#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn1 s ASN 2 N 0.00 -0.03 0.33 6.12 2.20 -1.26 -5.02 114.94 117.27 3dn1 s ASN 2 Ca 0.00 -0.99 0.02 0.00 -0.94 0.00 0.00 52.86 50.95 3dn1 s ASN 2 Cb 0.00 0.77 0.59 0.00 -2.00 0.00 0.00 41.25 40.61 3dn1 s ASN 2 CO 0.00 -1.52 1.95 -0.29 -2.94 0.00 0.00 177.10 174.30 3dn1 h ILE 3 N 2.00 1.09 -0.01 0.54 6.09 -1.96 0.61 117.51 125.88 3dn1 h ILE 3 Ca -0.30 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3dn1 h ILE 3 Cb 1.24 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 3dn1 h ILE 3 CO 0.38 0.17 0.00 -0.26 -3.07 0.00 0.00 178.15 175.37 3dn1 h PHE 4 N 0.94 0.01 -0.49 2.19 0.04 -1.99 -1.41 116.94 116.23 3dn1 h PHE 4 Ca 0.33 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.03 3dn1 h PHE 4 Cb 0.12 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3dn1 h PHE 4 CO -0.00 0.26 0.02 0.93 -0.60 0.00 0.00 178.31 178.91 3dn1 h GLU 5 N -0.24 0.81 0.24 1.51 5.08 -1.85 -0.82 114.58 119.31 3dn1 h GLU 5 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3dn1 h GLU 5 Cb 0.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dn1 h GLU 5 CO 0.00 0.80 -0.12 1.98 -1.00 0.00 0.00 179.01 180.68 3dn1 h MET 6 N 0.76 -0.31 -0.29 2.33 4.05 -0.86 -1.70 114.93 118.91 3dn1 h MET 6 Ca 0.15 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.49 3dn1 h MET 6 Cb 0.44 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3dn1 h MET 6 CO 0.02 -0.10 -0.24 -0.07 0.23 0.00 0.00 176.91 176.75 3dn1 h LEU 7 N -0.48 0.56 -0.95 3.39 3.38 -1.22 -1.71 115.31 118.27 3dn1 h LEU 7 Ca -0.03 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.85 3dn1 h LEU 7 Cb 0.36 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3dn1 h LEU 7 CO 0.05 0.79 0.58 -0.09 0.09 0.00 0.00 178.44 179.87 3dn1 h ARG 8 N 0.49 0.94 0.01 1.13 9.65 -1.00 0.27 114.38 125.87 3dn1 h ARG 8 Ca 0.07 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3dn1 h ARG 8 Cb 0.67 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3dn1 h ARG 8 CO 0.05 0.62 -0.00 0.82 2.80 0.00 0.00 179.97 184.26 3dn1 h ILE 9 N 0.97 1.24 -0.23 1.20 2.04 -0.78 -1.29 117.51 120.65 3dn1 h ILE 9 Ca 0.45 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 3dn1 h ILE 9 Cb 0.39 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3dn1 h ILE 9 CO -0.24 0.19 -0.27 0.44 0.00 0.00 0.00 178.15 178.27 3dn1 h ASP 10 N -0.34 0.46 0.00 1.72 3.32 -0.90 -3.30 116.42 117.38 3dn1 h ASP 10 Ca -0.00 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 3dn1 h ASP 10 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3dn1 h ASP 10 CO 0.00 0.73 -2.06 -0.62 -1.72 0.00 0.00 179.24 175.57 3dn1 n GLU 11 N -4.11 0.69 -0.25 3.56 -0.58 0.93 -5.08 120.64 115.80 3dn1 n GLU 11 Ca -0.01 -0.14 0.03 0.00 -0.42 0.00 0.00 57.16 56.63 3dn1 n GLU 11 Cb 0.42 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.78 3dn1 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn1 n GLY 12 N 1.44 -1.83 2.72 0.62 0.00 -0.49 -4.38 105.19 103.28 3dn1 n GLY 12 Ca -0.11 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3dn1 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dn1 s LEU 13 N 0.00 0.39 -0.04 0.99 2.96 -1.26 -4.24 118.68 117.48 3dn1 s LEU 13 Ca 0.00 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3dn1 s LEU 13 Cb 0.00 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.40 3dn1 s LEU 13 CO 0.00 -0.23 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.61 3dn1 s ARG 14 N 2.06 0.85 0.00 1.98 0.52 -0.76 -5.01 118.95 118.60 3dn1 s ARG 14 Ca 0.05 -0.16 0.25 0.00 -0.52 0.00 0.00 55.73 55.35 3dn1 s ARG 14 Cb -0.12 -0.83 0.48 0.00 0.52 0.00 0.00 34.95 35.00 3dn1 s ARG 14 CO -0.04 -0.03 1.40 1.28 0.02 0.00 0.00 175.30 177.93 3dn1 n LEU 15 N 3.81 1.68 -4.38 2.53 4.77 -1.26 0.07 117.00 124.22 3dn1 n LEU 15 Ca -0.23 -0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 54.90 3dn1 n LEU 15 Cb 0.52 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 3dn1 n LEU 15 CO 0.24 0.30 -0.57 -0.54 -1.33 0.00 0.00 177.39 175.49 3dn1 s LYS 16 N -2.35 1.46 0.13 3.23 1.02 -1.26 -0.76 119.74 121.21 3dn1 s LYS 16 Ca 0.25 -1.30 -0.35 0.00 0.02 0.00 0.00 55.97 54.59 3dn1 s LYS 16 Cb 0.19 -1.90 -0.15 0.00 -0.52 0.00 0.00 37.83 35.46 3dn1 s LYS 16 CO 0.48 0.46 1.46 -0.89 -0.92 0.00 0.00 175.35 175.94 3dn1 n ILE 17 N 1.06 0.04 -4.25 2.17 5.41 -0.67 -4.73 119.36 118.39 3dn1 n ILE 17 Ca -0.18 -0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.42 3dn1 n ILE 17 Cb 0.53 -1.20 -0.10 0.00 -0.71 0.00 0.00 39.64 38.16 3dn1 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dn1 s TYR 18 N 0.68 1.33 -0.18 1.39 1.13 -0.00 -4.96 117.35 116.73 3dn1 s TYR 18 Ca 0.81 -1.32 -0.11 0.00 -1.41 0.00 0.00 57.07 55.05 3dn1 s TYR 18 Cb -0.80 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 39.31 3dn1 s TYR 18 CO 0.42 -0.53 0.17 0.15 -2.51 0.00 0.00 175.55 173.25 3dn1 s LYS 19 N -4.08 4.15 0.36 -3.49 1.02 -1.26 0.49 119.74 116.93 3dn1 s LYS 19 Ca 0.38 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 56.18 3dn1 s LYS 19 Cb 0.07 -3.40 0.09 0.00 -0.52 0.00 0.00 37.83 34.07 3dn1 s LYS 19 CO 0.13 0.33 0.36 -0.40 -0.92 0.00 0.00 175.35 174.85 3dn1 n ASP 20 N 3.40 -0.96 0.29 2.83 5.68 0.57 -4.79 116.55 123.57 3dn1 n ASP 20 Ca -0.15 -0.83 0.17 0.00 -0.50 0.00 0.00 54.79 53.47 3dn1 n ASP 20 Cb 0.52 -0.31 0.90 0.00 -1.14 0.00 0.00 41.12 41.09 3dn1 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dn1 h THR 21 N -1.70 0.30 -0.02 2.12 1.35 -1.99 -1.07 112.91 111.90 3dn1 h THR 21 Ca -0.13 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3dn1 h THR 21 Cb 0.39 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3dn1 h THR 21 CO 0.09 0.05 -0.15 -0.62 -0.25 0.00 0.00 175.52 174.63 3dn1 n GLU 22 N -3.41 1.55 -0.40 4.72 -0.58 -1.26 -4.95 120.64 116.30 3dn1 n GLU 22 Ca -0.02 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 3dn1 n GLU 22 Cb 0.17 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3dn1 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn1 n GLY 23 N 1.30 0.78 3.86 0.62 0.00 -0.40 -5.07 105.19 106.28 3dn1 n GLY 23 Ca 0.14 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3dn1 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn1 s TYR 24 N -2.00 3.63 0.17 1.61 2.02 -1.26 -4.72 117.35 116.80 3dn1 s TYR 24 Ca 0.00 0.64 -0.32 0.00 -0.37 0.00 0.00 57.07 57.01 3dn1 s TYR 24 Cb 0.00 -2.03 -0.12 0.00 -0.40 0.00 0.00 41.96 39.40 3dn1 s TYR 24 CO 0.00 0.70 1.71 0.66 -1.57 0.00 0.00 175.55 177.05 3dn1 n TYR 25 N 2.00 2.59 -3.93 2.71 4.01 -1.22 -0.32 117.16 123.00 3dn1 n TYR 25 Ca -0.18 0.07 -0.08 0.00 -0.16 0.00 0.00 57.90 57.54 3dn1 n TYR 25 Cb 0.54 -2.65 -0.08 0.00 -0.31 0.00 0.00 39.34 36.84 3dn1 n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dn1 s THR 26 N 1.43 0.16 0.11 -0.72 2.01 0.18 -1.00 115.64 117.81 3dn1 s THR 26 Ca 0.78 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3dn1 s THR 26 Cb -0.55 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.53 3dn1 s THR 26 CO 0.35 -0.73 0.24 -0.51 -0.69 0.00 0.00 174.62 173.28 3dn1 s ILE 27 N -3.89 0.12 0.00 1.82 2.07 -0.38 -0.82 121.20 120.12 3dn1 s ILE 27 Ca 0.06 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 3dn1 s ILE 27 Cb 0.06 -1.43 0.00 0.00 0.13 0.00 0.00 42.46 41.22 3dn1 s ILE 27 CO -0.10 -0.53 0.00 0.61 -1.91 0.00 0.00 174.94 173.01 3dn1 n GLY 28 N -0.12 2.48 2.99 1.50 0.00 0.11 -0.99 105.19 111.17 3dn1 n GLY 28 Ca -0.13 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3dn1 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dn1 n ILE 29 N 0.00 4.77 -2.69 -0.61 5.41 -1.26 -1.82 119.36 123.16 3dn1 n ILE 29 Ca 0.00 -5.74 -0.18 0.00 1.00 0.00 0.00 62.75 57.83 3dn1 n ILE 29 Cb 0.00 -2.17 0.02 0.00 -0.71 0.00 0.00 39.64 36.78 3dn1 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dn1 n GLY 30 N 1.52 -0.34 3.52 7.39 0.00 -1.23 -4.90 105.19 111.15 3dn1 n GLY 30 Ca 0.26 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3dn1 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dn1 s HIS 31 N -3.00 2.55 0.10 1.61 5.04 -0.16 -4.93 115.29 116.50 3dn1 s HIS 31 Ca 0.16 -0.13 -0.31 0.00 -1.54 0.00 0.00 55.06 53.24 3dn1 s HIS 31 Cb -0.07 -4.40 -0.09 0.00 0.04 0.00 0.00 32.58 28.06 3dn1 s HIS 31 CO 0.20 -1.73 1.65 -1.17 -2.34 0.00 0.00 174.74 171.35 3dn1 s LEU 32 N 4.75 4.37 -0.16 8.88 2.96 -1.26 -1.25 118.68 136.96 3dn1 s LEU 32 Ca 0.31 2.55 -0.09 0.00 -0.22 0.00 0.00 54.13 56.68 3dn1 s LEU 32 Cb -0.12 -3.57 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 3dn1 s LEU 32 CO 0.16 -0.88 0.23 0.18 -1.32 0.00 0.00 176.35 174.72 3dn1 n LEU 33 N 5.14 2.48 -3.60 -0.68 4.77 -0.17 -4.95 117.00 119.99 3dn1 n LEU 33 Ca 0.15 0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.29 3dn1 n LEU 33 Cb 0.40 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3dn1 n LEU 33 CO 0.63 0.73 0.95 0.28 -1.33 0.00 0.00 177.39 178.65 3dn1 s THR 34 N -2.51 0.00 -2.03 -5.08 -1.32 -1.20 -4.86 115.64 98.64 3dn1 s THR 34 Ca -0.26 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.49 3dn1 s THR 34 Cb 0.07 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.39 3dn1 s THR 34 CO 0.70 0.00 1.58 0.29 -2.21 0.00 0.00 174.62 174.98 3dn1 n LYS 35 N 0.36 1.15 -2.17 7.08 5.02 -1.26 -3.42 118.16 124.92 3dn1 n LYS 35 Ca -0.04 -0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 55.14 3dn1 n LYS 35 Cb 0.59 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 3dn1 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dn1 s SER 36 N -2.34 6.85 0.00 4.39 0.15 -1.26 -4.93 113.70 116.56 3dn1 s SER 36 Ca 0.28 2.58 0.26 0.00 0.70 0.00 0.00 55.95 59.77 3dn1 s SER 36 Cb 0.20 -2.64 1.52 0.00 -1.71 0.00 0.00 66.02 63.39 3dn1 s SER 36 CO 0.46 -0.50 1.88 -0.81 1.20 0.00 0.00 173.24 175.48 3dn1 n PRO 37 N 1.33 0.79 -2.89 5.44 -0.04 -1.26 -4.69 135.00 133.68 3dn1 n PRO 37 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 3dn1 n PRO 37 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3dn1 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dn1 s SER 38 N -2.02 6.78 0.30 3.54 0.15 -1.26 -4.94 113.70 116.25 3dn1 s SER 38 Ca 0.38 0.90 -0.01 0.00 0.70 0.00 0.00 55.95 57.92 3dn1 s SER 38 Cb 0.18 -2.44 0.45 0.00 -1.71 0.00 0.00 66.02 62.50 3dn1 s SER 38 CO 0.30 -0.59 1.92 0.25 1.20 0.00 0.00 173.24 176.32 3dn1 h LEU 39 N 9.37 0.86 -0.83 3.45 5.85 -2.00 -2.16 115.31 129.84 3dn1 h LEU 39 Ca -0.23 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3dn1 h LEU 39 Cb 1.09 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3dn1 h LEU 39 CO 0.89 0.70 0.44 0.78 -0.34 0.00 0.00 178.44 180.91 3dn1 h ASN 40 N 0.97 1.06 -0.53 1.25 2.35 -1.98 0.24 115.58 118.94 3dn1 h ASN 40 Ca 0.24 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3dn1 h ASN 40 Cb 0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3dn1 h ASN 40 CO -0.04 0.87 0.35 0.00 -1.65 0.00 0.00 177.43 176.96 3dn1 h ALA 41 N 1.23 0.67 -0.43 -0.83 0.00 -1.87 -1.18 119.26 116.86 3dn1 h ALA 41 Ca 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dn1 h ALA 41 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3dn1 h ALA 41 CO -0.04 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.59 3dn1 h ALA 42 N 1.20 0.54 -0.90 0.00 0.00 -0.90 -1.67 119.26 117.54 3dn1 h ALA 42 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dn1 h ALA 42 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3dn1 h ALA 42 CO -0.05 -0.02 0.55 -0.22 0.00 0.00 0.00 179.25 179.51 3dn1 h LYS 43 N 0.56 1.21 -0.23 0.00 3.64 -0.72 -0.59 116.57 120.43 3dn1 h LYS 