#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4j h MET 1 N 0.00 -0.18 -3.66 0.00 4.05 -1.95 -2.32 114.93 110.87 3n4j h MET 1 Ca 0.00 0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.27 3n4j h MET 1 Cb 0.00 0.04 -0.22 0.00 -0.80 0.00 0.00 31.60 30.62 3n4j h MET 1 CO 0.00 0.24 -0.58 -0.51 0.23 0.00 0.00 176.91 176.29 3n4j s LEU 2 N -9.24 1.80 -0.22 3.39 1.43 -1.26 -0.25 118.68 114.33 3n4j s LEU 2 Ca -0.14 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3n4j s LEU 2 Cb 0.01 0.41 -0.01 0.00 0.03 0.00 0.00 46.19 46.63 3n4j s LEU 2 CO 0.58 -0.28 -0.03 0.20 0.23 0.00 0.00 176.35 177.05 3n4j s ASN 3 N -1.11 4.42 -0.20 2.29 0.01 0.34 -0.97 114.94 119.72 3n4j s ASN 3 Ca -0.12 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 3n4j s ASN 3 Cb -0.07 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 3n4j s ASN 3 CO 0.00 -0.00 0.05 -0.63 -1.51 0.00 0.00 177.10 175.01 3n4j s ILE 4 N 1.39 4.49 -0.20 0.60 1.09 0.05 -0.38 121.20 128.24 3n4j s ILE 4 Ca 0.05 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 3n4j s ILE 4 Cb -0.14 -3.03 0.05 0.00 -1.06 0.00 0.00 42.46 38.27 3n4j s ILE 4 CO -0.02 0.43 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.49 3n4j s VAL 5 N 0.74 1.47 -0.30 2.92 1.01 0.54 -0.23 120.40 126.55 3n4j s VAL 5 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 3n4j s VAL 5 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3n4j s VAL 5 CO 0.02 0.08 0.21 -0.76 0.00 0.00 0.00 175.10 174.65 3n4j s LEU 6 N 1.46 4.15 -0.33 3.92 1.43 -0.30 -0.89 118.68 128.11 3n4j s LEU 6 Ca -0.02 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 3n4j s LEU 6 Cb -0.17 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 3n4j s LEU 6 CO -0.08 -0.10 0.61 0.12 0.23 0.00 0.00 176.35 177.13 3n4j s PHE 7 N 1.76 3.18 -1.38 0.29 5.36 0.07 -0.98 117.98 126.28 3n4j s PHE 7 Ca 0.07 0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 3n4j s PHE 7 Cb -0.16 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3n4j s PHE 7 CO 0.11 -0.55 0.43 0.39 -1.46 0.00 0.00 175.22 174.14 3n4j n GLU 8 N 5.93 -2.71 -1.81 10.12 1.02 -0.17 -3.06 120.64 129.95 3n4j n GLU 8 Ca -0.02 0.37 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 3n4j n GLU 8 Cb 0.49 -4.31 0.03 0.00 -0.02 0.00 0.00 31.44 27.62 3n4j n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3n4j s PRO 9 N -6.60 3.47 -0.11 3.49 0.04 -1.26 -4.49 135.00 129.53 3n4j s PRO 9 Ca 0.07 2.32 0.05 0.00 0.04 0.00 0.00 61.00 63.49 3n4j s PRO 9 Cb -0.03 -2.49 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 3n4j s PRO 9 CO 0.90 -0.96 -0.03 0.39 0.04 0.00 0.00 177.00 177.34 3n4j n GLU 10 N -0.54 1.45 -3.78 4.56 1.02 -1.26 -0.14 120.64 121.96 3n4j n GLU 10 Ca 0.07 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 3n4j n GLU 10 Cb 0.43 -1.25 -0.13 0.00 -0.02 0.00 0.00 31.44 30.47 3n4j n GLU 10 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3n4j s ILE 11 N -2.24 3.90 0.21 -3.67 -1.09 -1.26 -4.18 121.20 112.87 3n4j s ILE 11 Ca -0.10 -0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 57.59 3n4j s ILE 11 Cb 0.04 -2.97 0.14 0.00 -1.58 0.00 0.00 42.46 38.09 3n4j s ILE 11 CO 0.35 0.14 1.79 1.55 -1.23 0.00 0.00 174.94 177.54 3n4j h PRO 12 N 8.21 0.60 0.00 2.79 0.13 -1.94 -2.12 132.00 139.67 3n4j h PRO 12 Ca -0.33 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 3n4j h PRO 12 Cb 1.13 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3n4j h PRO 12 CO 0.60 0.40 -0.15 -1.35 -0.23 0.00 0.00 178.00 177.27 3n4j h PRO 13 N 0.62 0.00 -0.52 1.56 0.10 -1.99 -0.99 132.00 130.77 3n4j h PRO 13 Ca 0.30 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 66.36 3n4j h PRO 13 Cb 0.24 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 31.32 3n4j h PRO 13 CO -0.21 0.15 0.15 -0.91 0.10 0.00 0.00 178.00 177.28 3n4j h ASN 14 N 0.00 0.77 -0.42 -2.05 2.35 -1.82 -1.04 115.58 113.37 3n4j h ASN 14 Ca -0.00 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 3n4j h ASN 14 Cb 0.30 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3n4j h ASN 14 CO 0.02 0.78 -0.29 0.74 -1.65 0.00 0.00 177.43 177.02 3n4j h THR 15 N 0.71 1.27 -0.68 2.81 2.02 -1.33 -1.14 112.91 116.57 3n4j h THR 15 Ca 0.17 -1.46 0.07 0.00 0.77 0.00 0.00 66.41 65.96 3n4j h THR 15 Cb 0.29 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3n4j h THR 15 CO -0.00 0.50 0.36 1.23 0.37 0.00 0.00 175.52 177.97 3n4j h GLY 16 N 0.84 1.00 1.44 2.16 0.00 -1.05 0.33 103.07 107.80 3n4j h GLY 16 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3n4j h GLY 16 CO 0.08 0.11 -0.06 3.43 0.00 0.00 0.00 176.54 180.10 3n4j h ASN 17 N 0.64 0.65 0.24 0.19 2.35 -0.93 -2.30 115.58 116.41 3n4j h ASN 17 Ca 0.32 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 3n4j h ASN 17 Cb 0.27 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3n4j h ASN 17 CO -0.22 0.76 -0.58 0.40 -1.65 0.00 0.00 177.43 176.14 3n4j h ILE 18 N 0.63 1.36 -0.28 2.81 2.04 -0.56 -0.87 117.51 122.63 3n4j h ILE 18 Ca 0.12 -1.89 0.03 0.00 1.00 0.00 0.00 64.86 64.12 3n4j h ILE 18 Cb 0.48 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3n4j h ILE 18 CO 0.02 0.57 0.11 0.40 0.00 0.00 0.00 178.15 179.25 3n4j h ILE 19 N 0.27 0.94 -0.49 -0.67 2.04 -0.68 -0.22 117.51 118.69 3n4j h ILE 19 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3n4j h ILE 19 Cb 1.09 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3n4j h ILE 19 CO 0.10 0.04 0.28 -0.09 0.00 0.00 0.00 178.15 178.48 3n4j h ARG 20 N 0.24 0.68 -0.26 2.37 9.65 -1.24 -1.02 114.38 124.80 3n4j h ARG 20 Ca 0.12 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 