#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn8 h ILE 3 N 0.00 1.00 -0.22 1.53 6.09 -1.96 -2.35 117.51 121.61 3dn8 h ILE 3 Ca 0.00 -0.31 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 3dn8 h ILE 3 Cb 0.00 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.32 3dn8 h ILE 3 CO 0.00 0.16 -0.03 -0.26 -3.07 0.00 0.00 178.15 174.95 3dn8 h PHE 4 N 0.89 0.44 0.00 2.19 0.04 -2.01 -1.08 116.94 117.41 3dn8 h PHE 4 Ca 0.38 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.07 3dn8 h PHE 4 Cb 0.33 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3dn8 h PHE 4 CO -0.00 0.62 0.00 0.39 -0.60 0.00 0.00 178.31 178.72 3dn8 n GLU 5 N -4.63 0.33 0.00 1.51 1.02 -0.88 -1.15 120.64 116.83 3dn8 n GLU 5 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3dn8 n GLU 5 Cb 0.26 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3dn8 n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dn8 n LEU 7 N 0.66 0.00 -0.28 -4.62 4.77 -0.41 -1.68 117.00 115.45 3dn8 n LEU 7 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3dn8 n LEU 7 Cb 0.14 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3dn8 n LEU 7 CO 0.00 0.00 1.13 -0.09 -1.33 0.00 0.00 177.39 177.10 3dn8 h ARG 8 N 0.00 1.05 -0.09 3.23 9.65 -1.37 0.48 114.38 127.32 3dn8 h ARG 8 Ca 0.00 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3dn8 h ARG 8 Cb 0.00 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.37 3dn8 h ARG 8 CO 0.00 0.77 0.03 0.82 2.80 0.00 0.00 179.97 184.38 3dn8 h ILE 9 N 1.04 1.18 -0.05 1.20 2.04 -1.59 -0.88 117.51 120.46 3dn8 h ILE 9 Ca 0.27 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3dn8 h ILE 9 Cb 0.02 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3dn8 h ILE 9 CO -0.05 0.16 -0.53 0.44 0.00 0.00 0.00 178.15 178.18 3dn8 h ASP 10 N -0.05 0.14 0.00 1.72 3.32 -1.80 -3.31 116.42 116.44 3dn8 h ASP 10 Ca 0.03 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3dn8 h ASP 10 Cb 0.23 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3dn8 h ASP 10 CO -0.00 0.64 -2.02 -0.62 -1.72 0.00 0.00 179.24 175.52 3dn8 n GLU 11 N -3.92 0.72 -0.07 3.56 -0.58 0.14 -5.08 120.64 115.40 3dn8 n GLU 11 Ca -0.02 -0.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.61 3dn8 n GLU 11 Cb 0.55 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.95 3dn8 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn8 n GLY 12 N 1.52 -1.71 2.70 0.62 0.00 -0.34 -4.33 105.19 103.66 3dn8 n GLY 12 Ca -0.12 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 3dn8 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dn8 s LEU 13 N 0.00 0.10 -0.05 0.99 2.96 -1.26 -4.20 118.68 117.22 3dn8 s LEU 13 Ca 0.00 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3dn8 s LEU 13 Cb 0.00 -0.06 0.02 0.00 0.50 0.00 0.00 46.19 46.65 3dn8 s LEU 13 CO 0.00 -0.25 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.59 3dn8 s ARG 14 N 2.19 0.96 0.00 1.98 0.52 -0.76 -5.01 118.95 118.83 3dn8 s ARG 14 Ca 0.05 -0.16 0.25 0.00 -0.52 0.00 0.00 55.73 55.34 3dn8 s ARG 14 Cb -0.12 -0.91 0.52 0.00 0.52 0.00 0.00 34.95 34.96 3dn8 s ARG 14 CO -0.04 -0.05 1.43 1.28 0.02 0.00 0.00 175.30 177.94 3dn8 n LEU 15 N 3.94 1.70 -4.45 2.53 4.77 -1.26 -0.26 117.00 123.97 3dn8 n LEU 15 Ca -0.25 -0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 54.88 3dn8 n LEU 15 Cb 0.51 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3dn8 n LEU 15 CO 0.24 0.30 -0.51 -0.75 -1.33 0.00 0.00 177.39 175.34 3dn8 s LYS 16 N -2.32 1.85 0.00 3.23 2.20 -1.26 -1.06 119.74 122.38 3dn8 s LYS 16 Ca 0.26 -1.12 -0.37 0.00 -0.36 0.00 0.00 55.97 54.39 3dn8 s LYS 16 Cb 0.19 -2.10 -0.16 0.00 -1.51 0.00 0.00 37.83 34.26 3dn8 s LYS 16 CO 0.46 0.50 1.52 -0.89 -0.36 0.00 0.00 175.35 176.59 3dn8 n ILE 17 N 1.21 0.12 -4.30 5.43 5.41 -0.79 -4.74 119.36 121.71 3dn8 n ILE 17 Ca -0.16 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.41 3dn8 n ILE 17 Cb 0.52 -1.13 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 3dn8 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dn8 s TYR 18 N 1.56 1.46 -0.15 1.39 1.13 -0.10 -4.96 117.35 117.68 3dn8 s TYR 18 Ca 0.87 -1.12 -0.11 0.00 -1.41 0.00 0.00 57.07 55.30 3dn8 s TYR 18 Cb -0.91 -0.85 -0.05 0.00 -1.10 0.00 0.00 41.96 39.05 3dn8 s TYR 18 CO 0.50 -0.28 0.22 0.15 -2.51 0.00 0.00 175.55 173.63 3dn8 s LYS 19 N -3.99 4.01 0.17 -3.49 1.02 -1.26 0.27 119.74 116.48 3dn8 s LYS 19 Ca 0.34 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.29 3dn8 s LYS 19 Cb 0.07 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3dn8 s LYS 19 CO 0.11 0.43 0.20 -0.40 -0.92 0.00 0.00 175.35 174.77 3dn8 n ASP 20 N 3.01 -0.42 0.29 2.83 5.68 0.40 -4.79 116.55 123.54 3dn8 n ASP 20 Ca -0.15 -0.91 0.16 0.00 -0.50 0.00 0.00 54.79 53.39 3dn8 n ASP 20 Cb 0.53 -0.16 0.89 0.00 -1.14 0.00 0.00 41.12 41.23 3dn8 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dn8 h THR 21 N -1.33 0.41 -0.02 2.12 1.35 -1.99 -0.86 112.91 112.58 3dn8 h THR 21 Ca -0.07 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3dn8 h THR 21 Cb 0.20 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3dn8 h THR 21 CO 0.05 0.05 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.66 3dn8 n GLU 22 N -3.57 1.82 -0.54 4.72 -0.58 -1.26 -4.94 120.64 116.28 3dn8 n GLU 22 Ca -0.02 -1.35 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 3dn8 n GLU 22 Cb 0.16 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3dn8 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn8 n GLY 23 