#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn2 s ASN 2 N 0.00 -0.03 0.32 6.12 2.20 -1.26 -5.02 114.94 117.26 3dn2 s ASN 2 Ca 0.00 -0.91 0.02 0.00 -0.94 0.00 0.00 52.86 51.03 3dn2 s ASN 2 Cb 0.00 0.72 0.58 0.00 -2.00 0.00 0.00 41.25 40.55 3dn2 s ASN 2 CO 0.00 -1.41 1.92 -0.29 -2.94 0.00 0.00 177.10 174.39 3dn2 h ILE 3 N 2.00 1.06 0.01 0.54 6.09 -1.96 0.52 117.51 125.77 3dn2 h ILE 3 Ca -0.29 -0.33 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3dn2 h ILE 3 Cb 1.24 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.54 3dn2 h ILE 3 CO 0.36 0.17 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.36 3dn2 h PHE 4 N 0.96 -0.01 -0.60 2.19 0.04 -1.99 -1.08 116.94 116.45 3dn2 h PHE 4 Ca 0.37 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.08 3dn2 h PHE 4 Cb 0.21 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3dn2 h PHE 4 CO -0.00 0.23 0.14 0.93 -0.60 0.00 0.00 178.31 179.01 3dn2 h GLU 5 N -0.25 0.94 0.22 1.51 5.08 -1.86 -1.05 114.58 119.17 3dn2 h GLU 5 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3dn2 h GLU 5 Cb 0.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dn2 h GLU 5 CO 0.00 0.84 -0.11 1.98 -1.00 0.00 0.00 179.01 180.73 3dn2 h MET 6 N 0.90 -0.29 -0.10 2.33 4.05 -0.84 -1.74 114.93 119.24 3dn2 h MET 6 Ca 0.19 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.53 3dn2 h MET 6 Cb 0.33 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3dn2 h MET 6 CO 0.00 -0.12 -0.40 -0.07 0.23 0.00 0.00 176.91 176.55 3dn2 h LEU 7 N -0.39 0.23 -0.85 3.39 3.38 -1.12 -1.96 115.31 117.98 3dn2 h LEU 7 Ca -0.03 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dn2 h LEU 7 Cb 0.30 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3dn2 h LEU 7 CO 0.05 0.61 0.56 -0.09 0.09 0.00 0.00 178.44 179.66 3dn2 h ARG 8 N 0.19 1.10 -0.09 1.13 9.65 -1.03 0.18 114.38 125.50 3dn2 h ARG 8 Ca 0.02 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3dn2 h ARG 8 Cb 0.79 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3dn2 h ARG 8 CO 0.06 0.72 0.04 0.82 2.80 0.00 0.00 179.97 184.41 3dn2 h ILE 9 N 1.13 1.15 -0.09 1.20 2.04 -0.89 -1.20 117.51 120.85 3dn2 h ILE 9 Ca 0.32 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 3dn2 h ILE 9 Cb -0.09 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3dn2 h ILE 9 CO -0.08 0.13 -0.57 0.44 0.00 0.00 0.00 178.15 178.06 3dn2 h ASP 10 N -0.01 0.32 0.01 1.72 3.32 -1.02 -3.32 116.42 117.44 3dn2 h ASP 10 Ca 0.03 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 3dn2 h ASP 10 Cb 0.17 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3dn2 h ASP 10 CO -0.00 0.82 -2.13 -0.62 -1.72 0.00 0.00 179.24 175.59 3dn2 n GLU 11 N -3.90 0.67 -0.10 3.56 -0.58 0.62 -5.08 120.64 115.82 3dn2 n GLU 11 Ca -0.02 -0.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.60 3dn2 n GLU 11 Cb 0.60 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.94 3dn2 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn2 n GLY 12 N 1.44 -1.86 2.67 0.62 0.00 -0.45 -4.36 105.19 103.24 3dn2 n GLY 12 Ca -0.14 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 3dn2 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dn2 s LEU 13 N 0.00 0.16 -0.03 0.99 2.96 -1.26 -4.27 118.68 117.23 3dn2 s LEU 13 Ca 0.00 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3dn2 s LEU 13 Cb 0.00 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.56 3dn2 s LEU 13 CO 0.00 -0.25 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.62 3dn2 s ARG 14 N 2.16 0.62 0.00 1.98 0.52 -0.81 -5.01 118.95 118.41 3dn2 s ARG 14 Ca 0.05 -0.08 0.25 0.00 -0.52 0.00 0.00 55.73 55.43 3dn2 s ARG 14 Cb -0.12 -0.67 0.47 0.00 0.52 0.00 0.00 34.95 35.15 3dn2 s ARG 14 CO -0.03 -0.06 1.40 1.28 0.02 0.00 0.00 175.30 177.91 3dn2 n LEU 15 N 3.86 1.85 -4.41 2.53 4.77 -1.26 0.06 117.00 124.40 3dn2 n LEU 15 Ca -0.24 -0.62 -0.29 0.00 -0.03 0.00 0.00 56.01 54.83 3dn2 n LEU 15 Cb 0.52 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 3dn2 n LEU 15 CO 0.24 0.33 -0.56 -0.54 -1.33 0.00 0.00 177.39 175.53 3dn2 s LYS 16 N -2.28 1.46 0.08 3.23 1.02 -1.26 -0.77 119.74 121.23 3dn2 s LYS 16 Ca 0.26 -1.34 -0.35 0.00 0.02 0.00 0.00 55.97 54.56 3dn2 s LYS 16 Cb 0.19 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 35.43 3dn2 s LYS 16 CO 0.45 0.45 1.54 -0.89 -0.92 0.00 0.00 175.35 175.98 3dn2 n ILE 17 N 0.84 0.08 -4.27 2.17 5.41 -0.60 -4.72 119.36 118.27 3dn2 n ILE 17 Ca -0.17 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 3dn2 n ILE 17 Cb 0.53 -1.32 -0.10 0.00 -0.71 0.00 0.00 39.64 38.04 3dn2 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dn2 s TYR 18 N 1.25 1.38 -0.17 1.39 1.13 0.06 -4.96 117.35 117.43 3dn2 s TYR 18 Ca 0.83 -1.23 -0.10 0.00 -1.41 0.00 0.00 57.07 55.17 3dn2 s TYR 18 Cb -0.79 -0.77 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 3dn2 s TYR 18 CO 0.44 -0.42 0.16 0.15 -2.51 0.00 0.00 175.55 173.37 3dn2 s LYS 19 N -4.06 4.03 0.05 -3.49 1.02 -1.26 0.38 119.74 116.41 3dn2 s LYS 19 Ca 0.36 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 3dn2 s LYS 19 Cb 0.07 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3dn2 s LYS 19 CO 0.12 0.41 0.06 -0.40 -0.92 0.00 0.00 175.35 174.61 3dn2 n ASP 20 N 3.14 -0.62 0.28 2.83 5.68 0.68 -4.79 116.55 123.75 3dn2 n ASP 20 Ca -0.16 -0.73 0.15 0.00 -0.50 0.00 0.00 54.79 53.54 3dn2 n ASP 20 Cb 0.53 -0.05 0.81 0.00 -1.14 0.00 0.00 41.12 41.27 3dn2 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dn2 h THR 21 N -1.34 0.46 -0.04 2.12 1.35 -1.99 -1.55 112.91 111.92 3dn2 h THR 21 Ca -0.02 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3dn2 h THR 21 Cb 0.06 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3dn2 h THR 21 CO 0.01 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 