 56 N 1.07 1.49 -0.09 -0.77 1.03 0.25 -3.26 112.91 112.62 1uos h THR 56 Ca 0.45 -2.77 -0.07 0.00 -0.01 0.00 0.00 66.41 64.01 1uos h THR 56 Cb 0.32 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 70.02 1uos h THR 56 CO -0.21 0.81 -0.28 -0.74 -0.01 0.00 0.00 175.52 175.10 1uos h HIS 57 N 0.12 0.18 -0.00 0.00 6.17 0.04 0.16 115.15 121.82 1uos h HIS 57 Ca -0.08 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1uos h HIS 57 Cb 1.69 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.58 1uos h HIS 57 CO 0.05 0.43 -0.09 0.00 0.71 0.00 0.00 177.93 179.03 1uos n GLN 58 N -4.16 0.84 0.00 5.26 10.64 -1.02 -4.31 117.38 124.63 1uos n GLN 58 Ca -0.01 -0.31 0.00 0.00 -1.83 0.00 0.00 57.00 54.85 1uos n GLN 58 Cb 0.37 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 1uos n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1uos n SER 59 N -0.81 2.50 -4.79 2.61 3.41 -1.05 -5.05 113.62 110.43 1uos n SER 59 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 1uos n SER 59 Cb 0.27 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1uos n SER 59 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uos s LEU 60 N -5.32 4.25 -0.04 1.04 1.43 0.02 -4.95 118.68 115.11 1uos s LEU 60 Ca 0.00 1.81 0.20 0.00 -1.03 0.00 0.00 54.13 55.10 1uos s LEU 60 Cb 0.00 -4.14 -0.24 0.00 0.03 0.00 0.00 46.19 41.85 1uos s LEU 60 CO 0.00 -0.14 0.49 0.29 0.23 0.00 0.00 176.35 177.22 1uos n LYS 61 N 0.28 0.65 0.00 1.70 4.76 -1.26 -4.81 118.16 119.49 1uos n LYS 61 Ca 0.03 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1uos n LYS 61 Cb 0.51 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1uos n LYS 61 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1uos n SER 62 N -2.58 -0.70 0.00 4.39 7.64 -1.26 -5.02 113.62 116.09 1uos n SER 62 Ca -0.13 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1uos n SER 62 Cb 0.80 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1uos n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1uos n THR 63 N -1.73 0.00 -4.79 0.44 -1.04 -1.26 -4.93 114.28 100.97 1uos n THR 63 Ca 0.00 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1uos n THR 63 Cb 0.00 0.28 -0.15 0.00 -1.82 0.00 0.00 70.33 68.64 1uos n THR 63 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1uos s PHE 64 N -0.93 1.60 0.01 -1.42 0.40 -1.26 -1.43 117.98 114.95 1uos s PHE 64 Ca 0.00 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1uos s PHE 64 Cb 0.00 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1uos s PHE 64 CO 0.00 -0.01 -0.03 -0.59 0.70 0.00 0.00 175.22 175.29 1uos s PHE 65 N -0.50 0.29 0.50 0.36 -0.12 -1.02 -3.74 117.98 113.74 1uos s PHE 65 Ca 0.07 -0.29 -0.24 0.00 -0.05 0.00 0.00 56.93 56.42 1uos s PHE 65 Cb -0.07 -0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.06 1uos s PHE 65 CO -0.00 -0.08 1.41 0.91 -0.05 0.00 0.00 175.22 177.40 1uos n TRP 66 N 2.24 2.54 -4.37 3.49 5.03 -0.28 -0.43 117.44 125.65 1uos n TRP 66 Ca -0.18 0.43 -0.24 0.00 3.03 0.00 0.00 57.50 60.54 1uos n TRP 66 Cb 0.57 -2.42 -0.12 0.00 -1.03 0.00 0.00 31.31 28.32 1uos n TRP 66 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 1uos s ILE 67 N -1.24 2.06 -0.18 -0.99 1.09 -0.79 -4.16 121.20 117.00 1uos s ILE 67 Ca 0.66 -1.