N 1.30 0.67 3.84 0.62 0.00 -0.33 -5.07 105.19 106.22 3dn8 n GLY 23 Ca 0.15 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3dn8 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn8 s TYR 24 N -2.00 3.52 0.18 1.61 2.02 -1.26 -4.71 117.35 116.71 3dn8 s TYR 24 Ca 0.00 0.46 -0.32 0.00 -0.37 0.00 0.00 57.07 56.84 3dn8 s TYR 24 Cb 0.00 -1.94 -0.12 0.00 -0.40 0.00 0.00 41.96 39.50 3dn8 s TYR 24 CO 0.00 0.66 1.75 0.66 -1.57 0.00 0.00 175.55 177.05 3dn8 n TYR 25 N 2.13 2.67 -3.94 2.71 4.01 -1.23 -0.45 117.16 123.05 3dn8 n TYR 25 Ca -0.19 0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.47 3dn8 n TYR 25 Cb 0.55 -2.68 -0.08 0.00 -0.31 0.00 0.00 39.34 36.81 3dn8 n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dn8 s THR 26 N 1.63 0.16 0.13 -0.72 2.01 0.14 -0.97 115.64 118.03 3dn8 s THR 26 Ca 0.78 -1.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 3dn8 s THR 26 Cb -0.52 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 3dn8 s THR 26 CO 0.34 -0.75 0.26 -0.51 -0.69 0.00 0.00 174.62 173.27 3dn8 s ILE 27 N -3.89 0.10 0.00 1.82 2.07 -0.56 -0.92 121.20 119.82 3dn8 s ILE 27 Ca 0.06 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.09 3dn8 s ILE 27 Cb 0.06 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 41.08 3dn8 s ILE 27 CO -0.10 -0.45 0.00 0.61 -1.91 0.00 0.00 174.94 173.09 3dn8 n GLY 28 N -0.15 1.93 3.10 1.50 0.00 0.64 -0.85 105.19 111.36 3dn8 n GLY 28 Ca -0.11 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3dn8 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dn8 n ILE 29 N 0.00 4.95 -2.83 -0.61 5.41 -1.26 -1.84 119.36 123.18 3dn8 n ILE 29 Ca 0.00 -5.72 -0.20 0.00 1.00 0.00 0.00 62.75 57.84 3dn8 n ILE 29 Cb 0.00 -2.25 0.02 0.00 -0.71 0.00 0.00 39.64 36.70 3dn8 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dn8 n GLY 30 N 1.78 -0.39 3.51 7.39 0.00 -1.24 -4.90 105.19 111.34 3dn8 n GLY 30 Ca 0.25 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3dn8 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dn8 s HIS 31 N -3.08 2.51 0.16 1.61 5.04 -0.03 -4.92 115.29 116.58 3dn8 s HIS 31 Ca 0.22 -0.22 -0.32 0.00 -1.54 0.00 0.00 55.06 53.20 3dn8 s HIS 31 Cb -0.10 -4.43 -0.10 0.00 0.04 0.00 0.00 32.58 27.99 3dn8 s HIS 31 CO 0.27 -1.81 1.65 -1.17 -2.34 0.00 0.00 174.74 171.35 3dn8 s LEU 32 N 4.84 4.37 -0.21 8.88 2.96 -1.26 -1.49 118.68 136.77 3dn8 s LEU 32 Ca 0.30 2.69 -0.18 0.00 -0.22 0.00 0.00 54.13 56.72 3dn8 s LEU 32 Cb -0.12 -3.59 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 3dn8 s LEU 32 CO 0.14 -0.89 0.10 0.18 -1.32 0.00 0.00 176.35 174.56 3dn8 n LEU 33 N 4.34 2.00 -3.54 -0.68 4.77 -0.15 -4.95 117.00 118.80 3dn8 n LEU 33 Ca 0.15 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 3dn8 n LEU 33 Cb 0.38 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 3dn8 n LEU 33 CO 0.63 0.42 0.76 0.28 -1.33 0.00 0.00 177.39 178.15 3dn8 s THR 34 N -2.42 0.00 -2.25 -5.08 -1.32 -1.21 -4.89 115.64 98.47 3dn8 s THR 34 Ca -0.30 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.43 3dn8 s THR 34 Cb 0.08 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.36 3dn8 s THR 34 CO 0.59 0.00 1.48 0.29 -2.21 0.00 0.00 174.62 174.77 3dn8 n LYS 35 N 0.11 1.42 -2.09 7.08 5.02 -1.26 -3.52 118.16 124.92 3dn8 n LYS 35 Ca -0.08 -0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.82 3dn8 n LYS 35 Cb 0.60 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 3dn8 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dn8 s SER 36 N -2.26 6.74 0.00 4.39 0.15 -1.26 -4.92 113.70 116.54 3dn8 s SER 36 Ca 0.28 2.69 0.23 0.00 0.70 0.00 0.00 55.95 59.85 3dn8 s SER 36 Cb 0.20 -2.65 1.31 0.00 -1.71 0.00 0.00 66.02 63.17 3dn8 s SER 36 CO 0.43 -0.57 1.74 -0.81 1.20 0.00 0.00 173.24 175.24 3dn8 n PRO 37 N 1.05 0.60 -2.88 5.44 -0.04 -1.26 -4.69 135.00 133.22 3dn8 n PRO 37 Ca 0.01 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 3dn8 n PRO 37 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3dn8 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dn8 s SER 38 N -2.17 6.66 0.28 3.54 0.15 -1.26 -4.93 113.70 115.96 3dn8 s SER 38 Ca 0.31 0.59 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 3dn8 s SER 38 Cb 0.16 -2.43 0.45 0.00 -1.71 0.00 0.00 66.02 62.48 3dn8 s SER 38 CO 0.29 -0.74 1.90 0.25 1.20 0.00 0.00 173.24 176.14 3dn8 h LEU 39 N 9.76 1.00 -0.89 3.45 5.85 -1.99 -1.73 115.31 130.75 3dn8 h LEU 39 Ca -0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3dn8 h LEU 39 Cb 1.09 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3dn8 h LEU 39 CO 0.93 0.65 0.52 0.78 -0.34 0.00 0.00 178.44 180.98 3dn8 h ASN 40 N 1.14 1.08 -0.57 1.25 2.35 -1.98 0.12 115.58 118.96 3dn8 h ASN 40 Ca 0.41 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3dn8 h ASN 40 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3dn8 h ASN 40 CO -0.15 0.84 0.33 0.00 -1.65 0.00 0.00 177.43 176.79 3dn8 h ALA 41 N 1.29 0.73 -0.52 -0.83 0.00 -1.84 -1.21 119.26 116.87 3dn8 h ALA 41 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dn8 h ALA 41 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dn8 h ALA 41 CO -0.06 0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.71 3dn8 h ALA 42 N 1.16 0.67 -0.90 0.00 0.00 -0.73 -1.35 119.26 118.12 3dn8 h ALA 42 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dn8 h ALA 42 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3dn8 h ALA 42 CO -0.04 0.20 0.49 0.87 0.00 0.00 0.00 179.25 180.77 3dn8 h LYS 43 N 0.70 