43 Ca 0.16 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3dn1 h LYS 43 Cb -0.04 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3dn1 h LYS 43 CO -0.05 0.84 0.12 1.03 -2.27 0.00 0.00 179.45 179.13 3dn1 h SER 44 N 1.23 0.30 -0.69 4.20 0.87 -0.93 -1.05 113.55 117.47 3dn1 h SER 44 Ca 0.32 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 3dn1 h SER 44 Cb -0.06 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 3dn1 h SER 44 CO -0.06 0.32 0.39 -0.33 -0.53 0.00 0.00 176.83 176.62 3dn1 h GLU 45 N 0.26 0.69 0.28 2.24 4.39 -0.90 -1.32 114.58 120.22 3dn1 h GLU 45 Ca 0.08 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3dn1 h GLU 45 Cb 0.10 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3dn1 h GLU 45 CO -0.01 0.46 -0.18 1.25 -1.16 0.00 0.00 179.01 179.36 3dn1 h LEU 46 N 0.71 -0.46 -0.61 1.33 5.85 -0.81 -0.61 115.31 120.71 3dn1 h LEU 46 Ca 0.31 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.16 3dn1 h LEU 46 Cb 0.19 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3dn1 h LEU 46 CO -0.19 -0.29 0.20 0.44 -0.34 0.00 0.00 178.44 178.26 3dn1 h ASP 47 N -0.45 0.16 -0.78 1.25 3.32 -0.94 -0.41 116.42 118.56 3dn1 h ASP 47 Ca -0.03 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3dn1 h ASP 47 Cb 0.38 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3dn1 h ASP 47 CO 0.02 0.09 0.44 0.50 -1.72 0.00 0.00 179.24 178.58 3dn1 h LYS 48 N 0.36 1.07 -0.52 3.56 3.64 -1.09 0.31 116.57 123.90 3dn1 h LYS 48 Ca 0.31 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3dn1 h LYS 48 Cb 0.42 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3dn1 h LYS 48 CO -0.34 0.78 0.01 0.00 -2.27 0.00 0.00 179.45 177.64 3dn1 h ALA 49 N 1.23 0.70 0.00 5.00 0.00 -0.27 -3.30 119.26 122.62 3dn1 h ALA 49 Ca 0.28 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3dn1 h ALA 49 Cb 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dn1 h ALA 49 CO -0.05 0.50 -1.41 0.82 0.00 0.00 0.00 179.25 179.12 3dn1 h ILE 50 N 0.78 1.16 0.00 0.00 1.08 -0.95 -3.49 117.51 116.08 3dn1 h ILE 50 Ca 0.15 -2.93 0.00 0.00 -0.39 0.00 0.00 64.86 61.68 3dn1 h ILE 50 Cb 0.51 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 3dn1 h ILE 50 CO 0.02 0.66 0.00 0.61 -0.69 0.00 0.00 178.15 178.75 3dn1 n GLY 51 N 1.46 0.63 3.42 5.37 0.00 0.11 -5.06 105.19 111.12 3dn1 n GLY 51 Ca -0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 3dn1 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dn1 s ARG 52 N -2.24 1.24 -0.68 1.61 1.70 -1.11 -5.05 118.95 114.41 3dn1 s ARG 52 Ca 0.00 -0.70 -0.27 0.00 -0.47 0.00 0.00 55.73 54.29 3dn1 s ARG 52 Cb 0.00 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 3dn1 s ARG 52 CO 0.00 -0.51 1.38 1.21 -1.08 0.00 0.00 175.30 176.29 3dn1 s ASN 53 N -2.81 6.05 -0.12 -2.89 3.84 -1.26 -4.36 114.94 113.38 3dn1 s ASN 53 Ca 0.05 -0.19 0.14 0.00 0.21 0.00 0.00 52.86 53.06 3dn1 s ASN 53 Cb 0.00 -2.55 -0.24 0.00 -0.55 0.00 0.00 41.25 37.91 3dn1 s ASN 53 CO -0.09 -1.87 0.36 0.35 -2.79 0.00 0.00 177.10 173.05 3dn1 n THR 54 N 6.59 1.52 -4.02 -5.21 -2.24 -1.26 -5.01 114.28 104.64 3dn1 n THR 54 Ca 0.07 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.71 3dn1 n THR 54 Cb 0.49 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 3dn1 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dn1 n ASN 55 N -2.94 -1.90 0.00 3.42 5.15 -1.26 -3.59 115.26 114.15 3dn1 n ASN 55 Ca -0.26 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.57 3dn1 n ASN 55 Cb 1.10 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.93 3dn1 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dn1 n GLY 56 N -2.10 0.87 3.05 8.20 0.00 -1.26 -5.02 105.19 108.93 3dn1 n GLY 56 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3dn1 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dn1 s VAL 57 N -3.45 1.05 0.29 1.61 1.01 -1.24 -1.67 120.40 118.00 3dn1 s VAL 57 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3dn1 s VAL 57 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 3dn1 s VAL 57 CO 0.00 0.32 0.01 0.27 0.00 0.00 0.00 175.10 175.70 3dn1 s ILE 58 N 0.24 1.30 0.60 2.22 -4.36 0.06 -4.84 121.20 116.42 3dn1 s ILE 58 Ca -0.05 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.25 3dn1 s ILE 58 Cb -0.11 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.04 3dn1 s ILE 58 CO 0.02 -0.17 0.89 0.42 0.24 0.00 0.00 174.94 176.34 3dn1 s THR 59 N -3.23 3.18 0.22 8.37 -4.23 -1.26 -4.77 115.64 113.91 3dn1 s THR 59 Ca 0.32 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.54 3dn1 s THR 59 Cb 0.07 -3.27 0.18 0.00 1.34 0.00 0.00 72.50 70.81 3dn1 s THR 59 CO 0.13 -0.26 1.85 0.50 -0.54 0.00 0.00 174.62 176.29 3dn1 h LYS 60 N -0.21 1.13 -0.39 3.99 3.64 -1.99 -0.18 116.57 122.57 3dn1 h LYS 60 Ca -0.45 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3dn1 h LYS 60 Cb 1.28 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3dn1 h LYS 60 CO 0.59 0.81 0.22 -0.44 -2.27 0.00 0.00 179.45 178.37 3dn1 h ASP 61 N 1.13 0.35 -0.47 4.20 5.19 -1.99 -0.07 116.42 124.76 3dn1 h ASP 61 Ca 0.29 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 3dn1 h ASP 61 Cb -0.00 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 3dn1 h ASP 61 CO -0.05 0.25 0.23 -0.33 -3.12 0.00 0.00 179.24 176.22 3dn1 h GLU 62 N 0.45 0.68 -0.43 3.56 5.08 -1.87 -0.25 114.58 121.80 3dn1 h GLU 62 Ca 0.16 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dn1 h GLU 62 Cb 0.02 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3dn1 h GLU 62 CO -0.08 0.57 0.16 0.00 -1.00 0.00 0.00 179.01 178.66 3dn1 h ALA 63 N 1.07 0.52 -0.27 3.43 0.00 -0.63 -2.12 119.26 121.26 3dn1 h ALA 63 Ca 0.16 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3dn1 h ALA 63 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dn1 