3n4j h ARG 20 Cb 0.08 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 28.46 3n4j h ARG 20 CO -0.12 0.51 -0.17 1.25 2.80 0.00 0.00 179.97 184.24 3n4j h LEU 21 N 0.66 -0.56 -0.72 3.80 5.85 -0.89 -0.52 115.31 122.93 3n4j h LEU 21 Ca 0.18 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 3n4j h LEU 21 Cb 0.02 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3n4j h LEU 21 CO -0.03 -0.21 0.14 0.00 -0.34 0.00 0.00 178.44 178.00 3n4j h ALA 23 N 1.09 1.09 0.00 0.00 0.00 -0.82 -0.86 119.26 119.76 3n4j h ALA 23 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3n4j h ALA 23 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3n4j h ALA 23 CO 0.01 0.65 -0.32 -0.91 0.00 0.00 0.00 179.25 178.68 3n4j h ASN 24 N 1.20 0.00 -0.01 0.00 2.35 -0.72 -3.26 115.58 115.14 3n4j h ASN 24 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3n4j h ASN 24 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3n4j h ASN 24 CO -0.04 0.32 -0.45 0.35 -1.65 0.00 0.00 177.43 175.97 3n4j n THR 25 N -3.42 0.00 -1.95 2.81 -2.24 -0.62 -5.00 114.28 103.85 3n4j n THR 25 Ca 0.00 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3n4j n THR 25 Cb 0.51 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3n4j n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4j n GLY 26 N 1.19 0.29 3.91 3.38 0.00 -0.43 -4.97 105.19 108.56 3n4j n GLY 26 Ca 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3n4j n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4j s GLN 28 N -3.17 4.12 0.02 0.00 2.00 -0.15 -4.56 119.66 117.92 3n4j s GLN 28 Ca 0.40 0.23 -0.16 0.00 -2.00 0.00 0.00 55.36 53.83 3n4j s GLN 28 Cb -0.11 -3.59 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 3n4j s GLN 28 CO 0.28 -0.17 0.45 -1.17 -0.50 0.00 0.00 175.29 174.18 3n4j s LEU 29 N 1.72 4.49 -0.04 3.68 2.96 -1.26 -0.77 118.68 129.46 3n4j s LEU 29 Ca 0.19 1.04 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 3n4j s LEU 29 Cb -0.15 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 3n4j s LEU 29 CO 0.09 0.31 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.28 3n4j s HIS 30 N -1.05 1.44 -0.14 5.38 3.76 0.68 -1.35 115.29 124.01 3n4j s HIS 30 Ca 0.25 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.78 3n4j s HIS 30 Cb -0.17 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.54 3n4j s HIS 30 CO 0.15 -0.14 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.16 3n4j s LEU 31 N 0.10 2.11 -0.26 0.89 1.43 -0.01 -1.15 118.68 121.80 3n4j s LEU 31 Ca -0.04 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 3n4j s LEU 31 Cb -0.11 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3n4j s LEU 31 CO 0.02 0.08 0.11 -0.63 0.23 0.00 0.00 176.35 176.15 3n4j s ILE 32 N 0.82 4.61 0.76 -0.59 1.01 -0.16 -1.11 121.20 126.55 3n4j s ILE 32 Ca -0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3n4j s ILE 32 Cb -0.15 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.18 3n4j s ILE 32 CO -0.02 0.30 1.08 -0.54 0.00 0.00 0.00 174.94 175.76 3n4j s LYS 33 N 1.66 2.40 0.24 2.79 1.02 -0.26 -1.00 119.74 126.59 3n4j s LYS 33 Ca 0.06 0.81 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 3n4j s LYS 33 Cb -0.15 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 3n4j s LYS 33 CO 0.06 -1.44 1.03 -1.25 -0.92 0.00 0.00 175.35 172.83 3n4j s PRO 34 N -5.08 4.72 0.55 -1.68 0.04 -1.26 -4.42 135.00 127.87 3n4j s PRO 34 Ca 0.60 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 3n4j s PRO 34 Cb -0.15 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 3n4j s PRO 34 CO 0.55 0.32 1.02 -0.51 0.04 0.00 0.00 177.00 178.41 3n4j s LEU 35 N -1.11 3.58 0.00 -3.56 1.43 -1.26 -4.28 118.68 113.47 3n4j s LEU 35 Ca 0.44 1.68 0.15 0.00 -1.03 0.00 0.00 54.13 55.36 3n4j s LEU 35 Cb -0.29 -4.52 0.49 0.00 0.03 0.00 0.00 46.19 41.90 3n4j s LEU 35 CO 0.36 -0.82 1.37 0.61 0.23 0.00 0.00 176.35 178.10 3n4j n GLY 36 N -1.31 0.51 3.21 -3.19 0.00 0.81 -4.90 105.19 100.32 3n4j n GLY 36 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3n4j n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n4j s PHE 37 N -1.63 0.14 0.27 1.61 -0.12 -1.26 -4.83 117.98 112.16 3n4j s PHE 37 Ca 0.27 -0.57 -0.29 0.00 -0.05 0.00 0.00 56.93 56.29 3n4j s PHE 37 Cb 0.14 -0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.39 3n4j s PHE 37 CO 0.20 -0.55 0.99 -0.08 -0.05 0.00 0.00 175.22 175.73 3n4j s THR 38 N -3.85 3.91 -0.27 -4.49 -1.32 -1.26 -5.01 115.64 103.36 3n4j s THR 38 Ca 0.05 1.87 -0.11 0.00 -1.21 0.00 0.00 61.69 62.29 3n4j s THR 38 Cb 0.05 -4.17 -0.05 0.00 -1.51 0.00 0.00 72.50 66.82 3n4j s THR 38 CO -0.11 0.41 0.20 0.86 -2.21 0.00 0.00 174.62 173.77 3n4j s TRP 39 N -1.24 3.24 -0.27 9.09 -0.11 -1.26 -5.05 118.94 123.35 3n4j s TRP 39 Ca 0.43 0.17 -0.13 0.00 1.22 0.00 0.00 56.10 57.80 3n4j s TRP 39 Cb -0.27 -2.38 0.09 0.00 -1.50 0.00 0.00 33.47 29.42 3n4j s TRP 39 CO 0.33 -0.12 0.64 0.34 -4.62 0.00 0.00 176.95 173.52 3n4j s ASP 40 N 1.60 -0.93 0.44 5.86 2.15 -1.26 -5.03 116.67 119.50 3n4j s ASP 40 Ca 0.08 1.45 0.15 0.00 0.43 0.00 0.00 52.55 54.66 3n4j s ASP 40 Cb -0.15 1.60 1.07 0.00 -0.30 0.00 0.00 42.92 45.13 3n4j s ASP 40 CO 0.10 -0.23 1.98 -2.24 -0.17 0.00 0.00 175.17 174.61 3n4j h ASP 41 N 7.36 0.33 -0.14 -0.34 2.03 -1.99 -0.85 116.42 122.83 3n4j h ASP 41 Ca -0.26 0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 55.91 3n4j h ASP 41 Cb 1.18 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 3n4j h ASP 41 CO 0.15 0.20 -0.39 0.11 -1.03 0.00 0.00 179.24 178.28 3n4j h LYS 42 N 0.36 0.66 -0.50 4.15 1.57 -1.99 0.35 116.57 121.18 3n4j h LYS 42 Ca 