1.25 -0.41 0.00 1.57 -0.58 -0.45 116.57 118.65 3dn8 h LYS 43 Ca 0.18 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3dn8 h LYS 43 Cb 0.05 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3dn8 h LYS 43 CO -0.03 0.91 0.23 1.03 -0.57 0.00 0.00 179.45 181.02 3dn8 h SER 44 N 1.26 0.50 -0.89 0.86 0.87 -0.84 -0.20 113.55 115.11 3dn8 h SER 44 Ca 0.32 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3dn8 h SER 44 Cb 0.03 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3dn8 h SER 44 CO -0.05 0.43 0.46 -0.33 -0.53 0.00 0.00 176.83 176.82 3dn8 h GLU 45 N 0.53 1.25 0.03 2.24 4.39 -0.85 -1.23 114.58 120.93 3dn8 h GLU 45 Ca 0.14 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3dn8 h GLU 45 Cb 0.04 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3dn8 h GLU 45 CO -0.02 0.93 -0.01 1.25 -1.16 0.00 0.00 179.01 179.99 3dn8 h LEU 46 N 1.25 -0.03 -0.84 1.33 5.85 -0.76 -0.83 115.31 121.28 3dn8 h LEU 46 Ca 0.31 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.04 3dn8 h LEU 46 Cb 0.06 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3dn8 h LEU 46 CO -0.05 0.03 0.51 0.44 -0.34 0.00 0.00 178.44 179.04 3dn8 h ASP 47 N -0.09 0.80 -0.63 1.25 3.32 -0.81 -0.96 116.42 119.29 3dn8 h ASP 47 Ca -0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3dn8 h ASP 47 Cb 0.08 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3dn8 h ASP 47 CO 0.01 0.50 0.28 0.50 -1.72 0.00 0.00 179.24 178.81 3dn8 h LYS 48 N 0.93 0.92 -0.42 3.56 3.64 -1.04 0.27 116.57 124.43 3dn8 h LYS 48 Ca 0.37 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 3dn8 h LYS 48 Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3dn8 h LYS 48 CO -0.18 0.76 -0.22 0.00 -2.27 0.00 0.00 179.45 177.54 3dn8 h ALA 49 N 1.12 0.83 0.02 5.00 0.00 -0.53 -3.29 119.26 122.40 3dn8 h ALA 49 Ca 0.21 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 3dn8 h ALA 49 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dn8 h ALA 49 CO -0.02 0.64 -1.67 0.82 0.00 0.00 0.00 179.25 179.02 3dn8 h ILE 50 N 0.73 0.91 0.00 0.00 1.08 -1.06 -3.49 117.51 115.68 3dn8 h ILE 50 Ca 0.10 -2.73 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3dn8 h ILE 50 Cb 0.75 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 3dn8 h ILE 50 CO 0.06 0.59 0.00 0.61 -0.69 0.00 0.00 178.15 178.72 3dn8 n GLY 51 N 1.59 0.78 3.59 5.37 0.00 0.92 -5.07 105.19 112.38 3dn8 n GLY 51 Ca -0.17 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 3dn8 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dn8 s ARG 52 N -1.41 1.49 -0.69 1.61 1.70 -1.11 -5.05 118.95 115.49 3dn8 s ARG 52 Ca 0.00 -0.97 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 3dn8 s ARG 52 Cb 0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3dn8 s ARG 52 CO 0.00 -0.64 1.34 1.21 -1.08 0.00 0.00 175.30 176.13 3dn8 s ASN 53 N -2.91 6.11 -0.07 -2.89 3.84 -1.26 -4.37 114.94 113.38 3dn8 s ASN 53 Ca 0.12 -0.22 0.16 0.00 0.21 0.00 0.00 52.86 53.13 3dn8 s ASN 53 Cb -0.02 -2.55 -0.22 0.00 -0.55 0.00 0.00 41.25 37.90 3dn8 s ASN 53 CO 0.01 -1.83 0.48 0.35 -2.79 0.00 0.00 177.10 173.32 3dn8 n THR 54 N 6.55 1.35 -4.12 -5.21 -2.24 -1.26 -4.99 114.28 104.36 3dn8 n THR 54 Ca 0.06 -0.78 -0.33 0.00 -2.27 0.00 0.00 64.05 60.73 3dn8 n THR 54 Cb 0.49 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 3dn8 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dn8 n ASN 55 N -2.86 -3.06 0.00 3.42 5.15 -1.26 -3.18 115.26 113.47 3dn8 n ASN 55 Ca -0.20 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 3dn8 n ASN 55 Cb 1.01 -3.03 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 3dn8 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dn8 n GLY 56 N -1.56 0.71 3.00 8.20 0.00 -1.26 -5.04 105.19 109.24 3dn8 n GLY 56 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3dn8 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dn8 s VAL 57 N -2.47 0.86 0.33 1.61 1.01 -1.19 -1.89 120.40 118.66 3dn8 s VAL 57 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3dn8 s VAL 57 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3dn8 s VAL 57 CO 0.00 0.28 0.05 0.27 0.00 0.00 0.00 175.10 175.70 3dn8 s ILE 58 N 0.38 1.26 0.51 2.22 -4.36 -0.22 -4.83 121.20 116.17 3dn8 s ILE 58 Ca -0.07 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 3dn8 s ILE 58 Cb -0.11 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.81 3dn8 s ILE 58 CO 0.01 -0.01 0.76 0.42 0.24 0.00 0.00 174.94 176.36 3dn8 s THR 59 N -3.24 3.57 0.20 8.37 -4.23 -1.26 -4.80 115.64 114.24 3dn8 s THR 59 Ca 0.36 -0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 3dn8 s THR 59 Cb 0.09 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.69 3dn8 s THR 59 CO 0.16 -0.28 1.82 0.50 -0.54 0.00 0.00 174.62 176.27 3dn8 h LYS 60 N 0.15 0.66 -0.50 3.99 3.64 -1.99 -0.86 116.57 121.67 3dn8 h LYS 60 Ca -0.45 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3dn8 h LYS 60 Cb 1.27 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3dn8 h LYS 60 CO 0.57 0.44 0.31 -0.44 -2.27 0.00 0.00 179.45 178.06 3dn8 h ASP 61 N 0.68 0.52 -0.63 4.20 3.32 -1.99 -0.30 116.42 122.23 3dn8 h ASP 61 Ca 0.26 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3dn8 h ASP 61 Cb 0.