#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuf n MET 3 N 0.00 0.71 -0.29 1.97 1.56 -1.26 -4.05 117.12 115.75 2nuf n MET 3 Ca 0.00 -0.57 -0.05 0.00 -0.27 0.00 0.00 57.70 56.81 2nuf n MET 3 Cb 0.00 -1.49 0.07 0.00 2.15 0.00 0.00 33.22 33.95 2nuf n MET 3 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 2nuf h LEU 4 N 1.39 0.97 -1.90 -0.89 3.38 -2.00 -0.56 115.31 115.71 2nuf h LEU 4 Ca 0.00 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.02 2nuf h LEU 4 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2nuf h LEU 4 CO 0.00 0.75 0.49 -0.33 0.09 0.00 0.00 178.44 179.44 2nuf h GLU 5 N 1.10 0.00 0.03 1.13 5.08 -2.00 0.47 114.58 120.39 2nuf h GLU 5 Ca 0.29 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2nuf h GLU 5 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2nuf h GLU 5 CO -0.05 0.00 -0.98 0.37 -1.00 0.00 0.00 179.01 177.35 2nuf h GLN 6 N 0.00 0.20 0.05 2.33 4.15 -1.35 -2.92 115.11 117.57 2nuf h GLN 6 Ca 0.19 -0.25 -0.25 0.00 0.77 0.00 0.00 58.65 59.11 2nuf h GLN 6 Cb 1.16 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.93 2nuf h GLN 6 CO -0.00 1.03 -1.07 1.25 -1.93 0.00 0.00 178.83 178.11 2nuf h LEU 7 N 0.09 0.54 -1.90 -2.39 5.85 -0.13 -3.06 115.31 114.31 2nuf h LEU 7 Ca -0.06 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.18 2nuf h LEU 7 Cb 1.64 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2nuf h LEU 7 CO 0.15 1.31 0.08 -0.33 -0.34 0.00 0.00 178.44 179.31 2nuf h GLU 8 N 0.19 0.13 -0.06 1.25 5.08 -1.14 -1.28 114.58 118.74 2nuf h GLU 8 Ca -0.11 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 2nuf h GLU 8 Cb 1.73 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 2nuf h GLU 8 CO 0.18 0.08 -0.73 -0.22 -1.00 0.00 0.00 179.01 177.33 2nuf h LYS 9 N 0.13 0.35 -0.30 2.33 3.64 -1.42 0.15 116.57 121.45 2nuf h LYS 9 Ca 0.04 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 2nuf h LYS 9 Cb 0.02 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2nuf h LYS 9 CO -0.01 0.93 -0.13 0.87 -2.27 0.00 0.00 179.45 178.85 2nuf h LYS 10 N 0.23 0.62 -0.42 1.90 1.57 -1.21 -3.02 116.57 116.25 2nuf h LYS 10 Ca -0.03 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2nuf h LYS 10 Cb 1.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2nuf h LYS 10 CO 0.12 0.84 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.57 2nuf h LEU 11 N 0.38 0.83 -0.65 2.94 -0.00 -1.29 -3.47 115.31 114.05 2nuf h LEU 11 Ca 0.07 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2nuf h LEU 11 Cb 0.64 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2nuf h LEU 11 CO 0.04 1.01 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 2nuf n GLY 12 N -0.25 0.80 3.25 0.83 0.00 0.47 -5.02 105.19 105.27 2nuf n GLY 12 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2nuf n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2nuf s TYR 13 N -2.65 -0.32 -0.18 1.61 5.04 -0.78 -5.05 117.35 115.02 2nuf s TYR 13 Ca 0.00 0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 55.32 2nuf s TYR 13 Cb 0.00 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.44 2nuf s TYR 13 CO 0.00 -0.28 -0.13 0.99 -1.34 0.00 0.00 175.55 174.79 2nuf s THR 14 N -0.44 2.73 0.56 4.34 2.01 -1.26 -4.56 115.64 119.02 2nuf s THR 14 Ca -0.06 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 2nuf s THR 14 Cb -0.04 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2nuf s THR 14 CO 0.02 0.50 1.02 -0.36 -0.69 0.00 0.00 174.62 175.11 2nuf s PHE 15 N 1.10 3.30 -0.16 4.92 0.40 -1.26 -4.96 117.98 121.33 2nuf s PHE 15 Ca 0.00 1.46 0.15 0.00 -0.60 0.00 0.00 56.93 57.94 2nuf s PHE 15 Cb -0.14 -2.86 -0.24 0.00 0.51 0.00 0.00 43.02 40.29 2nuf s PHE 15 CO -0.04 -0.70 0.20 1.63 0.70 0.00 0.00 175.22 177.02 2nuf n LYS 16 N -1.95 0.67 -3.85 0.44 4.01 -1.26 -4.66 118.16 111.56 2nuf n LYS 16 Ca 0.07 0.08 -0.32 0.00 -0.51 0.00 0.00 58.31 57.63 2nuf n LYS 16 Cb 0.54 -1.59 -0.12 0.00 -0.51 0.00 0.00 35.03 33.35 2nuf n LYS 16 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2nuf s ASP 17 N -5.73 4.74 0.35 4.39 -1.08 -1.26 -4.93 116.67 113.14 2nuf s ASP 17 Ca -0.10 -3.07 0.26 0.00 -0.52 0.00 0.00 52.55 49.12 2nuf s ASP 17 Cb 0.07 -1.73 1.24 0.00 -1.46 0.00 0.00 42.92 41.04 2nuf s ASP 17 CO 0.81 -0.26 1.78 0.11 0.52 0.00 0.00 175.17 178.13 2nuf h LYS 18 N 6.56 0.00 -0.04 4.34 1.57 -2.01 -0.61 116.57 126.39 2nuf h LYS 18 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2nuf h LYS 18 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2nuf h LYS 18 CO 0.71 0.00 -0.45 0.77 -0.57 0.00 0.00 179.45 179.90 2nuf h SER 19 N 0.00 0.09 -0.13 0.86 0.02 -1.99 -1.74 113.55 110.65 2nuf h SER 19 Ca 0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2nuf h SER 19 Cb 0.19 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2nuf h SER 19 CO 0.00 0.53 0.02 0.25 -1.14 0.00 0.00 176.83 176.49 2nuf h LEU 20 N 0.07 0.22 -1.35 5.07 5.85 -1.53 -1.95 115.31 121.68 2nuf h LEU 20 Ca 0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2nuf h LEU 20 Cb 0.83 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2nuf h LEU 20 CO 0.06 0.43 0.01 0.25 -0.34 0.00 0.00 178.44 178.85 2nuf h LEU 21 N -0.01 0.40 -0.78 2.25 5.85 -1.50 -2.30 115.31 119.22 2nuf h LEU 21 Ca 0.04 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 2nuf h LEU 21 Cb 0.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2nuf h LEU 21 CO 0.00 0.46 -0.55 -0.33 -0.34 0.00 0.00 178.44 177.68 2nuf h GLU 22 N 0.42 0.17 -0.31 1.25 5.08 -1.08 -2.99 114.58 117.12 2nuf h GLU 22 Ca 0.10 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2nuf h GLU 22 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2nuf h GLU 22 CO 0.01 0.68 0.03 -0.22 -1.00 0.00 0.00 179.01 178.51 2nuf h LYS 23 N 0.13 0.53 -0.22 2.33 3.64 -0.81 -1.68 116.57 120.49 2nuf h LYS 23 Ca -0.00 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2nuf h LYS 23 Cb 1.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2nuf h LYS 23 CO 0.08 0.64 0.18 0.00 -2.27 0.00 0.00 179.45 178.09 2nuf h ALA 24 N 0.87 2.04 0.00 5.00 0.00 -1.34 -1.58 119.26 124.25 2nuf h ALA 24 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nuf h ALA 24 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2nuf h ALA 24 CO 0.01 -0.30 -0.75 1.28 0.00 0.00 0.00 179.25 179.49 2nuf n LEU 25 N -4.18 0.67 -4.69 0.00 4.77 -0.90 -4.62 117.00 108.05 2nuf n LEU 25 Ca 0.02 -0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.49 2nuf n LEU 25 Cb 0.32 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2nuf n LEU 25 CO 0.32 0.14 0.01 -0.89 -1.33 0.00 0.00 177.39 175.64 2nuf s THR 26 N -3.04 5.26 0.61 -5.08 2.01 -0.61 -0.96 115.64 113.83 2nuf s THR 26 Ca 0.09 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 2nuf s THR 26 Cb 0.16 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 2nuf s THR 26 CO 0.77 0.31 0.96 -2.28 -0.69 0.00 0.00 174.62 173.69 2nuf s HIS 27 N 1.01 3.37 0.24 4.92 2.46 -0.89 -1.30 115.29 125.11 2nuf s HIS 27 Ca 0.16 0.87 -0.07 0.00 0.47 0.00 0.00 55.06 56.50 2nuf s HIS 27 Cb -0.14 -2.78 0.26 0.00 -0.13 0.00 0.00 32.58 29.79 2nuf s HIS 27 CO 0.06 -0.84 1.90 -0.24 -2.47 0.00 0.00 174.74 173.15 2nuf h VAL 28 N -0.28 1.19 -0.75 0.89 3.04 -1.90 -2.79 116.25 115.65 2nuf h VAL 28 Ca -0.45 -0.41 0.05 0.00 -1.01 0.00 0.00 66.70 64.87 2nuf h VAL 28 Cb 1.24 -0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 2nuf h VAL 28 CO 0.62 0.22 0.49 0.77 -1.01 0.00 0.00 177.57 178.66 2nuf h SER 29 N 1.21 0.74 1.06 3.17 4.64 -1.93 -2.54 113.55 119.89 2nuf h SER 29 Ca 0.35 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2nuf h SER 29 Cb -0.07 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2nuf h SER 29 CO -0.10 0.49 -0.66 0.22 -0.87 0.00 0.00 176.83 175.91 2nuf h TYR 30 N 0.85 0.00 -1.73 4.77 5.03 -1.76 -3.42 116.97 120.71 2nuf h TYR 30 Ca 0.31 