#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1u h LEU 3 N 0.00 0.09 -0.73 1.04 5.85 -2.06 -2.83 115.31 116.67 3n1u h LEU 3 Ca 0.00 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3n1u h LEU 3 Cb 0.00 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3n1u h LEU 3 CO 0.00 0.06 0.18 0.78 -0.34 0.00 0.00 178.44 179.11 3n1u h ASN 4 N 0.31 1.08 0.10 1.25 2.35 -2.05 -2.12 115.58 116.50 3n1u h ASN 4 Ca 0.31 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 3n1u h ASN 4 Cb 0.43 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3n1u h ASN 4 CO -0.36 1.03 -0.37 0.71 -1.65 0.00 0.00 177.43 176.80 3n1u h THR 5 N 1.08 1.29 0.15 2.81 1.35 -1.97 -1.55 112.91 116.07 3n1u h THR 5 Ca 0.22 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 3n1u h THR 5 Cb 0.37 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3n1u h THR 5 CO 0.00 0.45 -0.07 -0.33 -0.25 0.00 0.00 175.52 175.32 3n1u h GLU 6 N 0.32 -0.19 -0.14 4.72 4.39 -1.34 -3.23 114.58 119.11 3n1u h GLU 6 Ca 0.03 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3n1u h GLU 6 Cb 0.79 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 3n1u h GLU 6 CO 0.06 0.03 -0.23 0.82 -1.16 0.00 0.00 179.01 178.53 3n1u h ILE 7 N -0.39 0.43 0.00 3.13 1.08 -1.30 0.63 117.51 121.10 3n1u h ILE 7 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3n1u h ILE 7 Cb 0.31 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3n1u h ILE 7 CO 0.03 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.87 3n1u n GLU 8 N -5.36 0.15 0.00 2.37 1.02 -0.59 -0.45 120.64 117.77 3n1u n GLU 8 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3n1u n GLU 8 Cb 0.28 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3n1u n GLU 8 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3n1u n ASN 10 N 0.83 0.00 -0.08 1.62 4.13 0.21 -1.33 115.26 120.64 3n1u n ASN 10 Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 3n1u n ASN 10 Cb 0.07 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.52 3n1u n ASN 10 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3n1u h GLU 11 N 0.00 0.72 -0.18 3.52 5.08 -1.01 0.54 114.58 123.25 3n1u h GLU 11 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3n1u h GLU 11 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3n1u h GLU 11 CO 0.00 0.71 -0.08 1.25 -1.00 0.00 0.00 179.01 179.89 3n1u h LEU 12 N 0.68 0.39 -0.82 1.33 5.85 -1.46 -2.36 115.31 118.92 3n1u h LEU 12 Ca 0.14 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3n1u h LEU 12 Cb 0.37 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3n1u h LEU 12 CO 0.01 0.70 0.52 -0.07 -0.34 0.00 0.00 178.44 179.26 3n1u h LEU 13 N 0.07 0.85 -0.96 2.25 3.38 -1.75 -1.45 115.31 117.70 3n1u h LEU 13 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3n1u h LEU 13 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3n1u h LEU 13 CO 0.02 0.57 0.51 -0.33 0.09 0.00 0.00 178.44 179.31 3n1u h GLU 14 N 0.99 1.24 -0.38 1.13 4.39 -0.82 0.50 114.58 121.64 3n1u h GLU 14 Ca 0.33 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.91 3n1u h GLU 14 Cb 0.04 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 3n1u h GLU 14 CO -0.13 0.89 0.23 0.87 -1.16 0.00 0.00 179.01 179.71 3n1u h LYS 15 N 1.25 0.46 -0.00 2.33 1.57 -0.97 -3.19 116.57 118.02 3n1u h LYS 15 Ca 0.32 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 3n1u h LYS 15 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3n1u h LYS 15 CO -0.05 0.31 -0.47 0.00 -0.57 0.00 0.00 179.45 178.66 3n1u h ALA 16 N 1.15 1.22 0.00 3.86 0.00 -0.89 -2.83 119.26 121.77 3n1u h ALA 16 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3n1u h ALA 16 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3n1u h ALA 16 CO -0.05 0.59 -0.01 0.87 0.00 0.00 0.00 179.25 180.65 3n1u h LYS 17 N 0.01 0.00 -0.00 0.00 1.57 -0.89 -2.82 116.57 114.44 3n1u h LYS 17 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3n1u h LYS 17 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3n1u h LYS 17 CO 0.06 0.01 -0.44 1.63 -0.57 0.00 0.00 179.45 180.14 3n1u n LYS 18 N -3.70 0.20 -2.33 3.15 5.02 -1.07 -4.89 118.16 114.55 3n1u n LYS 18 Ca -0.03 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 3n1u n LYS 18 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3n1u n LYS 18 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n1u s ILE 19 N -2.88 3.98 -0.22 -0.18 -1.09 -1.06 -4.49 121.20 115.25 3n1u s ILE 19 Ca 0.14 1.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 3n1u s ILE 19 Cb 0.18 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3n1u s ILE 19 CO 0.66 -0.02 0.21 0.29 -1.23 0.00 0.00 174.94 174.84 3n1u n LYS 20 N 5.50 5.27 -3.70 2.79 5.02 0.11 -4.98 118.16 128.18 3n1u n LYS 20 Ca 0.12 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3n1u n LYS 20 Cb 0.45 -0.72 -0.11 0.00 -0.02 0.00 0.00 35.03 34.62 3n1u n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n1u s LEU 22 N 1.44 4.23 -0.14 0.00 2.96 -0.30 -1.22 118.68 125.65 3n1u s LEU 22 Ca -0.09 0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3n1u s LEU 22 Cb -0.09 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 3n1u s LEU 22 CO -0.11 0.13 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.37 3n1u s ILE 23 N 0.43 3.81 0.03 6.68 1.01 0.09 -0.91 121.20 132.35 3n1u s ILE 23 Ca 0.13 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3n1u s ILE 23 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3n1u s ILE 23 CO 0.01 0.51 -0.21 0.00 0.00 0.00 0.00 174.94 175.25 3n1u s ASP 25 N -1.31 5.72 0.00 0.00 2.15 -0.97 -1.67 116.67 120.59 3n1u s ASP 25 Ca 0.13 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.40 3n1u s ASP 25 Cb -0.10 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3n1u s ASP 25 CO 0.04 -1.18 0.00 0.52 -0.17 0.00 0.00 175.17 174.38 3n1u n VAL 26 N -2.93 0.00 -2.23 1.11 0.31 -1.26 -3.45 118.33 109.89 3n1u n VAL 26 Ca 0.07 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 3n1u n VAL 26 Cb 0.56 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 3n1u n VAL 26 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3n1u