174.74 3dn2 n GLU 22 N -3.59 1.97 -0.51 4.72 -0.58 -1.26 -4.94 120.64 116.45 3dn2 n GLU 22 Ca -0.02 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 3dn2 n GLU 22 Cb 0.20 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3dn2 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn2 n GLY 23 N 1.25 0.71 3.85 0.62 0.00 -0.58 -5.06 105.19 105.99 3dn2 n GLY 23 Ca 0.17 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3dn2 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn2 s TYR 24 N -2.00 3.60 0.21 1.61 2.02 -1.26 -4.71 117.35 116.82 3dn2 s TYR 24 Ca 0.00 0.59 -0.32 0.00 -0.37 0.00 0.00 57.07 56.97 3dn2 s TYR 24 Cb 0.00 -2.03 -0.12 0.00 -0.40 0.00 0.00 41.96 39.41 3dn2 s TYR 24 CO 0.00 0.67 1.70 0.66 -1.57 0.00 0.00 175.55 177.01 3dn2 n TYR 25 N 2.14 2.72 -3.86 2.71 4.01 -1.22 -0.23 117.16 123.42 3dn2 n TYR 25 Ca -0.18 0.07 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 3dn2 n TYR 25 Cb 0.54 -2.66 -0.07 0.00 -0.31 0.00 0.00 39.34 36.84 3dn2 n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dn2 s THR 26 N 1.09 0.14 0.13 -0.72 2.01 0.16 -1.20 115.64 117.25 3dn2 s THR 26 Ca 0.75 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 3dn2 s THR 26 Cb -0.52 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3dn2 s THR 26 CO 0.34 -0.64 0.30 -0.51 -0.69 0.00 0.00 174.62 173.42 3dn2 s ILE 27 N -3.86 0.09 0.00 1.82 2.07 -0.55 -0.76 121.20 120.01 3dn2 s ILE 27 Ca 0.05 -1.08 0.00 0.00 -1.41 0.00 0.00 60.65 58.21 3dn2 s ILE 27 Cb 0.05 -1.50 0.00 0.00 0.13 0.00 0.00 42.46 41.14 3dn2 s ILE 27 CO -0.11 -0.40 0.00 0.61 -1.91 0.00 0.00 174.94 173.13 3dn2 n GLY 28 N -0.18 2.39 3.10 1.50 0.00 0.11 -1.04 105.19 111.07 3dn2 n GLY 28 Ca -0.12 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3dn2 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dn2 n ILE 29 N 0.00 4.68 -2.84 -0.61 5.41 -1.26 -1.92 119.36 122.81 3dn2 n ILE 29 Ca 0.00 -5.63 -0.21 0.00 1.00 0.00 0.00 62.75 57.91 3dn2 n ILE 29 Cb 0.00 -2.29 0.02 0.00 -0.71 0.00 0.00 39.64 36.67 3dn2 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dn2 n GLY 30 N 1.85 -0.45 3.52 7.39 0.00 -1.24 -4.89 105.19 111.37 3dn2 n GLY 30 Ca 0.25 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3dn2 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dn2 s HIS 31 N -3.11 2.47 0.11 1.61 5.04 -0.21 -4.92 115.29 116.28 3dn2 s HIS 31 Ca 0.22 -0.19 -0.31 0.00 -1.54 0.00 0.00 55.06 53.25 3dn2 s HIS 31 Cb -0.10 -4.47 -0.10 0.00 0.04 0.00 0.00 32.58 27.96 3dn2 s HIS 31 CO 0.28 -1.85 1.71 -1.17 -2.34 0.00 0.00 174.74 171.37 3dn2 s LEU 32 N 4.99 4.38 -0.17 8.88 2.96 -1.26 -1.48 118.68 136.98 3dn2 s LEU 32 Ca 0.31 2.63 -0.13 0.00 -0.22 0.00 0.00 54.13 56.71 3dn2 s LEU 32 Cb -0.11 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 3dn2 s LEU 32 CO 0.14 -0.92 0.26 0.18 -1.32 0.00 0.00 176.35 174.69 3dn2 n LEU 33 N 5.26 2.28 -3.59 -0.68 4.77 -0.34 -4.96 117.00 119.73 3dn2 n LEU 33 Ca 0.16 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3dn2 n LEU 33 Cb 0.39 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3dn2 n LEU 33 CO 0.64 0.59 0.93 0.28 -1.33 0.00 0.00 177.39 178.50 3dn2 s THR 34 N -2.47 0.00 -1.91 -5.08 -1.32 -1.20 -4.88 115.64 98.78 3dn2 s THR 34 Ca -0.26 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.48 3dn2 s THR 34 Cb 0.07 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.34 3dn2 s THR 34 CO 0.68 0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.92 3dn2 n LYS 35 N 0.41 1.02 -2.09 7.08 5.02 -1.26 -3.43 118.16 124.90 3dn2 n LYS 35 Ca -0.05 -0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 55.20 3dn2 n LYS 35 Cb 0.59 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3dn2 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dn2 s SER 36 N -2.42 6.74 0.00 4.39 0.15 -1.26 -4.92 113.70 116.38 3dn2 s SER 36 Ca 0.26 2.68 0.27 0.00 0.70 0.00 0.00 55.95 59.85 3dn2 s SER 36 Cb 0.19 -2.64 1.56 0.00 -1.71 0.00 0.00 66.02 63.42 3dn2 s SER 36 CO 0.50 -0.58 1.94 -0.81 1.20 0.00 0.00 173.24 175.49 3dn2 n PRO 37 N 1.22 0.77 -2.90 5.44 -0.04 -1.26 -4.71 135.00 133.52 3dn2 n PRO 37 Ca 0.02 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 3dn2 n PRO 37 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3dn2 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dn2 s SER 38 N -2.09 6.72 0.31 3.54 0.15 -1.26 -4.94 113.70 116.13 3dn2 s SER 38 Ca 0.38 0.76 -0.00 0.00 0.70 0.00 0.00 55.95 57.79 3dn2 s SER 38 Cb 0.18 -2.43 0.49 0.00 -1.71 0.00 0.00 66.02 62.56 3dn2 s SER 38 CO 0.32 -0.63 1.94 0.25 1.20 0.00 0.00 173.24 176.32 3dn2 h LEU 39 N 9.49 0.83 -1.02 3.45 5.85 -2.00 -2.08 115.31 129.82 3dn2 h LEU 39 Ca -0.24 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3dn2 h LEU 39 Cb 1.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3dn2 h LEU 39 CO 0.90 0.66 0.33 0.78 -0.34 0.00 0.00 178.44 180.77 3dn2 h ASN 40 N 0.94 0.93 -0.63 1.25 2.35 -1.98 0.46 115.58 118.91 3dn2 h ASN 40 Ca 0.24 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3dn2 h ASN 40 Cb 0.00 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3dn2 h ASN 40 CO -0.04 0.80 0.28 0.00 -1.65 0.00 0.00 177.43 176.82 3dn2 h ALA 41 N 1.34 0.81 -0.53 -0.83 0.00 -1.84 -1.50 119.26 116.72 3dn2 h ALA 41 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dn2 h ALA 41 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dn2 h ALA 41 CO -0.03 0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.86 3dn2 h ALA 42 N 1.12 0.69 -0.76 0.00 0.00 -0.87 -1.83 119.26 117.61 3dn2 h ALA 42 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dn2 h ALA 42 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dn2 h ALA 42 CO -0.02 0.27 0.35 -0.22 0.00 0.00 0.00 179.25 