h ALA 63 CO -0.02 -0.23 -0.13 0.93 0.00 0.00 0.00 179.25 179.80 3dn1 h GLU 64 N 0.33 0.46 0.29 0.00 5.08 -0.73 -1.14 114.58 118.87 3dn1 h GLU 64 Ca 0.20 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3dn1 h GLU 64 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dn1 h GLU 64 CO -0.20 0.58 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.03 3dn1 h LYS 65 N 0.42 -0.38 -0.99 2.33 3.64 -0.52 -0.62 116.57 120.46 3dn1 h LYS 65 Ca 0.08 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3dn1 h LYS 65 Cb 0.48 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 3dn1 h LYS 65 CO 0.03 -0.21 0.63 -0.07 -2.27 0.00 0.00 179.45 177.57 3dn1 h LEU 66 N -0.46 1.01 0.04 5.20 3.38 -1.28 -2.02 115.31 121.18 3dn1 h LEU 66 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dn1 h LEU 66 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3dn1 h LEU 66 CO 0.07 0.64 -0.05 0.15 0.09 0.00 0.00 178.44 179.34 3dn1 h PHE 67 N 1.15 -0.11 -0.50 1.13 3.57 -0.95 0.12 116.94 121.34 3dn1 h PHE 67 Ca 0.43 0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.01 3dn1 h PHE 67 Cb 0.18 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 3dn1 h PHE 67 CO -0.01 -0.07 0.14 -0.91 -2.23 0.00 0.00 178.31 175.23 3dn1 h ASN 68 N -0.10 0.09 -0.65 0.41 -0.26 -0.87 0.05 115.58 114.26 3dn1 h ASN 68 Ca 0.01 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3dn1 h ASN 68 Cb 0.10 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 3dn1 h ASN 68 CO -0.02 0.08 0.37 1.56 -1.06 0.00 0.00 177.43 178.36 3dn1 h GLN 69 N 0.29 0.89 -0.54 0.81 4.20 -1.02 -1.56 115.11 118.19 3dn1 h GLN 69 Ca 0.25 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 3dn1 h GLN 69 Cb 0.31 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3dn1 h GLN 69 CO -0.29 0.65 0.01 -0.44 -0.67 0.00 0.00 178.83 178.10 3dn1 h ASP 70 N 0.88 0.92 -0.20 1.46 3.32 -0.08 0.11 116.42 122.83 3dn1 h ASP 70 Ca 0.23 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3dn1 h ASP 70 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3dn1 h ASP 70 CO -0.04 0.99 0.11 0.58 -1.72 0.00 0.00 179.24 179.16 3dn1 h VAL 71 N 0.82 1.10 -0.19 -1.35 2.07 -0.89 -1.36 116.25 116.45 3dn1 h VAL 71 Ca 0.15 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3dn1 h VAL 71 Cb 0.51 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3dn1 h VAL 71 CO 0.02 0.10 -0.12 0.44 0.02 0.00 0.00 177.57 178.03 3dn1 h ASP 72 N 0.22 -0.39 -0.79 0.57 5.19 -1.08 -1.92 116.42 118.21 3dn1 h ASP 72 Ca 0.07 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.63 3dn1 h ASP 72 Cb 0.06 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 3dn1 h ASP 72 CO -0.01 -0.16 0.52 0.00 -3.12 0.00 0.00 179.24 176.47 3dn1 h ALA 73 N 1.03 1.64 -0.19 3.45 0.00 -0.64 -0.73 119.26 123.81 3dn1 h ALA 73 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dn1 h ALA 73 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dn1 h ALA 73 CO -0.26 0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.21 3dn1 h ALA 74 N 1.57 0.26 0.50 0.00 0.00 -0.72 -0.28 119.26 120.59 3dn1 h ALA 74 Ca 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dn1 h ALA 74 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dn1 h ALA 74 CO -0.12 0.01 -0.24 0.28 0.00 0.00 0.00 179.25 179.18 3dn1 h VAL 75 N 0.09 0.51 -0.66 0.00 2.07 -1.05 -1.48 116.25 115.73 3dn1 h VAL 75 Ca 0.05 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3dn1 h VAL 75 Cb 0.44 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3dn1 h VAL 75 CO 0.01 0.01 0.44 0.03 0.02 0.00 0.00 177.57 178.08 3dn1 h ARG 76 N -0.70 0.80 -0.54 1.57 2.47 -1.16 -1.24 114.38 115.57 3dn1 h ARG 76 Ca -0.07 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3dn1 h ARG 76 Cb 0.53 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 3dn1 h ARG 76 CO 0.11 0.53 0.35 0.78 0.56 0.00 0.00 179.97 182.31 3dn1 h GLY 77 N 0.83 0.76 1.00 0.04 0.00 -0.85 -2.25 103.07 102.59 3dn1 h GLY 77 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3dn1 h GLY 77 CO -0.07 0.27 0.30 -2.22 0.00 0.00 0.00 176.54 174.82 3dn1 h ILE 78 N 0.72 1.13 0.00 2.60 2.04 -0.18 -2.37 117.51 121.45 3dn1 h ILE 78 Ca 0.20 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3dn1 h ILE 78 Cb -0.07 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3dn1 h ILE 78 CO -0.05 0.13 -0.12 -0.07 0.00 0.00 0.00 178.15 178.04 3dn1 h LEU 79 N 0.64 0.00 -0.48 1.44 3.38 -1.07 -2.43 115.31 116.80 3dn1 h LEU 79 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dn1 h LEU 79 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dn1 h LEU 79 CO -0.04 0.12 -0.52 0.54 0.09 0.00 0.00 178.44 178.63 3dn1 n ARG 80 N -3.36 0.65 -3.32 1.13 1.74 -0.86 -4.82 116.66 107.83 3dn1 n ARG 80 Ca -0.01 -0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 56.20 3dn1 n ARG 80 Cb 0.31 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 3dn1 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dn1 s ASN 81 N -2.68 6.35 0.45 0.55 3.84 -0.91 -4.97 114.94 117.57 3dn1 s ASN 81 Ca 0.17 0.41 0.19 0.00 0.21 0.00 0.00 52.86 53.84 3dn1 s ASN 81 Cb 0.18 -2.24 1.07 0.00 -0.55 0.00 0.00 41.25 39.71 3dn1 s ASN 81 CO 0.64 -0.22 1.96 0.00 -2.79 0.00 0.00 177.10 176.68 3dn1 h ALA 82 N 8.05 1.42 0.00 1.71 0.00 -1.89 -0.53 119.26 128.02 3dn1 h ALA 82 Ca -0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3dn1 h ALA 82 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3dn1 h ALA 82 CO 0.68 0.28 -0.38 0.87 0.00 0.00 0.00 179.25 180.70 3dn1 h LYS 83 N 0.00 0.00 0.00 0.00 1.57 -1.93 -3.39 116.57 112.82 3dn1 h LYS 83 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 3dn1 h LYS 83 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3dn1 h LYS 83 CO 0.03 0.34 -2.32 1.28 -0.57 0.00 0.00 179.45 178.21 3dn1 n LEU 84 N -3.17 2.07 -0.09 2.94 4.77 -0.92 -4.61 117.00 117.99 3dn1 n LEU 84 Ca 0.02 -0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 3dn1 n LEU 84 Cb 0.67 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3dn1 n LEU 84 CO 0.39 0.76 0.85 0.50 -1.33 0.00 0.00 177.39 178.55 3dn1 h LYS 85 N 0.00 0.07 -0.65 3.23 3.64 -0.99 -1.06 116.57 120.81 3dn1 h LYS 85 Ca -0.52 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 3dn1 h LYS 85 Cb 1.92 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.67 3dn1 h LYS 85 CO -0.05 0.05 0.38 -1.35 -2.27 0.00 0.00 179.45 176.21 3dn1 h PRO 86 N 0.07 0.70 -0.28 1.90 0.11 -1.83 0.14 132.00 132.82 3dn1 h PRO 86 Ca 0.15 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3dn1 h PRO 86 Cb 0.