s ASP 27 N -1.86 6.84 0.00 4.52 1.01 -1.26 -0.52 116.67 125.40 3n1u s ASP 27 Ca 0.00 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.31 3n1u s ASP 27 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3n1u s ASP 27 CO 0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.23 3n1u n GLY 28 N 3.72 1.23 1.18 0.21 0.00 -1.07 -4.81 105.19 105.64 3n1u n GLY 28 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3n1u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3n1u n VAL 29 N -2.00 1.00 0.46 1.61 0.31 -0.56 -3.94 118.33 115.21 3n1u n VAL 29 Ca 0.00 0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.79 3n1u n VAL 29 Cb 0.00 -1.40 0.26 0.00 -0.91 0.00 0.00 33.84 31.79 3n1u n VAL 29 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n1u h LEU 30 N 0.00 0.00 -9.85 7.52 3.38 -0.83 -2.02 115.31 113.52 3n1u h LEU 30 Ca 0.00 -0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.33 3n1u h LEU 30 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3n1u h LEU 30 CO 0.00 0.02 -0.52 -0.94 0.09 0.00 0.00 178.44 177.09 3n1u s SER 31 N -4.98 4.25 0.00 -0.43 1.04 -0.94 -4.04 113.70 108.59 3n1u s SER 31 Ca 0.08 -1.21 0.10 0.00 0.48 0.00 0.00 55.95 55.40 3n1u s SER 31 Cb 0.10 -0.37 0.47 0.00 0.10 0.00 0.00 66.02 66.32 3n1u s SER 31 CO 0.66 -0.55 1.28 -0.90 0.98 0.00 0.00 173.24 174.71 3n1u n ASP 32 N -1.17 0.00 0.00 7.02 5.68 -1.22 -2.29 116.55 124.56 3n1u n ASP 32 Ca -0.03 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 3n1u n ASP 32 Cb 0.65 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3n1u n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n1u n GLY 33 N -0.44 0.41 3.83 6.12 0.00 -1.26 -4.68 105.19 109.17 3n1u n GLY 33 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3n1u n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n1u s LEU 34 N 0.00 4.24 -0.28 0.99 1.43 -1.26 -4.72 118.68 119.08 3n1u s LEU 34 Ca 0.00 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3n1u s LEU 34 Cb 0.00 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.55 3n1u s LEU 34 CO 0.00 -0.04 -0.04 -0.76 0.23 0.00 0.00 176.35 175.74 3n1u s LEU 35 N -2.36 3.61 -0.17 1.79 1.43 -1.26 -4.65 118.68 117.07 3n1u s LEU 35 Ca 0.46 -1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 3n1u s LEU 35 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3n1u s LEU 35 CO 0.20 -0.21 0.42 -1.00 0.23 0.00 0.00 176.35 175.99 3n1u s HIS 36 N 1.25 3.43 -0.05 0.29 3.76 -0.83 -4.95 115.29 118.20 3n1u s HIS 36 Ca -0.04 0.73 0.03 0.00 -0.15 0.00 0.00 55.06 55.62 3n1u s HIS 36 Cb -0.19 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 30.98 3n1u s HIS 36 CO -0.03 0.08 -0.14 0.42 -0.85 0.00 0.00 174.74 174.22 3n1u s ILE 37 N 0.99 1.18 0.59 0.60 1.01 -1.26 -0.87 121.20 123.44 3n1u s ILE 37 Ca 0.22 -0.56 0.10 0.00 0.00 0.00 0.00 60.65 60.41 3n1u s ILE 37 Cb -0.15 -1.04 0.09 0.00 0.01 0.00 0.00 42.46 41.37 3n1u s ILE 37 CO 0.08 0.35 0.80 1.51 0.00 0.00 0.00 174.94 177.69 3n1u s ASP 38 N 0.26 5.05 0.62 3.58 -4.77 -0.54 -4.98 116.67 115.89 3n1u s ASP 38 Ca -0.07 -0.89 0.39 0.00 -3.30 0.00 0.00 52.55 48.68 3n1u s ASP 38 Cb -0.12 0.38 2.03 0.00 -1.09 0.00 0.00 42.92 44.12 3n1u s ASP 38 CO 0.02 -1.38 2.24 0.78 0.70 0.00 0.00 175.17 177.53 3n1u h ASN 39 N 0.15 0.00 -0.41 2.11 2.35 -2.01 -2.15 115.58 115.61 3n1u h ASN 39 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3n1u h ASN 39 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3n1u h ASN 39 CO 0.41 0.01 0.00 1.41 -1.65 0.00 0.00 177.43 177.61 3n1u n HIS 40 N -3.19 0.53 -0.99 1.19 8.25 -1.26 -4.96 115.22 114.79 3n1u n HIS 40 Ca -0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3n1u n HIS 40 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3n1u n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n1u n GLY 41 N 1.52 0.63 3.73 -1.41 0.00 -0.81 -5.05 105.19 103.81 3n1u n GLY 41 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3n1u n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3n1u s ASN 42 N -2.33 4.43 0.07 1.61 2.47 -1.26 -4.79 114.94 115.14 3n1u s ASN 42 Ca 0.00 2.32 0.04 0.00 0.42 0.00 0.00 52.86 55.64 3n1u s ASN 42 Cb 0.00 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 3n1u s ASN 42 CO 0.00 -2.10 -0.11 -1.61 -3.72 0.00 0.00 177.10 169.56 3n1u s GLU 43 N -3.85 0.74 0.05 0.43 2.02 -1.26 -1.47 118.70 115.36 3n1u s GLU 43 Ca 0.74 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 3n1u s GLU 43 Cb -0.28 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 3n1u s GLU 43 CO 0.43 0.11 -0.02 -0.51 0.02 0.00 0.00 175.26 175.30 3n1u s LEU 44 N -1.92 2.39 0.23 1.80 1.02 -0.05 -4.91 118.68 117.25 3n1u s LEU 44 Ca -0.02 -0.89 0.04 0.00 0.02 0.00 0.00 54.13 53.28 3n1u s LEU 44 Cb -0.08 0.23 -0.05 0.00 0.02 0.00 0.00 46.19 46.31 3n1u s LEU 44 CO 0.01 -0.55 -0.01 -0.54 0.02 0.00 0.00 176.35 175.28 3n1u s LYS 45 N -3.47 1.34 -0.16 1.70 1.02 -1.26 -1.96 119.74 116.95 3n1u s LYS 45 Ca 0.03 -1.67 0.01 0.00 0.02 0.00 0.00 55.97 54.35 3n1u s LYS 45 Cb 0.05 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 3n1u s LYS 45 CO -0.08 -0.08 -0.17 -1.12 -0.92 0.00 0.00 175.35 172.97 3n1u s SER 46 N -3.31 2.87 0.31 2.83 0.01 -1.26 -5.06 113.70 110.09 3n1u s SER 46 Ca 0.28 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 57.07 3n1u s SER 46 Cb 0.05 -1.31 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3n1u s SER 46 CO 0.09 -0.01 0.14 -0.36 0.41 0.00 0.00 173.24 173.50 3n1u s PHE 47 N 1.29 2.78 -0.11 2.43 0.08 -1.26 -4.00 117.98 119.19 3n1u s PHE 47 Ca 0.02 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.77 3n1u s PHE 47 Cb -0.13 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3n1u s PHE 47 CO -0.10 0.39 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.73 3n1u s HIS 48 N -2.35 2.84 0.44 0.36 2.46 -1.26 -5.01 115.29 112.78 3n1u s HIS 48 Ca 0.36 -0.40 0.10 0.00 0.47 0.00 0.00 55.06 55.59 3n1u s HIS 48 Cb -0.04 -1.80 0.99 0.00 -0.13 0.00 0.00 32.58 31.60 3n1u s HIS 48 CO 0.23 -0.03 2.08 -0.39 -2.47 0.00 0.00 174.74 174.15 3n1u h VAL 49 N 5.00 1.06 -0.03 0.89 -1.51 -1.98 -1.92 