#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn3 s ASN 2 N 0.00 0.01 0.37 6.12 2.20 -1.26 -5.03 114.94 117.35 3dn3 s ASN 2 Ca 0.00 -1.11 0.06 0.00 -0.94 0.00 0.00 52.86 50.86 3dn3 s ASN 2 Cb 0.00 0.84 0.75 0.00 -2.00 0.00 0.00 41.25 40.83 3dn3 s ASN 2 CO 0.00 -1.65 1.98 -0.29 -2.94 0.00 0.00 177.10 174.19 3dn3 h ILE 3 N 2.00 1.05 0.03 0.54 6.09 -1.96 0.41 117.51 125.67 3dn3 h ILE 3 Ca -0.31 -0.25 -0.00 0.00 -1.37 0.00 0.00 64.86 62.92 3dn3 h ILE 3 Cb 1.25 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.78 3dn3 h ILE 3 CO 0.39 0.14 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.33 3dn3 h PHE 4 N 0.74 -0.03 -0.43 2.19 0.04 -1.99 -0.91 116.94 116.56 3dn3 h PHE 4 Ca 0.29 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 3dn3 h PHE 4 Cb 0.19 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3dn3 h PHE 4 CO -0.00 0.31 0.06 0.93 -0.60 0.00 0.00 178.31 179.01 3dn3 h GLU 5 N -0.38 0.66 0.10 1.51 5.08 -1.87 -0.85 114.58 118.83 3dn3 h GLU 5 Ca -0.00 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3dn3 h GLU 5 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3dn3 h GLU 5 CO 0.01 0.64 -0.05 1.98 -1.00 0.00 0.00 179.01 180.59 3dn3 h MET 6 N 0.63 -0.12 -0.12 2.33 4.05 -0.85 -1.94 114.93 118.90 3dn3 h MET 6 Ca 0.14 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.47 3dn3 h MET 6 Cb 0.31 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3dn3 h MET 6 CO 0.00 0.19 -0.36 -0.07 0.23 0.00 0.00 176.91 176.91 3dn3 h LEU 7 N -0.45 0.26 -0.82 3.39 3.38 -1.10 -1.98 115.31 118.00 3dn3 h LEU 7 Ca -0.01 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dn3 h LEU 7 Cb 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3dn3 h LEU 7 CO 0.02 0.61 0.53 -0.09 0.09 0.00 0.00 178.44 179.61 3dn3 h ARG 8 N 0.22 1.03 -0.15 1.13 9.65 -1.07 0.23 114.38 125.42 3dn3 h ARG 8 Ca 0.03 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3dn3 h ARG 8 Cb 0.74 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3dn3 h ARG 8 CO 0.06 0.68 0.04 0.82 2.80 0.00 0.00 179.97 184.36 3dn3 h ILE 9 N 1.06 1.20 -0.07 1.20 2.04 -1.04 -1.12 117.51 120.78 3dn3 h ILE 9 Ca 0.32 -0.63 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 3dn3 h ILE 9 Cb -0.04 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3dn3 h ILE 9 CO -0.10 0.19 -0.54 0.44 0.00 0.00 0.00 178.15 178.15 3dn3 h ASP 10 N 0.04 0.21 0.00 1.72 3.32 -1.03 -3.31 116.42 117.36 3dn3 h ASP 10 Ca 0.05 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3dn3 h ASP 10 Cb 0.26 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3dn3 h ASP 10 CO 0.00 0.71 -2.03 -0.62 -1.72 0.00 0.00 179.24 175.58 3dn3 n GLU 11 N -3.92 0.67 -0.19 3.56 -0.58 0.78 -5.08 120.64 115.87 3dn3 n GLU 11 Ca -0.02 -0.16 0.03 0.00 -0.42 0.00 0.00 57.16 56.59 3dn3 n GLU 11 Cb 0.56 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 3dn3 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn3 n GLY 12 N 1.40 -1.74 2.72 0.62 0.00 -0.43 -4.31 105.19 103.45 3dn3 n GLY 12 Ca -0.09 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 3dn3 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dn3 s LEU 13 N 0.00 0.37 -0.04 0.99 2.96 -1.26 -4.25 118.68 117.45 3dn3 s LEU 13 Ca 0.00 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3dn3 s LEU 13 Cb 0.00 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.42 3dn3 s LEU 13 CO 0.00 -0.22 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.62 3dn3 s ARG 14 N 2.07 0.85 0.00 1.98 0.52 -0.81 -5.01 118.95 118.55 3dn3 s ARG 14 Ca 0.05 -0.15 0.25 0.00 -0.52 0.00 0.00 55.73 55.36 3dn3 s ARG 14 Cb -0.12 -0.83 0.47 0.00 0.52 0.00 0.00 34.95 34.99 3dn3 s ARG 14 CO -0.04 -0.03 1.40 1.28 0.02 0.00 0.00 175.30 177.92 3dn3 n LEU 15 N 3.84 1.87 -4.42 2.53 4.77 -1.26 0.04 117.00 124.37 3dn3 n LEU 15 Ca -0.24 -0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 54.83 3dn3 n LEU 15 Cb 0.52 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 3dn3 n LEU 15 CO 0.24 0.33 -0.55 -0.54 -1.33 0.00 0.00 177.39 175.54 3dn3 s LYS 16 N -2.27 1.50 0.04 3.23 1.02 -1.26 -1.30 119.74 120.71 3dn3 s LYS 16 Ca 0.26 -1.35 -0.35 0.00 0.02 0.00 0.00 55.97 54.56 3dn3 s LYS 16 Cb 0.19 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.43 3dn3 s LYS 16 CO 0.44 0.45 1.62 -0.89 -0.92 0.00 0.00 175.35 176.05 3dn3 n ILE 17 N 0.76 0.17 -4.28 2.17 5.41 -0.89 -4.73 119.36 117.97 3dn3 n ILE 17 Ca -0.16 -0.03 -0.15 0.00 1.00 0.00 0.00 62.75 63.41 3dn3 n ILE 17 Cb 0.53 -1.43 -0.10 0.00 -0.71 0.00 0.00 39.64 37.93 3dn3 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dn3 s TYR 18 N 1.84 1.37 -0.13 1.39 1.13 -0.09 -4.95 117.35 117.90 3dn3 s TYR 18 Ca 0.85 -1.10 -0.13 0.00 -1.41 0.00 0.00 57.07 55.27 3dn3 s TYR 18 Cb -0.78 -0.79 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 3dn3 s TYR 18 CO 0.46 -0.28 0.30 0.15 -2.51 0.00 0.00 175.55 173.67 3dn3 s LYS 19 N -3.98 4.13 0.10 -3.49 1.02 -1.26 0.27 119.74 116.52 3dn3 s LYS 19 Ca 0.31 0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.41 3dn3 s LYS 19 Cb 0.07 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3dn3 s LYS 19 CO 0.09 0.35 0.11 -0.40 -0.92 0.00 0.00 175.35 174.58 3dn3 n ASP 20 N 3.17 -0.59 0.27 2.83 5.68 0.44 -4.79 116.55 123.57 3dn3 n ASP 20 Ca -0.13 -0.78 0.13 0.00 -0.50 0.00 0.00 54.79 53.51 3dn3 n ASP 20 Cb 0.52 -0.09 0.79 0.00 -1.14 0.00 0.00 41.12 41.20 3dn3 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dn3 h THR 21 N -1.36 0.62 -0.02 2.12 1.35 -1.99 -1.08 112.91 112.56 3dn3 h THR 21 Ca -0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3dn3 h THR 21 Cb 0.11 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3dn3 h THR 21 CO 