#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n48 s LEU 2 N 0.00 4.31 0.72 7.52 1.43 -1.26 -5.06 118.68 126.35 3n48 s LEU 2 Ca 0.00 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 3n48 s LEU 2 Cb 0.00 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.68 3n48 s LEU 2 CO 0.00 -0.39 1.09 -0.94 0.23 0.00 0.00 176.35 176.34 3n48 s SER 3 N 1.10 5.24 0.25 2.29 1.04 -1.26 -4.90 113.70 117.47 3n48 s SER 3 Ca 0.52 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 3n48 s SER 3 Cb -0.21 -2.09 0.41 0.00 0.10 0.00 0.00 66.02 64.23 3n48 s SER 3 CO 0.24 -1.49 1.83 -0.65 0.98 0.00 0.00 173.24 174.15 3n48 h PRO 4 N -0.75 0.85 -0.79 4.02 0.11 -2.00 -1.85 132.00 131.59 3n48 h PRO 4 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3n48 h PRO 4 Cb 1.25 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3n48 h PRO 4 CO 0.61 0.56 0.36 0.00 -0.21 0.00 0.00 178.00 179.32 3n48 h ALA 5 N 1.46 1.02 -0.34 -0.75 0.00 -1.99 -2.27 119.26 116.39 3n48 h ALA 5 Ca 0.41 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3n48 h ALA 5 Cb 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3n48 h ALA 5 CO -0.23 0.60 -0.00 -0.44 0.00 0.00 0.00 179.25 179.18 3n48 h ASP 6 N 1.12 -0.14 -0.80 0.00 3.32 -1.79 -0.30 116.42 117.83 3n48 h ASP 6 Ca 0.27 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 3n48 h ASP 6 Cb 0.15 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3n48 h ASP 6 CO -0.03 -0.04 0.40 0.11 -1.72 0.00 0.00 179.24 177.97 3n48 h LYS 7 N 0.09 1.15 -0.25 3.56 1.57 -1.06 0.56 116.57 122.19 3n48 h LYS 7 Ca 0.16 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3n48 h LYS 7 Cb 0.22 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3n48 h LYS 7 CO -0.27 0.87 0.11 1.15 -0.57 0.00 0.00 179.45 180.74 3n48 h THR 8 N 1.13 1.16 -0.59 -0.16 2.02 -1.17 -1.58 112.91 113.71 3n48 h THR 8 Ca 0.28 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3n48 h THR 8 Cb 0.09 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3n48 h THR 8 CO -0.04 0.16 0.39 0.78 0.37 0.00 0.00 175.52 177.18 3n48 h ASN 9 N 0.27 0.67 0.20 4.18 -0.26 -0.60 -1.39 115.58 118.65 3n48 h ASN 9 Ca 0.09 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3n48 h ASN 9 Cb 0.15 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 3n48 h ASN 9 CO -0.01 0.48 -0.10 0.40 -1.06 0.00 0.00 177.43 177.15 3n48 h ILE 10 N 0.79 0.86 -0.31 2.81 2.04 -0.82 -1.69 117.51 121.19 3n48 h ILE 10 Ca 0.22 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3n48 h ILE 10 Cb -0.08 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3n48 h ILE 10 CO -0.05 0.08 0.17 0.11 0.00 0.00 0.00 178.15 178.45 3n48 h LYS 11 N -0.44 0.34 -0.31 2.37 1.57 -1.24 -0.60 116.57 118.27 3n48 h LYS 11 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3n48 h LYS 11 Cb 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3n48 h LYS 11 CO 0.05 0.23 0.10 1.03 -0.57 0.00 0.00 179.45 180.28 3n48 h SER 12 N 0.36 0.45 -0.46 0.86 0.87 -1.27 -1.10 113.55 113.25 3n48 h SER 12 Ca 0.12 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3n48 h SER 12 Cb 0.01 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3n48 h SER 12 CO -0.07 0.53 0.18 0.74 -0.53 0.00 0.00 176.83 177.68 3n48 h THR 13 N 0.35 1.21 -0.11 2.23 2.02 -1.21 -1.84 112.91 115.55 3n48 h THR 13 Ca 0.10 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 3n48 h THR 13 Cb 0.24 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3n48 h THR 13 CO -0.00 0.24 -0.31 -0.25 0.37 0.00 0.00 175.52 175.57 3n48 h TRP 14 N 0.60 0.24 -0.14 3.16 2.91 -0.98 -2.29 115.95 119.46 3n48 h TRP 14 Ca 0.15 -0.05 -0.17 0.00 1.13 0.00 0.00 58.89 59.95 3n48 h TRP 14 Cb 0.21 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3n48 h TRP 14 CO 0.00 0.51 -0.64 0.22 -1.03 0.00 0.00 178.44 177.51 3n48 h ASP 15 N 0.19 0.57 -0.59 2.65 3.58 -1.04 -2.86 116.42 118.93 3n48 h ASP 15 Ca 0.03 -0.34 -0.07 0.00 0.42 0.00 0.00 57.03 57.07 3n48 h ASP 15 Cb 0.65 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 3n48 h ASP 15 CO 0.05 1.06 0.12 0.50 -2.88 0.00 0.00 179.24 178.09 3n48 h LYS 16 N 0.37 0.99 0.00 0.28 1.63 -0.94 -2.65 116.57 116.24 3n48 h LYS 16 Ca -0.01 -0.24 -0.11 0.00 -0.85 0.00 0.00 60.65 59.44 3n48 h LYS 16 Cb 1.20 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 3n48 h LYS 16 CO 0.12 0.90 -0.51 -0.84 -3.45 0.00 0.00 179.45 175.67 3n48 h ILE 17 N 0.94 1.25 0.00 2.00 3.07 -1.43 -3.47 117.51 119.88 3n48 h ILE 17 Ca 0.19 -1.82 0.00 0.00 1.55 0.00 0.00 64.86 64.79 3n48 h ILE 17 Cb 0.38 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 3n48 h ILE 17 CO 0.01 0.50 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 3n48 n GLY 18 N 0.13 3.02 0.00 0.16 0.00 -1.00 -1.52 105.19 105.98 3n48 n GLY 18 Ca -0.01 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3n48 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n48 