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3dn8 h ASP 61 CO -0.14 0.37 0.32 -0.33 -1.72 0.00 0.00 179.24 177.75 3dn8 h GLU 62 N 0.63 0.89 -0.46 3.56 5.08 -1.86 -0.35 114.58 122.07 3dn8 h GLU 62 Ca 0.19 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dn8 h GLU 62 Cb -0.03 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3dn8 h GLU 62 CO -0.07 0.70 0.29 0.00 -1.00 0.00 0.00 179.01 178.93 3dn8 h ALA 63 N 1.15 0.58 -0.10 3.43 0.00 -0.78 -2.02 119.26 121.52 3dn8 h ALA 63 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3dn8 h ALA 63 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dn8 h ALA 63 CO -0.03 -0.01 -0.30 0.93 0.00 0.00 0.00 179.25 179.83 3dn8 h GLU 64 N 0.58 0.19 -0.05 0.00 5.08 -0.74 -1.14 114.58 118.50 3dn8 h GLU 64 Ca 0.18 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3dn8 h GLU 64 Cb -0.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dn8 h GLU 64 CO -0.06 0.48 0.01 -0.22 -1.00 0.00 0.00 179.01 178.22 3dn8 h LYS 65 N 0.17 0.08 -0.93 2.33 3.64 -0.71 -0.60 116.57 120.56 3dn8 h LYS 65 Ca 0.02 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3dn8 h LYS 65 Cb 0.63 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 3dn8 h LYS 65 CO 0.05 0.31 0.59 -0.07 -2.27 0.00 0.00 179.45 178.06 3dn8 h LEU 66 N -0.16 0.96 -0.23 5.20 3.38 -1.18 -1.84 115.31 121.45 3dn8 h LEU 66 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dn8 h LEU 66 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3dn8 h LEU 66 CO 0.00 0.64 0.13 0.15 0.09 0.00 0.00 178.44 179.45 3dn8 h PHE 67 N 1.11 0.31 -0.50 1.13 3.57 -1.00 0.11 116.94 121.68 3dn8 h PHE 67 Ca 0.39 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.95 3dn8 h PHE 67 Cb 0.09 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3dn8 h PHE 67 CO -0.02 0.27 0.16 -0.91 -2.23 0.00 0.00 178.31 175.58 3dn8 h ASN 68 N 0.27 0.14 -0.54 0.41 2.35 -0.79 -0.36 115.58 117.05 3dn8 h ASN 68 Ca 0.08 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3dn8 h ASN 68 Cb 0.06 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3dn8 h ASN 68 CO -0.01 0.10 0.24 1.56 -1.65 0.00 0.00 177.43 177.67 3dn8 h GLN 69 N 0.32 0.78 -0.40 0.81 4.20 -0.90 -1.71 115.11 118.22 3dn8 h GLN 69 Ca 0.25 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3dn8 h GLN 69 Cb 0.28 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3dn8 h GLN 69 CO -0.27 0.66 0.07 -0.44 -0.67 0.00 0.00 178.83 178.18 3dn8 h ASP 70 N 0.72 0.63 -0.22 1.46 3.32 -0.30 0.15 116.42 122.18 3dn8 h ASP 70 Ca 0.18 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3dn8 h ASP 70 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dn8 h ASP 70 CO -0.02 0.72 0.12 0.58 -1.72 0.00 0.00 179.24 178.92 3dn8 h VAL 71 N 0.51 1.11 -0.28 -1.35 2.07 -1.03 -0.43 116.25 116.85 3dn8 h VAL 71 Ca 0.12 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3dn8 h VAL 71 Cb 0.35 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3dn8 h VAL 71 CO 0.01 0.11 -0.09 -0.78 0.02 0.00 0.00 177.57 176.83 3dn8 h ASP 72 N 0.24 -0.32 -0.92 0.57 -0.00 -1.15 -1.80 116.42 113.04 3dn8 h ASP 72 Ca 0.08 0.09 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 3dn8 h ASP 72 Cb 0.07 0.20 -0.04 0.00 -0.00 0.00 0.00 39.33 39.55 3dn8 h ASP 72 CO -0.01 -0.12 0.54 0.00 -0.00 0.00 0.00 179.24 179.65 3dn8 h ALA 73 N 1.23 1.21 0.09 -0.78 0.00 -0.46 -0.98 119.26 119.56 3dn8 h ALA 73 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dn8 h ALA 73 Cb 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dn8 h ALA 73 CO -0.30 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 3dn8 h ALA 74 N 1.31 -0.12 -0.12 0.00 0.00 -0.64 0.22 119.26 119.92 3dn8 h ALA 74 Ca 0.33 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3dn8 h ALA 74 Cb -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dn8 h ALA 74 CO -0.06 -0.55 0.04 0.28 0.00 0.00 0.00 179.25 178.96 3dn8 h VAL 75 N -0.15 0.97 -0.91 0.00 2.07 -1.11 -2.12 116.25 115.00 3dn8 h VAL 75 Ca -0.01 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dn8 h VAL 75 Cb 0.12 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3dn8 h VAL 75 CO 0.02 0.02 0.60 0.03 0.02 0.00 0.00 177.57 178.26 3dn8 h ARG 76 N 0.10 1.17 -0.72 1.57 2.47 -1.06 -2.05 114.38 115.86 3dn8 h ARG 76 Ca 0.05 -0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3dn8 h ARG 76 Cb 0.03 -0.26 -0.05 0.00 -1.65 0.00 0.00 29.97 28.04 3dn8 h ARG 76 CO -0.06 0.78 0.45 0.78 0.56 0.00 0.00 179.97 182.48 3dn8 h GLY 77 N 1.21 1.05 0.98 0.04 0.00 -0.60 -1.24 103.07 104.51 3dn8 h GLY 77 Ca 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3dn8 h GLY 77 CO -0.08 0.27 -0.06 -2.22 0.00 0.00 0.00 176.54 174.45 3dn8 h ILE 78 N 0.87 0.89 0.00 2.60 2.04 -0.73 -2.95 117.51 120.23 3dn8 h ILE 78 Ca 0.30 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 66.06 3dn8 h ILE 78 Cb 0.05 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3dn8 h ILE 78 CO -0.12 0.01 -0.20 -0.07 0.00 0.00 0.00 178.15 177.77 3dn8 h LEU 79 N -0.19 0.00 -0.58 1.44 3.38 -1.17 -2.41 115.31 115.78 3dn8 h LEU 79 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3dn8 h LEU 79 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dn8 h LEU 79 CO 0.03 0.20 -0.49 -0.09 0.09 0.00 0.00 178.44 178.18 3dn8 h ARG 80 N 0.00 0.00 -6.03 1.13 2.43 -1.16 -3.43 114.38 107.32 3dn8 h ARG 80 Ca -0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 3dn8 h ARG 80 Cb 0.57 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 3dn8 h ARG 80 CO 0.03 0.49 0.51 1.21 -1.51 0.00 0.00 179.97 180.70 3dn8 s ASN 81 N -6.50 6.49 0.62 -3.80 3.84 -0.91 -4.93 114.94 109.76 3dn8 s ASN 81 Ca 0.01 0.11 0.42 0.00 0.21 0.00 0.00 52.86 53.61 3dn8 s ASN 81 Cb 0.10 -2.43 2.25 0.00 -0.55 0.00 0.00 41.25 40.62 3dn8 s ASN 81 