0.03 0.07 -0.01 -0.62 -0.25 0.00 0.00 175.52 174.73 3dn3 n GLU 22 N -3.84 1.87 -0.58 4.72 -0.58 -1.26 -4.94 120.64 116.03 3dn3 n GLU 22 Ca -0.02 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 3dn3 n GLU 22 Cb 0.16 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3dn3 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn3 n GLY 23 N 1.24 0.67 3.86 0.62 0.00 -0.41 -5.07 105.19 106.10 3dn3 n GLY 23 Ca 0.17 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3dn3 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn3 s TYR 24 N -2.00 3.60 0.21 1.61 2.02 -1.26 -4.70 117.35 116.83 3dn3 s TYR 24 Ca 0.00 0.58 -0.32 0.00 -0.37 0.00 0.00 57.07 56.96 3dn3 s TYR 24 Cb 0.00 -2.01 -0.12 0.00 -0.40 0.00 0.00 41.96 39.42 3dn3 s TYR 24 CO 0.00 0.68 1.67 0.66 -1.57 0.00 0.00 175.55 176.99 3dn3 n TYR 25 N 2.12 2.65 -3.81 2.71 4.01 -1.22 -0.42 117.16 123.19 3dn3 n TYR 25 Ca -0.19 0.13 -0.09 0.00 -0.16 0.00 0.00 57.90 57.59 3dn3 n TYR 25 Cb 0.54 -2.63 -0.07 0.00 -0.31 0.00 0.00 39.34 36.87 3dn3 n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dn3 s THR 26 N 0.92 0.13 0.18 -0.72 2.01 0.14 -1.03 115.64 117.26 3dn3 s THR 26 Ca 0.74 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 3dn3 s THR 26 Cb -0.54 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 3dn3 s THR 26 CO 0.36 -0.58 0.33 -0.51 -0.69 0.00 0.00 174.62 173.53 3dn3 s ILE 27 N -3.78 0.05 0.00 1.82 2.07 -0.61 -0.91 121.20 119.84 3dn3 s ILE 27 Ca 0.04 -1.33 0.00 0.00 -1.41 0.00 0.00 60.65 57.95 3dn3 s ILE 27 Cb 0.04 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.78 3dn3 s ILE 27 CO -0.11 -0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.29 3dn3 n GLY 28 N -0.25 2.22 3.22 1.50 0.00 0.11 -1.15 105.19 110.84 3dn3 n GLY 28 Ca -0.07 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 3dn3 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dn3 n ILE 29 N 0.00 4.82 -3.06 -0.61 5.41 -1.26 -1.92 119.36 122.74 3dn3 n ILE 29 Ca 0.00 -5.53 -0.22 0.00 1.00 0.00 0.00 62.75 58.00 3dn3 n ILE 29 Cb 0.00 -2.41 0.02 0.00 -0.71 0.00 0.00 39.64 36.55 3dn3 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dn3 n GLY 30 N 2.27 -0.51 3.54 7.39 0.00 -1.24 -4.89 105.19 111.75 3dn3 n GLY 30 Ca 0.26 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3dn3 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dn3 s HIS 31 N -3.10 2.44 0.12 1.61 5.04 -0.30 -4.93 115.29 116.17 3dn3 s HIS 31 Ca 0.30 -0.01 -0.31 0.00 -1.54 0.00 0.00 55.06 53.51 3dn3 s HIS 31 Cb -0.14 -4.53 -0.10 0.00 0.04 0.00 0.00 32.58 27.85 3dn3 s HIS 31 CO 0.38 -1.87 1.68 -1.17 -2.34 0.00 0.00 174.74 171.42 3dn3 s LEU 32 N 5.24 4.38 -0.19 8.88 2.96 -1.26 -1.57 118.68 137.11 3dn3 s LEU 32 Ca 0.35 2.62 -0.17 0.00 -0.22 0.00 0.00 54.13 56.71 3dn3 s LEU 32 Cb -0.09 -3.57 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 3dn3 s LEU 32 CO 0.17 -0.91 0.22 0.18 -1.32 0.00 0.00 176.35 174.69 3dn3 n LEU 33 N 5.07 2.08 -3.57 -0.68 4.77 -0.20 -4.96 117.00 119.51 3dn3 n LEU 33 Ca 0.16 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 3dn3 n LEU 33 Cb 0.39 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 3dn3 n LEU 33 CO 0.63 0.45 0.83 0.28 -1.33 0.00 0.00 177.39 178.25 3dn3 s THR 34 N -2.42 0.00 -1.89 -5.08 -1.32 -1.21 -4.88 115.64 98.84 3dn3 s THR 34 Ca -0.28 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.47 3dn3 s THR 34 Cb 0.07 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.40 3dn3 s THR 34 CO 0.63 0.00 1.63 0.29 -2.21 0.00 0.00 174.62 174.97 3dn3 n LYS 35 N 0.32 0.98 -2.04 7.08 5.02 -1.26 -3.45 118.16 124.82 3dn3 n LYS 35 Ca -0.07 -0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 55.26 3dn3 n LYS 35 Cb 0.59 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3dn3 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dn3 s SER 36 N -2.40 6.68 0.00 4.39 0.15 -1.26 -4.92 113.70 116.34 3dn3 s SER 36 Ca 0.28 2.70 0.22 0.00 0.70 0.00 0.00 55.95 59.85 3dn3 s SER 36 Cb 0.20 -2.64 1.33 0.00 -1.71 0.00 0.00 66.02 63.20 3dn3 s SER 36 CO 0.48 -0.65 1.71 -0.81 1.20 0.00 0.00 173.24 175.17 3dn3 n PRO 37 N 1.57 0.72 -3.01 5.44 -0.04 -1.26 -4.70 135.00 133.71 3dn3 n PRO 37 Ca 0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 3dn3 n PRO 37 Cb 0.41 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 3dn3 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dn3 s SER 38 N -1.98 6.57 0.31 3.54 0.15 -1.26 -4.94 113.70 116.10 3dn3 s SER 38 Ca 0.33 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 3dn3 s SER 38 Cb 0.15 -2.38 0.50 0.00 -1.71 0.00 0.00 66.02 62.59 3dn3 s SER 38 CO 0.26 -0.59 1.98 0.25 1.20 0.00 0.00 173.24 176.33 3dn3 h LEU 39 N 9.41 0.89 -0.80 3.45 5.85 -2.00 -2.04 115.31 130.07 3dn3 h LEU 39 Ca -0.25 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3dn3 h LEU 39 Cb 1.10 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3dn3 h LEU 39 CO 0.86 0.64 0.46 0.78 -0.34 0.00 0.00 178.44 180.84 3dn3 h ASN 40 N 1.05 0.98 -0.86 1.25 2.35 -1.98 0.63 115.58 118.99 3dn3 h ASN 40 Ca 0.29 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3dn3 h ASN 40 Cb -0.11 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 37.97 3dn3 h ASN 40 CO -0.06 0.77 0.46 0.00 -1.65 0.00 0.00 177.43 176.95 3dn3 h ALA 41 N 1.24 1.11 -0.45 -0.83 0.00 -1.85 -1.43 119.26 117.05 3dn3 h ALA 41 Ca 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3dn3 h ALA 41 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3dn3 h ALA 41 CO -0.05 0.63 0.04 0.00 0.00 0.00 0.00 179.25 179.87 3dn3 h ALA 42 N 1.25 0.60 -0.61 0.00 0.00 -0.81 -1.78 119.26 117.91 3dn3 h ALA 42 Ca 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dn3 