n GLY 19 N 0.00 -0.82 0.06 -0.02 0.00 -1.26 -2.60 105.19 100.55 3n48 n GLY 19 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3n48 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n48 n HIS 20 N -1.22 0.53 -0.17 1.61 8.25 -0.58 -4.19 115.22 119.45 3n48 n HIS 20 Ca 0.10 0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.70 3n48 n HIS 20 Cb 0.13 -0.76 0.06 0.00 1.12 0.00 0.00 29.99 30.54 3n48 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n48 h ALA 21 N 2.70 0.47 -0.39 -1.41 0.00 -1.63 -1.48 119.26 117.52 3n48 h ALA 21 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3n48 h ALA 21 Cb 0.61 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3n48 h ALA 21 CO 0.00 -0.40 0.04 0.78 0.00 0.00 0.00 179.25 179.67 3n48 h GLY 22 N 0.08 0.42 0.91 0.00 0.00 -1.85 -0.10 103.07 102.53 3n48 h GLY 22 Ca 0.27 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3n48 h GLY 22 CO -0.47 -0.06 0.39 -0.55 0.00 0.00 0.00 176.54 175.84 3n48 h ASP 23 N 0.15 0.64 -0.27 0.19 3.32 -1.67 -2.74 116.42 116.05 3n48 h ASP 23 Ca 0.19 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 3n48 h ASP 23 Cb 0.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3n48 h ASP 23 CO -0.28 0.45 -0.00 1.88 -1.72 0.00 0.00 179.24 179.57 3n48 h TYR 24 N 0.77 0.62 -0.56 4.55 0.05 -0.47 -1.24 116.97 120.70 3n48 h TYR 24 Ca 0.24 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.97 3n48 h TYR 24 Cb -0.01 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 3n48 h TYR 24 CO -0.05 0.60 0.35 0.78 -1.05 0.00 0.00 178.16 178.79 3n48 h GLY 25 N 0.88 0.79 0.95 3.88 0.00 -0.78 0.87 103.07 109.66 3n48 h GLY 25 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3n48 h GLY 25 CO 0.01 0.24 0.19 -1.33 0.00 0.00 0.00 176.54 175.65 3n48 h GLY 26 N 0.70 0.56 0.97 4.60 0.00 -1.12 -2.25 103.07 106.52 3n48 h GLY 26 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3n48 h GLY 26 CO -0.08 0.25 0.23 -2.09 0.00 0.00 0.00 176.54 174.85 3n48 h GLU 27 N 0.46 0.71 -0.88 4.80 4.81 -0.97 -1.36 114.58 122.15 3n48 h GLU 27 Ca 0.13 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3n48 h GLU 27 Cb 0.09 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3n48 h GLU 27 CO -0.02 0.60 0.58 0.00 -0.73 0.00 0.00 179.01 179.45 3n48 h ALA 28 N 1.07 1.12 -0.03 2.92 0.00 -0.75 0.18 119.26 123.77 3n48 h ALA 28 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3n48 h ALA 28 Cb 0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3n48 h ALA 28 CO -0.02 0.53 0.01 -0.07 0.00 0.00 0.00 179.25 179.70 3n48 h LEU 29 N 1.20 0.04 -0.47 0.00 3.38 -1.22 -0.10 115.31 118.13 3n48 h LEU 29 Ca 0.32 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.25 3n48 h LEU 29 Cb -0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3n48 h LEU 29 CO -0.07 0.15 0.09 -0.78 0.09 0.00 0.00 178.44 177.92 3n48 h ASP 30 N -0.08 -0.01 -0.77 -0.43 3.58 -0.82 0.88 116.42 118.77 3n48 h ASP 30 Ca 0.01 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.55 3n48 h ASP 30 Cb 0.13 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 3n48 h ASP 30 CO -0.00 0.03 0.51 0.03 -2.88 0.00 0.00 179.24 176.92 3n48 h ARG 31 N 0.22 1.01 -0.31 0.28 3.08 -0.52 -1.15 114.38 116.99 3n48 h ARG 31 Ca 0.23 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3n48 h ARG 31 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3n48 h ARG 31 CO -0.31 0.67 0.12 1.15 -1.07 0.00 0.00 179.97 180.53 3n48 h THR 32 N 1.04 1.19 -0.62 2.04 2.02 -0.04 0.06 112.91 118.60 3n48 h THR 32 Ca 0.28 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 3n48 h THR 32 Cb -0.12 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3n48 h THR 32 CO -0.06 0.20 0.11 -0.26 0.37 0.00 0.00 175.52 175.88 3n48 h PHE 33 N 0.36 1.08 -0.12 3.16 0.04 -0.67 0.11 116.94 120.90 3n48 h PHE 33 Ca 0.10 -0.15 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 3n48 h PHE 33 Cb 0.20 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3n48 h PHE 33 CO -0.00 0.92 -0.31 1.96 -0.60 0.00 0.00 178.31 180.28 3n48 h GLN 34 N 0.93 0.42 -0.05 1.51 4.20 -1.13 -3.24 115.11 117.74 3n48 h GLN 34 Ca 0.19 -0.29 -0.22 0.00 0.06 0.00 0.00 58.65 58.39 3n48 h GLN 34 Cb 0.42 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3n48 h GLN 34 CO 0.01 0.90 -0.87 0.77 -0.67 0.00 0.00 178.83 178.97 3n48 h SER 35 N 0.00 0.66 -2.84 1.46 0.02 -1.00 -3.40 113.55 108.45 3n48 h SER 35 Ca -0.00 -0.48 -0.61 0.00 -0.84 0.00 0.00 61.79 59.86 3n48 h SER 35 Cb 0.92 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 62.86 3n48 h SER 35 CO 0.07 1.27 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.89 3n48 s PHE 36 N -3.46 2.28 0.58 3.45 0.08 0.03 -5.00 117.98 115.94 3n48 s PHE 36 Ca -0.07 -2.78 0.28 0.00 0.12 0.00 0.00 56.93 54.48 3n48 s PHE 36 Cb 0.09 -1.82 1.61 0.00 -0.57 0.00 0.00 43.02 42.32 3n48 s PHE 36 CO 0.88 -0.70 2.10 -1.35 -0.10 