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.63 2nuf h TYR 30 Cb 0.15 0.00 -0.23 0.00 1.55 0.00 0.00 36.73 38.20 2nuf h TYR 30 CO -0.00 0.66 -0.28 0.45 -1.32 0.00 0.00 178.16 177.67 2nuf s SER 31 N -6.60 -0.83 0.46 -2.11 0.15 -0.96 -4.93 113.70 98.87 2nuf s SER 31 Ca 0.01 1.00 0.29 0.00 0.70 0.00 0.00 55.95 57.96 2nuf s SER 31 Cb 0.10 1.89 1.02 0.00 -1.71 0.00 0.00 66.02 67.32 2nuf s SER 31 CO 0.76 -0.25 1.84 0.11 1.20 0.00 0.00 173.24 176.90 2nuf h LYS 32 N 8.06 0.00 0.03 5.44 6.56 -1.85 -3.34 116.57 131.47 2nuf h LYS 32 Ca -0.20 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.02 2nuf h LYS 32 Cb 1.13 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.74 2nuf h LYS 32 CO 0.19 0.00 -2.13 1.63 -2.06 0.00 0.00 179.45 177.08 2nuf n LYS 33 N -2.90 0.64 -3.82 3.15 5.02 -1.26 -4.80 118.16 114.18 2nuf n LYS 33 Ca 0.02 0.30 -0.33 0.00 -2.02 0.00 0.00 58.31 56.29 2nuf n LYS 33 Cb 0.36 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 2nuf n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nuf s GLU 34 N -2.49 2.44 0.40 1.97 0.41 -1.25 -5.07 118.70 115.10 2nuf s GLU 34 Ca -0.32 -2.82 0.03 0.00 -0.41 0.00 0.00 54.97 51.45 2nuf s GLU 34 Cb 0.10 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.85 2nuf s GLU 34 CO 0.60 -1.18 0.09 -3.38 -0.49 0.00 0.00 175.26 170.89 2nuf s HIS 35 N -0.59 1.87 -1.93 1.61 -3.43 -1.26 -4.78 115.29 106.79 2nuf s HIS 35 Ca 0.20 -1.12 0.31 0.00 -0.80 0.00 0.00 55.06 53.65 2nuf s HIS 35 Cb -0.18 -1.28 1.82 0.00 -1.43 0.00 0.00 32.58 31.52 2nuf s HIS 35 CO -0.06 -0.11 2.17 2.48 -2.00 0.00 0.00 174.74 177.23 2nuf n TYR 36 N -0.89 0.00 -0.22 0.38 0.18 -0.42 -4.46 117.16 111.73 2nuf n TYR 36 Ca -0.07 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.74 2nuf n TYR 36 Cb 0.66 -0.04 0.14 0.00 -0.38 0.00 0.00 39.34 39.72 2nuf n TYR 36 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2nuf h GLU 37 N 0.00 0.36 -0.02 -3.48 4.81 -1.90 0.08 114.58 114.44 2nuf h GLU 37 Ca 0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2nuf h GLU 37 Cb 0.04 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2nuf h GLU 37 CO 0.00 0.24 -0.86 1.15 -0.73 0.00 0.00 179.01 178.81 2nuf h THR 38 N 0.38 1.42 0.00 0.32 2.02 -2.01 -2.86 112.91 112.18 2nuf h THR 38 Ca 0.35 -2.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.05 2nuf h THR 38 Cb 0.51 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2nuf h THR 38 CO -0.38 0.71 -0.39 -0.07 0.37 0.00 0.00 175.52 175.76 2nuf h LEU 39 N 0.21 0.00 -0.68 2.58 3.38 -1.73 -2.03 115.31 117.03 2nuf h LEU 39 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2nuf h LEU 39 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2nuf h LEU 39 CO 0.14 0.39 -0.37 -0.08 0.09 0.00 0.00 178.44 178.61 2nuf h GLU 40 N 0.00 0.60 -0.06 1.13 4.22 -0.84 0.24 114.58 119.87 2nuf h GLU 40 Ca -0.00 -0.29 0.02 0.00 0.08 0.00 0.00 59.36 59.16 2nuf h GLU 40 Cb 0.77 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2nuf h GLU 40 CO 0.05 0.88 -0.06 0.35 -2.18 0.00 0.00 179.01 178.05 2nuf h PHE 41 N 0.50 -0.14 -0.20 0.92 3.57 -1.16 -0.83 116.94 119.60 2nuf h PHE 41 Ca 0.05 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 2nuf h PHE 41 Cb 0.87 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2nuf h PHE 41 CO 0.04 -0.09 -0.41 1.25 -2.23 0.00 0.00 178.31 176.86 2nuf h LEU 42 N -0.08 0.49 -0.80 0.59 5.85 -1.27 -3.13 115.31 116.96 2nuf h LEU 42 Ca 0.05 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2nuf h LEU 42 Cb 0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2nuf h LEU 42 CO -0.11 0.85 0.33 1.23 -0.34 0.00 0.00 178.44 180.41 2nuf h GLY 43 N 1.11 1.27 0.13 3.75 0.00 -0.06 -2.63 103.07 106.65 2nuf h GLY 43 Ca 0.03 -0.68 0.07 0.00 0.00 0.00 0.00 47.33 46.75 2nuf h GLY 43 CO 0.08 0.64 -0.22 -0.55 0.00 0.00 0.00 176.54 176.49 2nuf h ASP 44 N 1.16 -0.72 0.75 0.19 3.32 -1.10 -0.62 116.42 119.39 2nuf h ASP 44 Ca 0.27 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2nuf h ASP 44 Cb 0.20 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2nuf h ASP 44 CO -0.02 -0.25 -0.40 0.00 -1.72 0.00 0.00 179.24 176.84 2nuf h ALA 45 N 0.92 -1.07 -0.43 3.45 0.00 -1.61 0.36 119.26 120.87 2nuf h ALA 45 Ca 0.15 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2nuf h ALA 45 Cb 0.44 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2nuf h ALA 45 CO -0.41 -1.11 -0.40 1.25 0.00 0.00 0.00 179.25 178.58 2nuf h LEU 46 N -1.06 -1.33 -0.49 0.00 5.85 -1.20 -0.24 115.31 116.84 2nuf h LEU 46 Ca -0.10 0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2nuf h LEU 46 Cb 0.83 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2nuf h LEU 46 CO 0.14 -0.35 -0.01 0.58 -0.34 0.00 0.00 178.44 178.46 2nuf h VAL 47 N -0.29 1.26 -0.88 1.05 2.07 -1.11 -1.94 116.25 116.41 2nuf h VAL 47 Ca 0.16 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.68 2nuf h VAL 47 Cb 0.57 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 2nuf h VAL 47 CO -0.58 0.38 0.54 -1.13 0.02 0.00 0.00 177.57 176.79 2nuf h ASN 48 N 0.73 0.81 -0.67 0.57 -1.24 -0.34 -0.95 115.58 114.49 2nuf h ASN 48 Ca 0.14 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 2nuf h ASN 48 Cb 0.52 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2nuf h ASN 48 CO 0.03 0.48 0.30 0.15 -1.29 0.00 0.00 177.43 177.10 2nuf h PHE 49 N 0.92 0.99 -0.32 0.67 3.57 -0.71 -0.34 116.94 121.72 2nuf h PHE 49 Ca 0.41 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 2nuf h PHE 49 Cb 0.30 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2nuf h PHE 49 CO -0.04 0.76 0.11 0.74 -2.23 0.00 0.00 178.31 177.65 2nuf h PHE 50 N 0.94 0.51 0.15 0.41 0.04 -0.47 -0.04 116.94 118.48 2nuf h PHE 50 Ca 0.23 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2nuf h PHE 50 Cb 0.16 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2nuf h PHE 50 CO 0.01 0.51 -0.07 0.82 -0.60 0.00 0.00 178.31 178.97 2nuf h ILE 51 N 0.37 0.87 -0.87 -0.55 1.08 -1.08 -2.55 117.51 114.77 2nuf h ILE 51 Ca 0.11 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2nuf h ILE 51 Cb 0.23 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 2nuf h ILE 51 CO -0.00 0.01 0.56 0.58 -0.69 0.00 0.00 178.15 178.61 2nuf h VAL 52 N -0.23 1.12 -0.50 1.67 2.07 -0.99 0.01 116.25 119.40 2nuf h VAL 52 Ca -0.02 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2nuf h VAL 52 Cb 0.17 -0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 29.83 2nuf h VAL 52 CO 0.03 0.19 0.05 -0.78 0.02 0.00 0.00 177.57 177.09 2nuf h ASP 53 N 1.07 -0.11 0.02 0.57 3.58 -0.60 -1.98 116.42 118.97 2nuf h ASP 53 Ca 0.36 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.91 2nuf h ASP 53 Cb 0.05 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2nuf h ASP 53 CO -0.13 -0.02 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.12 2nuf h LEU 54 N 0.17 -0.02 -0.88 2.28 3.38 -1.08 -3.10 115.31 116.06 2nuf h LEU 54 Ca 0.25 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 58.00 2nuf h LEU 54 Cb 0.36 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.97 2nuf h LEU 54 CO -0.37 0.44 0.18 0.25 0.09 0.00 0.00 178.44 179.03 2nuf h LEU 55 N -0.50 -0.11 -1.21 1.67 5.85 -0.71 0.65 115.31 120.96 2nuf h LEU 55 Ca -0.00 0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2nuf h LEU 55 Cb 0.47 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2nuf h LEU 55 CO 0.00 -0.19 -0.37 0.58 -0.34 0.00 0.00 178.44 178.13 2nuf h VAL 56 N 0.16 1.27 0.21 1.05 2.07 -1.40 0.18 116.25 119.79 2nuf h VAL 56 Ca 0.54 -1.30 -0.32 0.00 0.82 0.00 0.00 66.70 66.44 2nuf h VAL 56 Cb 1.09 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2nuf h VAL 56 CO -0.69 0.38 -1.50 1.56 0.02 0.00 0.00 177.57 177.33 2nuf h GLN 57 N 0.04 0.44 0.00 1.57 4.20 0.27 -3.41 115.11 118.22 2nuf h GLN 57 Ca 0.00 -0.75 0.00 0.00 0.06 0.00 0.00 58.65 57.96 