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3dn1 h PRO 86 CO -0.27 0.46 0.01 0.28 -0.21 0.00 0.00 178.00 178.27 3dn1 h VAL 87 N 0.72 1.25 -0.20 3.15 2.07 -1.72 -1.75 116.25 119.77 3dn1 h VAL 87 Ca 0.28 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dn1 h VAL 87 Cb 0.12 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3dn1 h VAL 87 CO -0.15 0.29 0.01 0.22 0.02 0.00 0.00 177.57 177.96 3dn1 h TYR 88 N 0.27 0.02 -0.38 1.57 3.20 -0.92 -2.15 116.97 118.59 3dn1 h TYR 88 Ca 0.08 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3dn1 h TYR 88 Cb 0.41 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3dn1 h TYR 88 CO 0.03 -0.01 0.26 -0.44 -1.64 0.00 0.00 178.16 176.36 3dn1 h ASP 89 N 0.08 0.24 1.36 -2.11 3.32 -0.59 -2.14 116.42 116.59 3dn1 h ASP 89 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dn1 h ASP 89 Cb 0.11 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3dn1 h ASP 89 CO -0.14 0.16 0.00 0.77 -1.72 0.00 0.00 179.24 178.30 3dn1 h SER 90 N 0.27 0.00 -3.53 6.45 4.64 -0.65 -3.46 113.55 117.27 3dn1 h SER 90 Ca 0.17 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.98 3dn1 h SER 90 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3dn1 h SER 90 CO -0.03 0.00 0.03 -0.76 -0.87 0.00 0.00 176.83 175.20 3dn1 s LEU 91 N -5.49 3.90 0.87 5.97 1.43 -0.80 -5.07 118.68 119.50 3dn1 s LEU 91 Ca 0.06 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 3dn1 s LEU 91 Cb 0.09 -3.85 0.11 0.00 0.03 0.00 0.00 46.19 42.57 3dn1 s LEU 91 CO 0.56 -0.33 1.10 1.51 0.23 0.00 0.00 176.35 179.42 3dn1 s ASP 92 N -3.17 3.76 0.33 2.29 -4.77 -1.26 -4.82 116.67 109.04 3dn1 s ASP 92 Ca 0.49 1.39 0.02 0.00 -3.30 0.00 0.00 52.55 51.15 3dn1 s ASP 92 Cb -0.10 -2.08 0.61 0.00 -1.09 0.00 0.00 42.92 40.26 3dn1 s ASP 92 CO 0.31 -2.45 1.97 0.00 0.70 0.00 0.00 175.17 175.70 3dn1 h ALA 93 N -1.42 1.56 -0.09 2.11 0.00 -1.98 -0.42 119.26 119.02 3dn1 h ALA 93 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3dn1 h ALA 93 Cb 1.28 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dn1 h ALA 93 CO 0.57 0.36 0.02 0.28 0.00 0.00 0.00 179.25 180.48 3dn1 h VAL 94 N 0.91 1.20 -0.00 0.00 2.07 -1.94 -2.39 116.25 116.10 3dn1 h VAL 94 Ca 0.30 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3dn1 h VAL 94 Cb 0.06 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3dn1 h VAL 94 CO -0.09 0.18 -0.48 0.03 0.02 0.00 0.00 177.57 177.23 3dn1 h ARG 95 N -0.07 0.01 -0.90 1.57 3.08 -1.76 -2.21 114.38 114.09 3dn1 h ARG 95 Ca 0.03 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3dn1 h ARG 95 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3dn1 h ARG 95 CO 0.00 0.49 0.58 0.00 -1.07 0.00 0.00 179.97 179.97 3dn1 h ARG 96 N 0.01 1.10 -0.47 0.04 3.08 -0.99 -1.23 114.38 115.91 3dn1 h ARG 96 Ca -0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3dn1 h ARG 96 Cb 0.86 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3dn1 h ARG 96 CO 0.06 0.73 0.27 0.00 -1.07 0.00 0.00 179.97 179.96 3dn1 h ALA 97 N 1.37 0.60 -0.82 0.04 0.00 -0.87 -0.54 119.26 119.04 3dn1 h ALA 97 Ca 0.36 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.34 3dn1 h ALA 97 Cb 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3dn1 h ALA 97 CO -0.12 -0.04 0.49 0.00 0.00 0.00 0.00 179.25 179.58 3dn1 h ALA 98 N 1.21 1.14 -0.21 0.00 0.00 -1.13 0.16 119.26 120.43 3dn1 h ALA 98 Ca 0.19 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dn1 h ALA 98 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dn1 h ALA 98 CO -0.09 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.44 3dn1 h ALA 99 N 1.41 0.25 -0.76 0.00 0.00 -0.66 -2.42 119.26 117.09 3dn1 h ALA 99 Ca 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3dn1 h ALA 99 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3dn1 h ALA 99 CO -0.20 -0.32 0.41 0.82 0.00 0.00 0.00 179.25 179.96 3dn1 h ILE 100 N 0.21 1.23 -0.21 0.00 2.04 -0.52 -2.36 117.51 117.90 3dn1 h ILE 100 Ca 0.09 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3dn1 h ILE 100 Cb 0.03 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 3dn1 h ILE 100 CO -0.07 0.26 -0.09 -1.13 0.00 0.00 0.00 178.15 177.12 3dn1 h ASN 101 N 1.06 -0.31 -0.33 1.72 -0.73 -0.77 0.59 115.58 116.80 3dn1 h ASN 101 Ca 0.27 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.54 3dn1 h ASN 101 Cb 0.05 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 3dn1 h ASN 101 CO -0.04 -0.12 0.17 0.24 -0.37 0.00 0.00 177.43 177.31 3dn1 h MET 102 N -0.06 0.34 -0.58 6.67 2.86 -1.22 -1.75 114.93 121.18 3dn1 h MET 102 Ca 0.11 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3dn1 h MET 102 Cb 0.23 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3dn1 h MET 102 CO -0.25 0.22 0.23 0.28 1.06 0.00 0.00 176.91 178.46 3dn1 h VAL 103 N 0.35 1.22 -0.47 -2.22 2.07 -1.10 -0.55 116.25 115.54 3dn1 h VAL 103 Ca 0.14 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3dn1 h VAL 103 Cb 0.05 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 