h ALA 42 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dn3 h ALA 42 CO -0.05 0.36 0.23 0.87 0.00 0.00 0.00 179.25 180.67 3dn3 h LYS 43 N 0.63 0.90 -0.51 0.00 1.57 -0.70 -1.18 116.57 117.28 3dn3 h LYS 43 Ca 0.13 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3dn3 h LYS 43 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3dn3 h LYS 43 CO 0.02 0.75 0.18 1.03 -0.57 0.00 0.00 179.45 180.85 3dn3 h SER 44 N 0.88 0.72 -0.86 0.86 0.87 -1.05 -1.14 113.55 113.83 3dn3 h SER 44 Ca 0.21 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3dn3 h SER 44 Cb 0.20 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3dn3 h SER 44 CO -0.02 0.71 0.42 -0.33 -0.53 0.00 0.00 176.83 177.08 3dn3 h GLU 45 N 0.68 1.23 0.00 2.24 4.39 -0.96 -1.56 114.58 120.60 3dn3 h GLU 45 Ca 0.17 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3dn3 h GLU 45 Cb 0.23 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3dn3 h GLU 45 CO -0.01 0.94 -0.00 1.25 -1.16 0.00 0.00 179.01 180.03 3dn3 h LEU 46 N 1.22 -0.00 -0.84 1.33 5.85 -1.02 -0.89 115.31 120.96 3dn3 h LEU 46 Ca 0.29 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3dn3 h LEU 46 Cb 0.11 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3dn3 h LEU 46 CO -0.04 0.11 0.51 0.44 -0.34 0.00 0.00 178.44 179.12 3dn3 h ASP 47 N -0.12 0.78 -0.51 1.25 3.32 -1.05 -0.53 116.42 119.56 3dn3 h ASP 47 Ca -0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3dn3 h ASP 47 Cb 0.12 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3dn3 h ASP 47 CO 0.00 0.49 0.19 0.50 -1.72 0.00 0.00 179.24 178.70 3dn3 h LYS 48 N 0.91 0.77 -0.52 3.56 3.64 -1.12 0.38 116.57 124.18 3dn3 h LYS 48 Ca 0.37 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3dn3 h LYS 48 Cb 0.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3dn3 h LYS 48 CO -0.19 0.69 -0.08 0.00 -2.27 0.00 0.00 179.45 177.60 3dn3 h ALA 49 N 1.04 0.88 0.00 5.00 0.00 -0.49 -3.27 119.26 122.43 3dn3 h ALA 49 Ca 0.17 -0.33 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 3dn3 h ALA 49 Cb 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3dn3 h ALA 49 CO -0.01 0.64 -1.65 0.82 0.00 0.00 0.00 179.25 179.05 3dn3 h ILE 50 N 0.85 0.92 0.00 0.00 1.08 -1.03 -3.49 117.51 115.83 3dn3 h ILE 50 Ca 0.14 -2.76 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 3dn3 h ILE 50 Cb 0.61 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 3dn3 h ILE 50 CO 0.04 0.53 0.00 0.61 -0.69 0.00 0.00 178.15 178.64 3dn3 n GLY 51 N 1.54 0.70 3.51 5.37 0.00 0.13 -5.06 105.19 111.38 3dn3 n GLY 51 Ca -0.16 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3dn3 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dn3 s ARG 52 N -1.48 1.37 -0.63 1.61 1.70 -1.09 -5.04 118.95 115.39 3dn3 s ARG 52 Ca 0.00 -0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 3dn3 s ARG 52 Cb 0.00 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 3dn3 s ARG 52 CO 0.00 -0.57 1.40 1.21 -1.08 0.00 0.00 175.30 176.26 3dn3 s ASN 53 N -2.91 6.06 0.02 -2.89 3.84 -1.26 -4.34 114.94 113.46 3dn3 s ASN 53 Ca 0.12 0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.38 3dn3 s ASN 53 Cb -0.00 -2.55 -0.17 0.00 -0.55 0.00 0.00 41.25 37.97 3dn3 s ASN 53 CO -0.01 -1.82 0.67 0.35 -2.79 0.00 0.00 177.10 173.50 3dn3 n THR 54 N 6.71 1.00 -2.41 -5.21 -2.24 -1.26 -4.98 114.28 105.88 3dn3 n THR 54 Ca 0.10 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 3dn3 n THR 54 Cb 0.49 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3dn3 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dn3 n ASN 55 N -2.76 -5.25 0.00 3.42 5.15 -1.26 -2.79 115.26 111.78 3dn3 n ASN 55 Ca -0.12 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 3dn3 n ASN 55 Cb 0.82 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.68 3dn3 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dn3 n GLY 56 N -0.95 0.68 3.05 8.20 0.00 -1.26 -5.04 105.19 109.87 3dn3 n GLY 56 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3dn3 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dn3 s VAL 57 N -2.20 1.00 0.29 1.61 1.01 -1.12 -2.10 120.40 118.90 3dn3 s VAL 57 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3dn3 s VAL 57 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 3dn3 s VAL 57 CO 0.00 0.30 0.05 0.27 0.00 0.00 0.00 175.10 175.72 3dn3 s ILE 58 N 0.15 1.04 0.54 2.22 -4.36 -0.42 -4.79 121.20 115.58 3dn3 s ILE 58 Ca -0.03 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.32 3dn3 s ILE 58 Cb -0.10 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.96 3dn3 s ILE 58 CO 0.01 -0.07 0.80 0.42 0.24 0.00 0.00 174.94 176.34 3dn3 s THR 59 N -3.41 3.48 0.23 8.37 -4.23 -1.26 -4.79 115.64 114.03 3dn3 s THR 59 Ca 0.35 -0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 3dn3 s THR 59 Cb 0.08 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.78 3dn3 s THR 59 CO 0.14 -0.29 1.86 0.50 -0.54 0.00 0.00 174.62 176.28 3dn3 h LYS 60 N 0.04 0.94 -0.45 3.99 3.64 -1.99 -0.89 116.57 121.85 3dn3 h LYS 60 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dn3 h LYS 60 Cb 1.27 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3dn3 h LYS 60 CO 0.58 0.62 0.29 -0.44 -2.27 0.00 0.00 179.45 178.23 3dn3 h ASP 61 N 0.97 0.53 -0.60 4.20 3.32 -1.99 -0.10 116.42 122.75 3dn3 h ASP 61 Ca 0.35 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3dn3 h ASP 61 Cb 0.11 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3dn3 h ASP 61 CO -0.15 0.41 0.13 -0.33 -1.72 0.00 0.00 179.24 177.58 3dn3 h GLU 62 N 0.61 0.97 -0.61 3.56 5.08 -1.89 -0.20 114.58 122.10 3dn3 h GLU 62 Ca 0.16 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3dn3 h GLU 62 Cb -0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3dn3 h GLU 62 CO -0.03 0.90 0.38 0.00 -1.00 0.00 0.00 179.01 179.26 3dn3 h ALA 63 N 1.03 0.79 -0.23 3.43 0.00 -0.84 -1.68 119.26 121.76 3dn3 h ALA 63 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dn3 h ALA 63 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dn3 h ALA 63 CO 0.00 0.14 -0.24 0.93 0.00 0.00 0.00 179.25 180.09 3dn3 h GLU 64 N 0.76 0.44 0.16 0.00 5.08 -0.72 -1.50 114.58 118.80 3dn3 h GLU 64 Ca 0.24 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dn3 h GLU 64 Cb -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dn3 h GLU 64 CO -0.09 0.65 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.28 3dn3 h LYS 65 N 0.39 -0.21 -0.93 2.33 3.64 -0.54 -1.02 116.57 120.23 3dn3 h LYS 65 Ca 0.06 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3dn3 h LYS 65 Cb 0.63 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 3dn3 h LYS 65 CO 0.05 -0.04 0.59 -0.07 -2.27 0.00 0.00 179.45 177.71 3dn3 h LEU 66 N -0.33 0.95 -0.07 5.20 3.38 -1.21 -2.25 115.31 120.98 3dn3 h LEU 66 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dn3 h LEU 66 Cb 0.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dn3 h LEU 66 CO 0.04 0.62 0.05 0.15 0.09 0.00 0.00 178.44 179.38 3dn3 h PHE 67 N 1.09 0.10 -0.73 1.13 3.57 -1.02 0.11 116.94 121.19 3dn3 h PHE 67 Ca 0.40 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.96 3dn3 h PHE 67 Cb 0.14 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 3dn3 h PHE 67 CO -0.02 0.10 0.42 -0.97 -2.23 0.00 0.00 178.31 175.61 3dn3 h ASN 68 N 0.07 0.63 -0.64 0.41 -0.73 -0.99 -0.25 115.58 114.09 3dn3 h ASN 68 Ca 0.03 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 3dn3 h ASN 68 Cb 0.03 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 3dn3 h ASN 68 CO -0.01 0.40 0.27 1.56 -0.37 0.00 0.00 177.43 179.29 3dn3 h GLN 69 N 0.77 0.94 -0.41 6.67 4.20 -0.93 -1.63 115.11 124.71 3dn3 h GLN 69 Ca 0.33 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 3dn3 h GLN 69 Cb 0.20 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3dn3 h GLN 69 CO -0.18 0.78 0.03 -0.44 -0.67 0.00 0.00 178.83 178.34 3dn3 h ASP 70 N 0.89 0.69 -0.13 1.46 3.32 -0.15 0.56 116.42 123.05 3dn3 h ASP 70 Ca 0.21 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3dn3 h ASP 70 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dn3 h ASP 70 CO -0.02 0.81 0.07 0.58 -1.72 0.00 0.00 179.24 178.96 3dn3 h VAL 71 N 0.55 1.12 -0.30 -1.35 2.07 -1.00 -0.47 116.25 116.87 3dn3 h VAL 71 Ca 0.12 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3dn3 h VAL 71 Cb 0.44 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3dn3 h VAL 71 CO 0.02 0.11 -0.04 -0.78 0.02 0.00 0.00 177.57 176.89 3dn3 h ASP 72 N 0.10 -0.21 -0.91 0.57 3.58 -1.17 -1.78 116.42 116.60 3dn3 h ASP 72 Ca 0.05 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.58 3dn3 h ASP 72 Cb 0.11 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3dn3 h ASP 72 CO -0.01 -0.07 0.59 0.00 -2.88 0.00 0.00 179.24 176.87 3dn3 h ALA 73 N 1.28 1.33 -0.12 -0.78 0.00 -0.71 -0.94 119.26 119.32 3dn3 h ALA 73 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dn3 h ALA 73 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dn3 h ALA 73 CO -0.28 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.64 3dn3 h ALA 74 N 1.41 0.16 -0.26 0.00 0.00 -0.45 -0.38 119.26 119.74 3dn3 h ALA 74 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dn3 h ALA 74 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dn3 h ALA 74 CO -0.07 -0.28 0.11 0.28 0.00 0.00 0.00 179.25 179.29 3dn3 h VAL 75 N 0.06 1.16 -0.95 0.00 2.07 -1.15 -2.21 116.25 115.24 3dn3 h VAL 75 Ca 0.04 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3dn3 h VAL 75 Cb 0.13 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3dn3 h VAL 75 CO -0.00 0.17 0.63 0.03 0.02 0.00 0.00 177.57 178.41 3dn3 h ARG 76 N 0.27 1.20 -0.66 1.57 3.08 -1.09 -1.98 114.38 116.77 3dn3 h ARG 76 Ca 0.09 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3dn3 h ARG 76 Cb 0.16 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3dn3 h ARG 76 CO -0.01 0.80 0.43 0.78 -1.07 0.00 0.00 179.97 180.90 3dn3 h GLY 77 N 1.24 0.93 0.83 0.04 0.00 -0.86 -2.08 103.07 103.16 3dn3 h GLY 77 Ca 0.36 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3dn3 h GLY 77 CO -0.10 0.32 0.03 -2.22 0.00 0.00 0.00 176.54 174.58 3dn3 h ILE 78 N 0.88 0.93 0.00 2.60 2.04 -0.75 -2.66 117.51 120.54 3dn3 h ILE 78 Ca 0.25 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 3dn3 h ILE 78 Cb -0.08 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3dn3 h ILE 78 CO -0.06 0.02 -0.16 -0.07 0.00 0.00 0.00 178.15 177.88 3dn3 h LEU 79 N 0.09 0.00 0.00 1.44 3.38 -1.19 -2.34 115.31 116.69 3dn3 h LEU 79 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dn3 h LEU 79 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dn3 h LEU 79 CO -0.09 0.16 -0.37 0.54 0.09 0.00 0.00 178.44 178.77 3dn3 n ARG 80 N -3.55 0.02 -3.43 1.13 1.74 -0.80 -4.78 116.66 107.00 3dn3 n ARG 80 Ca -0.01 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3dn3 n ARG 80 Cb 0.30 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 3dn3 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dn3 s ASN 81 N -3.11 6.53 0.34 0.55 3.84 -0.89 -4.99 114.94 117.21 3dn3 s ASN 81 Ca 0.11 0.62 0.12 0.00 0.21 0.00 0.00 52.86 53.92 3dn3 s ASN 81 Cb 0.18 -2.23 0.61 0.00 -0.55 0.00 0.00 41.25 39.26 3dn3 s ASN 81 CO 0.65 0.03 1.77 0.00 -2.79 0.00 0.00 177.10 176.76 3dn3 h ALA 82 N 6.83 1.27 0.00 1.71 0.00 -1.88 -1.19 119.26 126.00 3dn3 h ALA 82 Ca -0.40 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3dn3 