CO 0.72 -0.98 2.27 0.00 -2.79 0.00 0.00 177.10 176.33 3dn8 h ALA 82 N 8.96 1.00 0.00 1.71 0.00 -1.84 -0.21 119.26 128.88 3dn8 h ALA 82 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 3dn8 h ALA 82 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3dn8 h ALA 82 CO 1.00 0.00 -2.04 1.63 0.00 0.00 0.00 179.25 179.84 3dn8 n LYS 83 N -2.97 0.66 0.04 0.00 5.02 -1.26 -4.43 118.16 115.22 3dn8 n LYS 83 Ca -0.03 0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3dn8 n LYS 83 Cb 0.07 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.28 3dn8 n LYS 83 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dn8 h LEU 84 N 0.00 0.19 -0.46 -0.35 3.38 -1.60 -3.37 115.31 113.10 3dn8 h LEU 84 Ca -0.41 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.37 3dn8 h LEU 84 Cb 2.12 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.73 3dn8 h LEU 84 CO 0.05 1.23 0.02 0.50 0.09 0.00 0.00 178.44 180.33 3dn8 h LYS 85 N 0.03 0.13 -0.93 1.13 3.64 -1.06 -1.92 116.57 117.60 3dn8 h LYS 85 Ca -0.20 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 3dn8 h LYS 85 Cb 1.95 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.69 3dn8 h LYS 85 CO 0.13 0.09 0.61 -1.35 -2.27 0.00 0.00 179.45 176.65 3dn8 h PRO 86 N 0.14 1.12 -0.05 1.90 0.11 -1.78 0.14 132.00 133.57 3dn8 h PRO 86 Ca 0.23 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3dn8 h PRO 86 Cb 0.33 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3dn8 h PRO 86 CO -0.36 0.74 0.00 0.28 -0.21 0.00 0.00 178.00 178.45 3dn8 h VAL 87 N 1.15 1.23 -0.36 3.15 2.07 -1.63 -1.98 116.25 119.87 3dn8 h VAL 87 Ca 0.37 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3dn8 h VAL 87 Cb 0.04 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3dn8 h VAL 87 CO -0.12 0.19 0.12 0.22 0.02 0.00 0.00 177.57 178.01 3dn8 h TYR 88 N -0.18 0.22 0.00 1.57 3.20 -1.05 -2.01 116.97 118.70 3dn8 h TYR 88 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3dn8 h TYR 88 Cb 0.30 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3dn8 h TYR 88 CO 0.02 0.09 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.13 3dn8 h ASP 89 N 0.27 0.00 1.35 -2.11 3.32 -0.65 -2.06 116.42 116.54 3dn8 h ASP 89 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dn8 h ASP 89 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dn8 h ASP 89 CO -0.18 0.06 0.00 0.77 -1.72 0.00 0.00 179.24 178.18 3dn8 h SER 90 N 0.00 0.00 -3.55 6.45 4.64 -0.59 -3.46 113.55 117.04 3dn8 h SER 90 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3dn8 h SER 90 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dn8 h SER 90 CO 0.01 0.00 0.04 -0.76 -0.87 0.00 0.00 176.83 175.25 3dn8 s LEU 91 N -5.22 3.90 0.91 5.97 1.43 -0.78 -5.06 118.68 119.83 3dn8 s LEU 91 Ca 0.07 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 3dn8 s LEU 91 Cb 0.09 -3.87 0.14 0.00 0.03 0.00 0.00 46.19 42.58 3dn8 s LEU 91 CO 0.56 -0.34 1.11 1.51 0.23 0.00 0.00 176.35 179.42 3dn8 s ASP 92 N -3.15 3.42 0.33 2.29 -4.77 -1.26 -4.82 116.67 108.72 3dn8 s ASP 92 Ca 0.49 1.15 0.02 0.00 -3.30 0.00 0.00 52.55 50.90 3dn8 s ASP 92 Cb -0.10 -1.79 0.57 0.00 -1.09 0.00 0.00 42.92 40.51 3dn8 s ASP 92 CO 0.31 -2.63 1.95 0.00 0.70 0.00 0.00 175.17 175.50 3dn8 h ALA 93 N -1.54 1.44 -0.05 2.11 0.00 -1.98 -0.43 119.26 118.81 3dn8 h ALA 93 Ca -0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3dn8 h ALA 93 Cb 1.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dn8 h ALA 93 CO 0.59 0.45 -0.01 0.28 0.00 0.00 0.00 179.25 180.57 3dn8 h VAL 94 N 0.80 1.30 -0.12 0.00 2.07 -1.94 -2.49 116.25 115.87 3dn8 h VAL 94 Ca 0.20 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3dn8 h VAL 94 Cb 0.06 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3dn8 h VAL 94 CO -0.03 0.25 -0.24 0.03 0.02 0.00 0.00 177.57 177.61 3dn8 h ARG 95 N -0.27 0.20 -0.93 1.57 3.08 -1.78 -2.14 114.38 114.11 3dn8 h ARG 95 Ca 0.01 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3dn8 h ARG 95 Cb 0.41 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 3dn8 h ARG 95 CO 0.00 0.44 0.60 0.00 -1.07 0.00 0.00 179.97 179.94 3dn8 h ARG 96 N 0.19 1.08 -0.71 0.04 3.08 -0.98 -0.78 114.38 116.30 3dn8 h ARG 96 Ca 0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3dn8 h ARG 96 Cb 0.53 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3dn8 h ARG 96 CO 0.04 0.71 0.46 0.00 -1.07 0.00 0.00 179.97 180.11 3dn8 h ALA 97 N 1.41 0.92 -0.80 0.04 0.00 -0.93 -0.80 119.26 119.11 3dn8 h ALA 97 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3dn8 h ALA 97 Cb 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3dn8 h ALA 97 CO -0.15 0.28 0.39 0.00 0.00 0.00 0.00 179.25 179.76 3dn8 h ALA 98 N 1.28 1.19 -0.32 0.00 0.00 -1.01 -0.44 119.26 119.96 3dn8 h ALA 98 Ca 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dn8 h ALA 98 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3dn8 h ALA 98 CO -0.08 0.62 0.20 0.00 0.00 0.00 0.00 179.25 179.99 3dn8 h ALA 99 N 1.30 0.41 -0.77 0.00 0.00 -0.63 -2.96 119.26 116.62 3dn8 h ALA 99 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3dn8 h ALA 99 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3dn8 h ALA 99 CO -0.04 -0.10 0.42 0.82 0.00 0.00 0.00 179.25 180.35 3dn8 h ILE 100 N 0.42 1.23 0.00 0.00 2.04 -0.73 -2.11 117.51 118.36 3dn8 h ILE 100 Ca 0.11 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dn8 h ILE 100 Cb -0.01 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3dn8 h ILE 100 CO -0.02 0.26 0.00 -3.20 