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.27 1uos s ILE 67 Cb -0.43 -1.95 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 1uos s ILE 67 CO 0.54 -0.20 0.33 0.61 -0.10 0.00 0.00 174.94 176.11 1uos n GLY 68 N 0.35 0.69 3.13 6.18 0.00 -0.30 -4.55 105.19 110.68 1uos n GLY 68 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1uos n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uos s ALA 69 N 0.35 1.75 0.20 4.61 0.00 -1.26 -4.99 121.76 122.41 1uos s ALA 69 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1uos s ALA 69 Cb 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1uos s ALA 69 CO 0.00 0.22 -0.04 0.54 0.00 0.00 0.00 175.76 176.47 1uos s ASN 70 N 0.46 1.83 -1.45 0.00 4.22 -1.26 -1.72 114.94 117.02 1uos s ASN 70 Ca -0.16 -1.14 -0.06 0.00 -2.14 0.00 0.00 52.86 49.36 1uos s ASN 70 Cb -0.17 0.00 0.04 0.00 1.28 0.00 0.00 41.25 42.41 1uos s ASN 70 CO 0.06 -0.44 0.70 0.59 -2.04 0.00 0.00 177.10 175.98 1uos n ASN 71 N -0.34 -2.12 0.32 3.54 4.13 -0.49 -4.86 115.26 115.45 1uos n ASN 71 Ca -0.07 -0.89 0.22 0.00 1.68 0.00 0.00 54.58 55.52 1uos n ASN 71 Cb 0.63 -3.55 1.16 0.00 -1.54 0.00 0.00 39.78 36.48 1uos n ASN 71 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 1uos h ILE 72 N -1.87 0.00 -0.00 2.41 3.07 -1.69 -2.52 117.51 116.90 1uos h ILE 72 Ca -0.61 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.80 1uos h ILE 72 Cb 1.37 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1uos h ILE 72 CO 0.64 0.00 -0.28 0.79 -1.05 0.00 0.00 178.15 178.25 1uos n TRP 73 N -2.99 0.00 0.13 0.16 5.03 -1.26 -4.55 117.44 113.96 1uos n TRP 73 Ca -0.03 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.52 1uos n TRP 73 Cb 0.07 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.36 1uos n TRP 73 CO 0.00 0.00 0.00 -0.91 -0.03 0.00 0.00 177.69 176.75 1uos h ASN 74 N 0.43 0.00 1.78 -0.99 4.21 -1.76 -3.24 115.58 116.01 1uos h ASN 74 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1uos h ASN 74 Cb 0.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1uos h ASN 74 CO 0.00 0.54 -0.21 0.11 -1.29 0.00 0.00 177.43 176.57 1uos h LYS 75 N 0.00 0.00 -6.78 0.81 1.57 -1.79 -3.48 116.57 106.90 1uos h LYS 75 Ca -0.01 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 1uos h LYS 75 Cb 1.41 0.00 0.22 0.00 0.08 0.00 0.00 32.23 33.94 1uos h LYS 75 CO 0.07 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.34 1uos s ASN 77 N -2.01 6.28 0.11 0.00 3.04 -1.26 -5.06 114.94 116.04 1uos s ASN 77 Ca 0.57 -2.32 -0.21 0.00 0.04 0.00 0.00 52.86 50.95 1uos s ASN 77 Cb -0.20 -2.15 -0.07 0.00 -1.54 0.00 0.00 41.25 37.29 1uos s ASN 77 CO 0.67 -0.66 0.63 0.26 -3.04 0.00 0.00 177.10 174.97 1uos s TRP 78 N 0.76 3.81 -0.01 0.43 0.52 -1.26 -5.07 118.94 118.12 1uos s TRP 78 Ca 0.11 1.37 -0.05 0.00 0.02 0.00 0.00 