2nuf h GLN 57 Cb 0.67 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2nuf h GLN 57 CO 0.05 1.36 -1.47 0.66 -0.67 0.00 0.00 178.83 178.76 2nuf n TYR 58 N -3.74 0.00 -1.50 2.96 4.01 0.16 -5.00 117.16 114.05 2nuf n TYR 58 Ca -0.20 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.07 2nuf n TYR 58 Cb 1.05 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.79 2nuf n TYR 58 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2nuf n SER 59 N -1.87 0.14 -0.05 7.72 2.88 0.05 -4.86 113.62 117.62 2nuf n SER 59 Ca -0.02 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.54 2nuf n SER 59 Cb 0.35 -1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 62.60 2nuf n SER 59 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2nuf h PRO 60 N 1.62 0.44 -5.11 -1.46 0.13 -1.89 -3.43 132.00 122.30 2nuf h PRO 60 Ca -0.35 -0.30 -0.65 0.00 -0.87 0.00 0.00 66.00 63.84 2nuf h PRO 60 Cb 1.39 0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.31 2nuf h PRO 60 CO 0.59 0.91 -0.68 1.21 -0.23 0.00 0.00 178.00 179.80 2nuf s ASN 61 N -6.40 4.64 -0.47 1.44 3.84 -1.26 -5.02 114.94 111.72 2nuf s ASN 61 Ca -0.14 -0.26 0.03 0.00 0.21 0.00 0.00 52.86 52.71 2nuf s ASN 61 Cb 0.05 -1.79 0.54 0.00 -0.55 0.00 0.00 41.25 39.51 2nuf s ASN 61 CO 0.79 0.05 1.78 0.29 -2.79 0.00 0.00 177.10 177.22 2nuf n LYS 62 N 4.33 2.43 -2.97 0.43 5.02 -1.26 -4.59 118.16 121.55 2nuf n LYS 62 Ca -0.17 -3.26 -0.36 0.00 -2.02 0.00 0.00 58.31 52.50 2nuf n LYS 62 Cb 0.52 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 33.32 2nuf n LYS 62 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nuf s ARG 63 N -3.49 4.34 0.25 1.97 0.52 -1.26 -4.91 118.95 116.38 2nuf s ARG 63 Ca 0.56 1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 56.77 2nuf s ARG 63 Cb 0.47 -2.76 0.43 0.00 0.52 0.00 0.00 34.95 33.61 2nuf s ARG 63 CO 0.04 0.30 1.81 0.93 0.02 0.00 0.00 175.30 178.40 2nuf h GLU 64 N 3.12 0.80 0.00 3.54 5.08 -1.98 0.37 114.58 125.50 2nuf h GLU 64 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2nuf h GLU 64 Cb 1.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2nuf h GLU 64 CO 0.65 0.53 0.00 0.78 -1.00 0.00 0.00 179.01 179.97 2nuf h GLY 65 N 0.82 0.00 0.00 -3.84 0.00 -1.99 -2.30 103.07 95.76 2nuf h GLY 65 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.38 2nuf h GLY 65 CO -0.26 0.00 -2.03 0.33 0.00 0.00 0.00 176.54 174.58 2nuf n PHE 66 N -2.88 0.38 -0.25 5.60 7.35 -0.42 -4.39 117.46 122.84 2nuf n PHE 66 Ca -0.00 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2nuf n PHE 66 Cb 0.22 -1.02 0.13 0.00 0.35 0.00 0.00 39.48 39.15 2nuf n PHE 66 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2nuf h LEU 67 N -1.00 0.57 0.22 -2.13 3.38 -0.98 -2.26 115.31 113.12 2nuf h LEU 67 Ca -0.56 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2nuf h LEU 67 Cb 1.48 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2nuf h LEU 67 CO -0.34 0.35 -0.11 0.28 0.09 0.00 0.00 178.44 178.71 2nuf h SER 68 N 0.70 -0.25 -0.87 -0.43 0.02 -1.65 0.16 113.55 111.23 2nuf h SER 68 Ca 0.34 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2nuf h SER 68 Cb 0.28 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2nuf h SER 68 CO -0.22 -0.07 0.57 -0.65 -1.14 0.00 0.00 176.83 175.32 2nuf h PRO 69 N -0.43 1.10 -0.07 3.45 0.11 -1.75 0.15 132.00 134.57 2nuf h PRO 69 Ca -0.03 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2nuf h PRO 69 Cb 0.33 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 2nuf h PRO 69 CO 0.05 0.73 -0.03 1.25 -0.21 0.00 0.00 178.00 179.78 2nuf h LEU 70 N 1.13 0.14 -1.13 2.35 5.85 -1.36 -2.61 115.31 119.69 2nuf h LEU 70 Ca 0.34 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2nuf h LEU 70 Cb -0.05 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2nuf h LEU 70 CO -0.10 0.53 0.60 0.50 -0.34 0.00 0.00 178.44 179.63 2nuf h LYS 71 N -0.24 1.05 -0.93 1.25 3.11 -0.39 -0.46 116.57 119.96 2nuf h LYS 71 Ca 0.01 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2nuf h LYS 71 Cb 0.48 -0.24 -0.05 0.00 -1.00 0.00 0.00 32.23 31.42 2nuf h LYS 71 CO 0.01 0.70 0.61 0.00 -2.81 0.00 0.00 179.45 177.96 2nuf h ALA 72 N 1.49 1.38 0.07 5.00 0.00 -0.82 -2.00 119.26 124.38 2nuf h ALA 72 Ca 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2nuf h ALA 72 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2nuf h ALA 72 CO -0.13 0.54 -0.03 -0.92 0.00 0.00 0.00 179.25 178.71 2nuf h TYR 73 N 1.20 -0.09 0.00 0.00 3.20 -0.84 -2.69 116.97 117.76 2nuf h TYR 73 Ca 0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2nuf h TYR 73 Cb -0.04 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2nuf h TYR 73 CO -0.00 0.48 0.10 1.28 -1.64 0.00 0.00 178.16 178.38 2nuf n LEU 74 N -4.83 0.44 -0.41 2.82 4.77 -0.30 -0.52 117.00 118.97 2nuf n LEU 74 Ca -0.08 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 2nuf n LEU 74 Cb 0.30 -0.69 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2nuf n LEU 74 CO 0.29 -0.82 0.35 -0.38 -1.33 0.00 0.00 177.39 175.51 2nuf n ILE 75 N -2.12 0.00 -2.15 -0.08 2.08 -0.77 -4.82 119.36 111.50 2nuf n ILE 75 Ca -0.01 -0.45 -0.32 0.00 0.56 0.00 0.00 62.75 62.53 2nuf n ILE 75 Cb 0.13 1.21 -0.01 0.00 -0.75 0.00 0.00 39.64 40.22 2nuf n ILE 75 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2nuf s SER 76 N -1.27 6.26 0.15 4.38 1.04 0.32 -4.89 113.70 119.69 2nuf s SER 76 Ca 0.13 1.60 -0.27 0.00 0.48 0.00 0.00 55.95 57.89 2nuf s SER 76 Cb 0.10 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 2nuf s SER 76 CO 0.22 -0.84 1.58 -0.08 0.98 0.00 0.00 173.24 175.10 2nuf h GLU 77 N 0.44 -0.35 -0.90 4.02 4.81 -1.91 -0.14 114.58 120.56 2nuf h GLU 77 Ca -0.46 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2nuf h GLU 77 Cb 1.20 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.49 2nuf h GLU 77 CO 0.60 -0.23 -0.05 1.49 -0.73 0.00 0.00 179.01 180.09 2nuf h GLU 78 N -0.36 0.04 -0.05 1.92 4.81 -1.91 0.29 114.58 119.33 2nuf h GLU 78 Ca 0.13 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2nuf h GLU 78 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2nuf h GLU 78 CO -0.51 0.03 -0.59 0.35 -0.73 0.00 0.00 179.01 177.55 2nuf h PHE 79 N 0.04 0.20 0.00 0.92 3.57 -1.30 -3.10 116.94 117.27 2nuf h PHE 79 Ca 0.50 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 2nuf h PHE 79 Cb 0.92 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2nuf h PHE 79 CO -0.53 0.70 -0.20 0.74 -2.23 0.00 0.00 178.31 176.79 2nuf h PHE 80 N 0.12 0.00 -0.19 0.41 0.04 0.93 -2.80 116.94 115.45 2nuf h PHE 80 Ca -0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2nuf h PHE 80 Cb 1.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 2nuf h PHE 80 CO 0.01 0.20 -0.49 -0.91 -0.60 0.00 0.00 178.31 176.52 2nuf h ASN 81 N 0.00 0.56 -0.39 2.17 2.35 -1.04 0.05 115.58 119.28 2nuf h ASN 81 Ca -0.00 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 2nuf h ASN 81 Cb 0.94 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2nuf h ASN 81 CO 0.03 0.96 -0.14 0.25 -1.65 0.00 0.00 177.43 176.87 2nuf h LEU 82 N 0.41 0.80 -0.62 1.61 7.12 -1.50 -2.81 115.31 120.32 2nuf h LEU 82 Ca 0.02 -0.39 -0.15 0.00 0.13 0.00 0.00 57.88 57.49 2nuf h LEU 82 Cb 1.01 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 2nuf h LEU 82 CO 0.09 1.01 -0.65 -0.07 -0.13 0.00 0.00 178.44 178.69 2nuf h LEU 83 N 0.60 0.19 -0.11 2.25 3.38 -1.41 -3.17 115.31 117.04 2nuf h LEU 83 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2nuf h LEU 83 Cb 0.