0.28 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3n4j h LYS 42 Cb 0.59 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3n4j h LYS 42 CO -0.07 0.94 -0.18 0.00 -0.57 0.00 0.00 179.45 179.57 3n4j h ARG 43 N 0.55 1.01 -0.60 3.15 3.08 -1.74 -0.96 114.38 118.86 3n4j h ARG 43 Ca 0.05 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3n4j h ARG 43 Cb 0.92 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 3n4j h ARG 43 CO 0.08 1.09 0.26 -0.07 -1.07 0.00 0.00 179.97 180.27 3n4j h LEU 44 N 0.87 0.81 -0.74 3.04 3.38 -0.93 0.25 115.31 121.99 3n4j h LEU 44 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3n4j h LEU 44 Cb 0.76 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3n4j h LEU 44 CO 0.06 0.74 0.43 0.03 0.09 0.00 0.00 178.44 179.80 3n4j h ARG 45 N 0.83 1.01 -0.08 1.13 2.47 -0.87 -2.18 114.38 116.69 3n4j h ARG 45 Ca 0.20 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3n4j h ARG 45 Cb 0.17 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3n4j h ARG 45 CO -0.02 0.73 -0.12 -0.09 0.56 0.00 0.00 179.97 181.02 3n4j h ARG 46 N 1.01 0.12 0.00 0.04 2.43 -0.73 -1.41 114.38 115.84 3n4j h ARG 46 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3n4j h ARG 46 Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3n4j h ARG 46 CO -0.05 0.25 0.00 0.00 -1.51 0.00 0.00 179.97 178.66 3n4j n ALA 47 N -2.50 1.80 0.00 2.80 0.00 0.04 -4.88 120.51 117.77 3n4j n ALA 47 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3n4j n ALA 47 Cb 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3n4j n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n4j n GLY 48 N 0.30 0.94 3.83 0.00 0.00 -0.53 -5.09 105.19 104.63 3n4j n GLY 48 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3n4j n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n4j s LEU 49 N 0.00 4.42 0.34 0.99 1.43 -0.86 -5.02 118.68 119.98 3n4j s LEU 49 Ca 0.00 1.17 -0.07 0.00 -1.03 0.00 0.00 54.13 54.20 3n4j s LEU 49 Cb 0.00 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.05 3n4j s LEU 49 CO 0.00 0.17 0.64 -1.81 0.23 0.00 0.00 176.35 175.59 3n4j s ASP 50 N -1.45 6.47 0.28 2.29 1.01 -1.26 -4.04 116.67 119.96 3n4j s ASP 50 Ca 0.34 0.87 0.02 0.00 0.71 0.00 0.00 52.55 54.50 3n4j s ASP 50 Cb -0.17 -2.21 0.65 0.00 1.01 0.00 0.00 42.92 42.19 3n4j s ASP 50 CO 0.19 -0.28 1.74 1.88 0.21 0.00 0.00 175.17 178.91 3n4j h TYR 51 N 1.46 0.80 0.00 4.23 0.05 -1.98 0.35 116.97 121.88 3n4j h TYR 51 Ca -0.47 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 3n4j h TYR 51 Cb 1.19 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 3n4j h TYR 51 CO 0.59 0.12 -0.06 1.12 -1.05 0.00 0.00 178.16 178.87 3n4j h HIS 52 N 0.58 0.00 0.00 4.88 2.07 -2.00 0.54 115.15 121.22 3n4j h HIS 52 Ca 0.52 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.93 3n4j h HIS 52 Cb 0.85 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.81 3n4j h HIS 52 CO -0.09 0.06 -0.52 0.93 -3.07 0.00 0.00 177.93 175.25 3n4j h GLU 53 N 0.00 0.00 0.00 5.12 5.08 -1.31 -3.35 114.58 120.12 3n4j h GLU 53 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n4j h GLU 53 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3n4j h GLU 53 CO 0.01 0.52 -0.90 1.97 -1.00 0.00 0.00 179.01 179.61 3n4j n PHE 54 N -3.59 0.00 0.26 4.33 1.16 -0.82 -4.72 117.46 114.08 3n4j n PHE 54 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 3n4j n PHE 54 Cb 0.60 -0.09 0.69 0.00 -1.61 0.00 0.00 39.48 39.06 3n4j n PHE 54 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3n4j h ALA 55 N 0.79 1.65 -0.02 1.98 0.00 -1.05 -2.86 119.26 119.74 3n4j h ALA 55 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n4j h ALA 55 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3n4j h ALA 55 CO 0.00 0.10 -0.05 -0.40 0.00 0.00 0.00 179.25 178.90 3n4j n ASP 56 N -4.12 2.46 -4.77 0.00 5.75 -1.26 -4.96 116.55 109.65 3n4j n ASP 56 Ca -0.03 -1.79 -0.41 0.00 -0.01 0.00 0.00 54.79 52.55 3n4j n ASP 56 Cb 0.16 0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 3n4j n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3n4j s ILE 57 N -2.06 2.08 -0.21 2.12 1.01 -1.08 -4.83 121.20 118.22 3n4j s ILE 57 Ca 0.30 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 3n4j s ILE 57 Cb 0.20 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3n4j s ILE 57 CO 0.34 0.02 0.44 -0.54 0.00 0.00 0.00 174.94 175.20 3n4j s LYS 58 N -1.66 4.16 -0.13 2.79 1.02 -0.46 -5.00 119.74 120.46 3n4j s LYS 58 Ca 0.55 0.27 -0.04 0.00 0.02 0.00 0.00 55.97 56.77 3n4j s LYS 58 Cb -0.47 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3n4j s LYS 58 CO 0.59 -0.12 0.01 -1.01 -0.92 0.00 0.00 175.35 173.90 3n4j s HIS 59 N 1.55 3.15 -0.03 3.18 3.76 -1.26 -0.83 115.29 124.81 3n4j s HIS 59 Ca 0.21 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 3n4j s HIS 59 Cb -0.15 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3n4j s HIS 59 CO 0.09 0.25 -0.12 -1.01 -0.85 0.00 0.00 174.74 173.10 3n4j s HIS 60 N -0.22 1.23 -0.15 1.40 3.76 -0.27 -4.95 115.29 116.08 3n4j s HIS 60 Ca 0.06 -0.33 0.24 0.00 -0.15 0.00 0.00 55.06 54.88 3n4j s HIS 60 Cb -0.12 -0.85 0.62 0.00 1.11 0.00 0.00 32.58 33.33 3n4j s HIS 60 CO 0.02 -0.13 1.70 1.12 -0.85 0.00 0.00 174.74 176.60 3n4j h HIS 61 N 6.36 0.00 -3.13 1.40 2.07 -1.89 -0.68 115.15 119.28 3n4j h HIS 61 Ca -0.33 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.15 3n4j h HIS 61 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 3n4j h HIS 61 CO 0.44 0.14 0.21 0.16 -3.07 0.00 0.00 177.93 175.82 3n4j s ASP 62 N -6.14 0.08 0.17 3.10 -4.77 -1.26 -4.29 116.67 103.55 3n4j s