56.10 57.55 1uos s TRP 78 Cb -0.20 -2.57 0.00 0.00 -1.15 0.00 0.00 33.47 29.55 1uos s TRP 78 CO -0.03 0.55 0.10 -1.14 0.02 0.00 0.00 176.95 176.44 1uos s GLN 79 N -1.22 0.35 0.26 4.98 0.74 -1.26 -4.42 119.66 119.08 1uos s GLN 79 Ca 0.32 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 55.17 1uos s GLN 79 Cb -0.20 0.14 -0.09 0.00 1.10 0.00 0.00 33.01 33.96 1uos s GLN 79 CO 0.21 -0.07 0.95 -1.58 -0.55 0.00 0.00 175.29 174.25 1uos s TRP 80 N -0.96 3.92 0.13 1.67 0.52 -0.72 -4.90 118.94 118.61 1uos s TRP 80 Ca -0.10 1.88 0.22 0.00 0.02 0.00 0.00 56.10 58.12 1uos s TRP 80 Cb -0.06 -2.99 1.19 0.00 -1.15 0.00 0.00 33.47 30.46 1uos s TRP 80 CO 0.01 0.35 1.63 0.66 0.02 0.00 0.00 176.95 179.62 1uos h SER 81 N 3.97 0.00 -0.22 2.95 4.64 -2.01 0.51 113.55 123.39 1uos h SER 81 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1uos h SER 81 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1uos h SER 81 CO 0.67 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1uos n ASP 82 N -2.37 1.31 0.00 4.97 5.75 -1.26 -4.92 116.55 120.03 1uos n ASP 82 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1uos n ASP 82 Cb 0.22 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1uos n ASP 82 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uos n GLY 83 N 0.79 2.28 3.63 6.12 0.00 0.18 -5.03 105.19 113.17 1uos n GLY 83 Ca 0.08 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1uos n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uos s THR 84 N -0.74 2.30 -0.03 2.61 -4.23 -1.26 -4.69 115.64 109.61 1uos s THR 84 Ca 0.00 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1uos s THR 84 Cb 0.00 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1uos s THR 84 CO 0.00 -0.13 0.15 -0.75 -0.54 0.00 0.00 174.62 173.35 1uos s LYS 85 N -4.69 3.36 -1.08 3.99 2.47 -1.26 -1.76 119.74 120.76 1uos s LYS 85 Ca 0.66 -0.32 -0.24 0.00 -1.56 0.00 0.00 55.97 54.51 1uos s LYS 85 Cb -0.22 -3.06 -0.10 0.00 -1.46 0.00 0.00 37.83 32.99 1uos s LYS 85 CO 0.60 0.69 1.99 -1.25 0.16 0.00 0.00 175.35 177.54 1uos s PRO 86 N -1.73 2.24 -0.01 4.03 0.04 -1.26 -4.72 135.00 133.59 1uos s PRO 86 Ca 0.24 -0.76 -0.15 0.00 0.04 0.00 0.00 61.00 60.37 1uos s PRO 86 Cb -0.12 -5.14 -0.08 0.00 0.04 0.00 0.00 34.50 29.20 1uos s PRO 86 CO 0.15 -4.12 0.75 1.49 0.04 0.00 0.00 177.00 175.31 1uos h GLU 87 N 10.54 -0.52 -6.55 4.56 4.22 -1.98 -3.42 114.58 121.43 1uos h GLU 87 Ca 0.15 0.04 -0.53 0.00 0.08 0.00 0.00 59.36 59.09 1uos h GLU 87 Cb 0.97 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1uos h GLU 87 CO 1.18 -0.34 0.48 -0.47 -2.18 0.00 0.00 179.01 177.67 1uos s TYR 88 N -3.42 3.57 0.06 0.92 6.14 -1.26 -5.03 117.35 118.31 1uos s TYR 88 Ca -0.08 1.52 0.07 0.00 0.64 0.00 0.00 57.07 59.22 1uos s TYR 88 Cb 0.01 -3.29 -0.03 0.00 0.42 0.00 0.00 41.96 39.08 1uos s TYR 88 CO 0.24 -0.69 -0.19 0.21 0.64 0.00 0.00 175.55 175.76 1uos s LYS 89 N 0.39 1.18 -0.24 4.97 2.36 -1.26 -5.03 119.74 122.11 1uos s LYS 89 Ca 0.53 -0.95 0.20 0.00 -2.55 0.00 0.00 55.97 53.20 