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2nuf h LEU 83 CO 0.05 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.36 2nuf n ALA 84 N -2.45 2.00 0.02 1.53 0.00 -0.01 -3.52 120.51 118.07 2nuf n ALA 84 Ca -0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 2nuf n ALA 84 Cb 0.65 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2nuf n ALA 84 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2nuf h GLN 85 N 0.00 0.06 -0.18 0.00 4.20 -1.47 -1.70 115.11 116.03 2nuf h GLN 85 Ca 0.00 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2nuf h GLN 85 Cb 0.43 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2nuf h GLN 85 CO 0.00 0.06 0.67 -0.22 -0.67 0.00 0.00 178.83 178.68 2nuf h LYS 86 N 0.05 0.00 -0.01 1.46 3.64 -1.77 0.23 116.57 120.16 2nuf h LYS 86 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2nuf h LYS 86 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2nuf h LYS 86 CO -0.00 0.00 -0.45 1.28 -2.27 0.00 0.00 179.45 178.01 2nuf n LEU 87 N -2.91 1.61 -3.96 5.20 4.77 -0.65 -5.02 117.00 116.03 2nuf n LEU 87 Ca 0.03 -0.72 -0.31 0.00 -0.03 0.00 0.00 56.01 54.97 2nuf n LEU 87 Cb 0.75 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2nuf n LEU 87 CO 0.12 0.31 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.65 2nuf n GLU 88 N -0.29 -1.94 0.27 3.23 1.02 0.07 -4.84 120.64 118.16 2nuf n GLU 88 Ca 0.07 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2nuf n GLU 88 Cb 0.36 -3.96 0.75 0.00 -0.02 0.00 0.00 31.44 28.57 2nuf n GLU 88 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2nuf h LEU 89 N -1.98 0.00 -1.62 -4.62 3.38 -1.85 -3.02 115.31 105.61 2nuf h LEU 89 Ca -0.66 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.54 2nuf h LEU 89 Cb 1.38 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 2nuf h LEU 89 CO 0.59 0.09 0.62 1.12 0.09 0.00 0.00 178.44 180.94 2nuf h HIS 90 N 0.00 0.41 -0.01 1.13 2.07 -1.93 -0.49 115.15 116.34 2nuf h HIS 90 Ca -0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2nuf h HIS 90 Cb 0.22 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.08 2nuf h HIS 90 CO 0.00 0.10 -0.06 0.36 -3.07 0.00 0.00 177.93 175.26 2nuf n LYS 91 N -4.46 1.19 -0.03 5.12 2.85 -1.14 -4.09 118.16 117.60 2nuf n LYS 91 Ca 0.20 -0.53 -0.03 0.00 -1.05 0.00 0.00 58.31 56.89 2nuf n LYS 91 Cb 0.79 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.62 2nuf n LYS 91 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2nuf n PHE 92 N -0.44 0.00 -1.71 5.58 3.72 -0.27 -5.03 117.46 119.31 2nuf n PHE 92 Ca 0.18 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 2nuf n PHE 92 Cb 0.29 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.51 2nuf n PHE 92 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2nuf n ILE 93 N -2.23 2.53 -3.80 4.37 5.41 -0.75 -4.94 119.36 119.94 2nuf n ILE 93 Ca -0.11 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.78 2nuf n ILE 93 Cb 0.70 -1.62 -0.13 0.00 -0.71 0.00 0.00 39.64 37.88 2nuf n ILE 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nuf s ARG 94 N -2.21 2.90 -0.01 0.38 0.52 -0.14 -5.02 118.95 115.38 2nuf s ARG 94 Ca 0.60 -0.97 -0.02 0.00 -0.52 0.00 0.00 55.73 54.81 2nuf s ARG 94 Cb -0.50 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 2nuf s ARG 94 CO 0.58 -0.49 0.05 -1.50 0.02 0.00 0.00 175.30 173.96 2nuf s ILE 95 N 1.43 0.05 -0.24 1.52 2.07 -1.26 -2.09 121.20 122.68 2nuf s ILE 95 Ca 0.01 -0.38 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 2nuf s ILE 95 Cb -0.18 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 2nuf s ILE 95 CO 0.01 -0.21 0.11 -0.75 -1.91 0.00 0.00 174.94 172.19 2nuf s LYS 96 N -0.64 3.87 -0.67 3.50 2.47 -1.26 -4.60 119.74 122.40 2nuf s LYS 96 Ca -0.07 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 2nuf s LYS 96 Cb -0.04 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.93 2nuf s LYS 96 CO 0.00 -0.02 0.00 2.89 0.16 0.00 0.00 175.35 178.38 2nuf n ARG 97 N 4.48 -1.16 -3.70 4.03 1.85 -1.26 -4.71 116.66 116.18 2nuf n ARG 97 Ca -0.16 0.38 -0.22 0.00 -1.00 0.00 0.00 57.85 56.85 2nuf n ARG 97 Cb 0.52 -4.50 -0.04 0.00 -1.05 0.00 0.00 32.46 27.39 2nuf n ARG 97 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2nuf s GLY 98 N -1.55 2.20 -0.16 2.89 0.00 -1.26 -5.11 107.32 104.33 2nuf s GLY 98 Ca 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 44.72 42.83 2nuf s GLY 98 CO 0.00 -1.77 -0.14 1.25 0.00 0.00 0.00 173.10 172.44 2nuf s LYS 99 N -4.10 3.23 -1.00 2.90 2.20 -1.26 -5.01 119.74 116.70 2nuf s LYS 99 Ca 0.46 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 55.08 2nuf s LYS 99 Cb -0.02 -2.67 -0.12 0.00 -1.51 0.00 0.00 37.83 33.52 2nuf s LYS 99 CO 0.26 -0.01 2.07 0.42 -0.36 0.00 0.00 175.35 177.74 2nuf s ILE 100 N 0.89 3.30 0.44 5.43 1.01 -1.26 -4.91 121.20 126.09 2nuf s ILE 100 Ca -0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2nuf s ILE 100 Cb -0.15 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.45 2nuf s ILE 100 CO -0.01 -0.58 0.60 -0.46 0.00 0.00 0.00 174.94 174.49 2nuf n ASN 101 N 16.32 0.12 0.10 3.58 0.23 -1.26 -4.89 115.26 129.46 2nuf n ASN 101 Ca 0.43 -1.26 0.12 0.00 -0.53 0.00 0.00 54.58 53.34 2nuf n ASN 101 Cb 0.46 -0.45 0.46 0.00 -2.08 0.00 0.00 39.78 38.16 2nuf n ASN 101 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2nuf n GLU 102 N -2.25 0.19 0.03 -3.83 4.71 -1.26 -2.58 120.64 115.65 2nuf n GLU 102 Ca 0.08 0.31 -0.19 0.00 -0.01 0.00 0.00 57.16 57.34 2nuf n GLU 102 Cb 0.27 -1.80 -0.14 0.00 -1.01 0.00 0.00 31.44 28.76 2nuf n GLU 102 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2nuf h THR 103 N 0.00 1.51 0.75 2.62 2.02 -1.96 -3.04 112.91 114.81 2nuf h THR 103 Ca 0.00 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 2nuf h THR 103 Cb 0.50 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 2nuf h THR 103 CO 0.00 0.70 -0.48 0.40 0.37 0.00 0.00 175.52 176.51 2nuf h ILE 104 N -0.45 0.03 -0.74 3.11 1.08 -1.90 -2.23 117.51 116.43 2nuf h ILE 104 Ca -0.14 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.50 2nuf h ILE 104 Cb 1.57 0.03 -0.12 0.00 -3.07 0.00 0.00 36.82 35.24 2nuf h ILE 104 CO 0.13 0.00 0.08 0.40 -0.69 0.00 0.00 178.15 178.07 2nuf h ILE 105 N -1.17 0.42 -0.87 -0.67 2.04 -1.64 0.30 117.51 115.91 2nuf h ILE 105 Ca -0.10 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.77 2nuf h ILE 105 Cb 0.94 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2nuf h ILE 105 CO 0.09 0.03 0.54 1.23 0.00 0.00 0.00 178.15 180.04 2nuf h GLY 106 N 0.17 1.32 1.28 5.37 0.00 -1.39 0.47 103.07 110.29 2nuf h GLY 106 Ca 0.41 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 2nuf h GLY 106 CO -0.59 0.26 -0.52 -0.55 0.00 0.00 0.00 176.54 175.14 2nuf h ASP 107 N 0.98 0.84 0.06 0.19 3.32 0.13 -2.76 116.42 119.18 2nuf h ASP 107 Ca 0.39 -0.44 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 2nuf h ASP 107 Cb 0.20 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2nuf h ASP 107 CO -0.18 1.20 -0.51 0.58 -1.72 0.00 0.00 179.24 178.61 2nuf h VAL 108 N 0.60 1.32 0.17 -1.35 2.07 -0.76 -0.25 116.25 118.04 2nuf h VAL 108 Ca 0.02 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 65.81 2nuf h VAL 108 Cb 1.09 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2nuf h VAL 108 CO 0.11 0.54 -0.25 0.15 0.02 0.00 0.00 177.57 178.14 2nuf h PHE 109 N 0.39 -0.65 -0.29 1.57 3.57 -0.84 0.69 116.94 121.38 2nuf h PHE 109 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2nuf h PHE 109 Cb 1.02 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2nuf h PHE 109 CO 0.04 -0.35 0.16 0.93 -2.23 0.00 0.00 178.31 176.86 2nuf h GLU 110 N -0.48 0.40 -0.56 1.11 5.08 -1.41 -2.46 114.58 116.27 2nuf h GLU 110 Ca 0.01 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2nuf h GLU 110 Cb 0.48 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2nuf h GLU 110 CO -0.10 0.34 0.37 0.00 -1.00 0.00 0.00 179.01 178.62 2nuf h ALA 111 N 1.04 1.61 -1.00 3.43 0.00 -0.60 -2.10 119.26 121.64 2nuf h ALA 111 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2nuf h ALA 111 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2nuf h ALA 111 CO -0.02 0.36 0.66 -0.07 0.00 0.00 0.00 179.25 180.18 2nuf h LEU 112 N 0.75 1.15 -0.77 0.00 3.38 0.86 -0.74 115.31 119.94 2nuf h LEU 112 Ca 0.21 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2nuf h LEU 112 Cb -0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2nuf h LEU 112 CO -0.05 0.84 -0.57 -0.50 0.09 0.00 0.00 178.44 178.25 2nuf h TRP 113 N 1.36 0.17 -0.45 1.13 4.06 -1.23 -2.01 115.95 118.98 2nuf h TRP 113 Ca 0.36 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 61.16 2nuf h TRP 113 Cb -0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2nuf h TRP 113 CO 0.00 0.67 -0.10 0.00 -3.56 0.00 0.00 178.44 175.46 2nuf h ALA 114 N 1.31 0.61 -0.68 1.49 0.00 -1.07 -2.48 119.26 118.45 2nuf h ALA 114 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2nuf h ALA 114 Cb 1.