h ALA 82 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dn3 h ALA 82 CO 0.75 0.55 -0.54 1.63 0.00 0.00 0.00 179.25 181.64 3dn3 n LYS 83 N -4.02 0.20 -0.10 0.00 5.02 -1.26 -4.35 118.16 113.64 3dn3 n LYS 83 Ca -0.02 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 3dn3 n LYS 83 Cb 0.46 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 3dn3 n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dn3 n LEU 84 N -1.92 2.85 -0.15 -0.35 4.77 -1.12 -4.62 117.00 116.46 3dn3 n LEU 84 Ca 0.04 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3dn3 n LEU 84 Cb 0.41 -0.67 0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3dn3 n LEU 84 CO 0.35 0.79 0.74 0.50 -1.33 0.00 0.00 177.39 178.45 3dn3 h LYS 85 N -0.07 -0.05 -0.46 3.23 3.64 -1.11 -1.15 116.57 120.60 3dn3 h LYS 85 Ca -0.44 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 3dn3 h LYS 85 Cb 1.65 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 3dn3 h LYS 85 CO -0.09 -0.03 0.08 -1.35 -2.27 0.00 0.00 179.45 175.79 3dn3 h PRO 86 N -0.05 0.71 -0.19 1.90 0.11 -1.84 0.38 132.00 133.03 3dn3 h PRO 86 Ca 0.23 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3dn3 h PRO 86 Cb 0.40 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3dn3 h PRO 86 CO -0.52 0.67 -0.07 0.28 -0.21 0.00 0.00 178.00 178.15 3dn3 h VAL 87 N 0.69 1.30 -0.25 3.15 2.07 -1.67 -2.17 116.25 119.37 3dn3 h VAL 87 Ca 0.15 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.62 3dn3 h VAL 87 Cb 0.31 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3dn3 h VAL 87 CO 0.00 0.33 0.03 0.22 0.02 0.00 0.00 177.57 178.17 3dn3 h TYR 88 N 0.07 0.05 0.00 1.57 3.20 -0.94 -2.24 116.97 118.69 3dn3 h TYR 88 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3dn3 h TYR 88 Cb 0.54 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3dn3 h TYR 88 CO 0.06 -0.00 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.05 3dn3 h ASP 89 N 0.12 0.00 1.25 -2.11 3.32 -0.91 -2.13 116.42 115.96 3dn3 h ASP 89 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dn3 h ASP 89 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dn3 h ASP 89 CO -0.17 0.08 0.00 0.77 -1.72 0.00 0.00 179.24 178.20 3dn3 h SER 90 N 0.00 0.00 -3.69 6.45 4.64 -0.76 -3.46 113.55 116.73 3dn3 h SER 90 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3dn3 h SER 90 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3dn3 h SER 90 CO 0.01 0.00 0.11 -0.76 -0.87 0.00 0.00 176.83 175.32 3dn3 s LEU 91 N -5.86 3.88 0.90 5.97 1.43 -0.80 -5.06 118.68 119.13 3dn3 s LEU 91 Ca 0.04 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3dn3 s LEU 91 Cb 0.08 -4.02 0.13 0.00 0.03 0.00 0.00 46.19 42.41 3dn3 s LEU 91 CO 0.56 -0.36 1.11 1.51 0.23 0.00 0.00 176.35 179.40 3dn3 s ASP 92 N -3.00 3.58 0.32 2.29 -4.77 -1.26 -4.82 116.67 109.01 3dn3 s ASP 92 Ca 0.52 1.18 0.01 0.00 -3.30 0.00 0.00 52.55 50.96 3dn3 s ASP 92 Cb -0.10 -1.84 0.54 0.00 -1.09 0.00 0.00 42.92 40.43 3dn3 s ASP 92 CO 0.29 -2.53 1.92 0.00 0.70 0.00 0.00 175.17 175.54 3dn3 h ALA 93 N -1.48 1.39 -0.04 2.11 0.00 -1.98 -0.46 119.26 118.80 3dn3 h ALA 93 Ca -0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3dn3 h ALA 93 Cb 1.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dn3 h ALA 93 CO 0.59 0.47 0.00 0.28 0.00 0.00 0.00 179.25 180.59 3dn3 h VAL 94 N 0.78 1.25 0.00 0.00 2.07 -1.94 -2.46 116.25 115.94 3dn3 h VAL 94 Ca 0.19 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3dn3 h VAL 94 Cb 0.12 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3dn3 h VAL 94 CO -0.02 0.20 -0.33 0.03 0.02 0.00 0.00 177.57 177.47 3dn3 h ARG 95 N -0.22 0.00 -0.87 1.57 3.08 -1.77 -2.20 114.38 113.96 3dn3 h ARG 95 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dn3 h ARG 95 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3dn3 h ARG 95 CO 0.00 0.33 0.56 0.00 -1.07 0.00 0.00 179.97 179.79 3dn3 h ARG 96 N 0.00 1.17 -0.71 0.04 3.08 -0.97 -1.55 114.38 115.44 3dn3 h ARG 96 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3dn3 h ARG 96 Cb 0.60 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3dn3 h ARG 96 CO 0.04 0.79 0.42 0.00 -1.07 0.00 0.00 179.97 180.15 3dn3 h ALA 97 N 1.42 0.90 -0.90 0.04 0.00 -0.92 -1.24 119.26 118.57 3dn3 h ALA 97 Ca 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dn3 h ALA 97 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 3dn3 h ALA 97 CO -0.06 0.39 0.59 0.00 0.00 0.00 0.00 179.25 180.16 3dn3 h ALA 98 N 1.22 1.33 -0.32 0.00 0.00 -1.18 -0.18 119.26 120.13 3dn3 h ALA 98 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dn3 h ALA 98 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3dn3 h ALA 98 CO -0.05 0.61 0.16 0.00 0.00 0.00 0.00 179.25 179.97 3dn3 h ALA 99 N 1.42 0.41 -0.66 0.00 0.00 -0.80 -2.58 119.26 117.05 3dn3 h ALA 99 Ca 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dn3 h ALA 99 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3dn3 h ALA 99 CO -0.07 -0.03 0.36 0.82 0.00 0.00 0.00 179.25 180.34 3dn3 h ILE 100 N 0.38 1.21 -0.29 0.00 2.04 -0.81 -2.10 117.51 117.95 3dn3 h ILE 100 Ca 0.11 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3dn3 h ILE 100 Cb 0.12 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 3dn3 h ILE 100 CO -0.01 0.23 -0.15 -1.13 0.00 0.00 0.00 178.15 177.08 3dn3 h ASN 101 N 0.91 -0.51 -0.27 1.72 -0.73 -0.90 0.14 115.58 115.93 3dn3 h ASN 101 Ca 0.23 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.52 3dn3 h ASN 101 Cb 0.04 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3dn3 h ASN 101 CO -0.04 -0.19 0.17 0.24 -0.37 0.00 0.00 177.43 177.24 3dn3 h MET 102 N -0.12 0.37 -0.51 6.67 2.86 -1.22 -1.86 114.93 121.11 3dn3 h