3dn1 h VAL 103 CO -0.09 0.27 0.02 0.15 0.02 0.00 0.00 177.57 177.94 3dn1 h PHE 104 N 0.79 0.01 -0.13 1.57 3.04 -0.67 0.36 116.94 121.92 3dn1 h PHE 104 Ca 0.19 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 62.02 3dn1 h PHE 104 Cb 0.20 0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.78 3dn1 h PHE 104 CO 0.01 -0.08 -0.53 0.37 -2.02 0.00 0.00 178.31 176.06 3dn1 h GLN 105 N 0.14 0.59 0.00 1.11 4.15 -0.91 -3.39 115.11 116.79 3dn1 h GLN 105 Ca 0.24 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3dn1 h GLN 105 Cb 0.35 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3dn1 h GLN 105 CO -0.38 1.08 -0.48 -1.33 -1.93 0.00 0.00 178.83 175.79 3dn1 n MET 106 N -4.18 4.06 -0.63 1.69 2.81 -0.25 -5.11 117.12 115.50 3dn1 n MET 106 Ca -0.07 -0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.88 3dn1 n MET 106 Cb 0.61 -0.83 -0.03 0.00 -0.71 0.00 0.00 33.22 32.27 3dn1 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dn1 n GLY 107 N 1.40 -2.11 0.22 3.03 0.00 0.13 -2.26 105.19 105.60 3dn1 n GLY 107 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 3dn1 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dn1 h GLU 108 N -0.60 0.34 -0.24 1.61 5.08 -1.94 -2.74 114.58 116.08 3dn1 h GLU 108 Ca -0.03 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 3dn1 h GLU 108 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3dn1 h GLU 108 CO 0.02 0.60 -0.51 1.79 -1.00 0.00 0.00 179.01 179.91 3dn1 h THR 109 N 0.30 1.30 0.00 1.13 1.35 -1.98 -2.45 112.91 112.56 3dn1 h THR 109 Ca 0.04 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 3dn1 h THR 109 Cb 0.66 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3dn1 h THR 109 CO 0.05 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3dn1 n GLY 110 N 0.22 -1.03 0.19 5.82 0.00 -0.96 -3.19 105.19 106.25 3dn1 n GLY 110 Ca -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.01 3dn1 n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dn1 n VAL 111 N -1.67 0.00 -0.02 1.61 3.14 -1.03 -4.64 118.33 115.73 3dn1 n VAL 111 Ca 0.03 -0.43 0.22 0.00 -2.96 0.00 0.00 64.34 61.20 3dn1 n VAL 111 Cb 0.17 1.10 0.72 0.00 -1.06 0.00 0.00 33.84 34.77 3dn1 n VAL 111 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dn1 h ALA 112 N 1.36 2.47 0.00 1.55 0.00 -1.41 -1.59 119.26 121.64 3dn1 h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dn1 h ALA 112 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dn1 h ALA 112 CO 0.00 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.90 3dn1 n GLY 113 N -1.61 -1.29 1.08 0.00 0.00 -1.26 -3.98 105.19 98.12 3dn1 n GLY 113 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3dn1 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dn1 n PHE 114 N -1.29 0.84 -0.23 1.61 3.01 -0.60 -4.53 117.46 116.27 3dn1 n PHE 114 Ca 0.14 -0.36 0.02 0.00 1.01 0.00 0.00 57.45 58.26 3dn1 n PHE 114 Cb 0.24 -0.29 0.10 0.00 -0.01 0.00 0.00 39.48 39.53 3dn1 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dn1 h THR 115 N 1.39 0.35 -0.26 4.37 2.02 -1.80 0.16 112.91 119.13 3dn1 h THR 115 Ca 0.03 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.02 3dn1 h THR 115 Cb 1.14 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3dn1 h THR 115 CO 0.21 0.01 -0.51 0.78 0.37 0.00 0.00 175.52 176.38 3dn1 h ASN 116 N 0.04 0.82 -0.52 4.18 2.35 -1.95 -2.07 115.58 118.44 3dn1 h ASN 116 Ca 0.35 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3dn1 h ASN 116 Cb 0.56 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3dn1 h ASN 116 CO -0.66 1.18 0.34 0.28 -1.65 0.00 0.00 177.43 176.92 3dn1 h SER 117 N 0.58 0.59 -0.44 5.81 0.02 -1.75 -2.06 113.55 116.30 3dn1 h SER 117 Ca 0.02 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3dn1 h SER 117 Cb 1.09 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 3dn1 h SER 117 CO 0.11 0.43 0.26 -0.07 -1.14 0.00 0.00 176.83 176.41 3dn1 h LEU 118 N 0.70 0.41 -0.27 5.07 3.38 -0.78 -0.25 115.31 123.57 3dn1 h LEU 118 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dn1 h LEU 118 Cb -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3dn1 h LEU 118 CO -0.04 0.30 0.18 -0.09 0.09 0.00 0.00 178.44 178.87 3dn1 h ARG 119 N 0.52 0.36 -0.81 1.13 2.43 -1.23 -0.94 114.38 115.85 3dn1 h ARG 119 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3dn1 h ARG 119 Cb 0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3dn1 h ARG 119 CO -0.08 0.25 0.47 0.52 -1.51 0.00 0.00 179.97 179.62 3dn1 h MET 120 N 0.36 1.10 -0.51 0.20 2.86 -0.89 -0.56 114.93 117.49 3dn1 h MET 120 Ca 0.10 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3dn1 h MET 120 Cb -0.03 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 3dn1 h MET 120 CO -0.02 0.78 0.06 -0.07 1.06 0.00 0.00 176.91 178.72 3dn1 h LEU 121 N 1.11 0.83 -1.32 1.22 3.38 -0.81 -0.49 115.31 119.23 3dn1 h LEU 121 Ca 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dn1 h LEU 121 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3dn1 h LEU 121 CO -0.05 0.90 -0.08 -0.61 0.09 0.00 0.00 178.44 178.69 3dn1 h GLN 122 N 0.74 0.36 0.00 1.13 4.15 -0.70 -1.34 115.11 119.45 3dn1 h GLN 122 Ca 0.15 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3dn1 h GLN 122 Cb 0.44 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3dn1 h GLN 122 CO 0.01 0.46 0.00 1.04 -1.93 0.00 0.00 178.83 178.41 3dn1 n GLN 123 N -4.27 0.05 -3.25 1.69 6.02 -0.26 -4.92 117.38 112.44 3dn1 n GLN 123 Ca 0.00 0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.84 3dn1 n GLN 123 Cb 0.26 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.08 3dn1 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dn1 n LYS 124 N -1.47 -6.09 -3.00 -1.09 5.02 -0.51 -4.93 118.16 106.09 3dn1 n LYS 124 Ca 0.07 0.85 -0.44 0.00 -2.02 0.00 0.00 58.31 56.77 3dn1 n LYS 124 Cb 0.28 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 3dn1 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dn1 n ARG 125 N -4.34 3.70 -0.12 1.97 1.74 -0.27 -4.89 116.66 114.44 3dn1 n ARG 125 Ca -0.06 -4.16 -0.09 0.00 -0.77 0.00 0.00 57.85 52.77 3dn1 n ARG 125 Cb 0.59 -2.