116.25 117.76 3n1u h VAL 49 Ca -0.34 -0.13 -0.09 0.00 -1.23 0.00 0.00 66.70 64.91 3n1u h VAL 49 Cb 1.19 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 3n1u h VAL 49 CO 0.55 0.07 -0.42 1.56 -1.23 0.00 0.00 177.57 178.11 3n1u h GLN 50 N 0.38 0.05 -0.19 5.19 4.20 -1.98 -3.03 115.11 119.74 3n1u h GLN 50 Ca 0.12 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 3n1u h GLN 50 Cb 0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3n1u h GLN 50 CO -0.03 0.46 -0.56 -0.44 -0.67 0.00 0.00 178.83 177.59 3n1u h ASP 51 N 0.05 0.82 0.00 1.46 3.32 -1.73 -1.53 116.42 118.81 3n1u h ASP 51 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3n1u h ASP 51 Cb 0.76 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3n1u h ASP 51 CO 0.06 1.27 0.00 0.61 -1.72 0.00 0.00 179.24 179.45 3n1u n GLY 52 N 0.55 0.00 3.27 2.75 0.00 -0.79 -1.54 105.19 109.42 3n1u n GLY 52 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3n1u n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n1u n GLY 54 N 0.75 0.00 0.30 -0.02 0.00 -0.58 -1.59 105.19 104.05 3n1u n GLY 54 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3n1u n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n1u h LEU 55 N 0.00 1.01 -1.10 0.99 3.38 -1.57 -0.92 115.31 117.11 3n1u h LEU 55 Ca 0.00 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3n1u h LEU 55 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3n1u h LEU 55 CO 0.00 1.06 -0.20 0.11 0.09 0.00 0.00 178.44 179.50 3n1u h LYS 56 N 0.95 0.40 -0.41 1.13 1.57 -1.56 -2.80 116.57 115.85 3n1u h LYS 56 Ca 0.17 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3n1u h LYS 56 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3n1u h LYS 56 CO 0.03 0.58 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.28 3n1u h LEU 57 N 0.36 0.84 -1.24 2.94 3.38 -1.73 -0.25 115.31 119.61 3n1u h LEU 57 Ca 0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3n1u h LEU 57 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3n1u h LEU 57 CO 0.04 1.03 0.00 0.18 0.09 0.00 0.00 178.44 179.78 3n1u n LEU 58 N -4.27 0.00 0.00 1.67 4.77 -0.39 -1.85 117.00 116.94 3n1u n LEU 58 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3n1u n LEU 58 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3n1u n LEU 58 CO 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 3n1u n ALA 60 N 0.54 0.00 1.13 -1.18 0.00 -0.10 -0.97 120.51 119.93 3n1u n ALA 60 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3n1u n ALA 60 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 3n1u n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n1u n ALA 61 N 0.00 2.50 -0.70 0.00 0.00 -0.77 -4.76 120.51 116.78 3n1u n ALA 61 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3n1u n ALA 61 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3n1u n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1u n GLY 62 N 1.13 0.63 3.67 0.00 0.00 -0.99 -5.01 105.19 104.63 3n1u n GLY 62 Ca 0.15 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3n1u n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n1u s ILE 63 N -2.00 5.27 0.52 -0.61 1.01 -0.14 -5.02 121.20 120.22 3n1u s ILE 63 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.92 3n1u s ILE 63 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 3n1u s ILE 63 CO 0.00 0.30 1.36 -1.58 0.00 0.00 0.00 174.94 175.02 3n1u s GLN 64 N 1.16 3.30 -0.02 2.79 2.00 -0.87 -4.78 119.66 123.24 3n1u s GLN 64 Ca 0.15 2.24 0.05 0.00 -2.00 0.00 0.00 55.36 55.80 3n1u s GLN 64 Cb -0.14 -2.36 -0.01 0.00 0.80 0.00 0.00 33.01 31.30 3n1u s GLN 64 CO 0.06 -1.06 -0.17 0.08 -0.50 0.00 0.00 175.29 173.69 3n1u s VAL 65 N -1.30 1.40 0.04 1.34 1.01 -1.26 -1.15 120.40 120.48 3n1u s VAL 65 Ca 0.69 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3n1u s VAL 65 Cb -0.40 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3n1u s VAL 65 CO 0.49 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.98 3n1u s ALA 66 N -0.29 0.29 -0.01 5.51 0.00 -0.09 -4.38 121.76 122.79 3n1u s ALA 66 Ca 0.04 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3n1u s ALA 66 Cb -0.08 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3n1u s ALA 66 CO 0.00 -0.32 -0.26 0.42 0.00 0.00 0.00 175.76 175.61 3n1u s ILE 67 N -3.11 2.03 -0.13 0.00 1.09 -0.68 -0.40 121.20 120.01 3n1u s ILE 67 Ca -0.01 -1.14 -0.01 0.00 -1.10 0.00 0.00 60.65 58.39 3n1u s ILE 67 Cb 0.02 -1.70 0.04 0.00 -1.06 0.00 0.00 42.46 39.76 3n1u s ILE 67 CO -0.07 0.53 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.65 3n1u s ILE 68 N -0.64 0.76 0.05 2.92 1.01 -0.67 -1.10 121.20 123.54 3n1u s ILE 68 Ca 0.10 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3n1u s ILE 68 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3n1u s ILE 68 CO -0.00 0.17 -0.08 0.28 0.00 0.00 0.00 174.94 175.31 3n1u s THR 69 N 1.80 0.56 -0.01 2.92 -1.32 0.70 -4.20 115.64 116.08 3n1u s THR 69 Ca 0.03 -1.21 0.13 0.00 -1.21 0.00 0.00 61.69 59.43 3n1u s THR 69 Cb -0.14 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3n1u s THR 69 CO -0.07 -0.46 1.46 0.74 -2.21 0.00 0.00 174.62 174.08 3n1u h THR 70 N 4.26 1.11 -3.30 5.08 2.02 -1.84 0.54 112.91 120.78 3n1u h THR 70 Ca -0.36 -2.41 -0.57 0.00 0.77 0.00 0.00 66.41 63.84 3n1u h THR 70 Cb 1.20 2.44 0.13 0.00 -1.74 0.00 0.00 68.15 70.17 3n1u h THR 70 CO 0.44 0.60 0.33 0.00 0.37 0.00 0.00 175.52 177.27 3n1u n ALA 71 N -2.28 0.74 -0.01 6.16 0.00 -1.26 -3.02 120.51 120.84 3n1u n ALA 71 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3n1u n ALA 71 Cb 0.75 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3n1u n ALA 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n1u n GLN 72 N 0.08 5.70 -1.81 0.00 6.02 -1.26 -0.87 117.38 125.23 3n1u n GLN 72 Ca 0.08 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 3n1u n GLN 72 Cb 0.39 -0.52 0.06 0.00 1.02 0.00 0.00 30.24 31.19 3n1u n GLN 72 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3n1u s ASN 73 N -0.83 5.21 0.54 1.08 2.20 -1.26 -4.93 114.94 116.95 3n1u s ASN 73 Ca 0.00 1.16 0.34 0.00 -0.94 0.00 0.00 52.86 53.42 3n1u s ASN 73 Cb 0.00 -1.93 1.43 0.00 -2.00 0.00 0.00 41.25 38.76 3n1u s ASN 73 CO 0.00 -1.49 2.00 0.00 -2.94 0.00 0.00 177.10 174.67 3n1u h ALA 74 N -0.76 1.00 -0.82 3.54 0.00 -1.98 -2.81 119.26 117.43 3n1u h ALA 74 Ca -0.45 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.66 3n1u h ALA 74 Cb 1.