MET 102 Ca 0.15 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3dn3 h MET 102 Cb 0.35 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3dn3 h MET 102 CO -0.36 0.27 0.30 0.28 1.06 0.00 0.00 176.91 178.46 3dn3 h VAL 103 N 0.36 1.04 -0.63 -2.22 2.07 -1.01 -0.80 116.25 115.06 3dn3 h VAL 103 Ca 0.10 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.53 3dn3 h VAL 103 Cb -0.01 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 3dn3 h VAL 103 CO -0.02 0.11 0.19 0.15 0.02 0.00 0.00 177.57 178.02 3dn3 h PHE 104 N 0.60 0.33 -0.01 1.57 3.04 -0.50 0.23 116.94 122.19 3dn3 h PHE 104 Ca 0.21 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.96 3dn3 h PHE 104 Cb 0.03 -0.05 0.02 0.00 2.56 0.00 0.00 35.95 38.51 3dn3 h PHE 104 CO -0.07 0.03 -0.90 0.37 -2.02 0.00 0.00 178.31 175.72 3dn3 h GLN 105 N 0.34 0.64 0.00 1.11 4.15 -0.66 -3.39 115.11 117.29 3dn3 h GLN 105 Ca 0.33 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3dn3 h GLN 105 Cb 0.47 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3dn3 h GLN 105 CO -0.37 1.26 -0.47 0.00 -1.93 0.00 0.00 178.83 177.32 3dn3 n MET 106 N -3.96 3.98 -0.66 1.69 0.00 -0.37 -5.09 117.12 112.71 3dn3 n MET 106 Ca -0.11 -0.01 0.09 0.00 0.00 0.00 0.00 57.70 57.68 3dn3 n MET 106 Cb 0.81 -0.77 -0.02 0.00 0.00 0.00 0.00 33.22 33.24 3dn3 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dn3 n GLY 107 N 1.54 -2.08 0.26 3.17 0.00 0.80 -2.32 105.19 106.56 3dn3 n GLY 107 Ca 0.00 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.83 3dn3 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dn3 h GLU 108 N 0.00 0.00 -0.33 1.61 5.08 -1.95 -0.83 114.58 118.15 3dn3 h GLU 108 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3dn3 h GLU 108 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3dn3 h GLU 108 CO 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 179.01 178.19 3dn3 h THR 109 N 0.00 1.15 0.00 1.13 1.03 -1.98 -2.43 112.91 111.80 3dn3 h THR 109 Ca 0.00 -0.39 -0.19 0.00 -0.01 0.00 0.00 66.41 65.82 3dn3 h THR 109 Cb 0.61 0.80 -0.02 0.00 -1.07 0.00 0.00 68.15 68.48 3dn3 h THR 109 CO 0.00 0.15 -0.85 1.23 -0.01 0.00 0.00 175.52 176.04 3dn3 h GLY 110 N 0.41 0.12 2.00 2.99 0.00 -1.03 -3.27 103.07 104.29 3dn3 h GLY 110 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3dn3 h GLY 110 CO -0.02 0.20 -0.48 -2.08 0.00 0.00 0.00 176.54 174.16 3dn3 h VAL 111 N 0.06 1.00 -1.02 4.60 2.07 -1.17 -3.29 116.25 118.50 3dn3 h VAL 111 Ca -0.03 -1.88 0.25 0.00 0.82 0.00 0.00 66.70 65.86 3dn3 h VAL 111 Cb 1.48 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 33.29 3dn3 h VAL 111 CO 0.12 0.47 0.65 0.00 0.02 0.00 0.00 177.57 178.83 3dn3 h ALA 112 N 1.52 2.19 0.00 1.67 0.00 -1.48 -0.50 119.26 122.66 3dn3 h ALA 112 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dn3 h ALA 112 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dn3 h ALA 112 CO 0.06 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.15 3dn3 n GLY 113 N -1.47 -1.21 1.56 0.00 0.00 -1.24 -3.77 105.19 99.07 3dn3 n GLY 113 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3dn3 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dn3 n PHE 114 N -1.57 1.61 -0.25 1.61 3.01 -0.20 -4.60 117.46 117.07 3dn3 n PHE 114 Ca 0.05 -0.61 0.04 0.00 1.01 0.00 0.00 57.45 57.93 3dn3 n PHE 114 Cb 0.24 -0.44 0.14 0.00 -0.01 0.00 0.00 39.48 39.41 3dn3 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dn3 h THR 115 N 2.78 0.35 -0.24 4.37 2.02 -1.76 -0.34 112.91 120.09 3dn3 h THR 115 Ca 0.04 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.05 3dn3 h THR 115 Cb 1.66 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3dn3 h THR 115 CO 0.40 0.02 -0.44 0.78 0.37 0.00 0.00 175.52 176.65 3dn3 h ASN 116 N 0.09 0.64 -0.27 4.18 2.35 -1.94 -2.11 115.58 118.53 3dn3 h ASN 116 Ca 0.39 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3dn3 h ASN 116 Cb 0.67 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3dn3 h ASN 116 CO -0.66 0.99 0.14 0.28 -1.65 0.00 0.00 177.43 176.53 3dn3 h SER 117 N 0.49 0.34 -0.85 5.81 0.02 -1.69 -2.66 113.55 115.01 3dn3 h SER 117 Ca 0.03 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3dn3 h SER 117 Cb 0.96 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 3dn3 h SER 117 CO 0.09 0.34 0.54 -0.07 -1.14 0.00 0.00 176.83 176.59 3dn3 h LEU 118 N 0.31 0.87 -0.41 5.07 3.38 -0.92 -0.16 115.31 123.45 3dn3 h LEU 118 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dn3 h LEU 118 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dn3 h LEU 118 CO -0.01 0.58 0.24 -0.09 0.09 0.00 0.00 178.44 179.24 3dn3 h ARG 119 N 1.01 0.56 -0.38 1.13 2.43 -1.29 -0.12 114.38 117.72 3dn3 h ARG 119 Ca 0.36 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3dn3 h ARG 119 Cb 0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3dn3 h ARG 119 CO -0.15 0.42 -0.11 0.52 -1.51 0.00 0.00 179.97 179.15 3dn3 h MET 120 N 0.54 0.67 -0.47 0.20 2.86 -1.05 -1.46 114.93 116.21 3dn3 h MET 120 Ca 0.15 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3dn3 h MET 120 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3dn3 h MET 120 CO -0.03 0.76 0.15 -0.07 1.06 0.00 0.00 176.91 178.78 3dn3 h LEU 121 N 0.61 0.68 -1.32 1.22 3.38 -0.73 -1.02 115.31 118.13 3dn3 h LEU 121 Ca 0.11 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3dn3 h LEU 121 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dn3 h LEU 121 CO 0.03 0.70 -0.18 -0.61 0.09 0.00 0.00 178.44 178.47 3dn3 h GLN 122 N 0.62 0.24 0.00 1.13 4.15 -0.75 -1.66 115.11 118.83 3dn3 h GLN 122 Ca 0.15 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3dn3 h GLN 122 Cb 0.26 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3dn3 