179.62 3dn2 h LYS 43 N 0.72 1.10 -0.36 0.00 3.64 -0.72 -0.66 116.57 120.29 3dn2 h LYS 43 Ca 0.18 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3dn2 h LYS 43 Cb 0.15 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3dn2 h LYS 43 CO -0.02 0.86 0.13 0.77 -2.27 0.00 0.00 179.45 178.92 3dn2 h SER 44 N 1.09 0.50 -0.91 4.20 0.02 -1.07 -1.03 113.55 116.36 3dn2 h SER 44 Ca 0.26 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3dn2 h SER 44 Cb 0.14 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3dn2 h SER 44 CO -0.03 0.55 0.60 -0.33 -1.14 0.00 0.00 176.83 176.47 3dn2 h GLU 45 N 0.43 1.14 0.27 3.45 4.39 -0.94 -1.12 114.58 122.20 3dn2 h GLU 45 Ca 0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3dn2 h GLU 45 Cb 0.21 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3dn2 h GLU 45 CO -0.01 0.76 -0.13 1.25 -1.16 0.00 0.00 179.01 179.72 3dn2 h LEU 46 N 1.18 -0.31 -0.69 1.33 5.85 -0.86 -0.78 115.31 121.03 3dn2 h LEU 46 Ca 0.35 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.16 3dn2 h LEU 46 Cb -0.04 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 3dn2 h LEU 46 CO -0.10 -0.18 0.30 0.44 -0.34 0.00 0.00 178.44 178.55 3dn2 h ASP 47 N -0.40 0.33 -0.78 1.25 3.32 -0.94 -0.29 116.42 118.90 3dn2 h ASP 47 Ca -0.04 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3dn2 h ASP 47 Cb 0.31 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3dn2 h ASP 47 CO 0.06 0.17 0.31 0.50 -1.72 0.00 0.00 179.24 178.56 3dn2 h LYS 48 N 0.49 1.17 -0.41 3.56 3.64 -1.05 0.22 116.57 124.19 3dn2 h LYS 48 Ca 0.36 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3dn2 h LYS 48 Cb 0.46 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3dn2 h LYS 48 CO -0.32 0.95 -0.29 0.00 -2.27 0.00 0.00 179.45 177.52 3dn2 h ALA 49 N 1.16 0.59 0.01 5.00 0.00 -0.20 -3.30 119.26 122.52 3dn2 h ALA 49 Ca 0.26 -0.42 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 3dn2 h ALA 49 Cb 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3dn2 h ALA 49 CO -0.02 0.62 -1.42 0.82 0.00 0.00 0.00 179.25 179.25 3dn2 h ILE 50 N 0.74 1.20 0.00 0.00 1.08 -0.99 -3.49 117.51 116.06 3dn2 h ILE 50 Ca 0.08 -2.99 0.00 0.00 -0.39 0.00 0.00 64.86 61.56 3dn2 h ILE 50 Cb 0.87 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 3dn2 h ILE 50 CO 0.08 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 3dn2 n GLY 51 N 1.49 0.74 3.54 5.37 0.00 0.75 -5.07 105.19 112.02 3dn2 n GLY 51 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 3dn2 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dn2 s ARG 52 N -2.63 1.41 -0.72 1.61 1.70 -1.10 -5.05 118.95 114.17 3dn2 s ARG 52 Ca 0.00 -0.67 -0.27 0.00 -0.47 0.00 0.00 55.73 54.32 3dn2 s ARG 52 Cb 0.00 0.58 0.03 0.00 -0.57 0.00 0.00 34.95 34.99 3dn2 s ARG 52 CO 0.00 -0.62 1.25 1.21 -1.08 0.00 0.00 175.30 176.05 3dn2 s ASN 53 N -2.81 6.19 -0.13 -2.89 3.84 -1.26 -4.37 114.94 113.51 3dn2 s ASN 53 Ca 0.05 -0.42 0.13 0.00 0.21 0.00 0.00 52.86 52.82 3dn2 s ASN 53 Cb -0.02 -2.55 -0.24 0.00 -0.55 0.00 0.00 41.25 37.89 3dn2 s ASN 53 CO -0.06 -1.77 0.33 0.35 -2.79 0.00 0.00 177.10 173.16 3dn2 n THR 54 N 6.38 1.52 -4.11 -5.21 -2.24 -1.26 -5.01 114.28 104.35 3dn2 n THR 54 Ca 0.03 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 3dn2 n THR 54 Cb 0.49 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 3dn2 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dn2 n ASN 55 N -2.97 -0.36 0.00 3.42 5.15 -1.26 -3.65 115.26 115.59 3dn2 n ASN 55 Ca -0.27 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 3dn2 n ASN 55 Cb 1.09 -2.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 3dn2 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dn2 n GLY 56 N -2.24 0.95 3.09 8.20 0.00 -1.26 -5.03 105.19 108.90 3dn2 n GLY 56 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3dn2 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dn2 s VAL 57 N -2.99 1.21 0.30 1.61 1.01 -1.24 -1.55 120.40 118.74 3dn2 s VAL 57 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3dn2 s VAL 57 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3dn2 s VAL 57 CO 0.00 0.35 -0.00 0.27 0.00 0.00 0.00 175.10 175.72 3dn2 s ILE 58 N 0.03 1.41 0.59 2.22 -4.36 0.05 -4.86 121.20 116.28 3dn2 s ILE 58 Ca -0.02 -2.06 -0.05 0.00 -0.26 0.00 0.00 60.65 58.26 3dn2 s ILE 58 Cb -0.10 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.04 3dn2 s ILE 58 CO 0.01 -0.18 0.88 0.42 0.24 0.00 0.00 174.94 176.32 3dn2 s THR 59 N -3.16 3.36 0.23 8.37 -4.23 -1.26 -4.78 115.64 114.16 3dn2 s THR 59 Ca 0.32 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3dn2 s THR 59 Cb 0.06 -3.33 0.21 0.00 1.34 0.00 0.00 72.50 70.77 3dn2 s THR 59 CO 0.13 -0.32 1.88 0.50 -0.54 0.00 0.00 174.62 176.27 3dn2 h LYS 60 N -0.16 1.19 -0.51 3.99 3.64 -1.99 -0.80 116.57 121.94 3dn2 h LYS 60 Ca -0.45 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3dn2 h LYS 60 Cb 1.27 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3dn2 h LYS 60 CO 0.59 0.82 0.31 -0.44 -2.27 0.00 0.00 179.45 178.46 3dn2 h ASP 61 N 1.21 0.50 -0.46 4.20 5.19 -1.99 -0.20 116.42 124.88 3dn2 h ASP 61 Ca 0.32 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3dn2 h ASP 61 Cb -0.08 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 3dn2 h ASP 61 CO -0.06 0.36 0.15 -0.33 -3.12 0.00 0.00 179.24 176.23 3dn2 h GLU 62 N 0.61 0.72 -0.45 3.56 5.08 -1.86 -0.83 114.58 121.41 3dn2 h GLU 62 Ca 0.20 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3dn2 h GLU 62 Cb 0.01 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3dn2 h GLU 62 CO -0.08 0.68 0.19 0.00 -1.00 0.00 0.00 179.01 178.80 3dn2 h ALA 63 N 1.00 0.56 -0.22 3.43 0.00 -0.81 -1.94 119.26 121.29 3dn2 h ALA 63 Ca 0.15 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3dn2 