0.00 0.00 0.00 178.15 175.18 3dn8 n ASN 101 N -4.44 0.00 0.00 1.72 2.85 -0.21 -0.57 115.26 114.61 3dn8 n ASN 101 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 3dn8 n ASN 101 Cb 0.09 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.11 3dn8 n ASN 101 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3dn8 n VAL 103 N 0.13 0.00 -0.19 3.44 0.31 -0.79 -1.64 118.33 119.59 3dn8 n VAL 103 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3dn8 n VAL 103 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 3dn8 n VAL 103 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3dn8 h PHE 104 N 0.00 0.48 0.00 3.52 3.04 -1.11 0.31 116.94 123.18 3dn8 h PHE 104 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3dn8 h PHE 104 Cb 0.00 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.38 3dn8 h PHE 104 CO 0.00 0.21 0.00 0.94 -2.02 0.00 0.00 178.31 177.44 3dn8 n GLN 105 N -4.90 0.31 -3.67 1.11 7.27 -0.65 -5.05 117.38 111.80 3dn8 n GLN 105 Ca 0.06 0.10 -0.15 0.00 0.07 0.00 0.00 57.00 57.08 3dn8 n GLN 105 Cb 0.18 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.25 3dn8 n GLN 105 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3dn8 s GLY 107 N -2.46 -0.32 0.56 1.69 0.00 0.11 -5.15 107.32 101.75 3dn8 s GLY 107 Ca 0.19 0.78 0.37 0.00 0.00 0.00 0.00 44.72 46.07 3dn8 s GLY 107 CO 0.26 0.53 2.15 0.83 0.00 0.00 0.00 173.10 176.86 3dn8 h GLU 108 N 3.72 0.00 -0.01 2.90 3.07 -1.97 0.41 114.58 122.69 3dn8 h GLU 108 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3dn8 h GLU 108 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3dn8 h GLU 108 CO 0.38 0.00 -0.50 2.41 -1.40 0.00 0.00 179.01 179.90 3dn8 n THR 109 N -2.82 0.00 0.17 1.13 -1.04 -1.26 -3.27 114.28 107.19 3dn8 n THR 109 Ca -0.02 -0.25 0.05 0.00 -2.04 0.00 0.00 64.05 61.79 3dn8 n THR 109 Cb 0.06 1.19 0.13 0.00 -1.82 0.00 0.00 70.33 69.90 3dn8 n THR 109 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3dn8 h GLY 110 N 4.30 0.00 0.43 3.41 0.00 -0.65 -3.09 103.07 107.47 3dn8 h GLY 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dn8 h GLY 110 CO 0.00 0.00 -0.12 -0.62 0.00 0.00 0.00 176.54 175.80 3dn8 n VAL 111 N -3.24 0.00 -0.30 4.60 0.31 -0.54 -4.12 118.33 115.04 3dn8 n VAL 111 Ca 0.02 -0.12 0.15 0.00 -0.01 0.00 0.00 64.34 64.38 3dn8 n VAL 111 Cb 0.64 0.15 0.40 0.00 -0.91 0.00 0.00 33.84 34.12 3dn8 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dn8 h ALA 112 N 3.81 1.90 0.00 3.52 0.00 -1.52 0.17 119.26 127.14 3dn8 h ALA 112 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dn8 h ALA 112 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dn8 h ALA 112 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3dn8 n GLY 113 N -1.42 -0.98 1.50 0.00 0.00 -1.26 -3.47 105.19 99.56 3dn8 n GLY 113 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3dn8 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dn8 n PHE 114 N -1.31 1.44 -0.29 1.61 3.01 0.05 -4.63 117.46 117.34 3dn8 n PHE 114 Ca 0.09 -0.55 0.08 0.00 1.01 0.00 0.00 57.45 58.09 3dn8 n PHE 114 Cb 0.17 -0.28 0.20 0.00 -0.01 0.00 0.00 39.48 39.55 3dn8 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dn8 h THR 115 N 3.54 0.23 -0.47 4.37 2.02 -1.71 -0.34 112.91 120.54 3dn8 h THR 115 Ca 0.00 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 3dn8 h THR 115 Cb 1.43 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3dn8 h THR 115 CO 0.26 0.01 -0.18 0.78 0.37 0.00 0.00 175.52 176.77 3dn8 h ASN 116 N 0.07 0.94 -0.25 4.18 2.35 -1.92 -2.01 115.58 118.94 3dn8 h ASN 116 Ca 0.47 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3dn8 h ASN 116 Cb 0.87 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3dn8 h ASN 116 CO -0.76 1.09 0.13 0.28 -1.65 0.00 0.00 177.43 176.52 3dn8 h SER 117 N 0.81 0.32 -0.76 5.81 0.02 -1.58 -3.06 113.55 115.11 3dn8 h SER 117 Ca 0.11 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3dn8 h SER 117 Cb 0.73 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 3dn8 h SER 117 CO 0.06 0.34 0.46 -0.07 -1.14 0.00 0.00 176.83 176.47 3dn8 h LEU 118 N 0.29 0.70 -1.10 5.07 3.38 -0.92 -0.47 115.31 122.26 3dn8 h LEU 118 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dn8 h LEU 118 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dn8 h LEU 118 CO -0.01 0.45 0.00 -1.14 0.09 0.00 0.00 178.44 177.83 3dn8 n ARG 119 N -4.70 0.00 0.00 1.13 0.63 -0.77 -1.06 116.66 111.89 3dn8 n ARG 119 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3dn8 n ARG 119 Cb 0.17 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.08 3dn8 n ARG 119 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3dn8 n LEU 121 N 0.50 0.00 0.11 6.15 4.77 -0.19 -1.87 117.00 126.47 3dn8 n LEU 121 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3dn8 n LEU 121 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 3dn8 n LEU 121 CO 0.00 0.00 0.88 -0.61 -1.33 0.00 0.00 177.39 176.33 3dn8 h GLN 122 N 0.00 0.26 0.00 3.23 4.15 -1.37 -1.91 115.11 119.48 3dn8 h GLN 122 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3dn8 h GLN 122 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3dn8 h GLN 122 CO 0.00 0.41 0.00 1.04 -1.93 0.00 0.00 178.83 178.35 3dn8 n GLN 123 N -4.26 0.17 -2.90 1.69 6.02 -0.78 -4.91 117.38 112.41 3dn8 n GLN 123 Ca -0.01 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.80 3dn8 n GLN 123 Cb 0.28 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.07 3dn8 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dn8 