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2nuf h ALA 114 CO 0.08 0.49 0.38 0.00 0.00 0.00 0.00 179.25 180.20 2nuf h ALA 115 N 0.87 0.91 -0.10 0.00 0.00 -0.87 -0.89 119.26 119.18 2nuf h ALA 115 Ca 0.11 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2nuf h ALA 115 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2nuf h ALA 115 CO 0.04 0.06 -0.58 0.28 0.00 0.00 0.00 179.25 179.05 2nuf h VAL 116 N 0.70 1.36 0.62 0.00 2.07 -1.31 -2.08 116.25 117.61 2nuf h VAL 116 Ca 0.30 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 2nuf h VAL 116 Cb 0.19 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2nuf h VAL 116 CO -0.18 0.57 -0.30 0.22 0.02 0.00 0.00 177.57 177.90 2nuf h TYR 117 N 0.24 -0.77 -0.03 1.57 3.20 -0.89 -0.82 116.97 119.47 2nuf h TYR 117 Ca -0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2nuf h TYR 117 Cb 1.09 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 2nuf h TYR 117 CO 0.03 -0.45 -0.11 0.82 -1.64 0.00 0.00 178.16 176.81 2nuf h ILE 118 N -0.92 0.71 -0.39 1.81 2.04 -1.24 0.14 117.51 119.66 2nuf h ILE 118 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2nuf h ILE 118 Cb 0.67 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2nuf h ILE 118 CO 0.14 0.00 0.27 -0.78 0.00 0.00 0.00 178.15 177.78 2nuf h ASP 119 N -0.18 0.20 -0.13 1.72 3.58 -1.35 0.15 116.42 120.42 2nuf h ASP 119 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2nuf h ASP 119 Cb 0.25 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2nuf h ASP 119 CO -0.14 0.13 0.00 -1.54 -2.88 0.00 0.00 179.24 174.81 2nuf n SER 120 N -4.47 2.07 -0.88 2.28 3.41 -0.32 -4.80 113.62 110.91 2nuf n SER 120 Ca 0.05 -2.21 -0.09 0.00 -0.26 0.00 0.00 58.87 56.37 2nuf n SER 120 Cb 0.30 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 2nuf n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nuf n GLY 121 N 0.15 0.32 2.72 5.00 0.00 0.52 -3.43 105.19 110.46 2nuf n GLY 121 Ca 0.06 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 2nuf n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuf n ARG 122 N -2.10 -4.72 -3.26 1.61 1.74 0.44 -5.00 116.66 105.38 2nuf n ARG 122 Ca -0.10 0.58 -0.44 0.00 -0.77 0.00 0.00 57.85 57.12 2nuf n ARG 122 Cb 0.49 -4.82 -0.07 0.00 -1.02 0.00 0.00 32.46 27.05 2nuf n ARG 122 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2nuf s ASP 123 N -3.81 6.19 0.18 0.55 -1.08 -1.21 -4.95 116.67 112.54 2nuf s ASP 123 Ca 0.07 -1.15 -0.02 0.00 -0.52 0.00 0.00 52.55 50.93 2nuf s ASP 123 Cb -0.03 -2.24 0.08 0.00 -1.46 0.00 0.00 42.92 39.27 2nuf s ASP 123 CO 0.50 -0.80 1.46 0.00 0.52 0.00 0.00 175.17 176.85 2nuf h ALA 124 N 8.90 0.63 -0.15 3.66 0.00 -1.93 -2.94 119.26 127.43 2nuf h ALA 124 Ca -0.28 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 2nuf h ALA 124 Cb 1.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2nuf h ALA 124 CO 0.94 0.73 -0.09 -0.91 0.00 0.00 0.00 179.25 179.92 2nuf h ASN 125 N 0.32 0.33 -0.26 0.00 2.35 -1.98 -1.06 115.58 115.28 2nuf h ASN 125 Ca -0.02 -0.43 0.03 0.00 -0.55 0.00 0.00 56.30 55.33 2nuf h ASN 125 Cb 1.23 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 2nuf h ASN 125 CO 0.12 0.69 0.10 0.15 -1.65 0.00 0.00 177.43 176.84 2nuf h PHE 126 N -0.03 0.18 -0.37 1.19 3.57 -2.00 0.13 116.94 119.62 2nuf h PHE 126 Ca 0.03 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2nuf h PHE 126 Cb 0.57 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2nuf h PHE 126 CO 0.07 0.09 -0.13 1.15 -2.23 0.00 0.00 178.31 177.26 2nuf h THR 127 N 0.23 1.25 -0.17 4.41 2.02 -1.53 0.11 112.91 119.22 2nuf h THR 127 Ca 0.11 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2nuf h THR 127 Cb 0.07 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2nuf h THR 127 CO -0.11 0.38 -0.19 -0.09 0.37 0.00 0.00 175.52 175.89 2nuf h ARG 128 N 0.60 0.29 -0.15 6.66 2.43 -0.60 -2.01 114.38 121.60 2nuf h ARG 128 Ca 0.10 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2nuf h ARG 128 Cb 0.57 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2nuf h ARG 128 CO 0.04 0.48 -0.26 0.93 -1.51 0.00 0.00 179.97 179.64 2nuf h GLU 129 N 0.27 0.45 -0.55 0.20 5.08 0.38 -1.83 114.58 118.57 2nuf h GLU 129 Ca 0.05 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2nuf h GLU 129 Cb 0.49 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2nuf h GLU 129 CO 0.03 0.87 0.30 -0.07 -1.00 0.00 0.00 179.01 179.14 2nuf h LEU 130 N 0.06 0.45 -0.29 1.33 3.38 -0.83 -0.10 115.31 119.32 2nuf h LEU 130 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2nuf h LEU 130 Cb 0.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2nuf h LEU 130 CO 0.06 0.30 0.15 0.15 0.09 0.00 0.00 178.44 179.19 2nuf h PHE 131 N 0.58 0.40 -0.39 1.13 3.04 -1.35 -2.59 116.94 117.76 2nuf h PHE 131 Ca 0.24 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.08 2nuf h PHE 131 Cb 0.12 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 2nuf h PHE 131 CO -0.09 0.35 -0.15 1.88 -2.02 0.00 0.00 178.31 178.29 2nuf h TYR 132 N 0.34 0.80 -0.01 0.41 0.05 -1.12 0.38 116.97 117.82 2nuf h TYR 132 Ca 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2nuf h TYR 132 Cb 0.09 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 2nuf h TYR 132 CO -0.03 0.82 0.01 -0.22 -1.05 0.00 0.00 178.16 177.70 2nuf h LYS 133 N 0.65 0.00 0.00 4.88 3.64 -0.75 -1.48 116.57 123.51 2nuf h LYS 133 Ca 0.11 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.31 2nuf h LYS 133 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2nuf h LYS 133 CO 0.04 0.00 -2.02 1.28 -2.27 0.00 0.00 179.45 176.48 2nuf n LEU 134 N -4.04 0.00 0.00 5.20 4.77 -0.87 -4.83 117.00 117.23 2nuf n LEU 134 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2nuf n LEU 134 Cb 0.10 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2nuf n LEU 134 CO 0.29 0.24 0.01 0.49 -1.33 0.00 0.00 177.39 177.09 2nuf n PHE 135 N -2.42 0.00 -0.16 -1.77 3.72 0.13 -4.86 117.46 112.10 2nuf n PHE 135 Ca -0.17 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.19 2nuf n PHE 135 Cb 0.81 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.37 2nuf n PHE 135 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2nuf h LYS 136 N 0.00 -0.11 -0.20 -1.08 3.64 -1.41 -0.42 116.57 116.99 2nuf h LYS 136 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2nuf h LYS 136 Cb 0.03 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 2nuf h LYS 136 CO 0.00 -0.07 -0.25 1.49 -2.27 0.00 0.00 179.45 178.34 2nuf h GLU 137 N -0.12 -0.28 -0.51 1.90 4.81 -1.89 0.82 114.58 119.31 2nuf h GLU 137 Ca 0.23 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 2nuf h GLU 137 Cb 0.48 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 2nuf h GLU 137 CO -0.58 -0.18 0.25 -0.44 -0.73 0.00 0.00 179.01 177.32 2nuf h ASP 138 N -0.29 0.35 -0.28 1.04 3.32 -1.70 -0.68 116.42 118.17 2nuf h ASP 138 Ca 0.12 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 2nuf h ASP 138 Cb 0.47 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2nuf h ASP 138 CO -0.36 0.24 -0.19 0.40 -1.72 0.00 0.00 179.24 177.61 2nuf h ILE 139 N 0.49 1.30 -0.60 0.35 2.04 -0.26 -1.59 117.51 119.23 2nuf h ILE 139 Ca 0.23 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.80 2nuf h ILE 139 Cb 0.16 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2nuf h ILE 139 CO -0.17 0.42 0.40 -0.07 0.00 0.00 0.00 178.15 178.73 2nuf h LEU 140 N 0.37 0.63 -0.05 1.44 4.07 0.10 -0.45 115.31 121.43 2nuf h LEU 140 Ca 0.06 -0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.75 2nuf h LEU 140 Cb 0.73 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.33 2nuf h LEU 140 CO 0.05 0.44 -1.04 0.77 -1.08 0.00 0.00 178.44 177.58 2nuf h SER 141 N 0.74 0.73 -0.40 -0.43 4.64 -1.01 -1.78 113.55 116.04 2nuf h SER 141 Ca 0.24 -0.60 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2nuf h SER 141 Cb 0.03 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2nuf h SER 141 CO -0.06 1.41 0.23 0.00 -0.87 0.00 0.00 176.83 177.54 2nuf h ALA 142 N 0.54 1.60 -0.10 5.18 0.00 -0.50 -2.02 119.26 123.95 2nuf h ALA 142 Ca -0.12 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2nuf h ALA 142 Cb 1.70 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.32 2nuf h ALA 142 CO 0.19 0.34 -0.56 0.82 0.00 0.00 0.00 179.25 180.04 2nuf h ILE 143 N 0.59 1.36 -0.83 0.00 2.04 -1.07 -2.37 117.51 117.22 2nuf h ILE 143 Ca 0.15 -1.87 0.09 0.00 1.00 0.00 0.00 64.86 64.23 2nuf h ILE 143 Cb 0.03 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 2nuf h ILE 143 CO -0.02 0.56 0.54 0.50 0.00 0.00 0.00 178.15 179.73 2nuf h LYS 144 N 0.17 0.80 -0.44 2.37 3.64 -0.64 -1.73 116.57 120.74 2nuf h LYS 144 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2nuf h LYS 144 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2nuf h LYS 144 CO 0.11 0.53 0.00 -0.85 -2.27 0.00 0.00 179.45 176.98 2nuf n GLU 145 N -4.51 3.84 -1.74 1.90 0.28 -0.83 -5.02 120.64 114.55 2nuf n GLU 145 Ca 0.14 -2.94 -0.37 0.00 -0.16 0.00 0.00 57.16 53.82 2nuf n GLU 145 Cb 0.29 -1.99 0.06 0.00 1.43 0.00 0.00 31.44 31.23 2nuf n GLU 145 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2nuf s GLY 146 N -1.29 2.87 -0.24 -1.84 0.00 -0.65 -5.04 107.32 101.12 2nuf s GLY 146 Ca 0.47 1.26 -0.12 0.00 0.00 0.00 0.00 44.72 46.33 2nuf s GLY 146 CO 0.14 1.71 0.57 -1.60 0.00 0.00 0.00 173.10 173.92 2nuf s ARG 147 N -3.26 0.55 -0.11 2.90 3.52 -1.26 -5.07 118.95 116.22 2nuf s ARG 147 Ca 0.80 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 57.24 2nuf s ARG 147 Cb -0.39 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2nuf s ARG 147 CO 0.42 -0.18 1.16 0.08 -0.81 0.00 0.00 175.30 175.98 2nuf s VAL 148 N 1.96 4.40 -0.86 7.11 1.01 -1.26 -4.96 120.40 127.80 2nuf s VAL 148 Ca -0.08 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2nuf s VAL 148 Cb -0.08 -4.10 0.21 0.00 0.00 0.00 0.00 36.38 32.41 2nuf s VAL 148 CO -0.17 -0.05 0.74 -1.59 0.00 0.00 0.00 175.10 174.02 2nuf s LYS 149 N 2.59 3.17 0.33 2.72 0.00 -1.26 -5.07 119.74 122.21 2nuf s LYS 149 Ca 0.53 -3.23 -0.28 0.00 0.00 0.00 0.00 55.97 52.99 2nuf s LYS 149 Cb -0.22 -3.90 -0.12 0.00 0.00 0.00 0.00 37.83 33.58 2nuf s LYS 149 CO 0.18 -1.26 1.33 1.63 0.00 0.00 0.00 175.35 177.23 2nuf n LYS 150 N 2.39 2.19 -2.52 1.78 5.02 -1.26 -4.99 118.16 120.77 2nuf n LYS 150 Ca 0.20 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.97 2nuf n LYS 150 Cb 0.37 -2.38 -0.01 0.00 -0.02 0.00 0.00 35.03 32.99 2nuf n LYS 150 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2nuf s ASP 151 N -0.18 6.37 0.20 4.39 -4.77 -1.26 -4.87 116.67 116.55 2nuf s ASP 151 Ca 0.57 1.15 -0.17 0.00 -3.30 0.00 0.00 52.55 50.81 2nuf s ASP 151 Cb -0.57 -2.34 0.18 0.00 -1.09 0.00 0.00 42.92 39.10 2nuf s ASP 151 CO 0.60 -0.58 1.62 1.88 0.70 0.00 0.00 175.17 179.39 2nuf h TYR 152 N 0.50 -0.53 -0.61 2.11 0.05 -1.94 -1.07 116.97 115.48 2nuf h TYR 152 Ca -0.46 0.06 0.10 0.00 0.05 0.00 0.00 58.73 58.47 2nuf h TYR 152 Cb 1.19 0.32 -0.07 0.00 1.01 0.00 0.00 36.73 39.18 2nuf h TYR 152 CO 0.61 -0.31 0.23 0.87 -1.05 0.00 0.00 178.16 178.51 2nuf h LYS 153 N -0.08 0.40 -0.15 4.88 1.57 -1.90 0.12 116.57 121.41 2nuf h LYS 153 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2nuf h LYS 153 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2nuf h LYS 153 CO -0.62 0.26 0.07 1.15 -0.57 0.00 0.00 179.45 179.74 2nuf h THR 154 N 0.41 1.15 0.22 -0.16 2.02 -1.68 -1.37 112.91 113.50 2nuf h THR 154 Ca 0.31 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2nuf h THR 154 Cb 0.39 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2nuf h THR 154 CO -0.31 0.14 -0.27 0.40 0.37 0.00 0.00 175.52 175.84 2nuf h ILE 155 N 0.10 0.00 -0.66 3.11 2.04 -0.46 -1.18 117.51 120.47 2nuf h ILE 155 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.04 2nuf h ILE 155 Cb 0.15 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.11 2nuf h ILE 155 CO -0.01 0.00 -0.18 0.25 0.00 0.00 0.00 178.15 178.22 2nuf h LEU 156 N -0.51 -0.66 -1.63 1.44 5.85 -0.80 0.18 115.31 119.19 2nuf h LEU 156 Ca -0.03 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2nuf h LEU 156 Cb 0.45 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2nuf h LEU 156 CO -0.06 -0.23 0.33 -0.61 -0.34 0.00 0.00 178.44 177.53 2nuf h GLN 157 N -0.01 0.46 0.00 1.25 4.15 -1.07 -0.87 115.11 119.01 2nuf h GLN 157 Ca 0.31 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 2nuf h GLN 157 Cb 0.49 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2nuf h GLN 157 CO -0.68 0.30 -0.25 0.93 -1.93 0.00 0.00 178.83 177.20 2nuf h GLU 158 N 0.47 0.00 0.00 1.69 5.08 0.60 -2.57 114.58 119.85 2nuf h GLU 158 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2nuf h GLU 158 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2nuf h GLU 158 CO -0.05 0.25 -0.01 0.82 -1.00 0.00 0.00 179.01 179.02 2nuf h ILE 159 N 0.00 1.66 -0.09 3.13 2.04 -0.07 -2.82 117.51 121.36 2nuf h ILE 159 Ca -0.00 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.85 2nuf h ILE 159 Cb 1.14 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 2nuf h ILE 159 CO 0.03 0.50 -0.25 0.71 0.00 0.00 0.00 178.15 179.14 2nuf h THR 160 N -0.82 1.22 -0.03 -0.27 1.35 -1.34 0.22 112.91 113.24 2nuf h THR 160 Ca -0.00 -1.04 -0.17 0.00 -0.55 0.00 0.00 66.41 64.65 2nuf h THR 160 Cb 0.83 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 2nuf h THR 160 CO 0.00 0.31 -0.74 1.56 -0.25 0.00 0.00 175.52 176.40 2nuf h GLN 161 N 0.14 0.20 0.01 4.72 4.20 -1.18 0.10 115.11 123.30 2nuf h GLN 161 Ca 0.02 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 2nuf h GLN 161 Cb 0.53 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2nuf h GLN 161 CO 0.04 0.85 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.83 2nuf h LYS 162 N 0.13 -0.01 -0.03 1.46 3.64 -1.18 -0.52 116.57 120.06 2nuf h LYS 162 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2nuf h LYS 162 Cb 1.