#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3d h LEU 2 N 0.00 -0.45 -0.86 -4.53 5.85 -1.49 -0.77 115.31 113.06 1a3d h LEU 2 Ca 0.00 0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1a3d h LEU 2 Cb 0.00 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1a3d h LEU 2 CO 0.00 -0.27 -0.33 1.88 -0.34 0.00 0.00 178.44 179.39 1a3d h TYR 3 N 0.06 0.53 -0.15 1.25 0.05 -1.99 -1.49 116.97 115.23 1a3d h TYR 3 Ca 0.50 -0.13 -0.14 0.00 0.05 0.00 0.00 58.73 59.01 1a3d h TYR 3 Cb 0.95 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1a3d h TYR 3 CO -0.48 0.74 -0.52 1.96 -1.05 0.00 0.00 178.16 178.80 1a3d h GLN 4 N 0.40 0.41 -0.35 4.88 4.20 -1.61 -0.05 115.11 122.99 1a3d h GLN 4 Ca 0.05 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 1a3d h GLN 4 Cb 0.77 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1a3d h GLN 4 CO 0.06 0.83 -0.01 0.35 -0.67 0.00 0.00 178.83 179.39 1a3d h PHE 5 N 0.32 0.68 -0.88 2.96 3.57 -1.03 -0.11 116.94 122.46 1a3d h PHE 5 Ca 0.01 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.46 1a3d h PHE 5 Cb 1.02 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1a3d h PHE 5 CO 0.03 0.74 0.54 -0.22 -2.23 0.00 0.00 178.31 177.17 1a3d h LYS 6 N 0.43 0.95 -0.16 1.11 3.64 -0.98 -0.82 116.57 120.74 1a3d h LYS 6 Ca 0.10 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1a3d h LYS 6 Cb 0.47 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1a3d h LYS 6 CO 0.02 0.63 -0.58 -0.91 -2.27 0.00 0.00 179.45 176.34 1a3d h ASN 7 N 0.98 0.58 -0.61 4.20 2.35 -0.72 -1.97 115.58 120.39 1a3d h ASN 7 Ca 0.39 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1a3d h ASN 7 Cb 0.19 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1a3d h ASN 7 CO -0.18 1.03 0.35 0.24 -1.65 0.00 0.00 177.43 177.22 1a3d h MET 8 N 0.39 0.66 -0.85 0.81 2.86 -0.23 0.09 114.93 118.65 1a3d h MET 8 Ca -0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1a3d h MET 8 Cb 1.13 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1a3d h MET 8 CO 0.11 0.43 0.52 0.82 1.06 0.00 0.00 176.91 179.85 1a3d h ILE 9 N 0.68 1.23 0.00 -1.22 2.04 -0.90 -1.39 117.51 117.95 1a3d h ILE 9 Ca 0.26 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1a3d h ILE 9 Cb 0.09 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1a3d h ILE 9 CO -0.14 0.24 -0.24 0.50 0.00 0.00 0.00 178.15 178.52 1a3d h LYS 10 N 1.17 0.00 -0.11 2.37 1.63 -0.70 0.47 116.57 121.40 1a3d h LYS 10 Ca 0.31 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1a3d h LYS 10 Cb -0.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1a3d h LYS 10 CO -0.06 0.24 -0.09 0.00 -3.45 0.00 0.00 179.45 176.09 1a3d h THR 12 N -0.14 1.07 -2.43 0.00 1.35 -0.91 -3.32 112.91 108.52 1a3d h THR 12 Ca 0.02 -2.87 -0.59 0.00 -0.55 0.00 0.00 66.41 62.41 1a3d h THR 12 Cb 0.59 2.54 -0.40 0.00 -1.73 0.00 0.00 68.15 69.16 1a3d h THR 12 CO 0.02 0.63 -0.83 0.52 -0.25 0.00 0.00 175.52 175.61 1a3d n VAL 13 N -3.15 0.31 0.28 6.82 0.31 0.16 -4.78 118.33 118.28 1a3d n VAL 13 Ca -0.13 -4.27 0.16 0.00 -0.01 0.00 0.00 64.34 60.09 1a3d n VAL 13 Cb 1.02 -1.95 0.78 0.00 -0.91 0.00 0.00 33.84 32.79 1a3d n VAL 13 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1a3d h PRO 14 N 4.92 0.00 0.00 5.55 0.13 -1.71 -3.23 132.00 137.65 1a3d h PRO 14 Ca 0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 1a3d h PRO 14 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1a3d h PRO 14 CO 0.57 0.07 -0.81 0.66 -0.23 0.00 0.00 178.00 178.26 1a3d h SER 15 N 0.00 0.00 -3.18 1.44 4.64 -1.93 -3.47 113.55 111.06 1a3d h SER 15 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1a3d h SER 15 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1a3d