h ALA 63 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dn2 h ALA 63 CO -0.01 -0.19 -0.18 0.93 0.00 0.00 0.00 179.25 179.81 3dn2 h GLU 64 N 0.38 0.37 0.09 0.00 5.08 -0.79 -1.02 114.58 118.70 3dn2 h GLU 64 Ca 0.21 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dn2 h GLU 64 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dn2 h GLU 64 CO -0.18 0.55 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.12 3dn2 h LYS 65 N 0.34 -0.11 -0.98 2.33 3.64 -0.64 -0.81 116.57 120.34 3dn2 h LYS 65 Ca 0.06 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3dn2 h LYS 65 Cb 0.52 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3dn2 h LYS 65 CO 0.03 0.04 0.64 -0.07 -2.27 0.00 0.00 179.45 177.83 3dn2 h LEU 66 N -0.25 1.08 -0.06 5.20 3.38 -1.22 -2.26 115.31 121.18 3dn2 h LEU 66 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dn2 h LEU 66 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dn2 h LEU 66 CO 0.02 0.74 0.04 0.15 0.09 0.00 0.00 178.44 179.48 3dn2 h PHE 67 N 1.25 0.07 -0.54 1.13 3.57 -0.93 0.48 116.94 121.97 3dn2 h PHE 67 Ca 0.39 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.94 3dn2 h PHE 67 Cb -0.01 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3dn2 h PHE 67 CO -0.00 0.07 0.26 -0.91 -2.23 0.00 0.00 178.31 175.49 3dn2 h ASN 68 N 0.06 0.35 -0.63 0.41 2.35 -0.99 0.04 115.58 117.17 3dn2 h ASN 68 Ca 0.02 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3dn2 h ASN 68 Cb 0.01 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3dn2 h ASN 68 CO -0.00 0.24 0.39 1.56 -1.65 0.00 0.00 177.43 177.97 3dn2 h GLN 69 N 0.49 0.85 -0.61 0.81 4.20 -1.12 -1.23 115.11 118.50 3dn2 h GLN 69 Ca 0.24 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 3dn2 h GLN 69 Cb 0.18 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3dn2 h GLN 69 CO -0.19 0.59 0.06 -0.44 -0.67 0.00 0.00 178.83 178.18 3dn2 h ASP 70 N 0.86 1.01 -0.25 1.46 3.32 -0.38 0.14 116.42 122.58 3dn2 h ASP 70 Ca 0.23 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3dn2 h ASP 70 Cb -0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3dn2 h ASP 70 CO -0.05 1.03 0.10 0.58 -1.72 0.00 0.00 179.24 179.18 3dn2 h VAL 71 N 0.94 1.18 -0.29 -1.35 2.07 -0.84 -1.19 116.25 116.77 3dn2 h VAL 71 Ca 0.18 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3dn2 h VAL 71 Cb 0.48 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3dn2 h VAL 71 CO 0.02 0.18 0.08 0.44 0.02 0.00 0.00 177.57 178.31 3dn2 h ASP 72 N 0.25 0.07 -0.71 0.57 5.19 -1.02 -1.96 116.42 118.81 3dn2 h ASP 72 Ca 0.08 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 3dn2 h ASP 72 Cb 0.19 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 3dn2 h ASP 72 CO -0.01 0.07 0.47 0.00 -3.12 0.00 0.00 179.24 176.66 3dn2 h ALA 73 N 1.20 1.55 -0.23 3.45 0.00 -0.55 -0.33 119.26 124.35 3dn2 h ALA 73 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dn2 h ALA 73 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dn2 h ALA 73 CO -0.15 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.48 3dn2 h ALA 74 N 1.57 0.31 0.14 0.00 0.00 -0.70 -0.47 119.26 120.12 3dn2 h ALA 74 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dn2 h ALA 74 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dn2 h ALA 74 CO -0.07 0.06 -0.07 0.28 0.00 0.00 0.00 179.25 179.45 3dn2 h VAL 75 N 0.18 0.90 -0.82 0.00 2.07 -1.06 -1.83 116.25 115.69 3dn2 h VAL 75 Ca 0.06 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.54 3dn2 h VAL 75 Cb 0.43 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3dn2 h VAL 75 CO 0.01 0.04 0.44 0.03 0.02 0.00 0.00 177.57 178.12 3dn2 h ARG 76 N -0.26 0.68 -0.50 1.57 -0.00 -1.04 -1.60 114.38 113.23 3dn2 h ARG 76 Ca -0.02 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 3dn2 h ARG 76 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 3dn2 h ARG 76 CO 0.03 0.45 0.23 0.78 0.00 0.00 0.00 179.97 181.46 3dn2 h GLY 77 N 0.70 0.77 0.72 0.04 0.00 -0.90 -2.16 103.07 102.24 3dn2 h GLY 77 Ca 0.42 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.40 3dn2 h GLY 77 CO -0.30 0.37 0.06 -2.22 0.00 0.00 0.00 176.54 174.45 3dn2 h ILE 78 N 0.66 0.89 0.00 2.60 2.04 -0.72 -2.28 117.51 120.70 3dn2 h ILE 78 Ca 0.17 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3dn2 h ILE 78 Cb 0.13 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3dn2 h ILE 78 CO -0.02 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 177.98 3dn2 h LEU 79 N 0.16 0.00 -0.14 1.44 3.38 -1.12 -2.15 115.31 116.88 3dn2 h LEU 79 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dn2 h LEU 79 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dn2 h LEU 79 CO -0.15 0.10 -0.54 0.54 0.09 0.00 0.00 178.44 178.49 3dn2 n ARG 80 N -3.33 0.21 -3.37 1.13 1.74 -0.83 -4.82 116.66 107.39 3dn2 n ARG 80 Ca -0.01 -0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.55 3dn2 n ARG 80 Cb 0.30 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 3dn2 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dn2 s ASN 81 N -2.88 6.41 0.42 0.55 3.84 -0.82 -4.98 114.94 117.48 3dn2 s ASN 81 Ca 0.13 0.48 0.13 0.00 0.21 0.00 0.00 52.86 53.82 3dn2 s ASN 81 Cb 0.18 -2.24 0.89 0.00 -0.55 0.00 0.00 41.25 39.53 3dn2 s ASN 81 CO 0.69 -0.12 1.93 0.00 -2.79 0.00 0.00 177.10 176.81 3dn2 h ALA 82 N 7.58 1.58 0.00 1.71 0.00 -1.89 -1.00 119.26 127.24 3dn2 h ALA 82 Ca -0.34 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 3dn2 h ALA 82 Cb 1.