ASP 62 Ca 0.04 -1.14 -0.13 0.00 -3.30 0.00 0.00 52.55 48.03 3n4j s ASP 62 Cb 0.07 0.82 0.07 0.00 -1.09 0.00 0.00 42.92 42.79 3n4j s ASP 62 CO 0.65 -1.61 1.74 0.22 0.70 0.00 0.00 175.17 176.87 3n4j h TYR 63 N 2.02 0.84 -0.55 2.11 3.20 -1.89 -2.38 116.97 120.31 3n4j h TYR 63 Ca -0.31 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 3n4j h TYR 63 Cb 1.25 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 3n4j h TYR 63 CO 1.29 0.66 0.28 0.37 -1.64 0.00 0.00 178.16 179.12 3n4j h GLN 64 N 0.77 0.76 -0.67 1.82 5.75 -1.99 -1.05 115.11 120.51 3n4j h GLN 64 Ca 0.19 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3n4j h GLN 64 Cb 0.15 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3n4j h GLN 64 CO -0.02 0.57 0.24 0.00 -2.65 0.00 0.00 178.83 176.97 3n4j h ALA 65 N 1.55 0.87 -0.13 3.38 0.00 -1.84 0.13 119.26 123.21 3n4j h ALA 65 Ca 0.19 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3n4j h ALA 65 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3n4j h ALA 65 CO -0.03 0.52 -0.11 0.35 0.00 0.00 0.00 179.25 179.98 3n4j h PHE 66 N 0.96 -0.27 -0.59 0.00 3.57 -0.96 0.50 116.94 120.14 3n4j h PHE 66 Ca 0.22 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3n4j h PHE 66 Cb 0.25 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3n4j h PHE 66 CO 0.02 -0.16 0.37 -0.07 -2.23 0.00 0.00 178.31 176.23 3n4j h LEU 67 N -0.12 0.60 -0.42 0.59 3.38 -0.76 -1.71 115.31 116.87 3n4j h LEU 67 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3n4j h LEU 67 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3n4j h LEU 67 CO -0.21 0.42 -0.11 0.44 0.09 0.00 0.00 178.44 179.08 3n4j h ASP 68 N 0.73 0.82 -0.89 -0.43 3.32 -0.58 -0.45 116.42 118.93 3n4j h ASP 68 Ca 0.24 -0.37 0.11 0.00 0.02 0.00 0.00 57.03 57.03 3n4j h ASP 68 Cb 0.01 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.26 3n4j h ASP 68 CO -0.10 0.99 0.52 -1.28 -1.72 0.00 0.00 179.24 177.66 3n4j h SER 69 N 0.63 0.74 -0.52 6.45 0.87 -0.67 -2.37 113.55 118.68 3n4j h SER 69 Ca 0.10 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3n4j h SER 69 Cb 0.64 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3n4j h SER 69 CO 0.04 0.39 0.00 -0.62 -0.53 0.00 0.00 176.83 176.11 3n4j n GLU 70 N -4.72 2.50 -3.82 2.24 -0.58 -0.66 -4.94 120.64 110.65 3n4j n GLU 70 Ca 0.16 -2.30 -0.28 0.00 -0.42 0.00 0.00 57.16 54.32 3n4j n GLU 70 Cb 0.33 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 3n4j n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3n4j n LYS 71 N 1.42 -6.25 -3.70 3.49 4.76 -0.46 -4.98 118.16 112.44 3n4j n LYS 71 Ca 0.21 0.67 -0.35 0.00 -2.87 0.00 0.00 58.31 55.97 3n4j n LYS 71 Cb 0.57 -5.60 -0.05 0.00 -1.84 0.00 0.00 35.03 28.11 3n4j n LYS 71 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n4j s LEU 72 N -7.28 4.37 0.17 -0.35 1.43 -0.31 -5.04 118.68 111.67 3n4j s LEU 72 Ca 0.63 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 3n4j s LEU 72 Cb -0.30 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 3n4j s LEU 72 CO 0.80 0.24 1.29 -0.62 0.23 0.00 0.00 176.35 178.29 3n4j s ASP 73 N -1.67 6.94 0.10 2.29 -1.08 -1.26 -4.63 116.67 117.35 3n4j s ASP 73 Ca 0.28 2.32 -0.14 0.00 -0.52 0.00 0.00 52.55 54.49 3n4j s ASP 73 Cb -0.13 -2.60 -0.11 0.00 -1.46 0.00 0.00 42.92 38.61 3n4j s ASP 73 CO 0.16 -0.52 1.36 0.28 0.52 0.00 0.00 175.17 176.98 3n4j h SER 74 N 5.77 0.85 -0.18 -0.34 0.02 -1.97 -2.20 113.55 115.50 3n4j h SER 74 Ca -0.44 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.02 3n4j h SER 74 Cb 1.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3n4j h SER 74 CO 0.79 1.24 0.29 0.74 -1.14 0.00 0.00 176.83 178.75 3n4j h THR 75 N 0.49 0.28 0.00 -2.27 2.02 -1.94 -3.39 112.91 108.10 3n4j h THR 75 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3n4j h THR 75 Cb 1.11 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3n4j h THR 75 CO 0.11 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.67 3n4j n GLN 76 N -3.49 0.00 -1.93 6.66 7.27 -1.21 -4.80 117.38 119.88 3n4j n GLN 76 Ca 0.02 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.68 3n4j n GLN 76 Cb 0.40 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.03 3n4j n GLN 76 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3n4j s PRO 77 N 0.00 4.22 0.20 3.69 0.04 -0.83 -4.66 135.00 137.66 3n4j s PRO 77 Ca 0.00 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3n4j s PRO 77 Cb 0.00 -3.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.40 3n4j s PRO 77 CO 0.00 -0.46 1.01 0.00 0.04 0.00 0.00 177.00 177.59 3n4j s ALA 78 N -0.32 3.34 -1.45 8.56 0.00 -1.26 -3.77 121.76 126.86 3n4j s ALA 78 Ca 0.58 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 3n4j s ALA 78 Cb -0.44 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.42 3n4j s ALA 78 CO 0.49 -0.01 0.94 0.54 0.00 0.00 0.00 175.76 177.71 3n4j n ARG 79 N 1.94 -6.49 -4.24 0.00 5.12 -1.26 -4.86 116.66 106.87 3n4j n ARG 79 Ca 0.00 0.83 -0.34 0.00 -1.93 0.00 0.00 57.85 56.41 3n4j n ARG 79 Cb 0.47 -5.79 -0.15 0.00 -1.16 0.00 0.00 32.46 25.83 3n4j n ARG 79 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3n4j s LEU 80 N -7.06 2.51 -0.16 0.55 0.20 -1.25 -0.92 118.68 112.55 3n4j s LEU 80 Ca 0.49 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.82 3n4j s LEU 80 Cb -0.22 -1.59 -0.00 0.00 -0.43 0.00 0.00 46.19 43.95 3n4j s LEU 80 CO 0.60 0.03 -0.14 -0.36 -0.29 0.00 0.00 176.35 176.19 3n4j s PHE 81 N 1.13 2.80 -0.17 5.38 0.08 0.07 -4.79 117.98 122.48 3n4j s PHE 81 Ca 0.01 -1.06 -0.05 0.00 0.12 0.00 0.00 56.93 55.95 3n4j s PHE 81 Cb -0.14 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3n4j