1uos s LYS 89 Cb -0.28 -1.30 0.45 0.00 -1.05 0.00 0.00 37.83 35.65 1uos s LYS 89 CO 0.31 0.32 1.23 -1.91 1.55 0.00 0.00 175.35 176.85 1uos n GLU 90 N 1.65 1.37 -1.08 4.03 2.13 -1.26 -5.13 120.64 122.35 1uos n GLU 90 Ca -0.18 -2.63 -0.30 0.00 0.66 0.00 0.00 57.16 54.71 1uos n GLU 90 Cb 0.54 -0.80 0.14 0.00 0.27 0.00 0.00 31.44 31.59 1uos n GLU 90 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1uos s TRP 91 N -2.19 2.18 -0.34 4.31 0.52 -1.26 -5.00 118.94 117.17 1uos s TRP 91 Ca 0.22 1.40 -0.13 0.00 0.02 0.00 0.00 56.10 57.61 1uos s TRP 91 Cb 0.35 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 1uos s TRP 91 CO -0.08 -2.46 0.24 -1.58 0.02 0.00 0.00 176.95 173.09 1uos s HIS 92 N -2.84 3.23 -0.48 -1.98 5.65 -1.26 -5.01 115.29 112.61 1uos s HIS 92 Ca 0.64 -0.19 -0.43 0.00 0.25 0.00 0.00 55.06 55.33 1uos s HIS 92 Cb -0.19 -2.47 -0.18 0.00 -1.18 0.00 0.00 32.58 28.56 1uos s HIS 92 CO 0.58 -0.35 2.12 0.39 -0.65 0.00 0.00 174.74 176.82 1uos n GLU 93 N 5.10 0.16 -3.74 2.88 4.71 -1.26 -4.92 120.64 123.57 1uos n GLU 93 Ca -0.13 0.05 -0.13 0.00 -0.01 0.00 0.00 57.16 56.94 1uos n GLU 93 Cb 0.50 -1.64 -0.14 0.00 -1.01 0.00 0.00 31.44 29.15 1uos n GLU 93 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1uos s GLU 94 N 5.86 0.16 -0.25 3.49 2.12 -1.26 -5.13 118.70 123.69 1uos s GLU 94 Ca 1.18 0.45 -0.01 0.00 0.36 0.00 0.00 54.97 56.94 1uos s GLU 94 Cb -1.41 -0.14 0.08 0.00 0.26 0.00 0.00 34.13 32.92 1uos s GLU 94 CO 0.64 -0.16 0.03 -0.06 -0.54 0.00 0.00 175.26 175.18 1uos s PHE 95 N 1.16 1.73 -0.12 5.30 0.40 -1.26 -4.80 117.98 120.39 1uos s PHE 95 Ca -0.09 -1.48 -0.10 0.00 -0.60 0.00 0.00 56.93 54.66 1uos s PHE 95 Cb -0.10 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 1uos s PHE 95 CO -0.07 -0.76 0.20 -1.21 0.70 0.00 0.00 175.22 174.08 1uos s GLU 96 N 1.62 3.72 0.15 0.44 0.41 -1.26 0.26 118.70 124.04 1uos s GLU 96 Ca 0.02 -0.02 0.09 0.00 -0.41 0.00 0.00 54.97 54.64 1uos s GLU 96 Cb -0.18 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 1uos s GLU 96 CO -0.14 0.64 -0.20 0.00 -0.49 0.00 0.00 175.26 175.07 1uos s LEU 98 N -2.47 4.04 0.03 0.00 1.43 -0.70 -0.83 118.68 120.18 1uos s LEU 98 Ca 0.14 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1uos s LEU 98 Cb -0.07 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1uos s LEU 98 CO 0.06 -0.33 -0.04 0.27 0.23 0.00 0.00 176.35 176.55 1uos s ILE 99 N -2.01 0.23 0.30 -0.59 -4.36 -0.32 -1.88 121.20 112.58 1uos s ILE 99 Ca 0.59 -1.18 0.07 0.00 -0.26 0.00 0.00 60.65 59.88 1uos s ILE 99 Cb -0.12 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.90 1uos s ILE 99 CO 0.17 -0.61 0.24 -0.44 0.24 0.00 0.00 174.94 174.54 1uos s SER 100 N -1.87 5.31 0.28 4.36 0.01 0.42 -1.63 113.70 120.58 1uos s SER 100 Ca -0.09 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1uos s SER 100 Cb -0.05 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 1uos s SER 100 CO -0.03 -0.22 0.43 -0.13 0.41 0.00 0.00 173.24 173.70 1uos s ARG 101 N -3.92 3.45 0.00 12.44 