h GLN 122 CO -0.01 0.42 0.00 1.04 -1.93 0.00 0.00 178.83 178.35 3dn3 n GLN 123 N -4.23 0.01 -3.03 1.69 6.02 -0.58 -4.92 117.38 112.36 3dn3 n GLN 123 Ca -0.01 0.10 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 3dn3 n GLN 123 Cb 0.31 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.10 3dn3 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dn3 n LYS 124 N -1.49 -4.90 -2.96 -1.09 5.02 -0.63 -4.93 118.16 107.18 3dn3 n LYS 124 Ca 0.06 0.83 -0.44 0.00 -2.02 0.00 0.00 58.31 56.74 3dn3 n LYS 124 Cb 0.27 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 3dn3 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dn3 n ARG 125 N -3.89 3.70 -0.16 1.97 1.74 -0.47 -4.88 116.66 114.67 3dn3 n ARG 125 Ca -0.09 -4.12 -0.08 0.00 -0.77 0.00 0.00 57.85 52.79 3dn3 n ARG 125 Cb 0.61 -2.76 0.01 0.00 -1.02 0.00 0.00 32.46 29.29 3dn3 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dn3 h TRP 126 N 6.37 0.68 -0.43 -1.55 -0.00 -1.89 0.18 115.95 119.31 3dn3 h TRP 126 Ca 0.27 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 59.02 3dn3 h TRP 126 Cb 0.77 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 3dn3 h TRP 126 CO 1.00 0.54 -0.12 -0.44 -0.00 0.00 0.00 178.44 179.43 3dn3 h ASP 127 N 0.62 0.85 -0.43 -3.49 5.19 -1.90 -0.36 116.42 116.91 3dn3 h ASP 127 Ca 0.16 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 3dn3 h ASP 127 Cb 0.12 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3dn3 h ASP 127 CO -0.02 1.03 0.12 -0.33 -3.12 0.00 0.00 179.24 176.91 3dn3 h GLU 128 N 0.67 0.68 -0.46 3.56 5.08 -1.89 -1.70 114.58 120.52 3dn3 h GLU 128 Ca 0.11 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3dn3 h GLU 128 Cb 0.66 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3dn3 h GLU 128 CO 0.05 0.68 0.25 0.00 -1.00 0.00 0.00 179.01 178.98 3dn3 h ALA 129 N 0.97 0.59 -0.55 3.43 0.00 -0.55 -0.71 119.26 122.44 3dn3 h ALA 129 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dn3 h ALA 129 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dn3 h ALA 129 CO -0.00 -0.09 0.35 0.00 0.00 0.00 0.00 179.25 179.51 3dn3 h ALA 130 N 1.23 0.70 -0.33 0.00 0.00 -0.86 0.52 119.26 120.53 3dn3 h ALA 130 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dn3 h ALA 130 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dn3 h ALA 130 CO -0.12 0.10 0.20 0.28 0.00 0.00 0.00 179.25 179.71 3dn3 h VAL 131 N 0.71 1.11 -0.71 0.00 2.07 -1.07 -2.99 116.25 115.36 3dn3 h VAL 131 Ca 0.21 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3dn3 h VAL 131 Cb -0.04 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3dn3 h VAL 131 CO -0.07 0.10 0.25 -1.13 0.02 0.00 0.00 177.57 176.75 3dn3 h ASN 132 N 0.43 1.01 -0.31 0.57 -0.73 -0.67 -2.91 115.58 112.96 3dn3 h ASN 132 Ca 0.12 -0.19 0.01 0.00 1.87 0.00 0.00 56.30 58.10 3dn3 h ASN 132 Cb -0.00 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 3dn3 h ASN 132 CO -0.02 0.93 0.21 -0.07 -0.37 0.00 0.00 177.43 178.10 3dn3 h LEU 133 N 1.03 0.34 -0.52 0.34 3.38 -0.84 -2.21 115.31 116.84 3dn3 h LEU 133 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dn3 h LEU 133 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3dn3 h LEU 133 CO -0.01 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3dn3 h ALA 134 N 1.81 1.00 -0.34 1.53 0.00 -1.37 -3.36 119.26 118.53 3dn3 h ALA 134 Ca 0.12 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.31 3dn3 h ALA 134 Cb -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3dn3 h ALA 134 CO -0.03 0.00 2.83 1.63 0.00 0.00 0.00 179.25 183.69 3dn3 n LYS 135 N -2.73 3.38 -3.63 0.00 5.02 -0.83 -4.66 118.16 114.71 3dn3 n LYS 135 Ca 0.03 -2.91 -0.15 0.00 -2.02 0.00 0.00 58.31 53.26 3dn3 n LYS 135 Cb 0.39 -3.04 -0.07 0.00 -0.02 0.00 0.00 35.03 32.29 3dn3 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dn3 s SER 136 N 2.04 -0.42 0.24 4.39 1.04 -1.26 -5.02 113.70 114.72 3dn3 s SER 136 Ca 0.49 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 3dn3 s SER 136 Cb 0.14 0.43 0.42 0.00 0.10 0.00 0.00 66.02 67.11 3dn3 s SER 136 CO -0.06 -0.56 1.78 -0.09 0.98 0.00 0.00 173.24 175.29 3dn3 h ARG 137 N 3.33 0.63 -0.31 4.02 2.43 -1.93 -2.26 114.38 120.29 3dn3 h ARG 137 Ca -0.29 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.91 3dn3 h ARG 137 Cb 1.17 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.49 3dn3 h ARG 137 CO 0.40 0.41 -0.30 2.35 -1.51 0.00 0.00 179.97 181.32 3dn3 h TRP 138 N 0.65 -0.82 -0.42 2.20 7.01 -1.94 0.12 115.95 122.74 3dn3 h TRP 138 Ca 0.40 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.45 3dn3 h TRP 138 Cb 0.48 0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 3dn3 h TRP 138 CO -0.10 -0.37 0.26 -0.92 -2.79 0.00 0.00 178.44 174.52 3dn3 h TYR 139 N -0.28 0.56 -0.48 2.65 3.20 -1.75 -0.97 116.97 119.90 3dn3 h TYR 139 Ca 0.15 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3dn3 h TYR 139 Cb 0.52 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3dn3 h TYR 139 CO -0.47 0.39 0.02 -0.91 -1.64 0.00 0.00 178.16 175.55 3dn3 h ASN 140 N 0.56 0.74 0.49 -2.11 4.21 -0.77 -1.24 115.58 117.45 3dn3 h ASN 140 Ca 0.15 -0.17 -0.30 0.00 1.21 0.00 0.00 56.30 57.19 3dn3 h ASN 140 Cb -0.00 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 3dn3 h ASN 140 CO -0.03 0.80 -1.50 1.56 -1.29 0.00 0.00 177.43 176.97 3dn3 h GLN 141 N 0.73 0.23 -2.11 0.81 1.08 -0.65 -3.39 115.11 111.81 3dn3 h GLN 141 Ca 0.15 -0.40 -0.58 0.00 -1.45 0.00 0.00 58.65 56.37 3dn3 h GLN 141 Cb 0.42 0.15 -0.41 0.00 -0.05 0.00 0.00 27.48 27.59 3dn3 h GLN 141 CO 0.02 1.09 -0.82 0.25 -0.95 0.00 0.00 178.83 178.42 3dn3 n THR 142 N -3.44 1.10 -0.23 -0.54 -2.24 -0.38 -4.98 