s PHE 81 CO -0.04 -0.49 -0.01 0.00 -0.10 0.00 0.00 175.22 174.57 3n4j s ALA 82 N 0.89 3.10 -0.10 5.36 0.00 0.11 -0.38 121.76 130.73 3n4j s ALA 82 Ca -0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3n4j s ALA 82 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3n4j s ALA 82 CO -0.01 0.14 1.04 -1.17 0.00 0.00 0.00 175.76 175.77 3n4j s LEU 83 N 0.47 4.24 -0.22 0.00 2.96 -0.29 -0.89 118.68 124.95 3n4j s LEU 83 Ca -0.02 1.58 -0.19 0.00 -0.22 0.00 0.00 54.13 55.28 3n4j s LEU 83 Cb -0.14 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.06 3n4j s LEU 83 CO 0.02 -0.48 0.58 0.28 -1.32 0.00 0.00 176.35 175.43 3n4j s THR 84 N 2.11 -0.00 0.14 3.68 -1.32 -0.14 -4.61 115.64 115.50 3n4j s THR 84 Ca 0.49 0.01 0.33 0.00 -1.21 0.00 0.00 61.69 61.32 3n4j s THR 84 Cb -0.19 -0.82 0.35 0.00 -1.51 0.00 0.00 72.50 70.33 3n4j s THR 84 CO 0.18 0.00 2.00 0.71 -2.21 0.00 0.00 174.62 175.31 3n4j h THR 85 N 4.46 0.00 -0.41 5.08 1.35 -1.95 -0.26 112.91 121.18 3n4j h THR 85 Ca -0.29 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3n4j h THR 85 Cb 1.18 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3n4j h THR 85 CO 0.16 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.72 3n4j n LYS 86 N -2.74 2.58 -2.07 4.72 5.02 -1.26 -4.96 118.16 119.44 3n4j n LYS 86 Ca -0.01 -1.72 -0.28 0.00 -2.02 0.00 0.00 58.31 54.27 3n4j n LYS 86 Cb 0.14 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.61 3n4j n LYS 86 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3n4j s GLY 87 N -0.78 1.63 0.00 0.72 0.00 -0.11 -5.03 107.32 103.74 3n4j s GLY 87 Ca 0.31 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3n4j s GLY 87 CO 0.16 -0.24 0.00 2.41 0.00 0.00 0.00 173.10 175.43 3n4j n THR 88 N -2.98 0.00 -2.09 0.90 -1.04 -0.69 -4.64 114.28 103.74 3n4j n THR 88 Ca 0.07 0.28 -0.40 0.00 -2.04 0.00 0.00 64.05 61.96 3n4j n THR 88 Cb 0.59 -1.12 -0.01 0.00 -1.82 0.00 0.00 70.33 67.97 3n4j n THR 88 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3n4j s PRO 89 N -0.56 4.18 0.73 -2.82 0.04 -1.25 -4.78 135.00 130.54 3n4j s PRO 89 Ca 0.00 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 3n4j s PRO 89 Cb 0.00 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.62 3n4j s PRO 89 CO 0.00 -0.32 0.97 0.00 0.04 0.00 0.00 177.00 177.68 3n4j n ALA 90 N 0.49 -0.27 0.08 8.56 0.00 -1.26 -1.48 120.51 126.63 3n4j n ALA 90 Ca 0.02 -0.20 0.18 0.00 0.00 0.00 0.00 53.44 53.43 3n4j n ALA 90 Cb 0.43 -2.11 0.71 0.00 0.00 0.00 0.00 19.45 18.47 3n4j n ALA 90 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3n4j h HIS 91 N -0.29 0.00 -0.01 0.00 2.07 -1.37 0.03 115.15 115.57 3n4j h HIS 91 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3n4j h HIS 91 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 3n4j h HIS 91 CO 0.40 0.00 -0.11 -1.13 -3.07 0.00 0.00 177.93 174.02 3n4j n SER 92 N -4.29 1.23 0.03 3.10 3.41 -1.26 -3.91 113.62 111.94 3n4j n SER 92 Ca 0.06 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.59 3n4j n SER 92 Cb 0.48 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 3n4j n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n4j n ALA 93 N -0.23 3.32 -1.83 7.33 0.00 -0.01 -4.87 120.51 124.22 3n4j n ALA 93 Ca 0.16 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 3n4j n ALA 93 Cb 0.34 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3n4j n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n4j s VAL 94 N -3.17 4.43 -0.40 0.00 1.01 -1.23 -4.98 120.40 116.06 3n4j s VAL 94 Ca 0.05 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 3n4j s VAL 94 Cb 0.14 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.93 3n4j s VAL 94 CO 0.77 -0.46 0.25 -0.44 0.00 0.00 0.00 175.10 175.22 3n4j s SER 95 N -2.51 5.75 0.47 3.32 0.01 -1.26 -5.07 113.70 114.41 3n4j s SER 95 Ca 0.61 -1.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 3n4j s SER 95 Cb -0.09 -2.03 -0.08 0.00 0.21 0.00 0.00 66.02 64.02 3n4j s SER 95 CO 0.20 -0.47 0.93 -0.31 0.41 0.00 0.00 173.24 174.00 3n4j s TYR 96 N 1.52 3.42 0.11 2.43 2.02 -1.26 -5.08 117.35 120.51 3n4j s TYR 96 Ca 0.02 1.41 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 3n4j s TYR 96 Cb -0.21 -2.73 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 3n4j s TYR 96 CO 0.05 -0.25 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.00 3n4j s GLN 97 N -3.80 0.95 0.33 -0.62 -0.21 -1.26 -4.81 119.66 110.23 3n4j s GLN 97 Ca 0.58 -1.20 -0.28 0.00 0.02 0.00 0.00 55.36 54.49 3n4j s GLN 97 Cb -0.10 -0.78 -0.13 0.00 1.00 0.00 0.00 33.01 33.01 3n4j s GLN 97 CO 0.27 0.14 1.15 0.00 -2.12 0.00 0.00 175.29 174.74 3n4j n ALA 98 N 0.58 0.59 -0.94 6.09 0.00 -1.26 -1.70 120.51 123.87 3n4j n ALA 98 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3n4j n ALA 98 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3n4j n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3n4j n ASN 99 N 0.92 -1.27 -4.54 0.00 5.15 0.65 -4.99 115.26 111.19 3n4j n ASN 99 Ca 0.07 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.69 3n4j n ASN 99 Cb 0.35 -0.70 0.08 0.00 -0.53 0.00 0.00 39.78 38.97 3n4j n ASN 99 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3n4j n ASP 100 N -0.07 -0.36 -4.53 1.20 8.00 -0.69 -4.56 116.55 115.54 3n4j n ASP 100 Ca 0.00 0.63 -0.34 0.00 0.71 0.00 0.00 54.79 55.79 3n4j n ASP 100 Cb 0.03 -1.31 -0.11 0.00 -0.02 0.00 0.00 41.12 39.71 3n4j n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n4j s TYR 101 N -1.86 3.10 -0.27 1.24 2.02 -0.10 -0.51 117.35 120.98 3n4j s TYR 101 Ca 0.69 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 