h SER 15 CO 0.01 0.81 -0.14 -0.13 -0.87 0.00 0.00 176.83 176.51 1a3d s ARG 16 N -2.84 3.61 0.35 4.77 0.52 -1.22 -5.09 118.95 119.05 1a3d s ARG 16 Ca 0.02 -0.02 -0.09 0.00 -0.52 0.00 0.00 55.73 55.12 1a3d s ARG 16 Cb 0.09 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.86 1a3d s ARG 16 CO 0.79 0.19 0.68 0.45 0.02 0.00 0.00 175.30 177.43 1a3d s SER 17 N -3.28 6.52 0.40 0.23 0.15 -1.26 -4.93 113.70 111.53 1a3d s SER 17 Ca 0.44 0.99 0.07 0.00 0.70 0.00 0.00 55.95 58.14 1a3d s SER 17 Cb -0.11 -2.26 0.83 0.00 -1.71 0.00 0.00 66.02 62.78 1a3d s SER 17 CO 0.31 -0.29 2.03 -0.25 1.20 0.00 0.00 173.24 176.24 1a3d h TRP 18 N 1.57 0.57 -0.10 3.44 2.91 -1.95 -2.00 115.95 120.40 1a3d h TRP 18 Ca -0.47 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.53 1a3d h TRP 18 Cb 1.19 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1a3d h TRP 18 CO 0.60 0.35 -0.07 -1.49 -1.03 0.00 0.00 178.44 176.80 1a3d h TRP 19 N 0.61 0.14 0.00 2.65 4.06 -1.98 -1.60 115.95 119.82 1a3d h TRP 19 Ca 0.19 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 1a3d h TRP 19 Cb 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1a3d h TRP 19 CO -0.00 0.21 -0.10 -0.44 -3.56 0.00 0.00 178.44 174.56 1a3d h ASP 20 N 0.14 0.00 0.05 -3.49 5.19 -1.74 -2.19 116.42 114.38 1a3d h ASP 20 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1a3d h ASP 20 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1a3d h ASP 20 CO 0.01 0.10 -0.69 0.49 -3.12 0.00 0.00 179.24 176.03 1a3d n PHE 21 N -3.85 0.00 0.98 4.55 3.72 -0.64 -4.37 117.46 117.85 1a3d n PHE 21 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 1a3d n PHE 21 Cb 0.20 -0.03 0.56 0.00 -0.94 0.00 0.00 39.48 39.26 1a3d n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a3d n ALA 22 N -0.83 2.51 -2.86 4.37 0.00 -0.82 -3.89 120.51 118.99 1a3d n ALA 22 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 1a3d n ALA 22 Cb 0.39 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.44 1a3d n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a3d n ASP 23 N -1.53 -2.38 -3.95 0.00 -0.08 -1.23 -4.19 116.55 103.19 1a3d n ASP 23 Ca 0.07 -3.09 -0.16 0.00 -1.51 0.00 0.00 54.79 50.10 1a3d n ASP 23 Cb 0.34 1.30 -0.15 0.00 2.34 0.00 0.00 41.12 44.95 1a3d n ASP 23 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1a3d s TYR 24 N 0.39 0.46 0.00 -0.67 6.14 -1.11 0.60 117.35 123.16 1a3d s TYR 24 Ca 0.32 -0.09 0.00 0.00 0.64 0.00 0.00 57.07 57.94 1a3d s TYR 24 Cb 0.17 -0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.24 1a3d s TYR 24 CO -0.19 -0.02 0.00 0.41 0.64 0.00 0.00 175.55 176.39 1a3d n GLY 25 N 3.04 1.00 0.03 8.97 0.00 0.04 -1.63 105.19 116.64 1a3d n GLY 25 Ca -0.14 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.38 1a3d n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3d n TYR 27 N -2.11 0.00 -2.32 0.00 4.02 -1.25 -4.10 117.16 111.41 1a3d n TYR 27 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1a3d n TYR 27 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 1a3d n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a3d n GLY 29 N 4.69 2.77 3.64 0.00 0.00 -1.25 -2.74 105.19 112.30 1a3d n GLY 29 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1a3d n GLY 29 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a3d s ARG 30 N -0.00 0.07 0.00 1.61 1.70 -1.23 -4.92 118.95 116.18 1a3d s ARG 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1a3d s ARG 30 Cb 0.00 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1a3d s ARG 30 CO 0.00 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 1a3d n GLY 31 N 0.36 -0.36 0.13 3.88 0.00 -1.26 -3.85 105.19 104.09 