0.52 -1.25 -2.44 118.95 127.76 1uos s ARG 101 Ca 0.37 -0.61 0.23 0.00 -0.52 0.00 0.00 55.73 55.20 1uos s ARG 101 Cb -0.06 -2.81 0.22 0.00 0.52 0.00 0.00 34.95 32.82 1uos s ARG 101 CO 0.25 0.33 1.25 -2.37 0.02 0.00 0.00 175.30 174.79 1uos n THR 102 N -1.54 0.09 -0.71 0.02 5.66 -0.51 -4.27 114.28 113.01 1uos n THR 102 Ca -0.08 -0.55 0.01 0.00 -3.05 0.00 0.00 64.05 60.39 1uos n THR 102 Cb 0.57 1.39 0.01 0.00 -1.55 0.00 0.00 70.33 70.75 1uos n THR 102 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1uos n PHE 103 N 1.32 0.00 -3.69 1.09 1.16 -1.26 -4.49 117.46 111.59 1uos n PHE 103 Ca 0.14 -0.31 -0.09 0.00 -1.87 0.00 0.00 57.45 55.33 1uos n PHE 103 Cb 0.58 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.39 1uos n PHE 103 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1uos s ASP 104 N -0.81 -0.37 0.00 5.98 2.15 -1.26 -5.04 116.67 117.32 1uos s ASP 104 Ca 0.03 -0.37 0.26 0.00 0.43 0.00 0.00 52.55 52.91 1uos s ASP 104 Cb 0.03 0.67 0.73 0.00 -0.30 0.00 0.00 42.92 44.05 1uos s ASP 104 CO 0.00 -1.18 1.56 0.59 -0.17 0.00 0.00 175.17 175.97 1uos n ASN 105 N -0.43 1.83 -4.84 -0.34 3.02 -1.26 -4.37 115.26 108.87 1uos n ASN 105 Ca -0.09 -1.54 -0.33 0.00 -0.03 0.00 0.00 54.58 52.59 1uos n ASN 105 Cb 0.61 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 1uos n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1uos s GLN 106 N -2.10 4.07 0.31 3.52 -1.52 -1.26 -4.99 119.66 117.69 1uos s GLN 106 Ca 0.32 0.71 0.08 0.00 -1.95 0.00 0.00 55.36 54.53 1uos s GLN 106 Cb 0.20 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 1uos s GLN 106 CO 0.37 0.23 0.18 -1.58 -0.25 0.00 0.00 175.29 174.24 1uos s TRP 107 N -1.84 2.84 0.00 0.91 0.51 -1.26 -3.76 118.94 116.33 1uos s TRP 107 Ca 0.51 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 54.20 1uos s TRP 107 Cb -0.12 -1.59 0.00 0.00 -0.81 0.00 0.00 33.47 30.94 1uos s TRP 107 CO 0.18 0.35 0.00 1.28 -0.51 0.00 0.00 176.95 178.26 1uos n LEU 108 N -1.20 0.00 -4.34 2.99 4.32 -0.64 -5.00 117.00 113.13 1uos n LEU 108 Ca -0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.78 1uos n LEU 108 Cb 0.60 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.30 1uos n LEU 108 CO 0.42 0.00 -0.24 -0.94 -1.22 0.00 0.00 177.39 175.41 1uos s SER 109 N -0.86 1.41 -0.13 -1.43 1.04 -1.26 -1.18 113.70 111.28 1uos s SER 109 Ca 0.00 -1.42 -0.30 0.00 0.48 0.00 0.00 55.95 54.71 1uos s SER 109 Cb 0.00 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.41 1uos s SER 109 CO 0.00 -0.75 0.89 0.00 0.98 0.00 0.00 173.24 174.36 1uos s ALA 110 N -3.67 -1.88 0.16 5.32 0.00 -0.01 -4.84 121.76 116.84 1uos s ALA 110 Ca 0.37 1.53 -0.34 0.00 0.00 0.00 0.00 51.96 53.52 1uos s ALA 110 Cb 0.07 -0.54 -0.15 0.00 0.00 0.00 0.00 23.12 22.51 1uos s ALA 110 CO 0.14 -0.32 1.47 -0.35 0.00 0.00 0.00 175.76 176.69 1uos n PRO 111 N 0.94 1.82 0.33 0.00 -0.04 -1.26 -0.69 135.00 136.11 1uos n PRO 111 Ca -0.13 0.66 0.21 0.00 -0.04 0.00 0.00 63.50 64.19 1uos n PRO 111 Cb 0.57 -2.36 1.12 0.00 -0.04 0.00 0.00 33.50 