0.00 0.00 175.22 176.04 3n48 h PRO 37 N 5.69 0.00 0.00 0.24 0.11 -1.76 -1.66 132.00 134.63 3n48 h PRO 37 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3n48 h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3n48 h PRO 37 CO 0.54 0.00 -0.11 1.79 -0.21 0.00 0.00 178.00 180.01 3n48 h THR 38 N 0.00 0.69 0.00 -1.15 1.35 -1.92 -2.17 112.91 109.72 3n48 h THR 38 Ca 0.10 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 3n48 h THR 38 Cb 0.50 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3n48 h THR 38 CO -0.00 0.11 -0.12 0.71 -0.25 0.00 0.00 175.52 175.96 3n48 h THR 39 N 0.00 0.76 0.00 6.82 1.35 -1.62 -2.58 112.91 117.64 3n48 h THR 39 Ca -0.00 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 3n48 h THR 39 Cb 0.27 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3n48 h THR 39 CO 0.01 0.12 -0.04 0.11 -0.25 0.00 0.00 175.52 175.48 3n48 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.57 -2.67 116.57 118.62 3n48 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3n48 h LYS 40 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3n48 h LYS 40 CO 0.02 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.18 3n48 n THR 41 N -3.46 0.91 0.66 -0.16 -2.24 -0.97 -0.93 114.28 108.10 3n48 n THR 41 Ca -0.02 0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 3n48 n THR 41 Cb 0.15 -1.18 0.38 0.00 -2.10 0.00 0.00 70.33 67.58 3n48 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3n48 n TYR 42 N -2.07 0.75 -2.61 4.78 4.02 -1.01 -4.25 117.16 116.77 3n48 n TYR 42 Ca 0.02 0.22 -0.23 0.00 -0.01 0.00 0.00 57.90 57.89 3n48 n TYR 42 Cb 0.20 -0.83 -0.00 0.00 -0.02 0.00 0.00 39.34 38.68 3n48 n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3n48 n PHE 43 N -2.14 2.98 0.25 -0.72 3.01 -0.10 -4.85 117.46 115.88 3n48 n PHE 43 Ca 0.05 -3.22 0.12 0.00 1.01 0.00 0.00 57.45 55.42 3n48 n PHE 43 Cb 0.42 -0.21 0.62 0.00 -0.01 0.00 0.00 39.48 40.30 3n48 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3n48 h PRO 44 N 2.73 0.00 0.00 -1.08 0.13 -1.74 -2.15 132.00 129.89 3n48 h PRO 44 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3n48 h PRO 44 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3n48 h PRO 44 CO 0.77 0.16 0.00 -2.39 -0.23 0.00 0.00 178.00 176.31 3n48 n HIS 45 N -3.47 0.63 -3.15 1.56 1.44 -1.26 -4.83 115.22 106.15 3n48 n HIS 45 Ca -0.01 0.19 -0.39 0.00 -2.01 0.00 0.00 57.72 55.50 3n48 n HIS 45 Cb 0.33 -0.81 -0.06 0.00 0.12 0.00 0.00 29.99 29.56 3n48 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3n48 s PHE 46 N -3.09 3.79 -0.15 -1.40 0.40 -0.81 -5.04 117.98 111.69 3n48 s PHE 46 Ca 0.11 1.37 -0.29 0.00 -0.60 0.00 0.00 56.93 57.52 3n48 s PHE 46 Cb 0.14 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 3n48 s PHE 46 CO 0.55 0.47 1.41 0.34 0.70 0.00 0.00 175.22 178.68 3n48 s ASP 47 N -0.76 6.80 -0.12 1.36 2.15 -1.26 -4.90 116.67 119.93 3n48 s ASP 47 Ca 0.32 1.81 0.15 0.00 0.43 0.00 0.00 52.55 55.26 3n48 s ASP 47 Cb -0.20 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.35 3n48 s ASP 47 CO 0.21 -0.87 1.38 0.18 -0.17 0.00 0.00 175.17 175.90 3n48 n LEU 48 N 6.97 3.62 -4.78 -1.34 4.77 -1.26 -4.50 117.00 120.49 3n48 n LEU 48 Ca 0.15 -2.69 -0.30 0.00 -0.03 0.00 0.00 56.01 53.14 3n48 n LEU 48 Cb 0.44 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3n48 n LEU 48 CO 0.59 0.69 0.70 -0.94 -1.33 0.00 0.00 177.39 177.10 3n48 s SER 49 N -1.61 4.25 0.29 -1.43 1.04 -1.26 -4.94 113.70 110.04 3n48 s SER 49 Ca 0.36 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 57.92 3n48 s SER 49 Cb 0.27 -2.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.12 3n48 s SER 49 CO 0.11 -2.14 1.42 -2.65 0.98 0.00 0.00 173.24 170.96 3n48 n PRO 50 N -3.55 2.24 -1.07 4.02 -0.02 -1.26 -2.35 135.00 133.00 3n48 n PRO 50 Ca 0.07 0.79 -0.03 0.00 -2.02 0.00 0.00 63.50 62.32 3n48 n PRO 50 Cb 0.55 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3n48 n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n48 n GLY 51 N 1.62 0.59 3.68 -1.23 0.00 -1.26 -4.97 105.19 103.61 3n48 n GLY 51 Ca 0.08 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 3n48 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n48 n SER 52 N 0.92 3.45 -0.10 1.61 2.88 -0.99 -4.90 113.62 116.50 3n48 n SER 52 Ca -0.03 1.03 -0.07 0.00 -1.33 0.00 0.00 58.87 58.48 3n48 n SER 52 Cb 0.11 -1.45 0.10 0.00 -0.75 0.00 0.00 64.21 62.22 3n48 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3n48 h ALA 53 N 7.39 0.93 -0.54 -1.46 0.00 -1.91 -2.39 119.26 121.27 3n48 h ALA 53 Ca -0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3n48 h ALA 53 Cb 1.