57.17 3n4j s TYR 101 Cb -0.35 -2.03 0.04 0.00 -0.40 0.00 0.00 41.96 39.22 3n4j s TYR 101 CO 0.54 -0.03 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.93 3n4j s LEU 102 N 0.53 3.43 -0.16 -1.29 1.43 0.49 -0.75 118.68 122.36 3n4j s LEU 102 Ca -0.01 -1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 3n4j s LEU 102 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3n4j s LEU 102 CO 0.02 -0.18 -0.01 -0.22 0.23 0.00 0.00 176.35 176.20 3n4j s LEU 103 N 1.26 3.43 -0.02 1.79 2.96 0.48 -0.34 118.68 128.24 3n4j s LEU 103 Ca -0.03 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3n4j s LEU 103 Cb -0.18 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 3n4j s LEU 103 CO -0.04 0.17 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.67 3n4j s PHE 104 N 0.38 1.24 0.82 5.38 0.08 -0.07 -1.14 117.98 124.67 3n4j s PHE 104 Ca -0.02 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 3n4j s PHE 104 Cb -0.14 -0.83 0.17 0.00 -0.57 0.00 0.00 43.02 41.65 3n4j s PHE 104 CO 0.02 -0.08 1.12 0.20 -0.10 0.00 0.00 175.22 176.39 3n4j s GLY 105 N -0.08 1.77 0.82 4.36 0.00 -1.26 -0.75 107.32 112.18 3n4j s GLY 105 Ca 0.01 -1.68 -0.10 0.00 0.00 0.00 0.00 44.72 42.94 3n4j s GLY 105 CO 0.00 -1.00 1.11 2.56 0.00 0.00 0.00 173.10 175.77 3n4j s PRO 106 N -5.42 1.83 0.24 2.90 0.04 -1.17 -4.79 135.00 128.64 3n4j s PRO 106 Ca 0.70 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 3n4j s PRO 106 Cb -0.04 -1.84 0.26 0.00 0.04 0.00 0.00 34.50 32.92 3n4j s PRO 106 CO 0.48 -1.98 1.81 0.93 0.04 0.00 0.00 177.00 178.28 3n4j h GLU 107 N -1.38 1.08 -0.61 4.56 3.07 -1.91 -3.13 114.58 116.26 3n4j h GLU 107 Ca -0.43 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 3n4j h GLU 107 Cb 1.24 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3n4j h GLU 107 CO 0.48 0.88 0.00 0.25 -1.40 0.00 0.00 179.01 179.22 3n4j n THR 108 N -4.29 0.82 -3.66 1.13 -2.24 -1.26 -4.92 114.28 99.85 3n4j n THR 108 Ca 0.06 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.79 3n4j n THR 108 Cb 0.18 0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 3n4j n THR 108 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3n4j s ARG 109 N -1.18 0.78 0.78 -0.78 0.52 -1.18 -5.16 118.95 112.74 3n4j s ARG 109 Ca 0.45 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.75 3n4j s ARG 109 Cb 0.25 0.36 0.06 0.00 0.52 0.00 0.00 34.95 36.14 3n4j s ARG 109 CO 0.33 -0.20 1.08 0.20 0.02 0.00 0.00 175.30 176.73 3n4j s GLY 110 N -0.85 1.65 0.39 -3.53 0.00 -1.26 -3.70 107.32 100.01 3n4j s GLY 110 Ca -0.09 0.03 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 3n4j s GLY 110 CO 0.05 0.41 0.56 1.04 0.00 0.00 0.00 173.10 175.16 3n4j n LEU 111 N -3.47 -0.15 -4.81 0.66 4.77 -1.26 -4.71 117.00 108.03 3n4j n LEU 111 Ca 0.08 0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 3n4j n LEU 111 Cb 0.54 -1.10 0.03 0.00 -2.33 0.00 0.00 43.42 40.56 3n4j n LEU 111 CO 0.55 -2.85 0.71 -2.16 -1.33 0.00 0.00 177.39 172.32 3n4j s PRO 112 N -1.49 3.14 0.44 3.23 0.04 -1.26 -4.83 135.00 134.26 3n4j s PRO 112 Ca 0.63 1.07 0.14 0.00 0.04 0.00 0.00 61.00 62.87 3n4j s PRO 112 Cb -0.64 -2.01 0.96 0.00 0.04 0.00 0.00 34.50 32.84 3n4j s PRO 112 CO 0.58 -0.95 1.97 0.00 0.04 0.00 0.00 177.00 178.65 3n4j h ALA 113 N -0.13 1.66 0.00 8.56 0.00 -1.98 -1.26 119.26 126.10 3n4j h ALA 113 Ca -0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3n4j h ALA 113 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3n4j h ALA 113 CO 0.57 0.26 -0.13 0.10 0.00 0.00 0.00 179.25 180.05 3n4j h TYR 114 N 0.03 0.00 0.07 0.00 -0.00 -1.99 0.21 116.97 115.30 3n4j h TYR 114 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 3n4j h TYR 114 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.08 3n4j h TYR 114 CO 0.00 0.13 -0.03 0.82 -0.00 0.00 0.00 178.16 179.07 3n4j h ILE 115 N 0.00 0.39 -0.64 -0.90 2.04 -1.63 -3.34 117.51 113.44 3n4j h ILE 115 Ca -0.00 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 3n4j h ILE 115 Cb 0.23 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3n4j h ILE 115 CO 0.02 0.13 0.18 -0.07 0.00 0.00 0.00 178.15 178.40 3n4j h LEU 116 N -1.01 0.92 -0.78 1.44 3.38 -1.17 -2.56 115.31 115.53 3n4j h LEU 116 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3n4j h LEU 116 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3n4j h LEU 116 CO 0.02 0.88 0.00 0.44 0.09 0.00 0.00 178.44 179.86 3n4j h ASP 117 N 0.95 0.00 1.01 -0.43 3.32 -0.77 -1.87 116.42 118.63 3n4j h ASP 117 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3n4j h ASP 117 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3n4j h ASP 117 CO -0.00 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.33 3n4j n ALA 118 N -1.87 2.63 -2.86 3.45 0.00 -0.97 -4.87 120.51 116.02 3n4j n ALA 118 Ca 0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 3n4j n ALA 118 Cb 0.29 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 3n4j n ALA 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n4j s LEU 119 N -3.57 4.28 0.70 0.00 1.43 -0.70 -4.46 118.68 116.36 3n4j s LEU 119 Ca 0.11 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 3n4j s LEU 119 Cb 0.16 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3n4j s LEU 119 CO 0.61 0.35 1.22 -2.84 0.23 0.00 0.00 176.35 175.92 3n4j s PRO 120 N -1.34 2.32 0.30 1.29 0.02 -1.26 -4.91 135.00 131.42 3n4j s PRO 120 Ca 0.19 1.81 0.03 0.00 0.02 0.00 0.00 61.00 63.05 3n4j s PRO 120 Cb -0.12 -1.85 0.61 0.00 0.02 0.00 0.00 34.50 33.16 3n4j s PRO 120 CO 0.09 -1.71 1.84 0.00 -0.33 0.00 0.00 177.00 176.89 3n4j h ALA 121 N -0.01 1.58 0.00 -1.55 0.00 -1.94 -0.04 119.26 117.29 3n4j h ALA 121 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3n4j h ALA 121 Cb 1.