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3n1u h ALA 74 CO 0.63 0.00 0.13 0.28 0.00 0.00 0.00 179.25 180.29 3n1u h VAL 75 N 0.00 0.34 -0.26 0.00 2.07 -1.92 -1.51 116.25 114.96 3n1u h VAL 75 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3n1u h VAL 75 Cb 0.46 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3n1u h VAL 75 CO 0.00 0.03 0.16 0.58 0.02 0.00 0.00 177.57 178.36 3n1u h VAL 76 N 0.17 1.10 -0.72 2.57 2.07 -1.88 -1.39 116.25 118.17 3n1u h VAL 76 Ca 0.48 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.78 3n1u h VAL 76 Cb 0.91 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3n1u h VAL 76 CO -0.65 0.09 0.47 0.44 0.02 0.00 0.00 177.57 177.94 3n1u h ASP 77 N 0.33 0.83 -0.55 0.57 3.32 -1.52 -2.50 116.42 116.89 3n1u h ASP 77 Ca 0.09 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3n1u h ASP 77 Cb 0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3n1u h ASP 77 CO -0.02 0.60 0.25 0.45 -1.72 0.00 0.00 179.24 178.81 3n1u h HIS 78 N 0.97 0.80 0.00 4.55 3.86 -1.05 -0.76 115.15 123.53 3n1u h HIS 78 Ca 0.26 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3n1u h HIS 78 Cb -0.10 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.12 3n1u h HIS 78 CO -0.02 0.63 0.00 -2.13 0.86 0.00 0.00 177.93 177.27 3n1u n ARG 79 N -4.55 0.27 0.00 2.45 3.00 -0.55 -1.66 116.66 115.63 3n1u n ARG 79 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3n1u n ARG 79 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3n1u n ARG 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3n1u n GLU 81 N 0.73 0.00 -0.22 -0.14 2.13 -0.29 -1.68 120.64 121.17 3n1u n GLU 81 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 3n1u n GLU 81 Cb 0.12 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.90 3n1u n GLU 81 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3n1u h GLN 82 N 0.00 0.72 -0.00 5.31 4.20 -1.57 -2.59 115.11 121.17 3n1u h GLN 82 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3n1u h GLN 82 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3n1u h GLN 82 CO 0.00 0.47 -0.15 1.28 -0.67 0.00 0.00 178.83 179.76 3n1u n LEU 83 N -4.73 0.52 -1.50 1.46 4.77 -0.67 -4.94 117.00 111.91 3n1u n LEU 83 Ca 0.06 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3n1u n LEU 83 Cb 0.10 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3n1u n LEU 83 CO 0.32 0.10 -0.17 0.61 -1.33 0.00 0.00 177.39 176.92 3n1u n GLY 84 N 1.32 -0.09 3.58 -0.72 0.00 -0.98 -4.90 105.19 103.41 3n1u n GLY 84 Ca 0.13 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3n1u n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n1u s ILE 85 N -2.66 4.90 -0.13 -0.61 1.01 -1.26 -4.93 121.20 117.51 3n1u s ILE 85 Ca 0.00 0.72 0.19 0.00 0.00 0.00 0.00 60.65 61.55 3n1u s ILE 85 Cb 0.00 -4.06 -0.25 0.00 0.01 0.00 0.00 42.46 38.17 3n1u s ILE 85 CO 0.00 -0.25 0.36 0.35 0.00 0.00 0.00 174.94 175.39 3n1u n THR 86 N 5.52 1.00 -2.81 2.92 -2.24 -1.26 -4.60 114.28 112.81 3n1u n THR 86 Ca -0.01 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 3n1u n THR 86 Cb 0.49 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3n1u n THR 86 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3n1u s HIS 87 N -2.85 2.82 0.04 4.78 3.76 -1.26 -4.98 115.29 117.60 3n1u s HIS 87 Ca -0.08 -0.97 -0.15 0.00 -0.15 0.00 0.00 55.06 53.72 3n1u s HIS 87 Cb 0.09 -4.39 0.02 0.00 1.11 0.00 0.00 32.58 29.41 3n1u s HIS 87 CO 0.85 -1.66 0.33 1.52 -0.85 0.00 0.00 174.74 174.93 3n1u s TYR 88 N 3.72 -0.15 -0.06 1.40 1.13 -1.26 -1.68 117.35 120.45 3n1u s TYR 88 Ca 0.33 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 56.03 3n1u s TYR 88 Cb -0.07 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.94 3n1u s TYR 88 CO -0.03 -0.52 -0.01 0.71 -2.51 0.00 0.00 175.55 173.20 3n1u s TYR 89 N -2.48 0.67 0.23 -3.49 1.51 -0.25 -4.97 117.35 108.57 3n1u s TYR 89 Ca -0.05 -0.17 0.09 0.00 -1.01 0.00 0.00 57.07 55.93 3n1u s TYR 89 Cb -0.01 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 3n1u s TYR 89 CO -0.03 -0.29 -0.04 0.15 -1.11 0.00 0.00 175.55 174.23 3n1u s LYS 90 N 1.67 2.19 -1.45 -0.62 1.02 -1.26 -0.21 119.74 121.08 3n1u s LYS 90 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.64 3n1u s LYS 90 Cb -0.13 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 3n1u s LYS 90 CO -0.04 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 3n1u n GLY 91 N -0.50 0.92 3.51 -3.33 0.00 -0.05 -4.92 105.19 100.83 3n1u n GLY 91 Ca -0.08 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3n1u n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n1u s GLN 92 N -3.74 3.27 -0.15 1.61 -1.52 0.09 -4.89 119.66 114.33 3n1u s GLN 92 Ca 0.00 -0.47 -0.18 0.00 -1.95 0.00 0.00 55.36 52.75 3n1u s GLN 92 Cb 0.00 -3.93 -0.16 0.00 -0.22 0.00 0.00 33.01 28.70 3n1u s GLN 92 CO 0.00 -0.89 0.32 0.28 -0.25 0.00 0.00 175.29 174.75 3n1u h VAL 93 N 5.78 0.94 -3.40 1.09 2.07 -1.89 -3.21 116.25 117.63 3n1u h VAL 93 Ca -0.26 -1.85 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 3n1u h VAL 93 Cb 1.11 1.92 -0.10 0.00 -1.52 0.00 0.00 31.29 32.70 3n1u h VAL 93 CO 0.84 0.32 -0.15 -0.62 0.02 0.00 0.00 177.57 177.97 3n1u s ASP 94 N -6.21 6.56 0.00 0.57 -1.08 -1.26 -4.87 116.67 110.38 3n1u s ASP 94 Ca -0.18 0.66 0.23 0.00 -0.52 0.00 0.00 52.55 52.75 3n1u s ASP 94 Cb 0.01 -2.26 0.16 0.00 -1.46 0.00 0.00 42.92 39.36 3n1u s ASP 94 CO 0.46 -0.05 1.18 0.29 0.52 0.00 0.00 175.17 177.57 3n1u n LYS 95 N 4.16 0.69 -0.27 4.34 5.02 -1.26 -4.46 118.16 126.38 3n1u n LYS 95 Ca -0.07 -0.53 -0.06 0.00 -2.02 0.00 0.00 58.31 55.63 3n1u n LYS 95 Cb 0.51 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.09 3n1u n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n1u h ARG 96 N 1.30 1.04 -0.43 1.97 3.08 -1.95 -2.13 114.38 117.26 3n1u h ARG 96 Ca 0.00 