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3n48 h ALA 53 CO 0.92 0.62 0.31 1.96 0.00 0.00 0.00 179.25 183.06 3n48 h GLN 54 N 0.70 0.75 -0.35 0.00 4.20 -1.90 -0.74 115.11 117.77 3n48 h GLN 54 Ca 0.11 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3n48 h GLN 54 Cb 0.66 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3n48 h GLN 54 CO 0.05 0.57 0.02 0.28 -0.67 0.00 0.00 178.83 179.07 3n48 h VAL 55 N 0.73 1.25 -0.23 -0.54 2.07 -1.77 -0.56 116.25 117.19 3n48 h VAL 55 Ca 0.19 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3n48 h VAL 55 Cb 0.03 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3n48 h VAL 55 CO -0.03 0.31 0.11 0.50 0.02 0.00 0.00 177.57 178.48 3n48 h LYS 56 N 0.43 0.22 -0.54 1.57 3.64 -1.29 0.87 116.57 121.48 3n48 h LYS 56 Ca 0.10 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3n48 h LYS 56 Cb 0.43 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3n48 h LYS 56 CO 0.02 0.15 0.19 0.00 -2.27 0.00 0.00 179.45 177.54 3n48 h ALA 57 N 1.13 0.71 -0.43 5.00 0.00 -1.06 -2.64 119.26 121.96 3n48 h ALA 57 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3n48 h ALA 57 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3n48 h ALA 57 CO -0.08 0.34 -0.13 1.25 0.00 0.00 0.00 179.25 180.63 3n48 h HIS 58 N 0.74 0.87 -0.89 0.00 -0.00 -0.89 -2.72 115.15 112.27 3n48 h HIS 58 Ca 0.18 -0.17 0.08 0.00 -0.00 0.00 0.00 60.37 60.46 3n48 h HIS 58 Cb 0.24 -0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 3n48 h HIS 58 CO 0.01 0.87 0.58 0.78 -0.00 0.00 0.00 177.93 180.17 3n48 h GLY 59 N 0.97 1.28 1.00 5.26 0.00 -0.63 -1.02 103.07 109.94 3n48 h GLY 59 Ca 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3n48 h GLY 59 CO 0.04 0.25 0.32 0.50 0.00 0.00 0.00 176.54 177.65 3n48 h LYS 60 N 0.95 0.96 -0.42 4.80 1.57 -1.17 -1.21 116.57 122.05 3n48 h LYS 60 Ca 0.40 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3n48 h LYS 60 Cb 0.30 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3n48 h LYS 60 CO -0.16 0.76 0.08 0.87 -0.57 0.00 0.00 179.45 180.43 3n48 h LYS 61 N 0.92 0.69 -0.39 3.15 1.79 -1.14 -0.82 116.57 120.77 3n48 h LYS 61 Ca 0.23 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3n48 h LYS 61 Cb 0.12 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 3n48 h LYS 61 CO -0.03 0.72 0.21 0.28 -1.08 0.00 0.00 179.45 179.56 3n48 h VAL 62 N 0.55 1.15 -0.66 0.50 2.07 -1.12 -1.45 116.25 117.29 3n48 h VAL 62 Ca 0.13 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3n48 h VAL 62 Cb 0.36 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3n48 h VAL 62 CO 0.01 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.16 3n48 h ALA 63 N 1.07 0.83 -0.68 1.67 0.00 -1.09 -1.78 119.26 119.29 3n48 h ALA 63 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3n48 h ALA 63 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3n48 h ALA 63 CO -0.02 0.29 0.27 -0.44 0.00 0.00 0.00 179.25 179.35 3n48 h ASP 64 N 0.89 0.92 -0.61 0.00 3.32 -0.92 -0.50 116.42 119.51 3n48 h ASP 64 Ca 0.24 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3n48 h ASP 64 Cb -0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3n48 h ASP 64 CO -0.05 0.82 0.19 0.00 -1.72 0.00 0.00 179.24 178.48 3n48 h ALA 65 N 1.31 0.80 -0.40 3.45 0.00 -0.89 -1.42 119.26 122.11 3n48 h ALA 65 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3n48 h ALA 65 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3n48 h ALA 65 CO -0.02 0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 179.50 3n48 h LEU 66 N 0.88 0.73 -0.68 0.00 3.38 -0.96 -1.57 115.31 117.08 3n48 h LEU 66 Ca 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3n48 h LEU 66 Cb 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3n48 h LEU 66 CO -0.01 0.89 0.44 0.74 0.09 0.00 0.00 178.44 180.59 3n48 h THR 67 N 0.66 1.18 -0.54 0.22 2.02 -0.85 -0.89 112.91 114.72 3n48 h THR 67 Ca 0.11 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3n48 h THR 67 Cb 0.62 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3n48 h THR 67 CO 0.04 0.18 0.35 0.74 0.37 0.00 0.00 175.52 177.20 3n48 h THR 68 N 0.93 1.12 -0.87 3.16 2.02 -0.99 -2.77 112.91 115.51 3n48 h THR 68 Ca 0.25 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3n48 h THR 68 Cb -0.08 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 3n48 h THR 68 CO -0.05 0.13 0.56 0.00 0.37 0.00 0.00 175.52 176.53 3n48 h ALA 69 N 1.21 1.14 -0.50 6.16 0.00 -0.81 -2.18 119.26 124.27 3n48 h ALA 69 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3n48 h ALA 69 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3n48 h ALA 69 CO -0.06 0.43 0.33 0.28 0.00 0.00 0.00 179.25 180.23 3n48 h VAL 70 N 1.11 1.08 0.00 0.00 2.07 -0.90 -0.97 116.25 118.63 3n48 h VAL 70 Ca 0.34 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3n48 h VAL 70 Cb -0.03 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3n48 h VAL 70 CO -0.11 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3n48 n ALA 71 N -2.47 2.19 -2.67 1.67 0.00 -0.84 -4.07 120.51 114.31 3n48 n ALA 71 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 3n48 n ALA 71 Cb 0.11 