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3n4j h ALA 121 CO 0.51 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.96 3n4j n GLN 122 N -4.62 0.50 -0.28 0.00 1.13 -1.26 -2.09 117.38 110.76 3n4j n GLN 122 Ca 0.19 0.04 0.10 0.00 -1.94 0.00 0.00 57.00 55.39 3n4j n GLN 122 Cb 0.39 -1.50 0.25 0.00 0.11 0.00 0.00 30.24 29.49 3n4j n GLN 122 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3n4j n GLN 123 N -1.16 2.65 -3.88 -1.09 6.02 -0.03 -4.84 117.38 115.05 3n4j n GLN 123 Ca 0.13 -2.39 -0.35 0.00 -0.01 0.00 0.00 57.00 54.38 3n4j n GLN 123 Cb 0.13 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 3n4j n GLN 123 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3n4j s LYS 124 N -1.08 2.27 0.10 -1.09 1.02 -0.89 -0.72 119.74 119.35 3n4j s LYS 124 Ca 0.39 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.98 3n4j s LYS 124 Cb 0.21 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 3n4j s LYS 124 CO 0.28 -0.74 0.14 0.96 -0.92 0.00 0.00 175.35 175.07 3n4j s ILE 125 N 1.20 4.82 -0.03 2.17 -4.36 -0.07 -1.70 121.20 123.23 3n4j s ILE 125 Ca -0.01 -0.72 0.05 0.00 -0.26 0.00 0.00 60.65 59.71 3n4j s ILE 125 Cb -0.20 -3.37 -0.01 0.00 1.25 0.00 0.00 42.46 40.13 3n4j s ILE 125 CO -0.02 0.06 -0.18 -0.60 0.24 0.00 0.00 174.94 174.45 3n4j s ARG 126 N -2.64 1.65 -0.22 0.37 3.52 -0.55 -0.97 118.95 120.12 3n4j s ARG 126 Ca 0.32 -0.63 -0.25 0.00 -0.13 0.00 0.00 55.73 55.04 3n4j s ARG 126 Cb -0.12 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.77 3n4j s ARG 126 CO 0.24 0.30 0.84 0.42 -0.81 0.00 0.00 175.30 176.30 3n4j s ILE 127 N -0.15 4.84 0.47 4.11 1.01 -1.26 -0.93 121.20 129.29 3n4j s ILE 127 Ca 0.01 1.61 -0.25 0.00 0.00 0.00 0.00 60.65 62.02 3n4j s ILE 127 Cb -0.10 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 3n4j s ILE 127 CO 0.01 -0.05 1.39 -2.65 0.00 0.00 0.00 174.94 173.65 3n4j n PRO 128 N 5.78 2.09 -3.90 2.79 -0.02 -1.26 -5.02 135.00 135.46 3n4j n PRO 128 Ca 0.06 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 3n4j n PRO 128 Cb 0.48 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 3n4j n PRO 128 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3n4j s MET 129 N -2.50 0.70 0.85 -0.52 -1.94 -1.26 -5.16 119.30 109.47 3n4j s MET 129 Ca 0.63 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 53.66 3n4j s MET 129 Cb -0.45 0.28 0.11 0.00 2.01 0.00 0.00 34.83 36.78 3n4j s MET 129 CO 0.56 -0.19 1.14 -0.65 -0.01 0.00 0.00 175.02 175.86 3n4j s GLN 130 N -3.17 1.48 0.33 2.03 -0.21 -1.26 -4.96 119.66 113.90 3n4j s GLN 130 Ca -0.00 1.47 -0.26 0.00 0.02 0.00 0.00 55.36 56.58 3n4j s GLN 130 Cb 0.02 -1.79 -0.13 0.00 1.00 0.00 0.00 33.01 32.11 3n4j s GLN 130 CO -0.07 -2.28 0.86 0.00 -2.12 0.00 0.00 175.29 171.68 3n4j n ALA 131 N -3.88 -0.72 -3.58 6.09 0.00 -1.26 -3.26 120.51 113.91 3n4j n ALA 131 Ca 0.11 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3n4j n ALA 131 Cb 0.52 -1.93 0.08 0.00 0.00 0.00 0.00 19.45 18.11 3n4j n ALA 131 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3n4j n ASP 132 N 1.19 -4.73 -4.86 0.00 2.03 -1.26 -4.99 116.55 103.93 3n4j n ASP 132 Ca 0.11 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.53 3n4j n ASP 132 Cb 0.34 -4.92 0.10 0.00 -0.72 0.00 0.00 41.12 35.92 3n4j n ASP 132 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3n4j s SER 133 N -3.68 4.32 0.45 1.67 1.04 -1.20 -5.12 113.70 111.18 3n4j s SER 133 Ca 0.39 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.74 3n4j s SER 133 Cb -0.18 -1.43 -0.05 0.00 0.10 0.00 0.00 66.02 64.47 3n4j s SER 133 CO 0.74 -2.03 0.02 -0.13 0.98 0.00 0.00 173.24 172.82 3n4j s ARG 134 N -5.46 2.04 0.21 4.02 1.81 -1.26 -5.09 118.95 115.21 3n4j s ARG 134 Ca 0.62 -2.23 -0.31 0.00 -1.72 0.00 0.00 55.73 52.09 3n4j s ARG 134 Cb -0.12 -1.46 -0.11 0.00 -0.45 0.00 0.00 34.95 32.81 3n4j s ARG 134 CO 0.51 -0.23 1.61 -1.54 -0.68 0.00 0.00 175.30 174.96 3n4j s SER 135 N -3.76 6.49 0.34 0.23 1.04 -1.26 -4.97 113.70 111.81 3n4j s SER 135 Ca 0.21 2.77 -0.26 0.00 0.48 0.00 0.00 55.95 59.15 3n4j s SER 135 Cb 0.06 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 3n4j s SER 135 CO 0.11 -0.87 0.97 -0.32 0.98 0.00 0.00 173.24 174.11 3n4j s MET 136 N 0.66 4.49 0.26 4.02 1.75 -1.26 -5.00 119.30 124.22 3n4j s MET 136 Ca 0.69 1.37 -0.31 0.00 -1.25 0.00 0.00 55.69 56.19 3n4j s MET 136 Cb -0.46 -2.73 -0.12 0.00 2.84 0.00 0.00 34.83 34.36 3n4j s MET 136 CO 0.36 0.18 1.62 -1.71 -0.65 0.00 0.00 175.02 174.82 3n4j n ASN 137 N 0.40 3.80 -0.18 1.11 2.85 -1.26 -4.86 115.26 117.12 3n4j n ASN 137 Ca 0.03 1.12 -0.07 0.00 -0.11 0.00 0.00 54.58 55.55 3n4j n ASN 137 Cb 0.50 -1.57 0.02 0.00 1.24 0.00 0.00 39.78 39.97 3n4j n ASN 137 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3n4j h LEU 138 N 5.33 0.60 -0.89 1.20 5.85 -1.96 -0.64 115.31 124.80 3n4j h LEU 138 Ca -0.46 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3n4j h LEU 138 Cb 1.22 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3n4j h LEU 138 CO 0.84 0.44 0.52 -1.28 -0.34 0.00 0.00 178.44 178.62 3n4j h SER 139 N 0.71 1.09 -0.55 1.25 0.87 -1.91 -0.10 113.55 114.92 3n4j h SER 139 Ca 0.19 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3n4j h SER 139 Cb -0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 3n4j h SER 139 CO -0.04 0.86 0.24 0.78 -0.53 0.00 0.00 176.83 178.14 3n4j h ASN 140 N 1.24 0.74 -0.25 6.23 -0.26 -1.76 -0.61 115.58 120.90 3n4j h ASN 140 Ca 0.32 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3n4j