114.28 103.56 3dn3 n THR 142 Ca -0.15 -4.74 -0.08 0.00 -2.27 0.00 0.00 64.05 56.81 3dn3 n THR 142 Cb 1.04 -1.94 0.05 0.00 -2.10 0.00 0.00 70.33 67.38 3dn3 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dn3 h PRO 143 N 4.00 1.11 -0.35 -0.78 0.13 -1.43 -0.48 132.00 134.19 3dn3 h PRO 143 Ca 0.14 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.92 3dn3 h PRO 143 Cb 0.75 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3dn3 h PRO 143 CO 0.68 1.01 0.00 -0.91 -0.23 0.00 0.00 178.00 178.55 3dn3 h ASN 144 N 1.04 0.61 -0.24 1.44 4.21 -1.94 0.14 115.58 120.83 3dn3 h ASN 144 Ca 0.20 -0.31 -0.03 0.00 1.21 0.00 0.00 56.30 57.37 3dn3 h ASN 144 Cb 0.44 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3dn3 h ASN 144 CO 0.01 0.77 0.02 -0.09 -1.29 0.00 0.00 177.43 176.85 3dn3 h ARG 145 N 0.44 0.42 -0.76 0.81 2.43 -1.95 -2.61 114.38 113.15 3dn3 h ARG 145 Ca 0.10 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3dn3 h ARG 145 Cb 0.45 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 3dn3 h ARG 145 CO 0.02 0.58 0.46 0.00 -1.51 0.00 0.00 179.97 179.52 3dn3 h ALA 146 N 0.83 1.02 -0.87 2.80 0.00 -0.94 -1.05 119.26 121.04 3dn3 h ALA 146 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dn3 h ALA 146 Cb 0.37 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3dn3 h ALA 146 CO 0.01 0.22 0.55 0.87 0.00 0.00 0.00 179.25 180.90 3dn3 h LYS 147 N 0.88 1.00 -0.26 0.00 1.57 -0.66 0.33 116.57 119.44 3dn3 h LYS 147 Ca 0.32 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3dn3 h LYS 147 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3dn3 h LYS 147 CO -0.15 0.66 0.09 0.00 -0.57 0.00 0.00 179.45 179.48 3dn3 h ARG 148 N 1.03 0.39 -0.39 3.15 3.08 -0.97 -0.65 114.38 120.03 3dn3 h ARG 148 Ca 0.37 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 3dn3 h ARG 148 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dn3 h ARG 148 CO -0.15 0.46 -0.02 0.28 -1.07 0.00 0.00 179.97 179.47 3dn3 h VAL 149 N 0.25 1.26 -0.57 2.04 2.07 -0.79 -2.21 116.25 118.31 3dn3 h VAL 149 Ca 0.08 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3dn3 h VAL 149 Cb 0.22 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3dn3 h VAL 149 CO -0.00 0.35 0.28 0.40 0.02 0.00 0.00 177.57 178.62 3dn3 h ILE 150 N 0.51 1.20 -0.92 4.57 2.04 -0.32 -1.72 117.51 122.87 3dn3 h ILE 150 Ca 0.11 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3dn3 h ILE 150 Cb 0.50 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3dn3 h ILE 150 CO 0.02 0.23 0.60 0.74 0.00 0.00 0.00 178.15 179.74 3dn3 h THR 151 N 0.77 1.12 -0.57 -0.27 2.02 -0.99 0.25 112.91 115.24 3dn3 h THR 151 Ca 0.20 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3dn3 h THR 151 Cb 0.10 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3dn3 h THR 151 CO -0.03 0.20 0.23 0.74 0.37 0.00 0.00 175.52 177.04 3dn3 h THR 152 N 1.12 1.22 -0.34 3.16 2.02 -0.89 -0.75 112.91 118.46 3dn3 h THR 152 Ca 0.38 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 3dn3 h THR 152 Cb 0.08 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3dn3 h THR 152 CO -0.13 0.26 -0.23 -0.26 0.37 0.00 0.00 175.52 175.54 3dn3 h PHE 153 N 0.78 0.75 -0.34 3.16 0.04 -0.66 -0.03 116.94 120.64 3dn3 h PHE 153 Ca 0.19 -0.16 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 3dn3 h PHE 153 Cb 0.19 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3dn3 h PHE 153 CO 0.01 0.83 -0.37 -0.09 -0.60 0.00 0.00 178.31 178.09 3dn3 h ARG 154 N 0.58 0.85 0.00 1.51 2.43 -0.17 -3.37 114.38 116.20 3dn3 h ARG 154 Ca 0.08 -0.46 -0.18 0.00 -0.81 0.00 0.00 59.98 58.62 3dn3 h ARG 154 Cb 0.70 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3dn3 h ARG 154 CO 0.05 1.10 -1.96 0.25 -1.51 0.00 0.00 179.97 177.90 3dn3 n THR 155 N -4.13 0.66 -1.93 0.20 -2.24 -0.32 -4.76 114.28 101.76 3dn3 n THR 155 Ca -0.03 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.04 3dn3 n THR 155 Cb 0.53 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 3dn3 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dn3 n GLY 156 N 1.84 0.48 3.57 3.38 0.00 -0.03 -5.02 105.19 109.42 3dn3 n GLY 156 Ca -0.17 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 3dn3 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dn3 s THR 157 N -2.66 1.86 -0.82 2.61 -4.23 -1.26 -4.83 115.64 106.32 3dn3 s THR 157 Ca 0.00 -2.03 0.13 0.00 -1.18 0.00 0.00 61.69 58.60 3dn3 s THR 157 Cb 0.00 -2.89 0.61 0.00 1.34 0.00 0.00 72.50 71.56 3dn3 s THR 157 CO 0.00 -0.04 1.46 0.79 -0.54 0.00 0.00 174.62 176.29 3dn3 n TRP 158 N -0.87 1.41 -0.28 3.99 7.02 -1.26 -4.49 117.44 122.95 3dn3 n TRP 158 Ca -0.05 -0.52 0.16 0.00 -1.02 0.00 0.00 57.50 56.08 3dn3 n TRP 158 Cb 0.66 -0.31 0.43 0.00 -2.42 0.00 0.00 31.31 29.67 3dn3 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dn3 h ASP 159 N 3.18 0.57 0.74 -0.99 3.32 -1.95 -0.71 116.42 120.58 3dn3 h ASP 159 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dn3 h ASP 159 Cb 1.43 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3dn3 h ASP 159 CO 0.29 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3dn3 n ALA 160 N -2.45 1.80 0.12 3.45 0.00 -1.26 -2.94 120.51 119.23 3dn3 n ALA 160 Ca 0.20 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.68 3dn3 n ALA 160 Cb 0.63 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.80 3dn3 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dn3 n TYR 161 N -1.86 0.14 -0.62 0.00 4.02 -0.29 -4.94 117.16 113.61 3dn3 n TYR 161 Ca 0.04 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3dn3 n TYR 161 Cb 0.24 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3dn3 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48