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3dn2 h ALA 82 CO 0.70 0.31 -0.78 0.87 0.00 0.00 0.00 179.25 180.36 3dn2 h LYS 83 N 0.02 0.00 0.02 0.00 1.57 -1.93 -3.39 116.57 112.86 3dn2 h LYS 83 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3dn2 h LYS 83 Cb 0.43 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 3dn2 h LYS 83 CO 0.03 0.59 -2.37 1.28 -0.57 0.00 0.00 179.45 178.41 3dn2 n LEU 84 N -3.21 2.47 -0.11 2.94 4.77 -1.03 -4.50 117.00 118.33 3dn2 n LEU 84 Ca -0.01 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 3dn2 n LEU 84 Cb 0.81 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3dn2 n LEU 84 CO 0.43 0.85 0.83 0.50 -1.33 0.00 0.00 177.39 178.67 3dn2 h LYS 85 N 0.01 0.06 -0.78 3.23 3.64 -1.07 -0.80 116.57 120.88 3dn2 h LYS 85 Ca -0.54 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.86 3dn2 h LYS 85 Cb 1.97 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.73 3dn2 h LYS 85 CO -0.04 0.04 0.50 -1.35 -2.27 0.00 0.00 179.45 176.33 3dn2 h PRO 86 N 0.07 0.96 -0.22 1.90 0.11 -1.80 0.13 132.00 133.13 3dn2 h PRO 86 Ca 0.19 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3dn2 h PRO 86 Cb 0.27 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3dn2 h PRO 86 CO -0.34 0.63 -0.01 0.28 -0.21 0.00 0.00 178.00 178.35 3dn2 h VAL 87 N 0.99 1.26 -0.32 3.15 2.07 -1.68 -1.86 116.25 119.86 3dn2 h VAL 87 Ca 0.30 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3dn2 h VAL 87 Cb -0.02 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3dn2 h VAL 87 CO -0.10 0.29 0.09 0.22 0.02 0.00 0.00 177.57 178.08 3dn2 h TYR 88 N 0.16 0.15 -0.25 1.57 3.20 -0.88 -1.97 116.97 118.96 3dn2 h TYR 88 Ca 0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3dn2 h TYR 88 Cb 0.43 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3dn2 h TYR 88 CO 0.04 0.05 0.17 -0.44 -1.64 0.00 0.00 178.16 176.34 3dn2 h ASP 89 N 0.21 0.15 1.35 -2.11 3.32 -0.60 -2.11 116.42 116.62 3dn2 h ASP 89 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dn2 h ASP 89 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3dn2 h ASP 89 CO -0.17 0.10 0.00 0.77 -1.72 0.00 0.00 179.24 178.22 3dn2 h SER 90 N 0.17 0.00 -3.52 6.45 4.64 -0.55 -3.46 113.55 117.28 3dn2 h SER 90 Ca 0.11 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.93 3dn2 h SER 90 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dn2 h SER 90 CO -0.02 0.00 0.03 -0.76 -0.87 0.00 0.00 176.83 175.22 3dn2 s LEU 91 N -5.08 3.88 0.87 5.97 1.43 -0.80 -5.06 118.68 119.90 3dn2 s LEU 91 Ca 0.07 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 3dn2 s LEU 91 Cb 0.10 -3.84 0.12 0.00 0.03 0.00 0.00 46.19 42.59 3dn2 s LEU 91 CO 0.56 -0.36 1.11 1.51 0.23 0.00 0.00 176.35 179.40 3dn2 s ASP 92 N -3.28 3.79 0.35 2.29 -4.77 -1.26 -4.82 116.67 108.97 3dn2 s ASP 92 Ca 0.48 1.17 0.04 0.00 -3.30 0.00 0.00 52.55 50.94 3dn2 s ASP 92 Cb -0.10 -1.83 0.64 0.00 -1.09 0.00 0.00 42.92 40.54 3dn2 s ASP 92 CO 0.32 -2.40 1.94 0.00 0.70 0.00 0.00 175.17 175.74 3dn2 h ALA 93 N -1.39 1.47 -0.08 2.11 0.00 -1.98 -0.24 119.26 119.15 3dn2 h ALA 93 Ca -0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3dn2 h ALA 93 Cb 1.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dn2 h ALA 93 CO 0.60 0.41 0.01 0.28 0.00 0.00 0.00 179.25 180.54 3dn2 h VAL 94 N 0.64 1.23 -0.07 0.00 2.07 -1.94 -2.58 116.25 115.60 3dn2 h VAL 94 Ca 0.16 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 3dn2 h VAL 94 Cb 0.13 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3dn2 h VAL 94 CO -0.02 0.20 -0.41 0.03 0.02 0.00 0.00 177.57 177.39 3dn2 h ARG 95 N -0.12 0.15 -0.92 1.57 3.08 -1.77 -2.22 114.38 114.15 3dn2 h ARG 95 Ca 0.02 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.09 3dn2 h ARG 95 Cb 0.31 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 3dn2 h ARG 95 CO 0.00 0.54 0.57 0.00 -1.07 0.00 0.00 179.97 180.01 3dn2 h ARG 96 N 0.13 0.94 -0.71 0.04 3.08 -0.97 -1.41 114.38 115.48 3dn2 h ARG 96 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dn2 h ARG 96 Cb 0.79 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3dn2 h ARG 96 CO 0.06 0.62 0.42 0.00 -1.07 0.00 0.00 179.97 180.01 3dn2 h ALA 97 N 1.47 0.90 -0.91 0.04 0.00 -0.99 -0.51 119.26 119.25 3dn2 h ALA 97 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3dn2 h ALA 97 Cb 0.31 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3dn2 h ALA 97 CO -0.22 0.38 0.59 0.00 0.00 0.00 0.00 179.25 180.00 3dn2 h ALA 98 N 1.22 1.21 -0.12 0.00 0.00 -1.20 0.23 119.26 120.60 3dn2 h ALA 98 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dn2 h ALA 98 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3dn2 h ALA 98 CO -0.05 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.74 3dn2 h ALA 99 N 1.37 0.15 -0.78 0.00 0.00 -0.72 -2.31 119.26 116.97 3dn2 h ALA 99 Ca 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dn2 h ALA 99 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dn2 h ALA 99 CO -0.12 -0.36 0.47 0.82 0.00 0.00 0.00 179.25 180.06 3dn2 h ILE 100 N 0.15 1.22 -0.22 0.00 2.04 -0.73 -2.19 117.51 117.78 3dn2 h ILE 100 Ca 0.04 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3dn2 h ILE 100 Cb -0.01 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.14 3dn2 h ILE 100 CO -0.01 0.22 -0.15 -1.13 0.00 0.00 0.00 178.15 177.09 3dn2 h ASN 101 N 1.06 -0.48 -0.20 1.72 -0.73 -0.75 0.14 115.58 116.34 3dn2 h ASN 101 Ca 0.28 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.57 3dn2 h ASN 101 Cb -0.05 0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 3dn2 h ASN 101 CO -0.05 -0.19 0.07 0.24 -0.37 0.00 0.00 177.43 177.13 3dn2 h MET 102 N -0.14 0.16 -0.75 6.67 2.86 -1.17 -1.73 114.93 120.83 3dn2 h MET 102 Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3dn2 h MET 102 Cb 0.33 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3dn2 h MET 102 CO -0.30 0.11 0.43 0.28 1.06 0.00 0.00 176.91 178.48 3dn2 h VAL 103 N 0.17 1.22 -0.58 -2.22 2.07 -1.06 -1.05 116.25 114.80 3dn2 h VAL 103 Ca 0.08 