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.27 3dn1 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dn1 h TRP 126 N 6.40 0.58 -0.29 -1.55 -0.00 -1.89 0.18 115.95 119.39 3dn1 h TRP 126 Ca 0.26 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 59.07 3dn1 h TRP 126 Cb 0.78 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.76 3dn1 h TRP 126 CO 0.98 0.54 0.06 -0.44 -0.00 0.00 0.00 178.44 179.59 3dn1 h ASP 127 N 0.45 0.45 -0.44 -3.49 5.19 -1.90 -0.31 116.42 116.38 3dn1 h ASP 127 Ca 0.12 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3dn1 h ASP 127 Cb 0.22 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3dn1 h ASP 127 CO -0.01 0.58 0.28 -0.33 -3.12 0.00 0.00 179.24 176.64 3dn1 h GLU 128 N 0.30 0.58 -0.58 3.56 5.08 -1.92 -1.53 114.58 120.07 3dn1 h GLU 128 Ca 0.09 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3dn1 h GLU 128 Cb 0.31 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3dn1 h GLU 128 CO 0.00 0.40 0.33 0.00 -1.00 0.00 0.00 179.01 178.74 3dn1 h ALA 129 N 1.14 0.76 -0.50 3.43 0.00 -0.52 -0.73 119.26 122.83 3dn1 h ALA 129 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dn1 h ALA 129 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dn1 h ALA 129 CO -0.03 0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.50 3dn1 h ALA 130 N 1.29 0.64 -0.23 0.00 0.00 -0.69 0.38 119.26 120.64 3dn1 h ALA 130 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dn1 h ALA 130 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dn1 h ALA 130 CO -0.14 0.18 0.14 0.28 0.00 0.00 0.00 179.25 179.71 3dn1 h VAL 131 N 0.67 1.05 -0.71 0.00 2.07 -1.03 -2.92 116.25 115.38 3dn1 h VAL 131 Ca 0.18 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3dn1 h VAL 131 Cb 0.07 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3dn1 h VAL 131 CO -0.03 0.05 0.28 -1.13 0.02 0.00 0.00 177.57 176.77 3dn1 h ASN 132 N 0.30 0.98 -0.49 0.57 -0.73 -0.78 -2.89 115.58 112.53 3dn1 h ASN 132 Ca 0.09 -0.17 0.02 0.00 1.87 0.00 0.00 56.30 58.10 3dn1 h ASN 132 Cb -0.02 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.29 3dn1 h ASN 132 CO -0.03 0.88 0.33 -0.07 -0.37 0.00 0.00 177.43 178.17 3dn1 h LEU 133 N 1.01 0.52 -0.43 0.34 3.38 -0.84 -2.31 115.31 116.97 3dn1 h LEU 133 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dn1 h LEU 133 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dn1 h LEU 133 CO -0.02 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3dn1 h ALA 134 N 1.71 1.00 -0.31 1.53 0.00 -1.32 -3.36 119.26 118.52 3dn1 h ALA 134 Ca 0.19 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.39 3dn1 h ALA 134 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3dn1 h ALA 134 CO -0.05 0.00 2.98 1.63 0.00 0.00 0.00 179.25 183.82 3dn1 n LYS 135 N -2.44 3.56 -3.68 0.00 5.02 -0.87 -4.64 118.16 115.11 3dn1 n LYS 135 Ca 0.04 -2.83 -0.13 0.00 -2.02 0.00 0.00 58.31 53.36 3dn1 n LYS 135 Cb 0.35 -2.96 -0.07 0.00 -0.02 0.00 0.00 35.03 32.33 3dn1 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dn1 s SER 136 N 1.91 -0.29 0.25 4.39 1.04 -1.26 -5.02 113.70 114.72 3dn1 s SER 136 Ca 0.53 0.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.01 3dn1 s SER 136 Cb 0.15 0.41 0.42 0.00 0.10 0.00 0.00 66.02 67.10 3dn1 s SER 136 CO -0.06 -0.60 1.80 -0.09 0.98 0.00 0.00 173.24 175.27 3dn1 h ARG 137 N 3.23 0.75 -0.32 4.02 2.43 -1.93 -2.41 114.38 120.15 3dn1 h ARG 137 Ca -0.30 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3dn1 h ARG 137 Cb 1.19 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.49 3dn1 h ARG 137 CO 0.42 0.49 -0.39 2.35 -1.51 0.00 0.00 179.97 181.34 3dn1 h TRP 138 N 0.77 -1.11 -0.31 2.20 7.01 -1.95 0.77 115.95 123.33 3dn1 h TRP 138 Ca 0.41 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.47 3dn1 h TRP 138 Cb 0.41 0.53 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 3dn1 h TRP 138 CO -0.06 -0.43 0.20 -0.92 -2.79 0.00 0.00 178.44 174.43 3dn1 h TYR 139 N -0.35 0.40 -0.58 2.65 3.20 -1.78 -0.82 116.97 119.69 3dn1 h TYR 139 Ca 0.13 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3dn1 h TYR 139 Cb 0.58 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3dn1 h TYR 139 CO -0.55 0.27 0.17 -0.91 -1.64 0.00 0.00 178.16 175.50 3dn1 h ASN 140 N 0.41 0.81 0.42 -2.11 4.21 -0.91 -1.36 115.58 117.05 3dn1 h ASN 140 Ca 0.11 -0.14 -0.31 0.00 1.21 0.00 0.00 56.30 57.17 3dn1 h ASN 140 Cb -0.02 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 3dn1 h ASN 140 CO -0.02 0.78 -1.52 1.56 -1.29 0.00 0.00 177.43 176.93 3dn1 h GLN 141 N 0.85 0.31 -2.18 0.81 1.08 -0.75 -3.39 115.11 111.85 3dn1 h GLN 141 Ca 0.19 -0.53 -0.59 0.00 -1.45 0.00 0.00 58.65 56.27 3dn1 h GLN 141 Cb 0.26 0.20 -0.41 0.00 -0.05 0.00 0.00 27.48 27.48 3dn1 h GLN 141 CO -0.01 1.20 -0.78 0.25 -0.95 0.00 0.00 178.83 178.54 3dn1 n THR 142 N -3.52 1.14 -0.13 -0.54 -2.24 -0.33 -4.99 114.28 103.68 3dn1 n THR 142 Ca -0.17 -4.72 -0.10 0.00 -2.27 0.00 0.00 64.05 56.79 3dn1 n THR 142 Cb 1.05 -2.04 -0.02 0.00 -2.10 0.00 0.00 70.33 67.23 3dn1 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dn1 h PRO 143 N 4.23 0.60 -0.63 -0.78 0.13 -1.45 -1.14 132.00 132.96 3dn1 h PRO 143 Ca 0.15 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3dn1 h PRO 143 Cb 0.75 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 3dn1 h PRO 143 CO 0.68 0.65 0.29 -0.91 -0.23 0.00 0.00 178.00 178.49 3dn1 h ASN 144 N 0.45 0.83 -0.21 1.44 2.35 -1.94 0.21 115.58 118.71 3dn1 h ASN 144 Ca 0.11 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3dn1 h ASN 144 Cb 0.34 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3dn1 h ASN 144 CO 0.00 0.74 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.39 3dn1 h ARG 145 N 0.87 0.40 -0.84 0.81 2.43 -1.96 -2.60 114.38 113.50 3dn1 h ARG 145 Ca 0.21 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3dn1 h ARG 145 Cb 0.14 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3dn1 h ARG 145 CO -0.03 0.64 0.54 0.00 -1.51 0.00 0.00 179.97 179.61 3dn1 h ALA 146 N 0.75 1.09 -0.80 2.80 0.00 -0.90 -1.08 119.26 121.12 3dn1 h ALA 146 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dn1 h ALA 146 Cb 0.48 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3dn1 h ALA 146 CO 0.02 0.38 0.52 0.87 0.00 0.00 0.00 179.25 181.04 3dn1 h LYS 147 N 1.05 1.06 -0.22 0.00 1.57 -0.54 0.31 116.57 119.80 3dn1 h LYS 147 Ca 0.33 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3dn1 h LYS 147 Cb -0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3dn1 h LYS 147 CO -0.11 0.71 0.09 0.00 -0.57 0.00 0.00 179.45 179.57 3dn1 h ARG 148 N 1.09 0.33 -0.42 3.15 3.08 -0.97 -0.59 114.38 120.05 3dn1 h ARG 148 Ca 0.29 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3dn1 h ARG 148 Cb -0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3dn1 h ARG 148 CO -0.06 0.37 0.13 0.28 -1.07 0.00 0.00 179.97 179.62 3dn1 h VAL 149 N 0.21 1.22 -0.59 2.04 2.07 -0.85 -1.93 116.25 118.43 3dn1 h VAL 149 Ca 0.07 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3dn1 h VAL 149 Cb 0.16 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3dn1 h VAL 149 CO -0.01 0.26 0.26 0.40 0.02 0.00 0.00 177.57 178.50 3dn1 h ILE 150 N 0.54 1.22 -0.91 4.57 2.04 -0.36 -1.60 117.51 123.01 3dn1 h ILE 150 Ca 0.14 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3dn1 h ILE 150 Cb 0.26 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3dn1 h ILE 150 CO -0.00 0.26 0.59 0.74 0.00 0.00 0.00 178.15 179.74 3dn1 h THR 151 N 0.81 1.15 -0.57 -0.27 2.02 -0.96 0.24 112.91 115.32 3dn1 h THR 151 Ca 0.20 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3dn1 h THR 151 Cb 0.16 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 3dn1 h THR 151 CO -0.02 0.21 0.25 0.74 0.37 0.00 0.00 175.52 177.06 3dn1 h THR 152 N 1.13 1.22 -0.51 3.16 2.02 -0.82 -1.00 112.91 118.10 3dn1 h THR 152 Ca 0.36 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 3dn1 h THR 152 Cb 0.03 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3dn1 h THR 152 CO -0.11 0.26 -0.11 -0.26 0.37 0.00 0.00 175.52 175.67 3dn1 h PHE 153 N 0.78 1.06 -0.40 3.16 0.04 -0.51 -0.25 116.94 120.82 3dn1 h PHE 153 Ca 0.19 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 3dn1 h PHE 153 Cb 0.17 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3dn1 h PHE 153 CO 0.00 0.99 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.56 3dn1 h ARG 154 N 0.85 0.74 0.00 1.51 2.43 -0.29 -3.37 114.38 116.25 3dn1 h ARG 154 Ca 0.13 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 3dn1 h ARG 154 Cb 0.65 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3dn1 h ARG 154 CO 0.05 0.86 -2.02 0.25 -1.51 0.00 0.00 179.97 177.59 3dn1 n THR 155 N -4.38 0.62 -1.64 0.20 -2.24 -0.40 -4.76 114.28 101.67 3dn1 n THR 155 Ca -0.01 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 3dn1 n THR 155 Cb 0.33 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3dn1 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dn1 n GLY 156 N 1.71 0.92 3.54 3.38 0.00 -0.11 -5.01 105.19 109.63 3dn1 n GLY 156 Ca -0.16 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3dn1 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dn1 s THR 157 N -2.54 1.82 -0.80 2.61 -4.23 -1.26 -4.83 115.64 106.41 3dn1 s THR 157 Ca 0.00 -2.06 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 3dn1 s THR 157 Cb 0.00 -2.81 0.55 0.00 1.34 0.00 0.00 72.50 71.58 3dn1 s THR 157 CO 0.00 -0.08 1.38 0.79 -0.54 0.00 0.00 174.62 176.17 3dn1 n TRP 158 N -0.82 1.31 -0.18 3.99 7.02 -1.26 -4.50 117.44 122.99 3dn1 n TRP 158 Ca -0.04 -0.48 0.13 0.00 -1.02 0.00 0.00 57.50 56.09 3dn1 n TRP 158 Cb 0.66 -0.31 0.45 0.00 -2.42 0.00 0.00 31.31 29.69 3dn1 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dn1 h ASP 159 N 2.87 0.49 0.70 -0.99 3.32 -1.94 -0.61 116.42 120.26 3dn1 h ASP 159 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dn1 h ASP 159 Cb 1.37 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3dn1 h ASP 159 CO 0.27 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3dn1 n ALA 160 N -2.49 1.80 0.19 3.45 0.00 -1.26 -3.25 120.51 118.96 3dn1 n ALA 160 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.58 3dn1 n ALA 160 Cb 0.45 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3dn1 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dn1 n TYR 161 N -1.75 0.00 -2.65 0.00 4.02 -0.29 -4.88 117.16 111.60 3dn1 n TYR 161 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.53 3dn1 n TYR 161 Cb 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 3dn1 n TYR 161 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3dn1 s LYS 162 N -1.34 4.76 0.00 -0.72 1.02 -0.86 -2.64 119.74 119.97 3dn1 s LYS 162 Ca 0.02 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3dn1 s LYS 162 Cb 0.03 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3dn1 s LYS 162 CO 0.16 0.37 0.00 -1.71 -0.92 0.00 0.00 175.35 173.25 3dn1 n ASN 163 N 1.62 0.00 -0.66 2.83 4.05 -1.26 -4.99 115.26 116.85 3dn1 n ASN 163 Ca -0.01 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.10 3dn1 n ASN 163 Cb 0.47 0.00 0.07 0.00 1.23 0.00 0.00 39.78 41.54 3dn1 n ASN 163 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39