n LYS 124 N -1.41 -4.30 -2.89 -1.09 5.02 -0.72 -4.92 118.16 107.85 3dn8 n LYS 124 Ca 0.09 0.94 -0.44 0.00 -2.02 0.00 0.00 58.31 56.88 3dn8 n LYS 124 Cb 0.27 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.51 3dn8 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dn8 n ARG 125 N -3.85 3.56 -0.10 1.97 1.74 -1.26 -4.88 116.66 113.85 3dn8 n ARG 125 Ca -0.14 -3.96 -0.10 0.00 -0.77 0.00 0.00 57.85 52.87 3dn8 n ARG 125 Cb 0.63 -2.87 -0.03 0.00 -1.02 0.00 0.00 32.46 29.17 3dn8 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dn8 h TRP 126 N 6.57 0.48 -0.53 -1.55 -0.00 -1.90 0.96 115.95 119.99 3dn8 h TRP 126 Ca 0.30 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 59.07 3dn8 h TRP 126 Cb 0.79 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.80 3dn8 h TRP 126 CO 1.06 0.52 0.08 -0.44 -0.00 0.00 0.00 178.44 179.65 3dn8 h ASP 127 N 0.31 0.84 -0.42 -3.49 5.19 -1.90 -0.77 116.42 116.19 3dn8 h ASP 127 Ca 0.09 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 3dn8 h ASP 127 Cb 0.27 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3dn8 h ASP 127 CO -0.00 0.89 0.13 -0.33 -3.12 0.00 0.00 179.24 176.82 3dn8 h GLU 128 N 0.76 0.65 -0.58 3.56 5.08 -1.92 -1.67 114.58 120.46 3dn8 h GLU 128 Ca 0.16 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3dn8 h GLU 128 Cb 0.41 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3dn8 h GLU 128 CO 0.01 0.63 0.35 0.00 -1.00 0.00 0.00 179.01 179.01 3dn8 h ALA 129 N 0.98 0.75 -0.33 3.43 0.00 -0.71 -1.04 119.26 122.34 3dn8 h ALA 129 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dn8 h ALA 129 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dn8 h ALA 129 CO -0.00 0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.52 3dn8 h ALA 130 N 1.25 0.41 -0.47 0.00 0.00 -0.87 0.11 119.26 119.69 3dn8 h ALA 130 Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dn8 h ALA 130 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dn8 h ALA 130 CO -0.09 -0.17 0.31 0.28 0.00 0.00 0.00 179.25 179.57 3dn8 h VAL 131 N 0.39 1.11 -0.62 0.00 2.07 -1.08 -2.86 116.25 115.26 3dn8 h VAL 131 Ca 0.13 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3dn8 h VAL 131 Cb 0.00 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3dn8 h VAL 131 CO -0.06 0.12 0.04 -1.13 0.02 0.00 0.00 177.57 176.55 3dn8 h ASN 132 N 0.63 1.03 -0.37 0.57 -0.73 -0.72 -2.87 115.58 113.12 3dn8 h ASN 132 Ca 0.18 -0.27 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 3dn8 h ASN 132 Cb -0.06 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.23 3dn8 h ASN 132 CO -0.04 1.05 0.23 -0.07 -0.37 0.00 0.00 177.43 178.23 3dn8 h LEU 133 N 0.98 0.45 -0.54 0.34 3.38 -0.64 -2.27 115.31 117.01 3dn8 h LEU 133 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dn8 h LEU 133 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dn8 h LEU 133 CO 0.02 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3dn8 h ALA 134 N 1.73 1.00 -0.49 1.53 0.00 -1.28 -3.35 119.26 118.39 3dn8 h ALA 134 Ca 0.14 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.32 3dn8 h ALA 134 Cb -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 3dn8 h ALA 134 CO -0.03 0.00 2.59 1.63 0.00 0.00 0.00 179.25 183.44 3dn8 n LYS 135 N -2.58 3.43 -3.61 0.00 5.02 -0.85 -4.67 118.16 114.90 3dn8 n LYS 135 Ca 0.03 -3.10 -0.14 0.00 -2.02 0.00 0.00 58.31 53.08 3dn8 n LYS 135 Cb 0.36 -3.02 -0.06 0.00 -0.02 0.00 0.00 35.03 32.28 3dn8 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dn8 s SER 136 N 1.74 -0.41 0.24 4.39 1.04 -1.26 -5.02 113.70 114.43 3dn8 s SER 136 Ca 0.45 0.22 -0.05 0.00 0.48 0.00 0.00 55.95 57.05 3dn8 s SER 136 Cb 0.13 0.46 0.36 0.00 0.10 0.00 0.00 66.02 67.07 3dn8 s SER 136 CO -0.04 -0.65 1.83 -0.09 0.98 0.00 0.00 173.24 175.26 3dn8 h ARG 137 N 3.03 0.83 -0.39 4.02 2.43 -1.93 -2.51 114.38 119.87 3dn8 h ARG 137 Ca -0.30 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.90 3dn8 h ARG 137 Cb 1.19 -0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.47 3dn8 h ARG 137 CO 0.41 0.55 -0.35 2.35 -1.51 0.00 0.00 179.97 181.42 3dn8 h TRP 138 N 0.85 -0.97 -0.53 2.20 7.01 -1.95 0.71 115.95 123.28 3dn8 h TRP 138 Ca 0.38 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.44 3dn8 h TRP 138 Cb 0.28 0.48 -0.03 0.00 -2.10 0.00 0.00 29.16 27.80 3dn8 h TRP 138 CO -0.05 -0.40 0.32 -0.92 -2.79 0.00 0.00 178.44 174.60 3dn8 h TYR 139 N -0.28 0.71 -0.21 2.65 3.20 -1.77 -0.97 116.97 120.31 3dn8 h TYR 139 Ca 0.16 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3dn8 h TYR 139 Cb 0.55 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3dn8 h TYR 139 CO -0.55 0.49 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.27 3dn8 h ASN 140 N 0.71 0.41 0.37 -2.11 4.21 -0.93 -1.58 115.58 116.66 3dn8 h ASN 140 Ca 0.19 -0.14 -0.32 0.00 1.21 0.00 0.00 56.30 57.24 3dn8 h ASN 140 Cb -0.00 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 3dn8 h ASN 140 CO -0.03 0.69 -1.60 1.56 -1.29 0.00 0.00 177.43 176.75 3dn8 h GLN 141 N 0.36 0.30 -2.12 0.81 1.08 -0.72 -3.39 115.11 111.42 3dn8 h GLN 141 Ca 0.05 -0.51 -0.59 0.00 -1.45 0.00 0.00 58.65 56.16 3dn8 h GLN 141 Cb 0.69 0.19 -0.41 0.00 -0.05 0.00 0.00 27.48 27.90 3dn8 h GLN 141 CO 0.05 1.17 -0.79 0.25 -0.95 0.00 0.00 178.83 178.57 3dn8 n THR 142 N -3.49 1.21 -0.22 -0.54 -2.24 -0.38 -4.98 114.28 103.63 3dn8 n THR 142 Ca -0.19 -4.77 -0.08 0.00 -2.27 0.00 0.00 64.05 56.74 3dn8 n THR 142 Cb 1.06 -2.05 0.03 0.00 -2.10 0.00 0.00 70.33 67.27 3dn8 