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.18 3n48 n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3n48 n HIS 72 N -1.55 1.50 0.30 0.00 8.25 -0.39 -4.92 115.22 118.40 3n48 n HIS 72 Ca 0.06 -2.48 0.17 0.00 -0.26 0.00 0.00 57.72 55.21 3n48 n HIS 72 Cb 0.31 -0.29 0.95 0.00 1.12 0.00 0.00 29.99 32.08 3n48 n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3n48 h LEU 73 N 2.73 0.00 -0.35 2.41 3.38 -1.64 -1.50 115.31 120.35 3n48 h LEU 73 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3n48 h LEU 73 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3n48 h LEU 73 CO 0.40 0.03 -0.38 0.47 0.09 0.00 0.00 178.44 179.06 3n48 n ASP 74 N -3.49 0.92 -2.96 -0.43 8.00 -1.26 -4.44 116.55 112.90 3n48 n ASP 74 Ca -0.02 -0.74 -0.14 0.00 0.71 0.00 0.00 54.79 54.60 3n48 n ASP 74 Cb 0.14 0.23 0.02 0.00 -0.02 0.00 0.00 41.12 41.49 3n48 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3n48 n ASP 75 N -0.91 -0.94 -0.25 -2.24 2.03 -0.60 -4.99 116.55 108.66 3n48 n ASP 75 Ca 0.10 -3.27 -0.07 0.00 0.52 0.00 0.00 54.79 52.06 3n48 n ASP 75 Cb 0.35 0.67 0.04 0.00 -0.72 0.00 0.00 41.12 41.46 3n48 n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3n48 h LEU 76 N 3.26 1.00 -0.94 -2.67 3.38 -1.69 -2.22 115.31 115.43 3n48 h LEU 76 Ca -0.01 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3n48 h LEU 76 Cb 1.02 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 3n48 h LEU 76 CO 0.33 0.95 0.59 -0.65 0.09 0.00 0.00 178.44 179.75 3n48 h PRO 77 N 1.00 1.02 0.04 1.13 0.11 -1.94 0.15 132.00 133.52 3n48 h PRO 77 Ca 0.22 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3n48 h PRO 77 Cb 0.31 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3n48 h PRO 77 CO -0.01 0.68 -0.02 0.78 -0.21 0.00 0.00 178.00 179.22 3n48 h GLY 78 N 1.06 -0.06 2.00 -0.55 0.00 -1.95 -2.94 103.07 100.63 3n48 h GLY 78 Ca 0.42 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 3n48 h GLY 78 CO -0.19 -0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.02 3n48 h ALA 79 N 0.44 1.49 -0.25 3.60 0.00 -1.18 -3.16 119.26 120.20 3n48 h ALA 79 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3n48 h ALA 79 Cb 0.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3n48 h ALA 79 CO 0.01 0.39 -0.02 1.28 0.00 0.00 0.00 179.25 180.91 3n48 n LEU 80 N -4.17 3.75 -0.21 0.00 4.77 0.02 -4.76 117.00 116.40 3n48 n LEU 80 Ca -0.02 -3.22 -0.02 0.00 -0.03 0.00 0.00 56.01 52.72 3n48 n LEU 80 Cb 0.35 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 40.98 3n48 n LEU 80 CO 0.38 0.82 1.05 0.77 -1.33 0.00 0.00 177.39 179.08 3n48 h SER 81 N 1.36 0.44 -0.57 -1.43 4.64 -1.48 -0.74 113.55 115.77 3n48 h SER 81 Ca 0.06 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3n48 h SER 81 Cb 1.44 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 3n48 h SER 81 CO 0.24 0.28 0.18 0.00 -0.87 0.00 0.00 176.83 176.66 3n48 h ALA 82 N 1.34 1.17 -0.02 5.18 0.00 -1.87 -1.35 119.26 123.71 3n48 h ALA 82 Ca 0.28 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3n48 h ALA 82 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3n48 h ALA 82 CO -0.20 0.58 -0.61 -0.07 0.00 0.00 0.00 179.25 178.95 3n48 h LEU 83 N 0.90 0.09 -0.34 0.00 3.38 -1.75 -1.82 115.31 115.77 3n48 h LEU 83 Ca 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3n48 h LEU 83 Cb 0.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3n48 h LEU 83 CO -0.01 0.68 0.10 -1.28 0.09 0.00 0.00 178.44 178.02 3n48 h SER 84 N 0.06 0.51 -0.61 -0.43 0.87 -0.83 -0.76 113.55 112.36 3n48 h SER 84 Ca -0.01 -0.22 0.08 0.00 -1.23 0.00 0.00 61.79 60.42 3n48 h SER 84 Cb 1.09 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.85 3n48 h SER 84 CO 0.08 0.59 0.25 -0.78 -0.53 0.00 0.00 176.83 176.44 3n48 h ASP 85 N 0.40 0.28 0.16 6.23 3.58 -1.00 0.20 116.42 126.28 3n48 h ASP 85 Ca 0.11 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3n48 h ASP 85 Cb 0.27 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3n48 h ASP 85 CO -0.00 0.17 -0.08 0.25 -2.88 0.00 0.00 179.24 176.70 3n48 h LEU 86 N 0.45 -0.19 -0.06 2.28 5.85 -1.21 -1.85 115.31 120.58 3n48 h LEU 86 Ca 0.30 -0.24 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 3n48 h LEU 86 Cb 0.33 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3n48 h LEU 86 CO -0.27 0.15 -0.95 0.45 -0.34 0.00 0.00 178.44 177.47 3n48 h HIS 87 N -0.54 0.00 0.04 1.25 3.86 -1.00 0.25 115.15 119.01 3n48 h HIS 87 Ca -0.02 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.84 3n48 h HIS 87 Cb 0.41 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 3n48 h HIS 87 CO 0.03 0.95 -1.94 0.00 0.86 0.00 0.00 177.93 177.83 3n48 n ALA 88 N -2.35 1.00 -0.01 2.45 0.00 0.68 -1.72 120.51 120.56 3n48 n ALA 88 Ca -0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 3n48 n ALA 88 Cb 0.91 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 3n48 n ALA 