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3dn2 h VAL 103 Cb 0.05 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 3dn2 h VAL 103 CO -0.08 0.24 0.21 0.15 0.02 0.00 0.00 177.57 178.11 3dn2 h PHE 104 N 1.04 0.36 -0.05 1.57 3.04 -0.47 0.22 116.94 122.65 3dn2 h PHE 104 Ca 0.27 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 62.07 3dn2 h PHE 104 Cb 0.01 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.46 3dn2 h PHE 104 CO -0.00 0.09 -0.66 0.37 -2.02 0.00 0.00 178.31 176.09 3dn2 h GLN 105 N 0.39 0.53 -0.00 1.11 4.15 -0.88 -3.39 115.11 117.02 3dn2 h GLN 105 Ca 0.29 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3dn2 h GLN 105 Cb 0.35 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3dn2 h GLN 105 CO -0.30 1.14 -0.08 0.00 -1.93 0.00 0.00 178.83 177.66 3dn2 n MET 106 N -4.13 5.92 -0.62 1.69 0.00 -0.44 -5.11 117.12 114.43 3dn2 n MET 106 Ca -0.09 -0.04 0.08 0.00 0.00 0.00 0.00 57.70 57.64 3dn2 n MET 106 Cb 0.69 -0.62 -0.03 0.00 0.00 0.00 0.00 33.22 33.27 3dn2 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dn2 n GLY 107 N 0.98 -1.97 0.25 3.17 0.00 0.76 -2.39 105.19 105.99 3dn2 n GLY 107 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.68 3dn2 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dn2 h GLU 108 N -0.59 0.35 -0.25 1.61 5.08 -1.94 -2.48 114.58 116.37 3dn2 h GLU 108 Ca -0.02 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3dn2 h GLU 108 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3dn2 h GLU 108 CO 0.01 0.48 -0.22 1.79 -1.00 0.00 0.00 179.01 180.07 3dn2 h THR 109 N 0.33 1.25 0.00 1.13 1.35 -1.99 -2.04 112.91 112.95 3dn2 h THR 109 Ca 0.07 -1.18 -0.08 0.00 -0.55 0.00 0.00 66.41 64.66 3dn2 h THR 109 Cb 0.41 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3dn2 h THR 109 CO 0.02 0.38 -0.38 1.23 -0.25 0.00 0.00 175.52 176.52 3dn2 h GLY 110 N 0.99 0.00 -1.18 5.82 0.00 -1.10 -3.23 103.07 104.37 3dn2 h GLY 110 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3dn2 h GLY 110 CO 0.04 0.00 -0.32 3.33 0.00 0.00 0.00 176.54 179.59 3dn2 n VAL 111 N -3.48 0.00 -0.25 4.60 0.24 -0.97 -4.41 118.33 114.06 3dn2 n VAL 111 Ca 0.00 -0.32 0.19 0.00 -2.04 0.00 0.00 64.34 62.17 3dn2 n VAL 111 Cb 0.53 1.26 0.50 0.00 -1.47 0.00 0.00 33.84 34.66 3dn2 n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dn2 h ALA 112 N 4.12 2.17 -0.00 2.33 0.00 -1.39 -1.01 119.26 125.47 3dn2 h ALA 112 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dn2 h ALA 112 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dn2 h ALA 112 CO 0.00 -0.46 -0.00 0.41 0.00 0.00 0.00 179.25 179.20 3dn2 n GLY 113 N -1.50 -0.96 1.48 0.00 0.00 -1.26 -3.98 105.19 98.96 3dn2 n GLY 113 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 3dn2 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dn2 n PHE 114 N -0.95 1.46 -0.20 1.61 3.01 -0.38 -4.59 117.46 117.42 3dn2 n PHE 114 Ca 0.24 -0.75 0.00 0.00 1.01 0.00 0.00 57.45 57.95 3dn2 n PHE 114 Cb 0.13 -0.46 0.09 0.00 -0.01 0.00 0.00 39.48 39.22 3dn2 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dn2 h THR 115 N 1.74 0.49 -0.39 4.37 2.02 -1.79 0.18 112.91 119.53 3dn2 h THR 115 Ca 0.14 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 67.13 3dn2 h THR 115 Cb 1.65 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3dn2 h THR 115 CO 0.43 0.02 -0.36 0.78 0.37 0.00 0.00 175.52 176.75 3dn2 h ASN 116 N 0.09 0.98 -0.42 4.18 2.35 -1.95 -1.93 115.58 118.88 3dn2 h ASN 116 Ca 0.31 -0.44 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3dn2 h ASN 116 Cb 0.49 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3dn2 h ASN 116 CO -0.53 1.23 0.27 0.28 -1.65 0.00 0.00 177.43 177.03 3dn2 h SER 117 N 0.76 0.46 -0.49 5.81 0.02 -1.78 -2.14 113.55 116.20 3dn2 h SER 117 Ca 0.07 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3dn2 h SER 117 Cb 0.95 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 3dn2 h SER 117 CO 0.09 0.33 0.26 -0.07 -1.14 0.00 0.00 176.83 176.30 3dn2 h LEU 118 N 0.55 0.38 -0.18 5.07 3.38 -0.79 -0.31 115.31 123.41 3dn2 h LEU 118 Ca 0.16 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3dn2 h LEU 118 Cb -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3dn2 h LEU 118 CO -0.05 0.27 -0.04 -0.09 0.09 0.00 0.00 178.44 178.62 3dn2 h ARG 119 N 0.51 0.01 -0.59 1.13 2.43 -1.18 -0.85 114.38 115.84 3dn2 h ARG 119 Ca 0.21 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3dn2 h ARG 119 Cb 0.10 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3dn2 h ARG 119 CO -0.14 0.01 0.22 0.52 -1.51 0.00 0.00 179.97 179.07 3dn2 h MET 120 N 0.01 0.87 -0.45 0.20 2.86 -0.82 -0.75 114.93 116.85 3dn2 h MET 120 Ca 0.09 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3dn2 h MET 120 Cb 0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3dn2 h MET 120 CO -0.18 0.72 0.02 -0.07 1.06 0.00 0.00 176.91 178.46 3dn2 h LEU 121 N 0.85 0.77 -1.24 1.22 3.38 -0.83 -0.62 115.31 118.85 3dn2 h LEU 121 Ca 0.20 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3dn2 h LEU 121 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dn2 h LEU 121 CO -0.02 0.87 -0.09 -0.61 0.09 0.00 0.00 178.44 178.69 3dn2 h GLN 122 N 0.64 0.41 0.00 1.13 4.15 -0.74 -1.19 115.11 119.51 3dn2 h GLN 122 Ca 0.13 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3dn2 h GLN 122 Cb 0.47 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3dn2 h GLN 122 CO 0.02 0.51 0.00 1.04 -1.93 0.00 0.00 178.83 178.47 3dn2 n GLN 123 N -4.25 0.02 -3.03 1.69 6.02 -0.32 -4.91 117.38 112.59 3dn2 n GLN 123 Ca 0.00 0.16 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 3dn2 n GLN 123 Cb 0.28 -1.52 0.04 0.00 1.02 0.00 0.00 30.24 30.06 3dn2 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dn2 n LYS 124 N -1.55 -4.99 -3.02 -1.09 5.02 -0.45 -4.93 118.16 107.14 3dn2 n LYS 124 Ca 0.05 0.88 -0.44 0.00 -2.02 0.00 0.00 58.31 56.78 3dn2 n LYS 124 Cb 0.25 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.56 3dn2 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dn2 n ARG 125 N -4.00 3.51 -0.13 1.97 1.74 -0.32 -4.89 116.66 114.54 3dn2 n ARG 125 Ca -0.10 -4.06 -0.10 0.00 -0.77 0.00 0.00 57.85 52.82 3dn2 n ARG 125 Cb 0.61 -2.85 -0.02 0.00 -1.02 0.00 0.00 32.46 29.19 3dn2 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dn2 h TRP 126 N 6.76 0.62 -0.41 -1.55 -0.00 -1.89 0.13 115.95 119.62 3dn2 h TRP 126 Ca 0.28 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.89 59.02 3dn2 h TRP 126 Cb 0.84 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.81 3dn2 h TRP 126 CO 1.00 0.62 -0.02 -0.44 -0.00 0.00 0.00 178.44 179.60 3dn2 h ASP 127 N 0.45 0.73 -0.47 -3.49 5.19 -1.90 -0.61 116.42 116.32 3dn2 h ASP 127 Ca 0.11 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 3dn2 h ASP 127 Cb 0.32 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3dn2 h ASP 127 CO 0.00 0.88 0.16 -0.33 -3.12 0.00 0.00 179.24 176.83 3dn2 h GLU 128 N 0.57 0.72 -0.50 3.56 5.08 -1.93 -1.27 114.58 120.82 3dn2 h GLU 128 Ca 0.11 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3dn2 h GLU 128 Cb 0.51 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3dn2 h GLU 128 CO 0.03 0.68 0.26 0.00 -1.00 0.00 0.00 179.01 178.97 3dn2 h ALA 129 N 1.01 0.63 -0.57 3.43 0.00 -0.64 -0.85 119.26 122.27 3dn2 h ALA 129 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dn2 h ALA 129 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dn2 h ALA 129 CO -0.01 -0.08 0.37 0.00 0.00 0.00 0.00 179.25 179.53 3dn2 h ALA 130 N 1.26 0.73 -0.39 0.00 0.00 -0.79 0.47 119.26 120.54 3dn2 h ALA 130 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dn2 h ALA 130 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dn2 h ALA 130 CO -0.14 0.15 0.25 0.28 0.00 0.00 0.00 179.25 179.78 3dn2 h VAL 131 N 0.76 1.12 -0.64 0.00 2.07 -0.98 -2.94 116.25 115.64 3dn2 h VAL 131 Ca 0.21 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3dn2 h VAL 131 Cb -0.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3dn2 h VAL 131 CO -0.06 0.11 0.11 -1.13 0.02 0.00 0.00 177.57 176.63 3dn2 h ASN 132 N 0.53 1.01 -0.60 0.57 -0.73 -0.67 -2.95 115.58 112.74 3dn2 h ASN 132 Ca 0.14 -0.26 0.03 0.00 1.87 0.00 0.00 56.30 58.08 3dn2 h ASN 132 Cb -0.03 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 3dn2 h ASN 132 CO -0.03 1.01 0.40 -0.07 -0.37 0.00 0.00 177.43 178.37 3dn2 h LEU 133 N 0.97 0.64 -0.63 0.34 3.38 -0.84 -2.36 115.31 116.80 3dn2 h LEU 133 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dn2 h LEU 133 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3dn2 h LEU 133 CO 0.01 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3dn2 h ALA 134 N 1.64 1.00 -0.43 1.53 0.00 -1.34 -3.35 119.26 118.32 3dn2 h ALA 134 Ca 0.24 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.42 3dn2 h ALA 134 Cb 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3dn2 h ALA 134 CO -0.06 0.00 2.73 1.63 0.00 0.00 0.00 179.25 183.55 3dn2 n LYS 135 N -2.56 3.50 -3.65 0.00 5.02 -0.89 -4.64 118.16 114.94 3dn2 n LYS 135 Ca 0.03 -3.01 -0.13 0.00 -2.02 0.00 0.00 58.31 53.18 3dn2 n LYS 135 Cb 0.33 -2.99 -0.06 0.00 -0.02 0.00 0.00 35.03 32.29 3dn2 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dn2 s SER 136 N 1.78 -0.32 0.23 4.39 1.04 -1.26 -5.02 113.70 114.53 3dn2 s SER 136 Ca 0.48 0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.94 3dn2 s SER 136 Cb 0.14 0.43 0.31 0.00 0.10 0.00 0.00 66.02 67.00 3dn2 s SER 136 CO -0.05 -0.64 1.81 -0.09 0.98 0.00 0.00 173.24 175.25 3dn2 h ARG 137 N 3.10 0.72 -0.36 4.02 2.43 -1.93 -2.37 114.38 120.00 3dn2 h ARG 137 Ca -0.31 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.89 3dn2 h ARG 137 Cb 1.20 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.50 3dn2 h ARG 137 CO 0.42 0.48 -0.37 2.35 -1.51 0.00 0.00 179.97 181.33 3dn2 h TRP 138 N 0.74 -1.06 -0.31 2.20 7.01 -1.95 0.10 115.95 122.69 3dn2 h TRP 138 Ca 0.35 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.40 3dn2 h TRP 138 Cb 0.26 0.52 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 3dn2 h TRP 138 CO -0.07 -0.42 0.18 -0.92 -2.79 0.00 0.00 178.44 174.43 3dn2 h TYR 139 N -0.32 0.41 -0.71 2.65 3.20 -1.78 -1.09 116.97 119.33 3dn2 h TYR 139 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3dn2 h TYR 139 Cb 0.57 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3dn2 h TYR 139 CO -0.56 0.30 0.32 -0.91 -1.64 0.00 0.00 178.16 175.67 3dn2 h ASN 140 N 0.39 0.93 0.38 -2.11 4.21 -0.85 -1.29 115.58 117.24 3dn2 h ASN 140 Ca 0.11 -0.11 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 3dn2 h ASN 140 Cb 0.02 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 36.99 3dn2 h ASN 140 CO -0.02 0.80 -1.50 1.56 -1.29 0.00 0.00 177.43 176.98 3dn2 h GLN 141 N 1.01 0.38 -2.13 0.81 1.08 -0.70 -3.39 115.11 112.17 3dn2 h GLN 141 Ca 0.24 -0.65 -0.59 0.00 -1.45 0.00 0.00 58.65 56.21 3dn2 h GLN 141 Cb 0.14 0.24 -0.41 0.00 -0.05 0.00 0.00 27.48 27.40 3dn2 h GLN 141 CO -0.03 1.29 -0.77 0.25 -0.95 0.00 0.00 178.83 178.62 3dn2 n THR 142 N -3.58 1.30 -0.18 -0.54 -2.24 -0.42 -4.98 114.28 103.63 3dn2 n THR 142 Ca -0.16 -4.80 -0.10 0.00 -2.27 0.00 0.00 64.05 56.72 3dn2 n THR 142 Cb 1.07 -2.05 0.01 0.00 -2.10 0.00 0.00 70.33 67.25 3dn2 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dn2 h PRO 143 N 4.12 0.88 -0.35 -0.78 0.13 -1.43 -0.79 132.00 133.78 3dn2 h PRO 143 Ca 0.15 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3dn2 h PRO 143 Cb 0.74 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 3dn2 h PRO 143 CO 0.71 