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2nuf h LYS 162 CO 0.11 0.60 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.77 2nuf h ARG 163 N -0.64 0.07 -0.00 1.90 2.43 -1.00 -3.39 114.38 113.75 2nuf h ARG 163 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2nuf h ARG 163 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2nuf h ARG 163 CO 0.00 0.55 -0.04 0.91 -1.51 0.00 0.00 179.97 179.88 2nuf n TRP 164 N -4.79 0.00 -2.95 2.20 7.02 0.20 -5.00 117.44 114.11 2nuf n TRP 164 Ca -0.08 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.25 2nuf n TRP 164 Cb 0.28 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.21 2nuf n TRP 164 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2nuf n LYS 165 N -0.71 -4.07 -4.10 -0.99 5.02 -0.20 -4.96 118.16 108.15 2nuf n LYS 165 Ca 0.00 0.57 -0.10 0.00 -2.02 0.00 0.00 58.31 56.76 2nuf n LYS 165 Cb 0.02 -4.76 -0.10 0.00 -0.02 0.00 0.00 35.03 30.17 2nuf n LYS 165 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nuf s GLU 166 N -5.54 0.63 0.04 1.97 2.02 -1.05 -4.90 118.70 111.88 2nuf s GLU 166 Ca 0.28 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 54.25 2nuf s GLU 166 Cb -0.12 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 2nuf s GLU 166 CO 0.34 -0.03 -0.06 1.03 0.02 0.00 0.00 175.26 176.56 2nuf s ARG 167 N -2.97 2.45 0.91 1.61 0.52 -1.26 -2.57 118.95 117.64 2nuf s ARG 167 Ca 0.01 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.29 2nuf s ARG 167 Cb 0.00 -2.46 0.14 0.00 0.52 0.00 0.00 34.95 33.15 2nuf s ARG 167 CO -0.04 0.57 1.09 -1.25 0.02 0.00 0.00 175.30 175.69 2nuf s PRO 168 N -1.78 1.12 0.10 3.54 0.04 -1.26 -4.91 135.00 131.85 2nuf s PRO 168 Ca 0.20 0.71 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2nuf s PRO 168 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2nuf s PRO 168 CO 0.11 -2.31 -0.13 -1.21 0.04 0.00 0.00 177.00 173.50 2nuf s GLU 169 N -4.97 2.01 -0.10 4.56 2.02 0.22 -4.92 118.70 117.52 2nuf s GLU 169 Ca 0.64 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2nuf s GLU 169 Cb -0.18 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.84 2nuf s GLU 169 CO 0.57 0.50 -0.08 0.71 0.02 0.00 0.00 175.26 176.98 2nuf s TYR 170 N -1.16 1.38 -0.02 1.61 2.02 -1.26 -0.92 117.35 119.02 2nuf s TYR 170 Ca 0.19 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2nuf s TYR 170 Cb -0.11 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2nuf s TYR 170 CO 0.12 -0.44 -0.19 -0.98 -1.57 0.00 0.00 175.55 172.49 2nuf s ARG 171 N 1.47 1.54 -0.03 -0.62 1.70 -0.56 -4.95 118.95 117.50 2nuf s ARG 171 Ca 0.00 -0.67 -0.30 0.00 -0.47 0.00 0.00 55.73 54.29 2nuf s ARG 171 Cb -0.13 -1.48 -0.04 0.00 -0.57 0.00 0.00 34.95 32.72 2nuf s ARG 171 CO -0.05 0.40 1.27 -1.17 -1.08 0.00 0.00 175.30 174.67 2nuf s LEU 172 N -0.43 4.30 -0.16 -1.89 2.96 -1.26 -1.27 118.68 120.93 2nuf s LEU 172 Ca 0.07 1.93 -0.03 0.00 -0.22 0.00 0.00 54.13 55.88 2nuf s LEU 172 Cb -0.07 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.82 2nuf s LEU 172 CO -0.01 -0.62 0.20 -0.38 -1.32 0.00 0.00 176.35 174.22 2nuf n ILE 173 N 4.57 1.69 -3.62 6.68 2.08 0.34 -4.95 119.36 126.15 2nuf n ILE 173 Ca 0.12 -0.64 -0.05 0.00 0.56 0.00 0.00 62.75 62.73 2nuf n ILE 173 Cb 0.45 -1.60 -0.02 0.00 -0.75 0.00 0.00 39.64 37.73 2nuf n ILE 173 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2nuf s SER 174 N -6.83 -0.24 -0.01 4.38 1.04 -1.17 -5.02 113.70 105.86 2nuf s SER 174 Ca -0.25 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2nuf s SER 174 Cb 0.07 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2nuf s SER 174 CO 0.72 -0.68 -0.03 -0.69 0.98 0.00 0.00 173.24 173.55 2nuf s VAL 175 N -3.07 0.23 0.05 5.02 1.01 -1.26 -2.16 120.40 120.21 2nuf s VAL 175 Ca 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2nuf s VAL 175 Cb -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.19 2nuf s VAL 175 CO -0.04 0.08 0.33 -1.61 0.00 0.00 0.00 175.10 173.86 2nuf s GLU 176 N 0.07 0.84 0.00 2.72 0.41 -0.83 -4.99 118.70 116.92 2nuf s GLU 176 Ca -0.00 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.08 2nuf s GLU 176 Cb -0.03 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.69 2nuf s GLU 176 CO -0.00 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 2nuf n GLY 177 N 0.54 0.79 3.79 -1.39 0.00 -1.26 -0.84 105.19 106.81 2nuf n GLY 177 Ca -0.18 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.35 2nuf n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nuf s PRO 178 N -1.18 2.72 0.51 1.61 0.02 -0.91 -4.80 135.00 132.96 2nuf s PRO 178 Ca 0.00 1.14 0.17 0.00 0.02 0.00 0.00 61.00 62.33 2nuf s PRO 178 Cb 0.00 -1.96 1.25 0.00 0.02 0.00 0.00 34.50 33.81 2nuf s PRO 178 CO 0.00 -1.28 2.11 0.45 -0.33 0.00 0.00 177.00 177.95 2nuf h HIS 179 N -0.59 0.00 -0.03 6.54 3.86 -2.00 0.77 115.15 123.70 2nuf h HIS 179 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2nuf h HIS 179 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2nuf h HIS 179 CO 0.59 0.06 0.00 -2.39 0.86 0.00 0.00 177.93 177.05 2nuf n HIS 180 N -4.38 0.02 -3.05 2.45 -0.00 -1.26 -4.34 115.22 104.66 2nuf n HIS 180 Ca -0.03 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.72 57.51 2nuf n HIS 180 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.10 2nuf n HIS 180 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2nuf n LYS 181 N 0.22 0.56 -3.72 -1.40 4.81 0.23 -5.14 118.16 113.70 2nuf n LYS 181 Ca 0.19 -2.61 -0.25 0.00 -0.87 0.00 0.00 58.31 54.76 2nuf n LYS 181 Cb 0.36 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 2nuf n LYS 181 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nuf s LYS 182 N -0.00 3.49 -0.08 1.64 1.02 -0.98 -2.14 119.74 122.69 2nuf s LYS 182 Ca 0.33 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 2nuf s LYS 182 Cb 0.12 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2nuf s LYS 182 CO -0.15 0.38 -0.03 0.21 -0.92 0.00 0.00 175.35 174.84 2nuf s LYS 183 N -3.62 0.87 -0.11 1.68 2.20 -0.02 -4.40 119.74 116.33 2nuf s LYS 183 Ca 0.37 -0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2nuf s LYS 183 Cb -0.10 -1.09 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 2nuf s LYS 183 CO 0.30 -0.25 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.97 2nuf s PHE 184 N 1.72 3.12 -0.31 4.03 0.08 -0.07 -1.96 117.98 124.59 2nuf s PHE 184 Ca 0.02 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.09 2nuf s PHE 184 Cb -0.13 -1.86 0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2nuf s PHE 184 CO -0.05 0.29 0.01 0.42 -0.10 0.00 0.00 175.22 175.79 2nuf s ILE 185 N -0.41 2.97 0.12 0.64 1.01 -0.92 -2.12 121.20 122.48 2nuf s ILE 185 Ca 0.07 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.33 2nuf s ILE 185 Cb -0.12 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2nuf s ILE 185 CO 0.02 -0.15 -0.00 -0.69 0.00 0.00 0.00 174.94 174.12 2nuf s VAL 186 N 1.23 3.89 -0.12 2.92 1.01 0.14 -0.50 120.40 128.98 2nuf s VAL 186 Ca -0.04 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2nuf s VAL 186 Cb -0.20 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2nuf s VAL 186 CO -0.02 0.04 -0.15 -0.70 0.00 0.00 0.00 175.10 174.28 2nuf s GLU 187 N -2.53 3.27 -0.09 2.72 2.12 -0.40 -0.40 118.70 123.39 2nuf s GLU 187 Ca 0.26 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 2nuf s GLU 187 Cb -0.11 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 2nuf s GLU 187 CO 0.18 0.24 0.03 0.00 -0.54 0.00 0.00 175.26 175.18 2nuf s ALA 188 N 0.26 3.42 -0.19 6.30 0.00 0.11 -1.50 121.76 130.16 2nuf s ALA 188 Ca -0.10 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 2nuf s ALA 188 Cb -0.16 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.43 2nuf s ALA 188 CO 0.06 0.60 0.48 0.21 0.00 0.00 0.00 175.76 177.11 2nuf s LYS 189 N -0.93 0.55 -0.16 0.00 2.20 -0.09 -1.37 119.74 119.93 2nuf s LYS 189 Ca 0.14 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.42 2nuf s LYS 189 Cb -0.11 0.22 0.08 0.00 -1.51 0.00 0.00 37.83 36.51 2nuf s LYS 189 CO 0.03 -0.09 0.30 -1.50 -0.36 0.00 0.00 175.35 173.73 2nuf s ILE 190 N 0.52 -0.46 0.00 5.43 1.10 -0.97 0.72 121.20 127.54 2nuf s ILE 190 Ca -0.02 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 2nuf s ILE 190 Cb -0.04 -0.56 0.00 0.00 0.15 0.00 0.00 42.46 42.01 2nuf s ILE 190 CO -0.03 0.04 0.00 0.29 -2.11 0.00 0.00 174.94 173.13 2nuf n LYS 191 N 5.36 0.00 -0.08 3.50 4.76 -1.26 -1.82 118.16 128.61 2nuf n LYS 191 Ca -0.06 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.46 2nuf n LYS 191 Cb 0.50 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.81 2nuf n LYS 191 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2nuf n GLU 192 N 13.14 1.79 -3.01 1.97 -0.58 -1.26 -4.94 120.64 127.74 2nuf n GLU 192 Ca 0.00 -1.76 -0.40 0.00 -0.42 0.00 0.00 57.16 54.58 2nuf n GLU 192 Cb 0.00 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 