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3n48 h TYR 89 N -0.48 0.38 0.00 0.00 0.05 -1.40 -3.35 116.97 112.17 3n48 h TYR 89 Ca -0.48 -0.28 -0.19 0.00 0.05 0.00 0.00 58.73 57.83 3n48 h TYR 89 Cb 1.70 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 39.40 3n48 h TYR 89 CO 0.05 1.56 -1.32 1.63 -1.05 0.00 0.00 178.16 179.02 3n48 n LYS 90 N -3.95 0.54 0.07 4.88 5.02 -1.02 -4.56 118.16 119.13 3n48 n LYS 90 Ca -0.26 0.44 -0.06 0.00 -2.02 0.00 0.00 58.31 56.41 3n48 n LYS 90 Cb 0.88 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 3n48 n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3n48 h LEU 91 N -1.00 0.00 -2.52 -0.35 3.38 -0.70 -3.48 115.31 110.64 3n48 h LEU 91 Ca -0.29 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.22 3n48 h LEU 91 Cb 1.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.91 3n48 h LEU 91 CO -0.18 0.94 -0.91 0.54 0.09 0.00 0.00 178.44 178.93 3n48 n ARG 92 N -3.34 -2.51 -2.39 1.13 1.74 -0.73 -4.90 116.66 105.66 3n48 n ARG 92 Ca 0.00 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 3n48 n ARG 92 Cb 0.91 -4.41 -0.03 0.00 -1.02 0.00 0.00 32.46 27.91 3n48 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3n48 s VAL 93 N -3.68 3.97 0.17 1.55 1.01 -0.70 -4.99 120.40 117.73 3n48 s VAL 93 Ca 0.23 1.40 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 3n48 s VAL 93 Cb -0.08 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3n48 s VAL 93 CO 0.87 0.09 1.69 -0.62 0.00 0.00 0.00 175.10 177.13 3n48 s ASP 94 N 1.16 6.46 0.56 3.32 -1.08 -1.26 -4.89 116.67 120.95 3n48 s ASP 94 Ca 0.59 2.75 0.31 0.00 -0.52 0.00 0.00 52.55 55.68 3n48 s ASP 94 Cb -0.30 -2.59 1.46 0.00 -1.46 0.00 0.00 42.92 40.04 3n48 s ASP 94 CO 0.28 -0.93 1.87 -0.65 0.52 0.00 0.00 175.17 176.26 3n48 h PRO 95 N 7.23 0.00 -0.92 4.34 0.11 -1.97 -1.25 132.00 139.54 3n48 h PRO 95 Ca -0.43 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3n48 h PRO 95 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3n48 h PRO 95 CO 0.94 0.00 0.59 -0.24 -0.21 0.00 0.00 178.00 179.09 3n48 h VAL 96 N 0.00 0.96 -0.09 3.15 3.04 -2.01 -2.06 116.25 119.23 3n48 h VAL 96 Ca 0.36 -0.32 -0.07 0.00 -1.01 0.00 0.00 66.70 65.67 3n48 h VAL 96 Cb 1.60 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 3n48 h VAL 96 CO -0.00 0.17 -0.26 0.78 -1.01 0.00 0.00 177.57 177.25 3n48 h ASN 97 N 0.92 0.16 -0.53 3.17 2.35 -1.60 -1.99 115.58 118.05 3n48 h ASN 97 Ca 0.43 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 3n48 h ASN 97 Cb 0.42 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3n48 h ASN 97 CO -0.19 0.43 0.06 -0.26 -1.65 0.00 0.00 177.43 175.81 3n48 h PHE 98 N 0.15 1.01 -0.76 1.19 -1.00 -1.50 -1.08 116.94 114.95 3n48 h PHE 98 Ca 0.02 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 3n48 h PHE 98 Cb 0.54 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 3n48 h PHE 98 CO 0.01 0.88 0.30 0.87 -1.61 0.00 0.00 178.31 178.75 3n48 h LYS 99 N 0.89 1.14 -0.20 1.51 1.57 -1.25 -0.08 116.57 120.15 3n48 h LYS 99 Ca 0.18 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3n48 h LYS 99 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3n48 h LYS 99 CO 0.01 0.93 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.70 3n48 h LEU 100 N 1.11 0.40 -0.55 2.94 3.38 -1.15 -1.53 115.31 119.90 3n48 h LEU 100 Ca 0.26 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3n48 h LEU 100 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3n48 h LEU 100 CO -0.02 0.67 0.08 0.25 0.09 0.00 0.00 178.44 179.51 3n48 h LEU 101 N 0.12 0.88 -0.76 1.67 5.85 -1.11 -2.33 115.31 119.63 3n48 h LEU 101 Ca 0.05 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3n48 h LEU 101 Cb 0.50 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3n48 h LEU 101 CO 0.02 0.92 0.49 0.28 -0.34 0.00 0.00 178.44 179.81 3n48 h SER 102 N 0.81 0.82 -0.61 1.25 0.02 -0.97 0.32 113.55 115.20 3n48 h SER 102 Ca 0.17 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3n48 h SER 102 Cb 0.42 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 3n48 h SER 102 CO 0.01 0.57 0.40 -0.74 -1.14 0.00 0.00 176.83 175.93 3n48 h HIS 103 N 0.97 0.75 0.00 3.45 -0.00 -1.15 -1.75 115.15 117.43 3n48 h HIS 103 Ca 0.30 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.60 3n48 h HIS 103 Cb -0.03 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 3n48 h HIS 103 CO -0.03 0.47 -0.40 0.00 -0.00 0.00 0.00 177.93 177.97 3n48 h LEU 105 N 0.00 0.68 -0.39 0.00 3.38 -0.66 -0.88 115.31 117.44 3n48 h LEU 105 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3n48 h LEU 105 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3n48 h LEU 105 CO 0.05 0.83 0.24 -0.07 0.09 0.00 0.00 178.44 179.58 3n48 h LEU 106 N 0.51 0.45 -0.48 1.67 3.38 -0.92 -1.49 115.31 118.43 3n48 h LEU 106 Ca 0.11 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3n48 h LEU 106 Cb 