0.90 0.14 -0.91 -0.23 0.00 0.00 178.00 178.61 3dn2 h ASN 144 N 0.75 0.48 -0.27 1.44 2.35 -1.94 0.18 115.58 118.57 3dn2 h ASN 144 Ca 0.15 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3dn2 h ASN 144 Cb 0.49 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3dn2 h ASN 144 CO 0.02 0.51 0.06 -0.09 -1.65 0.00 0.00 177.43 176.29 3dn2 h ARG 145 N 0.42 0.44 -0.69 0.81 2.43 -1.96 -2.56 114.38 113.27 3dn2 h ARG 145 Ca 0.12 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3dn2 h ARG 145 Cb 0.18 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 3dn2 h ARG 145 CO -0.01 0.53 0.40 0.00 -1.51 0.00 0.00 179.97 179.38 3dn2 h ALA 146 N 0.89 0.93 -0.70 2.80 0.00 -0.94 -1.21 119.26 121.02 3dn2 h ALA 146 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3dn2 h ALA 146 Cb 0.29 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3dn2 h ALA 146 CO 0.00 0.10 0.39 0.87 0.00 0.00 0.00 179.25 180.61 3dn2 h LYS 147 N 0.74 0.69 -0.23 0.00 1.57 -0.57 0.32 116.57 119.09 3dn2 h LYS 147 Ca 0.30 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3dn2 h LYS 147 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3dn2 h LYS 147 CO -0.17 0.45 0.11 0.00 -0.57 0.00 0.00 179.45 179.27 3dn2 h ARG 148 N 0.71 0.33 -0.52 3.15 3.08 -0.95 -0.34 114.38 119.85 3dn2 h ARG 148 Ca 0.32 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3dn2 h ARG 148 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3dn2 h ARG 148 CO -0.20 0.35 0.13 0.28 -1.07 0.00 0.00 179.97 179.47 3dn2 h VAL 149 N 0.23 1.24 -0.45 2.04 2.07 -0.77 -1.91 116.25 118.70 3dn2 h VAL 149 Ca 0.08 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3dn2 h VAL 149 Cb 0.13 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3dn2 h VAL 149 CO -0.01 0.31 0.16 0.40 0.02 0.00 0.00 177.57 178.45 3dn2 h ILE 150 N 0.72 1.21 -0.99 4.57 2.04 -0.32 -1.65 117.51 123.10 3dn2 h ILE 150 Ca 0.16 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.41 3dn2 h ILE 150 Cb 0.32 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 3dn2 h ILE 150 CO 0.00 0.25 0.64 0.74 0.00 0.00 0.00 178.15 179.78 3dn2 h THR 151 N 0.59 1.08 -0.46 -0.27 2.02 -0.91 0.30 112.91 115.25 3dn2 h THR 151 Ca 0.15 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3dn2 h THR 151 Cb 0.23 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3dn2 h THR 151 CO -0.01 0.21 0.23 0.74 0.37 0.00 0.00 175.52 177.06 3dn2 h THR 152 N 1.14 1.18 -0.42 3.16 2.02 -0.88 -0.48 112.91 118.63 3dn2 h THR 152 Ca 0.43 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3dn2 h THR 152 Cb 0.19 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3dn2 h THR 152 CO -0.17 0.19 -0.10 -0.26 0.37 0.00 0.00 175.52 175.55 3dn2 h PHE 153 N 0.60 0.82 -0.26 3.16 0.04 -0.55 0.09 116.94 120.84 3dn2 h PHE 153 Ca 0.16 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3dn2 h PHE 153 Cb 0.10 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3dn2 h PHE 153 CO -0.01 0.82 -0.15 -0.09 -0.60 0.00 0.00 178.31 178.27 3dn2 h ARG 154 N 0.68 0.57 0.00 1.51 2.43 -0.08 -3.37 114.38 116.11 3dn2 h ARG 154 Ca 0.12 -0.26 -0.23 0.00 -0.81 0.00 0.00 59.98 58.80 3dn2 h ARG 154 Cb 0.57 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3dn2 h ARG 154 CO 0.04 0.83 -2.19 0.25 -1.51 0.00 0.00 179.97 177.39 3dn2 n THR 155 N -4.43 0.87 -1.80 0.20 -2.24 -0.22 -4.77 114.28 101.90 3dn2 n THR 155 Ca -0.04 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 3dn2 n THR 155 Cb 0.38 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 3dn2 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dn2 n GLY 156 N 1.66 0.72 3.61 3.38 0.00 0.02 -5.01 105.19 109.55 3dn2 n GLY 156 Ca -0.22 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 3dn2 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dn2 s THR 157 N -2.61 1.91 -0.51 2.61 -4.23 -1.26 -4.83 115.64 106.72 3dn2 s THR 157 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3dn2 s THR 157 Cb 0.00 -2.96 0.66 0.00 1.34 0.00 0.00 72.50 71.54 3dn2 s THR 157 CO 0.00 0.00 1.52 0.79 -0.54 0.00 0.00 174.62 176.39 3dn2 n TRP 158 N -0.95 1.64 -0.06 3.99 7.02 -1.26 -4.52 117.44 123.30 3dn2 n TRP 158 Ca -0.05 -0.58 0.15 0.00 -1.02 0.00 0.00 57.50 56.00 3dn2 n TRP 158 Cb 0.67 -0.41 0.56 0.00 -2.42 0.00 0.00 31.31 29.71 3dn2 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dn2 h ASP 159 N 3.29 0.26 0.85 -0.99 3.32 -1.96 0.72 116.42 121.91 3dn2 h ASP 159 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3dn2 h ASP 159 Cb 1.64 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.15 3dn2 h ASP 159 CO 0.37 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 3dn2 n ALA 160 N -2.55 2.01 0.00 3.45 0.00 -1.26 -3.85 120.51 118.31 3dn2 n ALA 160 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3dn2 n ALA 160 Cb 0.45 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3dn2 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dn2 n TYR 161 N -1.68 0.00 0.18 0.00 4.02 -0.32 -4.79 117.16 114.57 3dn2 n TYR 161 Ca 0.05 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.10 3dn2 n TYR 161 Cb 0.28 0.00 0.78 0.00 -0.02 0.00 0.00 39.34 40.38 3dn2 n TYR 161 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3dn2 h LYS 162 N 0.00 0.00 -0.00 -0.72 3.64 -1.03 0.10 116.57 118.56 3dn2 h LYS 162 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dn2 h LYS 162 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3dn2 h LYS 162 CO 0.00 0.00 -0.22 -1.71 -2.27 0.00 0.00 179.45 175.25 3dn2 n ASN 163 N -4.01 0.60 -0.58 4.20 5.15 -1.26 -5.12 115.26 114.24 3dn2 n ASN 163 Ca 0.02 -0.51 0.07 0.00 -0.60 0.00 0.00 54.58 53.57 3dn2 n ASN 163 Cb 0.32 0.01 0.06 0.00 -0.53 0.00 0.00 39.78 39.64 3dn2 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84