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3n1u h ARG 96 Cb 0.61 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3n1u h ARG 96 CO 0.00 0.78 -0.20 1.03 -1.07 0.00 0.00 179.97 180.52 3n1u h SER 97 N 1.02 0.86 -0.57 7.04 0.87 -2.01 -1.71 113.55 119.05 3n1u h SER 97 Ca 0.26 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 3n1u h SER 97 Cb 0.06 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3n1u h SER 97 CO -0.04 1.04 0.10 0.00 -0.53 0.00 0.00 176.83 177.40 3n1u h ALA 98 N 1.03 0.76 -0.77 6.23 0.00 -1.78 -2.00 119.26 122.73 3n1u h ALA 98 Ca 0.11 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3n1u h ALA 98 Cb 0.73 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3n1u h ALA 98 CO 0.06 0.51 0.48 -0.92 0.00 0.00 0.00 179.25 179.37 3n1u h TYR 99 N 0.85 0.89 -0.27 0.00 3.20 -1.13 -0.65 116.97 119.86 3n1u h TYR 99 Ca 0.18 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 3n1u h TYR 99 Cb 0.41 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3n1u h TYR 99 CO 0.03 0.49 -0.26 0.37 -1.64 0.00 0.00 178.16 177.15 3n1u h GLN 100 N 0.91 0.52 -0.35 1.82 5.75 -1.09 0.37 115.11 123.04 3n1u h GLN 100 Ca 0.32 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3n1u h GLN 100 Cb 0.08 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3n1u h GLN 100 CO -0.14 0.74 -0.02 1.25 -2.65 0.00 0.00 178.83 178.01 3n1u h HIS 101 N 0.46 0.70 -0.82 3.99 2.76 -1.07 -1.45 115.15 119.71 3n1u h HIS 101 Ca 0.06 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3n1u h HIS 101 Cb 0.70 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 3n1u h HIS 101 CO 0.02 0.75 0.42 1.25 -1.30 0.00 0.00 177.93 179.08 3n1u h LEU 102 N 0.45 1.05 -0.57 0.26 5.85 -0.80 -0.97 115.31 120.58 3n1u h LEU 102 Ca 0.10 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3n1u h LEU 102 Cb 0.49 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3n1u h LEU 102 CO 0.02 0.87 0.32 0.50 -0.34 0.00 0.00 178.44 179.82 3n1u h LYS 103 N 1.16 0.79 -0.61 1.25 3.64 -0.73 -0.79 116.57 121.28 3n1u h LYS 103 Ca 0.29 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3n1u h LYS 103 Cb 0.08 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3n1u h LYS 103 CO -0.04 0.59 0.28 0.87 -2.27 0.00 0.00 179.45 178.89 3n1u h LYS 104 N 0.77 0.88 -0.61 1.90 1.57 -0.94 0.72 116.57 120.86 3n1u h LYS 104 Ca 0.20 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3n1u h LYS 104 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3n1u h LYS 104 CO -0.03 0.72 0.27 1.15 -0.57 0.00 0.00 179.45 180.98 3n1u h THR 105 N 0.83 1.22 0.00 -0.16 2.02 -0.68 -3.20 112.91 112.94 3n1u h THR 105 Ca 0.21 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3n1u h THR 105 Cb 0.13 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3n1u h THR 105 CO -0.02 0.27 -1.22 -0.07 0.37 0.00 0.00 175.52 174.85 3n1u h LEU 106 N 0.84 0.00 0.17 2.58 3.38 -1.05 -3.48 115.31 117.76 3n1u h LEU 106 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3n1u h LEU 106 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3n1u h LEU 106 CO -0.02 0.45 -0.04 0.61 0.09 0.00 0.00 178.44 179.53 3n1u n GLY 107 N 1.33 0.45 3.92 0.83 0.00 0.24 -5.03 105.19 106.92 3n1u n GLY 107 Ca -0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 3n1u n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n1u s LEU 108 N -0.52 4.24 0.62 0.99 1.43 -1.22 -5.08 118.68 119.14 3n1u s LEU 108 Ca 0.00 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3n1u s LEU 108 Cb 0.00 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 3n1u s LEU 108 CO 0.00 -0.01 1.05 0.20 0.23 0.00 0.00 176.35 177.81 3n1u s ASN 109 N -2.99 5.77 0.29 2.29 0.01 -1.26 -4.94 114.94 114.11 3n1u s ASN 109 Ca 0.39 1.70 0.03 0.00 -0.71 0.00 0.00 52.86 54.27 3n1u s ASN 109 Cb -0.11 -2.51 0.67 0.00 0.41 0.00 0.00 41.25 39.70 3n1u s ASN 109 CO 0.28 -1.18 1.77 0.44 -1.51 0.00 0.00 177.10 176.90 3n1u h ASP 110 N 0.06 0.68 0.00 -1.22 3.32 -1.97 0.01 116.42 117.30 3n1u h ASP 110 Ca -0.46 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3n1u h ASP 110 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3n1u h ASP 110 CO 0.58 0.25 0.00 -0.90 -1.72 0.00 0.00 179.24 177.45 3n1u n ASP 111 N -4.81 0.00 -0.91 6.45 5.75 -1.26 -1.63 116.55 120.14 3n1u n ASP 111 Ca 0.21 -1.08 0.11 0.00 -0.01 0.00 0.00 54.79 54.02 3n1u n ASP 111 Cb 0.53 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.71 3n1u n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3n1u n GLU 112 N -0.88 2.16 -3.80 0.11 1.02 -0.01 -4.23 120.64 115.01 3n1u n GLU 112 Ca 0.16 -1.85 -0.36 0.00 -0.02 0.00 0.00 57.16 55.09 3n1u n GLU 112 Cb 0.07 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 3n1u n GLU 112 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3n1u s PHE 113 N -1.92 3.61 0.17 -0.32 0.08 -0.84 0.09 117.98 118.86 3n1u s PHE 113 Ca 0.27 0.59 0.06 0.00 0.12 0.00 0.00 56.93 57.96 3n1u s PHE 113 Cb 0.19 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3n1u s PHE 113 CO 0.29 0.69 0.10 0.00 -0.10 0.00 0.00 175.22 176.20 3n1u s ALA 114 N -1.13 3.47 -0.09 5.36 0.00 -0.35 -1.38 121.76 127.63 3n1u s ALA 114 Ca 0.20 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3n1u s ALA 114 Cb -0.13 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.77 3n1u s ALA 114 CO 0.10 0.50 0.20 -0.47 0.00 0.00 0.00 175.76 176.09 3n1u s TYR 115 N -1.74 -0.26 -0.15 0.00 6.14 -0.29 -0.73 117.35 120.32 3n1u s TYR 115 Ca 0.30 0.66 0.02 0.00 0.64 0.00 0.00 57.07 58.69 3n1u s TYR 115 Cb -0.10 -0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.27 3n1u s TYR 115 CO 0.22 -0.21 -0.20 -1.50 0.64 0.00 0.00 175.55 174.50 3n1u s ILE 116 N 1.31 2.24 0.23 3.14 2.07 -0.70 0.11 121.20 129.60 3n1u s ILE 116 Ca -0.08 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 3n1u s ILE 116 Cb -0.11 -1.92 -0.04 0.00 0.13 0.00 0.00 42.46 40.52 3n1u s ILE 116 CO -0.07 0.54 0.13 -0.83 -1.91 0.00 0.00 174.94 172.80 3n1u s GLY 117 N 0.89 1.61 0.00 1.50 0.00 -0.25 -2.30 107.32 108.77 3n1u s GLY 117 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.91 3n1u s GLY 117 CO -0.03 -1.46 0.00 2.09 0.00 0.00 0.00 173.10 173.70 3n1u n ASP 118 N -0.43 0.33 -4.03 1.64 5.75 -1.26 -2.46 116.55 116.09 3n1u n ASP 118 Ca 0.02 -0.07 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 3n1u n ASP 118 Cb 0.66 0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 40.86 3n1u n ASP 118 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3n1u s ASP 119 N -0.27 0.78 0.38 -1.12 -1.08 -1.26 -0.96 116.67 113.14 3n1u s ASP 119 Ca 0.00 -1.48 0.08 0.00 -0.52 0.00 0.00 52.55 50.63 3n1u s ASP 119 Cb 0.00 0.39 0.84 0.00 -1.46 0.00 0.00 42.92 42.68 3n1u s ASP 119 CO 0.00 -0.88 1.96 -0.07 0.52 0.00 0.00 175.17 176.71 3n1u h LEU 120 N 2.44 0.57 -0.74 -1.34 3.38 -2.01 -0.41 115.31 117.20 3n1u h LEU 120 Ca -0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3n1u h LEU 120 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3n1u h LEU 120 CO 0.51 0.36 0.00 -2.65 0.09 0.00 0.00 178.44 176.74 3n1u n PRO 121 N -4.48 0.15 0.21 1.13 -0.02 -1.26 -1.55 135.00 129.18 3n1u n PRO 121 Ca 0.10 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 3n1u n PRO 121 Cb 0.27 -1.83 0.15 0.00 -0.02 0.00 0.00 33.50 32.07 3n1u n PRO 121 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3n1u h ASP 122 N 0.00 0.00 -0.41 2.55 3.32 -1.45 -3.40 116.42 117.03 3n1u h ASP 122 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3n1u h ASP 122 Cb 0.27 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 3n1u h ASP 122 CO 0.00 0.03 0.00 -0.07 -1.72 0.00 0.00 179.24 177.48 3n1u h LEU 123 N 0.00 -0.16 -1.35 1.55 3.38 -1.32 -0.13 115.31 117.28 3n1u h LEU 123 Ca -0.00 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3n1u h LEU 123 Cb 1.02 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3n1u h LEU 123 CO 0.00 -0.04 -0.04 -0.65 0.09 0.00 0.00 178.44 177.80 3n1u h PRO 124 N 0.11 0.38 -0.22 1.13 0.11 -1.78 -1.09 132.00 130.64 3n1u h PRO 124 Ca 0.20 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 3n1u h PRO 124 Cb 0.29 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3n1u h PRO 124 CO -0.34 0.44 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.49 3n1u h LEU 125 N 0.37 0.67 -0.96 2.35 3.38 -1.69 -2.14 115.31 117.29 3n1u h LEU 125 Ca 0.08 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3n1u h LEU 125 Cb 0.32 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3n1u h LEU 125 CO 0.01 1.07 0.62 0.40 0.09 0.00 0.00 178.44 180.63 3n1u h ILE 126 N 0.30 1.10 0.00 1.22 2.04 -0.69 -2.13 117.51 119.35 3n1u h ILE 126 Ca 0.02 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.34 3n1u h ILE 126 Cb 0.93 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3n1u h ILE 126 CO 0.08 0.21 -0.67 1.56 0.00 0.00 0.00 178.15 179.32 3n1u h GLN 127 N 1.15 0.00 0.18 2.37 4.20 -1.22 -3.33 115.11 118.46 3n1u h GLN 127 Ca 0.41 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.80 3n1u h GLN 127 Cb 0.12 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 3n1u h GLN 127 CO -0.16 0.67 -1.45 0.37 -0.67 0.00 0.00 178.83 177.60 3n1u h GLN 128 N 0.00 0.38 -7.59 1.46 4.15 -0.82 -3.48 115.11 109.21 3n1u h GLN 128 Ca -0.01 -0.65 -0.46 0.00 0.77 0.00 0.00 58.65 58.30 3n1u h GLN 128 Cb 1.26 0.24 0.12 0.00 0.21 0.00 0.00 27.48 29.31 3n1u h GLN 128 CO 0.09 1.29 0.37 0.14 -1.93 0.00 0.00 178.83 178.78 3n1u s VAL 129 N -2.62 1.99 0.21 2.39 -7.23 -0.85 -4.73 120.40 109.56 3n1u s VAL 129 Ca -0.08 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.03 3n1u s VAL 129 Cb 0.06 -2.90 0.06 0.00 0.56 0.00 0.00 36.38 34.15 3n1u s VAL 129 CO 0.90 0.00 1.65 1.23 -0.31 0.00 0.00 175.10 178.57 3n1u h GLY 130 N -1.31 0.96 -6.93 2.32 0.00 -0.25 -3.39 103.07 94.47 3n1u h GLY 130 Ca -0.47 -0.76 -0.59 0.00 0.00 0.00 0.00 47.33 45.51 3n1u h GLY 130 CO 0.61 0.69 -0.77 -2.27 0.00 0.00 0.00 176.54 174.80 3n1u s LEU 131 N -9.09 1.90 -0.21 3.11 2.96 -1.01 -4.92 118.68 111.42 3n1u s LEU 131 Ca -0.10 -2.05 -0.15 0.00 -0.22 0.00 0.00 54.13 51.61 3n1u s LEU 131 Cb 0.13 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 3n1u s LEU 131 CO 0.84 -0.35 0.35 -0.83 -1.32 0.00 0.00 176.35 175.05 3n1u s GLY 132 N 1.14 2.05 -0.04 7.98 0.00 -1.25 -1.13 107.32 116.07 3n1u s GLY 132 Ca 0.14 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.31 3n1u s GLY 132 CO -0.12 0.76 -0.21 0.14 0.00 0.00 0.00 173.10 173.66 3n1u s VAL 133 N 1.33 1.72 -0.17 1.40 1.01 0.30 -0.41 120.40 125.58 3n1u s VAL 133 Ca 0.17 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3n1u s VAL 133 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3n1u s VAL 133 CO 0.07 0.49 0.05 0.00 0.00 0.00 0.00 175.10 175.71 3n1u s ALA 134 N -0.25 3.38 0.76 5.51 0.00 -0.34 -1.09 121.76 129.74 3n1u s ALA 134 Ca 0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 3n1u s ALA 134 Cb -0.11 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.22 3n1u s ALA 134 CO 0.01 0.24 1.18 0.14 0.00 0.00 0.00 175.76 177.32 3n1u s VAL 135 N 0.20 2.43 0.32 0.00 -7.23 -1.03 -1.28 120.40 113.81 3n1u s VAL 135 Ca 0.04 0.19 0.29 0.00 -1.81 0.00 0.00 61.98 60.69 3n1u s VAL 135 Cb -0.12 -2.63 0.31 0.00 0.56 0.00 0.00 36.38 34.49 3n1u s VAL 135 CO 0.01 -0.14 2.03 0.77 -0.31 0.00 0.00 175.10 177.46 3n1u h SER 136 N -0.66 0.00 -0.43 4.85 4.64 -1.59 -1.85 113.55 118.51 3n1u h SER 136 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3n1u h SER 136 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3n1u h SER 136 CO 0.49 0.11 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 3n1u n ASN 137 N -3.42 3.20 -4.71 4.97 6.94 -1.26 -4.97 115.26 116.01 3n1u n ASN 137 Ca -0.01 -2.26 -0.31 0.00 -0.02 0.00 0.00 54.58 51.99 3n1u n ASN 137 Cb 0.28 -0.45 0.14 0.00 -2.36 0.00 0.00 39.78 37.39 3n1u n ASN 137 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3n1u s ALA 138 N -1.69 1.71 0.75 -2.53 0.00 -0.70 -4.99 121.76 114.31 3n1u s ALA 138 Ca 0.33 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3n1u s ALA 138 Cb 0.21 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 20.03 3n1u s ALA 138 CO 0.17 -2.36 1.11 0.14 0.00 0.00 0.00 175.76 174.82 3n1u s VAL 139 N -2.77 3.11 0.25 0.00 -7.23 -0.13 -4.70 120.40 108.93 3n1u s VAL 139 Ca 0.64 0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 61.20 3n1u s VAL 139 Cb -0.20 -2.88 0.22 0.00 0.56 0.00 0.00 36.38 34.08 3n1u s VAL 139 CO 0.57 -0.41 1.75 -0.65 -0.31 0.00 0.00 175.10 176.05 3n1u h PRO 140 N -0.77 0.52 -0.72 4.82 0.11 -1.94 -1.79 132.00 132.23 3n1u h PRO 140 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3n1u h PRO 140 Cb 1.24 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3n1u h PRO 140 CO 0.51 0.35 0.26 1.96 -0.21 0.00 0.00 178.00 180.87 3n1u h GLN 141 N 0.54 1.09 -0.52 1.05 4.20 -1.97 -0.24 115.11 119.26 3n1u h GLN 141 Ca 0.42 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 3n1u h GLN 141 Cb 0.60 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3n1u h GLN 141 CO -0.37 0.91 0.13 0.28 -0.67 0.00 0.00 178.83 179.11 3n1u h VAL 142 N 1.06 1.24 -0.82 -0.54 2.07 -1.69 -1.61 116.25 115.96 3n1u h VAL 142 Ca 0.24 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3n1u h VAL 142 Cb 0.25 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3n1u h VAL 142 CO -0.01 0.32 0.48 -0.07 0.02 0.00 0.00 177.57 178.30 3n1u h LEU 143 N 0.73 1.00 -0.71 2.57 3.38 -1.11 -2.62 115.31 118.56 3n1u h LEU 143 Ca 0.16 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3n1u h LEU 143 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3n1u h LEU 143 CO 0.00 0.79 0.44 -0.08 0.09 0.00 0.00 178.44 179.69 3n1u h GLU 144 N 1.13 0.96 -0.01 1.13 4.81 -0.61 -3.31 114.58 118.69 3n1u h GLU 144 Ca 0.29 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3n1u h GLU 144 Cb -0.01 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3n1u h GLU 144 CO -0.05 0.66 -0.59 1.19 -0.73 0.00 0.00 179.01 179.49 3n1u n PHE 145 N -4.55 0.00 -1.71 0.92 3.72 -0.64 -4.97 117.46 110.22 3n1u n PHE 145 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.13 3n1u n PHE 145 Cb 0.04 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.64 3n1u n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n1u s ALA 146 N -2.36 2.42 0.28 4.37 0.00 -0.99 -4.79 121.76 120.69 3n1u s ALA 146 Ca 0.11 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.87 3n1u s ALA 146 Cb 0.14 -3.34 0.96 0.00 0.00 0.00 0.00 23.12 20.89 3n1u s ALA 146 CO 0.58 -1.36 1.87 -0.44 0.00 0.00 0.00 175.76 176.42 3n1u h ASP 147 N -0.02 0.00 -4.91 0.00 3.32 -1.04 -3.47 116.42 110.30 3n1u h ASP 147 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3n1u h ASP 147 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 3n1u h ASP 147 CO 0.53 0.27 0.24 0.86 -1.72 0.00 0.00 179.24 179.42 3n1u s TRP 148 N -3.91 -0.59 0.05 4.55 -0.00 -1.17 -5.02 118.94 112.85 3n1u s TRP 148 Ca -0.01 0.85 0.06 0.00 -0.00 0.00 0.00 56.10 57.00 3n1u s TRP 148 Cb 0.12 0.46 -0.03 0.00 -0.00 0.00 0.00 33.47 34.02 3n1u s TRP 148 CO 0.65 -0.65 -0.17 -0.98 -0.00 0.00 0.00 176.95 175.81 3n1u s ARG 149 N -1.90 1.08 0.66 5.86 1.70 -1.26 -1.20 118.95 123.89 3n1u s ARG 149 Ca -0.07 -0.90 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 3n1u s ARG 149 Cb -0.00 -1.16 -0.02 0.00 -0.57 0.00 0.00 34.95 33.20 3n1u s ARG 149 CO 0.03 0.29 1.05 0.95 -1.08 0.00 0.00 175.30 176.54 3n1u s THR 150 N -0.93 4.24 -0.01 4.99 -4.23 -0.41 -4.96 115.64 114.34 3n1u s THR 150 Ca 0.04 0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 61.07 3n1u s THR 150 Cb -0.09 -3.69 -0.26 0.00 1.34 0.00 0.00 72.50 69.80 3n1u s THR 150 CO 0.02 -0.95 1.03 -0.33 -0.54 0.00 0.00 174.62 173.85 3n1u h GLU 151 N -0.47 0.37 -7.38 3.99 4.39 -1.94 -3.30 114.58 110.23 3n1u h GLU 151 Ca -0.44 -0.45 -0.51 0.00 0.34 0.00 0.00 59.36 58.30 3n1u h GLU 151 Cb 1.21 0.14 0.07 0.00 -0.10 0.00 0.00 28.75 30.08 3n1u h GLU 151 CO 0.62 1.14 0.40 1.03 -1.16 0.00 0.00 179.01 181.04 3n1u s ARG 152 N -2.96 3.23 0.43 2.33 0.52 -1.26 -4.70 118.95 116.54 3n1u s ARG 152 Ca -0.13 0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 55.80 3n1u s ARG 152 Cb 0.03 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 3n1u s ARG 152 CO 0.82 -0.84 0.68 0.95 0.02 0.00 0.00 175.30 176.94 3n1u s THR 153 N -3.18 4.76 0.37 0.02 -4.23 -1.26 -2.67 115.64 109.46 3n1u s THR 153 Ca 0.57 -0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.63 3n1u s THR 153 Cb -0.12 -3.78 -0.11 0.00 1.34 0.00 0.00 72.50 69.83 3n1u s THR 153 CO 0.54 -0.63 1.18 0.61 -0.54 0.00 0.00 174.62 175.77 3n1u n GLY 154 N -2.07 0.26 2.70 3.99 0.00 -1.25 -1.80 105.19 107.02 3n1u n GLY 154 Ca -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3n1u n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n1u n GLY 155 N 0.95 0.35 1.86 -0.02 0.00 -0.76 -3.43 105.19 104.13 3n1u n GLY 155 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3n1u n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1u n ARG 156 N -0.42 1.32 -0.41 1.61 5.12 -0.74 -4.41 116.66 118.73 3n1u n ARG 156 Ca -0.02 -3.00 0.00 0.00 -1.93 0.00 0.00 57.85 52.90 3n1u n ARG 156 Cb 0.39 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 3n1u n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3n1u n GLY 157 N -0.28 0.78 0.24 -0.13 0.00 -1.25 -4.53 105.19 100.01 3n1u n GLY 157 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3n1u n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1u h ALA 158 N 0.00 0.65 -0.41 4.61 0.00 -1.80 -1.72 119.26 120.59 3n1u h ALA 158 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3n1u h ALA 158 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3n1u h ALA 158 CO 0.00 0.33 -0.10 0.28 0.00 0.00 0.00 179.25 179.76 3n1u h VAL 159 N 0.67 1.25 -0.77 0.00 2.07 -1.88 -2.07 116.25 115.52 3n1u h VAL 159 Ca 0.15 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3n1u h VAL 159 Cb 0.32 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3n1u h VAL 159 CO 0.00 0.38 0.40 -0.09 0.02 0.00 0.00 177.57 178.28 3n1u h ARG 160 N 0.66 1.08 -0.72 1.57 9.65 -1.75 -0.07 114.38 124.79 3n1u h ARG 160 Ca 0.12 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3n1u h ARG 160 Cb 0.55 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 3n1u h ARG 160 CO 0.03 0.81 0.35 1.49 2.80 0.00 0.00 179.97 