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dn8 h PRO 143 N 4.12 1.04 -0.29 -0.78 0.13 -1.50 -0.93 132.00 133.79 3dn8 h PRO 143 Ca 0.15 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3dn8 h PRO 143 Cb 0.74 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3dn8 h PRO 143 CO 0.70 0.97 0.16 -0.91 -0.23 0.00 0.00 178.00 178.68 3dn8 h ASN 144 N 0.95 0.37 -0.27 1.44 4.21 -1.94 0.14 115.58 120.47 3dn8 h ASN 144 Ca 0.19 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.55 3dn8 h ASN 144 Cb 0.43 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3dn8 h ASN 144 CO 0.01 0.35 -0.06 -0.09 -1.29 0.00 0.00 177.43 176.36 3dn8 h ARG 145 N 0.36 0.52 -0.74 0.81 2.43 -1.95 -2.52 114.38 113.29 3dn8 h ARG 145 Ca 0.10 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3dn8 h ARG 145 Cb 0.07 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 3dn8 h ARG 145 CO -0.02 0.72 0.46 0.00 -1.51 0.00 0.00 179.97 179.63 3dn8 h ALA 146 N 0.78 0.97 -0.71 2.80 0.00 -1.02 -1.04 119.26 121.03 3dn8 h ALA 146 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dn8 h ALA 146 Cb 0.53 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3dn8 h ALA 146 CO 0.03 0.24 0.43 0.87 0.00 0.00 0.00 179.25 180.82 3dn8 h LYS 147 N 0.90 0.78 -0.16 0.00 1.57 -0.65 0.25 116.57 119.26 3dn8 h LYS 147 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3dn8 h LYS 147 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3dn8 h LYS 147 CO -0.12 0.52 0.08 0.00 -0.57 0.00 0.00 179.45 179.36 3dn8 h ARG 148 N 0.81 0.23 -0.43 3.15 3.08 -0.92 -0.45 114.38 119.85 3dn8 h ARG 148 Ca 0.30 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 3dn8 h ARG 148 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3dn8 h ARG 148 CO -0.15 0.26 0.13 0.28 -1.07 0.00 0.00 179.97 179.42 3dn8 h VAL 149 N 0.14 1.22 -0.60 2.04 2.07 -0.90 -2.07 116.25 118.17 3dn8 h VAL 149 Ca 0.06 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3dn8 h VAL 149 Cb 0.10 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3dn8 h VAL 149 CO -0.01 0.26 0.27 0.40 0.02 0.00 0.00 177.57 178.52 3dn8 h ILE 150 N 0.55 1.22 -0.74 4.57 2.04 -0.41 -1.44 117.51 123.30 3dn8 h ILE 150 Ca 0.14 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3dn8 h ILE 150 Cb 0.28 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3dn8 h ILE 150 CO -0.00 0.25 0.49 0.74 0.00 0.00 0.00 178.15 179.63 3dn8 h THR 151 N 0.82 1.18 -0.59 -0.27 2.02 -0.94 0.28 112.91 115.42 3dn8 h THR 151 Ca 0.20 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3dn8 h THR 151 Cb 0.15 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3dn8 h THR 151 CO -0.02 0.18 0.20 0.74 0.37 0.00 0.00 175.52 176.99 3dn8 h THR 152 N 0.99 1.24 -0.30 3.16 2.02 -0.88 -0.66 112.91 118.48 3dn8 h THR 152 Ca 0.27 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 3dn8 h THR 152 Cb -0.10 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3dn8 h THR 152 CO -0.06 0.30 -0.24 -0.26 0.37 0.00 0.00 175.52 175.62 3dn8 h PHE 153 N 0.83 0.67 -0.32 3.16 0.04 -0.35 -0.50 116.94 120.46 3dn8 h PHE 153 Ca 0.19 -0.15 -0.15 0.00 2.80 0.00 0.00 57.97 60.67 3dn8 h PHE 153 Cb 0.26 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3dn8 h PHE 153 CO 0.02 0.78 -0.36 -0.09 -0.60 0.00 0.00 178.31 178.06 3dn8 h ARG 154 N 0.52 0.82 0.00 1.51 2.43 -0.13 -3.37 114.38 116.15 3dn8 h ARG 154 Ca 0.07 -0.45 -0.15 0.00 -0.81 0.00 0.00 59.98 58.65 3dn8 h ARG 154 Cb 0.70 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3dn8 h ARG 154 CO 0.05 1.08 -1.90 0.25 -1.51 0.00 0.00 179.97 177.94 3dn8 n THR 155 N -4.15 0.55 -1.85 0.20 -2.24 -0.28 -4.75 114.28 101.75 3dn8 n THR 155 Ca -0.03 -0.52 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 3dn8 n THR 155 Cb 0.53 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3dn8 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dn8 n GLY 156 N 1.83 0.62 3.53 3.38 0.00 -0.20 -5.01 105.19 109.34 3dn8 n GLY 156 Ca -0.14 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3dn8 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dn8 s THR 157 N -2.63 1.73 -0.90 2.61 -4.23 -1.26 -4.82 115.64 106.13 3dn8 s THR 157 Ca 0.00 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.59 3dn8 s THR 157 Cb 0.00 -2.82 0.56 0.00 1.34 0.00 0.00 72.50 71.58 3dn8 s THR 157 CO 0.00 -0.06 1.40 0.79 -0.54 0.00 0.00 174.62 176.21 3dn8 n TRP 158 N -0.81 1.28 -0.21 3.99 7.02 -1.26 -4.50 117.44 122.95 3dn8 n TRP 158 Ca -0.04 -0.48 0.16 0.00 -1.02 0.00 0.00 57.50 56.12 3dn8 n TRP 158 Cb 0.66 -0.28 0.49 0.00 -2.42 0.00 0.00 31.31 29.75 3dn8 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dn8 h ASP 159 N 2.96 0.44 0.74 -0.99 5.19 -1.96 -0.26 116.42 122.54 3dn8 h ASP 159 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3dn8 h ASP 159 Cb 1.33 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3dn8 h ASP 159 CO 0.25 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.58 3dn8 n ALA 160 N -2.51 1.77 -0.07 3.45 0.00 -1.26 -2.91 120.51 118.98 3dn8 n ALA 160 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.67 3dn8 n ALA 160 Cb 0.58 -1.35 0.12 0.00 0.00 0.00 0.00 19.45 18.80 3dn8 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dn8 n TYR 161 N -1.93 0.34 1.30 0.00 4.02 -0.11 -4.94 117.16 115.83 3dn8 n TYR 161 Ca 0.03 -0.43 0.10 0.00 -0.01 0.00 0.00 57.90 57.60 3dn8 n TYR 161 Cb 0.24 -0.03 0.62 0.00 -0.02 0.00 0.00 39.34 40.15 3dn8 n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02