0.49 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3n48 h LEU 106 CO 0.02 0.35 0.28 0.58 0.09 0.00 0.00 178.44 179.77 3n48 h VAL 107 N 0.52 1.04 -0.51 1.22 2.07 -1.14 -0.57 116.25 118.88 3n48 h VAL 107 Ca 0.14 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3n48 h VAL 107 Cb -0.03 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3n48 h VAL 107 CO -0.03 0.10 0.31 0.74 0.02 0.00 0.00 177.57 178.71 3n48 h THR 108 N 0.56 1.15 -0.65 2.57 2.02 -0.95 -0.41 112.91 117.20 3n48 h THR 108 Ca 0.19 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3n48 h THR 108 Cb 0.02 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3n48 h THR 108 CO -0.09 0.16 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 3n48 h LEU 109 N 0.68 1.06 -0.78 2.58 3.38 -1.00 -2.68 115.31 118.56 3n48 h LEU 109 Ca 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3n48 h LEU 109 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3n48 h LEU 109 CO -0.03 1.07 0.30 0.00 0.09 0.00 0.00 178.44 179.86 3n48 h ALA 110 N 1.03 1.01 -0.12 1.53 0.00 -0.84 0.96 119.26 122.84 3n48 h ALA 110 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3n48 h ALA 110 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n48 h ALA 110 CO 0.02 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.91 3n48 n HIS 112 N -4.43 0.00 -3.23 0.00 -0.00 -1.03 -4.81 115.22 101.73 3n48 n HIS 112 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.47 3n48 n HIS 112 Cb 0.15 -0.57 -0.06 0.00 -0.00 0.00 0.00 29.99 29.51 3n48 n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3n48 n HIS 113 N -2.34 0.99 -0.05 4.41 -0.00 0.31 -4.97 115.22 113.57 3n48 n HIS 113 Ca -0.16 -3.77 -0.01 0.00 -0.00 0.00 0.00 57.72 53.78 3n48 n HIS 113 Cb 0.76 -0.42 0.25 0.00 -0.00 0.00 0.00 29.99 30.58 3n48 n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3n48 h PRO 114 N 3.83 0.64 -0.73 -0.41 0.13 -1.78 -0.63 132.00 133.05 3n48 h PRO 114 Ca 0.11 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3n48 h PRO 114 Cb 0.81 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 3n48 h PRO 114 CO 0.58 0.63 0.34 1.15 -0.23 0.00 0.00 178.00 180.47 3n48 h THR 115 N 0.61 1.24 -0.03 1.56 2.02 -1.93 -3.08 112.91 113.31 3n48 h THR 115 Ca 0.13 -0.71 -0.21 0.00 0.77 0.00 0.00 66.41 66.39 3n48 h THR 115 Cb 0.33 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3n48 h THR 115 CO 0.01 0.29 -0.88 -0.33 0.37 0.00 0.00 175.52 174.98 3n48 h GLU 116 N 1.04 0.42 -3.51 6.66 3.07 -1.86 -3.38 114.58 117.01 3n48 h GLU 116 Ca 0.25 -0.41 -0.68 0.00 -0.50 0.00 0.00 59.36 58.02 3n48 h GLU 116 Cb 0.15 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3n48 h GLU 116 CO -0.03 1.07 3.46 0.34 -1.40 0.00 0.00 179.01 182.46 3n48 n PHE 117 N -3.77 2.92 -1.67 4.33 7.35 -0.28 -4.75 117.46 121.58 3n48 n PHE 117 Ca -0.06 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 3n48 n PHE 117 Cb 0.80 -2.49 0.07 0.00 0.35 0.00 0.00 39.48 38.20 3n48 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3n48 s THR 118 N 2.74 3.38 0.27 -2.13 -4.23 -1.26 -4.80 115.64 109.62 3n48 s THR 118 Ca 0.58 0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 61.54 3n48 s THR 118 Cb 0.16 -3.28 0.27 0.00 1.34 0.00 0.00 72.50 70.98 3n48 s THR 118 CO -0.07 -0.59 1.83 -0.65 -0.54 0.00 0.00 174.62 174.60 3n48 h PRO 119 N -0.88 0.93 -0.51 3.99 0.11 -1.98 0.13 132.00 133.80 3n48 h PRO 119 Ca -0.46 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3n48 h PRO 119 Cb 1.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3n48 h PRO 119 CO 0.60 0.61 0.01 0.00 -0.21 0.00 0.00 178.00 179.01 3n48 h ALA 120 N 1.51 0.68 -0.35 -0.75 0.00 -1.96 -1.16 119.26 117.24 3n48 h ALA 120 Ca 0.47 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3n48 h ALA 120 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3n48 h ALA 120 CO -0.26 0.49 -0.04 0.28 0.00 0.00 0.00 179.25 179.72 3n48 h VAL 121 N 0.75 1.27 -0.53 0.00 2.07 -1.76 -1.61 116.25 116.45 3n48 h VAL 121 Ca 0.14 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.72 3n48 h VAL 121 Cb 0.51 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 3n48 h VAL 121 CO 0.02 0.34 -0.12 -0.74 0.02 0.00 0.00 177.57 177.10 3n48 h HIS 122 N 0.43 -0.26 -0.51 1.57 6.17 -0.65 0.14 115.15 122.04 3n48 h HIS 122 Ca 0.09 0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 3n48 h HIS 122 Cb 0.51 0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.62 3n48 h HIS 122 CO 0.04 -0.22 0.26 0.00 0.71 0.00 0.00 177.93 178.73 3n48 h ALA 123 N 1.53 0.66 -0.50 5.26 0.00 -1.01 -1.84 119.26 123.36 3n48 h ALA 123 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3n48 h ALA 123 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3n48 h ALA 123 CO -0.54 0.20 -0.17 0.77 0.00 0.00 0.00 179.25 179.52 3n48 h SER 124 N 0.69 1.00 -0.43 0.00 0.02 -0.63 -2.58 113.55 111.61 3n48 h SER 124 Ca 