h ASN 140 Cb -0.02 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 3n4j h ASN 140 CO -0.06 0.68 0.15 0.00 -1.06 0.00 0.00 177.43 177.15 3n4j h ALA 141 N 1.08 0.32 -0.71 -0.83 0.00 -0.57 -1.45 119.26 117.11 3n4j h ALA 141 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3n4j h ALA 141 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3n4j h ALA 141 CO -0.02 -0.17 0.42 0.28 0.00 0.00 0.00 179.25 179.76 3n4j h VAL 142 N 0.31 1.20 -0.73 0.00 2.07 -0.90 -1.98 116.25 116.23 3n4j h VAL 142 Ca 0.09 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3n4j h VAL 142 Cb 0.02 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3n4j h VAL 142 CO -0.02 0.21 0.44 0.28 0.02 0.00 0.00 177.57 178.50 3n4j h SER 143 N 0.96 0.69 -0.18 0.57 0.02 -0.77 0.21 113.55 115.05 3n4j h SER 143 Ca 0.25 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3n4j h SER 143 Cb -0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3n4j h SER 143 CO -0.05 0.46 0.11 0.58 -1.14 0.00 0.00 176.83 176.79 3n4j h VAL 144 N 0.83 1.08 -0.29 2.27 2.07 -0.95 -0.46 116.25 120.80 3n4j h VAL 144 Ca 0.31 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3n4j h VAL 144 Cb 0.10 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3n4j h VAL 144 CO -0.15 0.07 -0.18 0.58 0.02 0.00 0.00 177.57 177.92 3n4j h VAL 145 N 0.21 1.30 -0.29 2.57 2.07 -1.08 -1.30 116.25 119.73 3n4j h VAL 145 Ca 0.06 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3n4j h VAL 145 Cb 0.02 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3n4j h VAL 145 CO -0.01 0.41 0.19 0.58 0.02 0.00 0.00 177.57 178.76 3n4j h VAL 146 N 0.38 1.07 -0.11 2.57 2.07 -0.88 -0.67 116.25 120.68 3n4j h VAL 146 Ca 0.06 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 3n4j h VAL 146 Cb 0.71 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3n4j h VAL 146 CO 0.05 0.07 -0.41 1.88 0.02 0.00 0.00 177.57 179.18 3n4j h TYR 147 N 0.39 0.28 -0.16 1.57 -1.99 -1.04 0.28 116.97 116.29 3n4j h TYR 147 Ca 0.11 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 3n4j h TYR 147 Cb -0.04 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3n4j h TYR 147 CO -0.06 0.61 -0.01 1.49 -0.00 0.00 0.00 178.16 180.20 3n4j h GLU 148 N 0.20 0.29 -0.23 4.88 4.57 -1.00 -0.25 114.58 123.04 3n4j h GLU 148 Ca 0.02 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3n4j h GLU 148 Cb 0.81 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 3n4j h GLU 148 CO 0.06 0.52 0.04 0.00 -1.18 0.00 0.00 179.01 178.46 3n4j h ALA 149 N 0.76 0.23 -0.81 2.92 0.00 -0.91 -1.28 119.26 120.17 3n4j h ALA 149 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3n4j h ALA 149 Cb 0.40 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3n4j h ALA 149 CO 0.01 -0.38 0.36 2.35 0.00 0.00 0.00 179.25 181.59 3n4j h TRP 150 N 0.13 1.19 -0.27 0.00 7.01 -0.89 -1.50 115.95 121.63 3n4j h TRP 150 Ca 0.11 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.07 3n4j h TRP 150 Cb 0.10 -0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 26.76 3n4j h TRP 150 CO -0.15 0.88 0.04 -0.09 -2.79 0.00 0.00 178.44 176.33 3n4j h ARG 151 N 1.17 0.14 -0.50 2.65 2.43 -0.82 -0.15 114.38 119.30 3n4j h ARG 151 Ca 0.28 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3n4j h ARG 151 Cb 0.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3n4j h ARG 151 CO -0.03 0.09 0.33 1.96 -1.51 0.00 0.00 179.97 180.81 3n4j h GLN 152 N 0.14 0.62 0.00 0.20 4.20 -0.68 -1.14 115.11 118.45 3n4j h GLN 152 Ca 0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3n4j h GLN 152 Cb 0.13 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3n4j h GLN 152 CO -0.17 0.41 0.00 1.28 -0.67 0.00 0.00 178.83 179.68 3n4j n LEU 153 N -4.47 0.00 0.00 1.46 4.77 -0.62 -4.89 117.00 113.26 3n4j n LEU 153 Ca 0.05 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3n4j n LEU 153 Cb 0.08 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3n4j n LEU 153 CO 0.35 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3n4j n GLY 154 N 0.86 0.50 3.98 -0.72 0.00 -0.43 -4.29 105.19 105.08 3n4j n GLY 154 Ca 0.09 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 3n4j n GLY 154 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3n4j n TYR 155 N -3.54 -1.61 -1.76 1.61 4.01 -0.12 -4.88 117.16 110.88 3n4j n TYR 155 Ca 0.00 0.66 -0.42 0.00 -0.16 0.00 0.00 57.90 57.99 3n4j n TYR 155 Cb 0.35 -3.54 -0.02 0.00 -0.31 0.00 0.00 39.34 35.82 3n4j n TYR 155 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3n4j s PRO 156 N -6.64 4.11 0.00 -0.72 0.04 -1.26 -1.54 135.00 128.99 3n4j s PRO 156 Ca 0.08 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3n4j s PRO 156 Cb -0.03 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3n4j s PRO 156 CO 0.90 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.69 3n4j n GLY 157 N 2.38 1.28 3.77 0.56 0.00 -1.26 -5.02 105.19 106.90 3n4j n GLY 157 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3n4j n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4j s ALA 158 N -2.39 2.85 0.15 4.61 0.00 -0.59 -4.99 121.76 121.41 3n4j s ALA 158 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 3n4j s ALA 158 Cb 0.00 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3n4j s ALA 158 CO 0.00 -0.67 1.36 -1.17 0.00 0.00 0.00 175.76 175.28 3n4j s LEU 159 N -3.37 4.39 0.00 0.00 2.96 -1.26 -5.14 118.68 116.26 3n4j s LEU 159 Ca 0.67 2.37 0.25 0.00 -0.22 0.00 0.00 54.13 57.21 3n4j s LEU 159 Cb -0.26 -3.60 0.40 0.00 0.50 0.00 0.00 46.19 43.23 3n4j s LEU 159 CO 0.30 -0.61 1.38 0.18 -1.32 0.00 0.00 176.35 176.28