185.45 3n1u h GLU 161 N 1.08 1.03 -0.31 0.20 4.81 -0.65 0.22 114.58 120.96 3n1u h GLU 161 Ca 0.27 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3n1u h GLU 161 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3n1u h GLU 161 CO -0.04 0.81 0.04 1.25 -0.73 0.00 0.00 179.01 180.34 3n1u h LEU 162 N 1.00 0.51 -0.52 1.64 5.85 -0.94 -1.61 115.31 121.25 3n1u h LEU 162 Ca 0.25 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.79 3n1u h LEU 162 Cb 0.12 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3n1u h LEU 162 CO -0.03 0.65 0.10 0.00 -0.34 0.00 0.00 178.44 178.82 3n1u h ASP 164 N 0.24 0.90 -0.50 0.00 3.32 -0.90 -1.29 116.42 118.19 3n1u h ASP 164 Ca 0.26 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 57.06 3n1u h ASP 164 Cb 0.36 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3n1u h ASP 164 CO -0.35 1.02 0.15 0.25 -1.72 0.00 0.00 179.24 178.59 3n1u h LEU 165 N 0.77 0.11 -0.12 1.55 5.85 -0.99 0.93 115.31 123.41 3n1u h LEU 165 Ca 0.13 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3n1u h LEU 165 Cb 0.59 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3n1u h LEU 165 CO 0.04 0.09 -0.01 0.40 -0.34 0.00 0.00 178.44 178.62 3n1u h ILE 166 N 0.31 1.26 -0.61 4.05 2.04 -1.04 -0.57 117.51 122.95 3n1u h ILE 166 Ca 0.25 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3n1u h ILE 166 Cb 0.29 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3n1u h ILE 166 CO -0.28 0.25 0.29 -0.07 0.00 0.00 0.00 178.15 178.34 3n1u h LEU 167 N -0.06 0.80 -0.58 1.44 3.38 -1.00 -2.01 115.31 117.28 3n1u h LEU 167 Ca 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3n1u h LEU 167 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3n1u h LEU 167 CO 0.01 0.71 0.21 0.78 0.09 0.00 0.00 178.44 180.24 3n1u h ASN 168 N 0.84 0.81 -0.61 -0.43 2.35 -0.71 0.04 115.58 117.87 3n1u h ASN 168 Ca 0.21 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3n1u h ASN 168 Cb 0.12 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3n1u h ASN 168 CO -0.03 0.78 0.40 0.00 -1.65 0.00 0.00 177.43 176.93 3n1u h ALA 169 N 1.07 1.77 -0.24 -0.83 0.00 -0.78 -2.56 119.26 117.69 3n1u h ALA 169 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3n1u h ALA 169 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3n1u h ALA 169 CO -0.01 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.41 3n1u n GLN 170 N -4.47 2.27 -3.90 0.00 6.02 -0.78 -4.74 117.38 111.78 3n1u n GLN 170 Ca 0.08 -1.90 -0.28 0.00 -0.01 0.00 0.00 57.00 54.89 3n1u n GLN 170 Cb 0.21 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.01 3n1u n GLN 170 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3n1u n ASN 171 N 1.16 -3.28 -0.40 1.08 5.15 -0.64 -4.90 115.26 113.43 3n1u n ASN 171 Ca 0.18 -0.84 0.04 0.00 -0.60 0.00 0.00 54.58 53.36 3n1u n ASN 171 Cb 0.54 -3.73 0.07 0.00 -0.53 0.00 0.00 39.78 36.13 3n1u n ASN 171 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3n1u n LYS 172 N -4.53 1.41 0.03 1.20 5.02 -0.09 -4.75 118.16 116.45 3n1u n LYS 172 Ca -0.08 -1.41 -0.12 0.00 -2.02 0.00 0.00 58.31 54.68 3n1u n LYS 172 Cb 0.58 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 34.34 3n1u n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n1u h ALA 173 N 1.57 0.02 -0.08 7.82 0.00 -1.90 0.02 119.26 126.71 3n1u h ALA 173 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n1u h ALA 173 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3n1u h ALA 173 CO 0.00 -0.47 0.05 0.93 0.00 0.00 0.00 179.25 179.76 3n1u h GLU 174 N 0.01 0.11 -0.64 0.00 4.39 -1.93 -1.92 114.58 114.59 3n1u h GLU 174 Ca 0.01 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.83 3n1u h GLU 174 Cb 0.01 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.52 3n1u h GLU 174 CO -0.00 0.11 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.75 3n1u h LEU 175 N 0.07 -0.56 0.27 1.33 4.07 -1.84 -0.86 115.31 117.79 3n1u h LEU 175 Ca 0.03 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 3n1u h LEU 175 Cb 0.03 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3n1u h LEU 175 CO -0.01 -0.20 -0.13 0.00 -1.08 0.00 0.00 178.44 177.02 3n1u h ALA 176 N 1.64 -0.36 -0.24 1.53 0.00 -0.80 0.58 119.26 121.61 3n1u h ALA 176 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3n1u h ALA 176 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3n1u h ALA 176 CO -0.65 -0.70 -0.37 0.97 0.00 0.00 0.00 179.25 178.50 3n1u h ILE 177 N -0.37 1.29 0.39 0.00 6.09 -1.16 0.14 117.51 123.89 3n1u h ILE 177 Ca -0.04 -1.51 -0.02 0.00 -1.37 0.00 0.00 64.86 61.92 3n1u h ILE 177 Cb 0.28 1.51 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3n1u h ILE 177 CO 0.06 0.48 -0.19 0.74 -3.07 0.00 0.00 178.15 176.17 3n1u h THR 178 N 0.45 0.63 -0.36 2.19 2.02 -1.05 -0.88 112.91 115.89 3n1u h THR 178 Ca 0.04 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3n1u h THR 178 Cb 0.85 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3n1u h THR 178 CO 0.07 0.04 0.14 1.23 0.37 0.00 0.00 175.52 177.37 3n1u h GLY 179 N -0.63 0.47 0.27 2.16 0.00 -0.72 -2.43 103.07 102.19 3n1u h GLY 179 Ca -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.27 3n1u h GLY 179 CO 0.09 0.05 -0.06 -1.82 0.00 0.00 0.00 176.54 174.80 3n1u h TYR 180 N 0.30 -0.13 0.00 5.60 3.20 -0.71 -2.93 116.97 122.31 3n1u h TYR 180 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3n1u h TYR 180 Cb 0.12 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3n1u h TYR 180 CO -0.13 -0.13 0.00 1.28 -1.64 0.00 0.00 178.16 177.54 3n1u n LEU 181 N -5.26 0.00 -1.60 2.82 4.77 -0.34 -2.40 117.00 114.99 3n1u n LEU 181 Ca 0.02 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 3n1u n LEU 181 Cb 0.22 -0.49 0.25 0.00 -2.33 0.00 0.00 43.42 41.07 3n1u n LEU 181 CO 0.17 -0.24 0.93 0.29 -1.33 0.00 0.00 177.39 177.21 3n1u n LYS 182 N -1.49 2.82 0.00 3.23 5.02 -1.09 -5.09 118.16 121.56 3n1u n LYS 182 Ca 0.04 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 3n1u n LYS 182 Cb 0.17 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3n1u n LYS 182 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92