0.18 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 3n48 h SER 124 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3n48 h SER 124 CO -0.03 1.15 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.62 3n48 h LEU 125 N 0.87 0.89 -0.70 5.07 3.38 -0.64 0.07 115.31 124.24 3n48 h LEU 125 Ca 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3n48 h LEU 125 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3n48 h LEU 125 CO 0.06 1.02 0.35 -0.78 0.09 0.00 0.00 178.44 179.18 3n48 h ASP 126 N 0.80 0.91 -0.60 -0.43 3.58 -1.26 0.19 116.42 119.61 3n48 h ASP 126 Ca 0.13 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 3n48 h ASP 126 Cb 0.65 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3n48 h ASP 126 CO 0.05 0.77 0.03 0.11 -2.88 0.00 0.00 179.24 177.32 3n48 h LYS 127 N 0.97 1.05 0.14 0.28 1.57 -1.25 -1.33 116.57 118.00 3n48 h LYS 127 Ca 0.24 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3n48 h LYS 127 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3n48 h LYS 127 CO -0.03 1.01 -0.14 0.35 -0.57 0.00 0.00 179.45 180.06 3n48 h PHE 128 N 0.97 -0.36 -0.53 -1.35 3.57 -0.51 -0.01 116.94 118.72 3n48 h PHE 128 Ca 0.18 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3n48 h PHE 128 Cb 0.51 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3n48 h PHE 128 CO 0.04 -0.21 0.10 0.74 -2.23 0.00 0.00 178.31 176.74 3n48 h PHE 129 N -0.31 0.86 -0.65 0.41 0.04 -0.90 -1.79 116.94 114.61 3n48 h PHE 129 Ca 0.00 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 3n48 h PHE 129 Cb 0.29 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3n48 h PHE 129 CO -0.13 0.74 0.20 0.00 -0.60 0.00 0.00 178.31 178.52 3n48 h ALA 130 N 1.31 0.85 -0.39 2.45 0.00 -1.06 -0.67 119.26 121.76 3n48 h ALA 130 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3n48 h ALA 130 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3n48 h ALA 130 CO 0.00 0.53 0.17 0.00 0.00 0.00 0.00 179.25 179.95 3n48 h ALA 131 N 1.08 0.50 -0.59 0.00 0.00 -0.56 -1.45 119.26 118.23 3n48 h ALA 131 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n48 h ALA 131 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3n48 h ALA 131 CO -0.01 0.08 0.33 0.28 0.00 0.00 0.00 179.25 179.94 3n48 h VAL 132 N 0.48 1.19 -0.74 0.00 2.07 -1.24 -2.69 116.25 115.32 3n48 h VAL 132 Ca 0.13 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3n48 h VAL 132 Cb 0.15 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3n48 h VAL 132 CO -0.01 0.20 0.48 0.28 0.02 0.00 0.00 177.57 178.54 3n48 h SER 133 N 0.80 0.85 -0.61 0.57 0.02 -0.86 -1.63 113.55 112.69 3n48 h SER 133 Ca 0.21 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3n48 h SER 133 Cb 0.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3n48 h SER 133 CO -0.04 0.62 0.36 0.74 -1.14 0.00 0.00 176.83 177.38 3n48 h THR 134 N 1.00 1.18 -0.13 -2.27 2.02 -1.12 -1.79 112.91 111.80 3n48 h THR 134 Ca 0.27 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3n48 h THR 134 Cb -0.11 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3n48 h THR 134 CO -0.06 0.19 0.06 0.58 0.37 0.00 0.00 175.52 176.66 3n48 h VAL 135 N 0.82 1.12 0.00 3.16 2.07 -1.14 -2.17 116.25 120.11 3n48 h VAL 135 Ca 0.22 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3n48 h VAL 135 Cb -0.01 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3n48 h VAL 135 CO -0.04 0.11 -0.11 -0.07 0.02 0.00 0.00 177.57 177.48 3n48 h LEU 136 N 0.09 0.00 -1.61 2.57 3.38 -1.12 -2.66 115.31 115.96 3n48 h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3n48 h LEU 136 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3n48 h LEU 136 CO -0.01 0.11 -0.12 0.35 0.09 0.00 0.00 178.44 178.86 3n48 n THR 137 N -3.31 0.00 -3.75 0.22 -2.24 -0.69 -2.88 114.28 101.62 3n48 n THR 137 Ca -0.00 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 3n48 n THR 137 Cb 0.32 1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 3n48 n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3n48 s SER 138 N -2.13 6.45 -0.04 3.42 0.01 -0.83 -4.86 113.70 115.73 3n48 s SER 138 Ca 0.26 0.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 3n48 s SER 138 Cb 0.20 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 3n48 s SER 138 CO 0.37 0.11 -0.03 0.11 0.41 0.00 0.00 173.24 174.21 3n48 h LYS 139 N 3.02 0.00 -2.36 12.44 1.57 -1.91 -3.45 116.57 125.88 3n48 h LYS 139 Ca -0.46 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.12 3n48 h LYS 139 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 3n48 h LYS 139 CO 0.73 0.00 -0.20 2.48 -0.57 0.00 0.00 179.45 181.89 3n48 n TYR 140 N -3.10 -0.86 0.36 -1.35 4.11 -1.26 -4.85 117.16 110.22 3n48 n TYR 140 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.92 3n48 n TYR 140 Cb 0.05 -2.23 0.17 0.00 -0.00 0.00 0.00 39.34 37.33 3n48 n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40