32.79 1uos n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uos n SER 113 N -3.09 0.13 -3.79 0.00 3.41 -1.26 -2.45 113.62 106.58 1uos n SER 113 Ca -0.03 0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.55 1uos n SER 113 Cb 0.14 -0.30 0.26 0.00 -0.26 0.00 0.00 64.21 64.05 1uos n SER 113 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1uos s ASP 114 N -2.97 0.13 -0.17 4.04 1.11 0.44 -4.84 116.67 114.41 1uos s ASP 114 Ca 0.14 0.86 -0.01 0.00 0.18 0.00 0.00 52.55 53.73 1uos s ASP 114 Cb 0.19 -1.25 0.05 0.00 1.07 0.00 0.00 42.92 42.97 1uos s ASP 114 CO 0.57 -4.64 -0.03 -0.89 1.18 0.00 0.00 175.17 171.36 1uos s THR 115 N -2.62 0.96 0.23 -1.27 2.01 -1.26 -3.96 115.64 109.74 1uos s THR 115 Ca 0.69 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1uos s THR 115 Cb -0.14 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1uos s THR 115 CO 0.58 0.04 0.11 -0.31 -0.69 0.00 0.00 174.62 174.35 1uos s TYR 116 N 1.68 1.37 0.64 4.92 2.02 -0.82 -4.78 117.35 122.38 1uos s TYR 116 Ca -0.00 -1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 55.32 1uos s TYR 116 Cb -0.16 -0.74 0.15 0.00 -0.40 0.00 0.00 41.96 40.81 1uos s TYR 116 CO -0.07 -0.47 0.78 0.43 -1.57 0.00 0.00 175.55 174.64 1uos n SER 117 N -0.38 -0.38 -3.41 2.29 7.64 -1.25 -1.04 113.62 117.09 1uos n SER 117 Ca 0.01 -1.19 -0.03 0.00 1.01 0.00 0.00 58.87 58.67 1uos n SER 117 Cb 0.66 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1uos n SER 117 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1uos s PHE 118 N -2.64 0.05 -0.00 1.43 -0.12 -0.92 -1.13 117.98 114.66 1uos s PHE 118 Ca 0.45 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1uos s PHE 118 Cb -0.02 0.69 -0.00 0.00 -0.63 0.00 0.00 43.02 43.06 1uos s PHE 118 CO 0.33 -0.89 -0.02 0.54 -0.05 0.00 0.00 175.22 175.13 1uos s VAL 119 N -2.27 0.15 0.19 -2.49 0.11 -1.26 -0.37 120.40 114.46 1uos s VAL 119 Ca 0.21 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1uos s VAL 119 Cb -0.02 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 1uos s VAL 119 CO 0.05 0.05 0.19 0.00 -3.33 0.00 0.00 175.10 172.05 1uos s LYS 121 N -3.40 0.57 0.06 0.00 2.20 0.11 -1.82 119.74 117.46 1uos s LYS 121 Ca 0.32 -0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.40 1uos s LYS 121 Cb -0.09 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.53 1uos s LYS 121 CO 0.25 -0.14 0.58 -0.59 -0.36 0.00 0.00 175.35 175.09 1uos s PHE 122 N -1.32 -0.51 0.37 4.03 -0.12 -0.77 -0.87 117.98 118.79 1uos s PHE 122 Ca -0.14 0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 57.26 1uos s PHE 122 Cb -0.06 0.43 0.08 0.00 -0.63 0.00 0.00 43.02 42.84 1uos s PHE 122 CO 0.03 -0.71 0.51 -1.91 -0.05 0.00 0.00 175.22 173.09 1uos n GLU 123 N 0.24 -0.20 -0.61 1.99 2.13 -1.26 -0.19 120.64 122.73 1uos n GLU 123 Ca -0.18 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.65 1uos n GLU 123 Cb 0.61 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 31.86 1uos n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72