2nuf n GLU 192 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2nuf s TYR 193 N -1.29 3.61 0.03 -0.32 1.51 -0.76 -5.05 117.35 115.08 2nuf s TYR 193 Ca 0.24 1.32 0.04 0.00 -1.01 0.00 0.00 57.07 57.66 2nuf s TYR 193 Cb 0.15 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 2nuf s TYR 193 CO 0.22 0.11 -0.12 1.03 -1.11 0.00 0.00 175.55 175.68 2nuf s ARG 194 N 0.68 0.82 0.02 -0.62 0.52 -1.26 -2.29 118.95 116.82 2nuf s ARG 194 Ca 0.39 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.78 2nuf s ARG 194 Cb -0.18 -0.79 0.03 0.00 0.52 0.00 0.00 34.95 34.53 2nuf s ARG 194 CO 0.20 0.20 0.39 0.95 0.02 0.00 0.00 175.30 177.06 2nuf s THR 195 N -0.75 0.06 0.38 0.02 -4.23 -0.47 -4.99 115.64 105.66 2nuf s THR 195 Ca 0.00 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.13 2nuf s THR 195 Cb -0.07 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2nuf s THR 195 CO 0.01 -0.25 0.22 -0.76 -0.54 0.00 0.00 174.62 173.29 2nuf s LEU 196 N -1.79 3.28 -0.08 4.79 1.43 -1.26 0.06 118.68 125.10 2nuf s LEU 196 Ca -0.08 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 51.88 2nuf s LEU 196 Cb -0.02 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.53 2nuf s LEU 196 CO -0.00 -0.46 0.77 -0.83 0.23 0.00 0.00 176.35 176.06 2nuf s GLY 197 N -3.94 -0.50 0.03 -3.19 0.00 0.46 -4.08 107.32 96.11 2nuf s GLY 197 Ca 0.41 1.52 -0.01 0.00 0.00 0.00 0.00 44.72 46.64 2nuf s GLY 197 CO 0.24 0.99 -0.01 -1.83 0.00 0.00 0.00 173.10 172.49 2nuf s GLU 198 N -1.15 0.47 -0.06 2.90 -1.05 -1.25 0.26 118.70 118.82 2nuf s GLU 198 Ca -0.08 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 2nuf s GLU 198 Cb -0.00 0.17 0.11 0.00 -0.44 0.00 0.00 34.13 33.97 2nuf s GLU 198 CO 0.08 -0.09 1.35 0.20 0.95 0.00 0.00 175.26 177.75 2nuf s GLY 199 N -2.10 -0.29 0.00 -3.83 0.00 -0.90 -4.46 107.32 95.74 2nuf s GLY 199 Ca -0.06 0.41 0.07 0.00 0.00 0.00 0.00 44.72 45.14 2nuf s GLY 199 CO -0.05 3.69 1.13 0.58 0.00 0.00 0.00 173.10 178.45 2nuf n LYS 200 N -0.75 0.05 -3.92 2.90 2.85 -1.26 -0.89 118.16 117.14 2nuf n LYS 200 Ca -0.01 0.30 -0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2nuf n LYS 200 Cb 0.61 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 2nuf n LYS 200 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2nuf s SER 201 N -2.76 -0.03 0.09 -5.58 1.04 -1.26 -4.70 113.70 100.50 2nuf s SER 201 Ca 0.05 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.39 2nuf s SER 201 Cb 0.04 0.47 -0.15 0.00 0.10 0.00 0.00 66.02 66.49 2nuf s SER 201 CO 0.11 -0.93 1.64 0.11 0.98 0.00 0.00 173.24 175.14 2nuf h LYS 202 N 2.46 -0.63 -0.45 4.02 1.57 -1.94 -0.14 116.57 121.47 2nuf h LYS 202 Ca -0.31 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2nuf h LYS 202 Cb 1.24 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 2nuf h LYS 202 CO 0.46 -0.42 0.23 1.57 -0.57 0.00 0.00 179.45 180.71 2nuf h LYS 203 N -0.66 0.45 -0.81 3.15 2.10 -1.97 1.42 116.57 120.26 2nuf h LYS 203 Ca -0.04 -0.03 0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2nuf h LYS 203 Cb 0.56 -0.10 -0.05 0.00 -0.90 0.00 0.00 32.23 31.74 2nuf h LYS 203 CO 0.01 0.30 0.52 1.49 -2.00 0.00 0.00 179.45 179.77 2nuf h GLU 204 N 0.46 0.98 -0.37 0.07 4.81 -1.90 0.33 114.58 118.96 2nuf h GLU 204 Ca 0.19 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2nuf h GLU 204 Cb 0.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2nuf h GLU 204 CO -0.13 0.65 -0.35 0.00 -0.73 0.00 0.00 179.01 178.45 2nuf h ALA 205 N 1.33 0.67 -0.21 2.92 0.00 0.14 -1.83 119.26 122.28 2nuf h ALA 205 Ca 0.32 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2nuf h ALA 205 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nuf h ALA 205 CO -0.11 0.67 -0.15 0.93 0.00 0.00 0.00 179.25 180.59 2nuf h GLU 206 N 0.71 0.36 0.27 0.00 5.08 0.26 -1.24 114.58 120.02 2nuf h GLU 206 Ca 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2nuf h GLU 206 Cb 0.92 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2nuf h GLU 206 CO 0.08 0.50 -0.13 1.96 -1.00 0.00 0.00 179.01 180.43 2nuf h GLN 207 N 0.33 -0.35 -0.51 2.33 1.08 -0.05 -0.92 115.11 117.02 2nuf h GLN 207 Ca 0.06 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2nuf h GLN 207 Cb 0.46 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 2nuf h GLN 207 CO 0.03 -0.06 0.23 0.00 -0.95 0.00 0.00 178.83 178.08 2nuf h ARG 208 N -0.65 0.43 -0.61 1.46 -0.00 -1.23 -0.18 114.38 113.59 2nuf h ARG 208 Ca -0.04 -0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2nuf h ARG 208 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 2nuf h ARG 208 CO 0.06 0.28 0.41 0.00 0.00 0.00 0.00 179.97 180.72 2nuf h ALA 209 N 1.30 1.60 -0.15 0.04 0.00 -1.17 -2.50 119.26 118.38 2nuf h ALA 209 Ca 0.24 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 2nuf h ALA 209 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2nuf h ALA 209 CO -0.20 0.36 -0.61 0.00 0.00 0.00 0.00 179.25 178.81 2nuf h ALA 210 N 1.63 0.66 -0.53 0.00 0.00 0.34 -2.33 119.26 119.02 2nuf h ALA 210 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2nuf h ALA 210 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2nuf h ALA 210 CO -0.06 0.71 0.22 1.49 0.00 0.00 0.00 179.25 181.62 2nuf h GLU 211 N 0.39 0.79 -0.18 0.00 4.81 -0.67 -1.56 114.58 118.16 2nuf h GLU 211 Ca -0.01 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2nuf h GLU 211 Cb 1.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2nuf h GLU 211 CO 0.11 0.68 -0.13 0.93 -0.73 0.00 0.00 179.01 179.88 2nuf h GLU 212 N 0.72 0.28 -0.04 1.92 4.39 -1.45 -1.87 114.58 118.53 2nuf h GLU 212 Ca 0.18 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.61 2nuf h GLU 212 Cb 0.18 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2nuf h GLU 212 CO -0.02 0.41 -0.82 1.25 -1.16 0.00 0.00 179.01 178.68 2nuf h LEU 213 N 0.27 0.48 0.23 1.33 5.85 -1.04 0.18 115.31 122.60 2nuf h LEU 213 Ca 0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2nuf h LEU 213 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2nuf h LEU 213 CO 0.02 1.11 -0.14 0.40 -0.34 0.00 0.00 178.44 179.49 2nuf h ILE 214 N 0.24 0.70 -0.27 4.05 2.04 -0.81 0.06 117.51 123.53 2nuf h ILE 214 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2nuf h ILE 214 Cb 1.42 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2nuf h ILE 214 CO 0.14 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.29 2nuf h LYS 215 N -0.36 0.45 0.00 2.37 1.57 -1.33 0.15 116.57 119.42 2nuf h LYS 215 Ca -0.02 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2nuf h LYS 215 Cb 0.30 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2nuf h LYS 215 CO 0.02 0.57 -0.01 1.25 -0.57 0.00 0.00 179.45 180.71 2nuf h LEU 216 N 0.42 0.00 0.00 2.94 5.85 0.09 -2.55 115.31 122.07 2nuf h LEU 216 Ca 0.08 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.44 2nuf h LEU 216 Cb 0.46 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2nuf h LEU 216 CO 0.03 0.01 -2.32 0.18 -0.34 0.00 0.00 178.44 176.00 2nuf n LEU 217 N -3.15 0.53 0.15 2.25 4.77 -0.06 -3.19 117.00 118.31 2nuf n LEU 217 Ca -0.01 0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2nuf n LEU 217 Cb 0.18 0.25 0.56 0.00 -2.33 0.00 0.00 43.42 42.08 2nuf n LEU 217 CO 0.24 0.55 0.84 1.21 -1.33 0.00 0.00 177.39 178.90 2nuf n GLU 218 N -2.86 0.16 0.00 3.23 0.00 0.42 -0.87 120.64 120.71 2nuf n GLU 218 Ca -0.33 0.57 0.06 0.00 0.00 0.00 0.00 57.16 57.47 2nuf n GLU 218 Cb 1.12 -1.94 -0.07 0.00 0.00 0.00 0.00 31.44 30.55 2nuf n GLU 218 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2nuf n GLU 219 N -2.26 2.53 0.00 5.31 2.13 -0.99 -5.08 120.64 122.29 2nuf n GLU 219 Ca -0.00 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2nuf n GLU 219 Cb 0.10 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2nuf n GLU 219 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17