1a3d n GLY 31 Ca 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1a3d n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3d n GLY 32 N 0.27 -1.22 3.38 -0.02 0.00 -1.26 -4.65 105.19 101.70 1a3d n GLY 32 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1a3d n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a3d s SER 33 N -0.46 0.54 0.00 1.61 1.04 -1.26 -5.10 113.70 110.07 1a3d s SER 33 Ca 0.01 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1a3d s SER 33 Cb 0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1a3d s SER 33 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1a3d n GLY 34 N -0.43 0.31 3.69 7.32 0.00 -1.26 -4.80 105.19 110.02 1a3d n GLY 34 Ca 0.02 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1a3d n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3d s THR 35 N -1.26 5.04 0.22 2.61 2.01 -1.26 -4.94 115.64 118.06 1a3d s THR 35 Ca 0.00 1.30 -0.32 0.00 0.31 0.00 0.00 61.69 62.99 1a3d s THR 35 Cb 0.00 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 68.39 1a3d s THR 35 CO 0.00 0.19 1.43 -2.65 -0.69 0.00 0.00 174.62 172.90 1a3d n PRO 36 N 4.36 2.02 0.14 4.92 -0.02 -1.26 -4.85 135.00 140.30 1a3d n PRO 36 Ca -0.02 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.17 1a3d n PRO 36 Cb 0.51 -2.39 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 1a3d n PRO 36 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1a3d h VAL 37 N 3.13 1.40 -2.89 -1.45 -1.51 -1.94 -3.47 116.25 109.53 1a3d h VAL 37 Ca -0.45 -1.95 0.03 0.00 -1.23 0.00 0.00 66.70 63.10 1a3d h VAL 37 Cb 1.27 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1a3d h VAL 37 CO 0.78 0.56 0.35 1.51 -1.23 0.00 0.00 177.57 179.54 1a3d s ASP 38 N -6.87 0.01 0.26 4.19 1.47 -1.26 -5.02 116.67 109.45 1a3d s ASP 38 Ca -0.02 -1.03 -0.02 0.00 1.18 0.00 0.00 52.55 52.66 1a3d s ASP 38 Cb 0.13 0.77 0.46 0.00 -0.34 0.00 0.00 42.92 43.93 1a3d s ASP 38 CO 0.76 -1.52 1.83 0.44 0.68 0.00 0.00 175.17 177.35 1a3d h ASP 39 N 2.00 0.80 -0.25 2.11 3.32 -1.91 -1.35 116.42 121.14 1a3d h ASP 39 Ca -0.31 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1a3d h ASP 39 Cb 1.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1a3d h ASP 39 CO 0.40 0.45 0.14 0.25 -1.72 0.00 0.00 179.24 178.75 1a3d h LEU 40 N 0.90 0.22 -1.63 1.55 5.85 -1.91 -2.14 115.31 118.15 1a3d h LEU 40 Ca 0.44 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.21 1a3d h LEU 40 Cb 0.39 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1a3d h LEU 40 CO -0.25 0.17 0.32 -0.78 -0.34 0.00 0.00 178.44 177.56 1a3d h ASP 41 N 0.29 0.40 -0.73 1.25 3.58 -1.69 -0.40 116.42 119.12 1a3d h ASP 41 Ca 0.10 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1a3d h ASP 41 Cb 0.01 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1a3d h ASP 41 CO -0.05 0.27 0.24 -0.09 -2.88 0.00 0.00 179.24 176.73 1a3d h ARG 42 N 0.46 1.12 -0.55 0.28 1.12 -0.67 -0.80 114.38 115.34 1a3d h ARG 42 Ca 0.20 -0.23 0.08 0.00 -1.11 0.00 0.00 59.98 58.92 1a3d h ARG 42 Cb 0.22 -0.17 -0.07 0.00 -0.01 0.00 0.00 29.97 29.95 1a3d h ARG 42 CO -0.05 0.95 0.18 0.00 -3.11 0.00 0.00 179.97 177.94 1a3d h GLN 45 N 0.46 0.71 -0.84 0.00 4.15 -0.02 -1.79 115.11 117.77 1a3d h GLN 45 Ca 0.09 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1a3d h GLN 45 Cb 0.47 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 1a3d h GLN 45 CO 0.03 0.77 0.46 0.28 -1.93 0.00 0.00 178.83 178.44 1a3d h VAL 46 N 0.54 1.24 -0.73 2.39 2.07 -1.07 -1.42 116.25 119.28 1a3d h VAL 46 Ca 0.12 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1a3d h VAL 46 Cb 0.44 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1a3d h VAL 46 CO 0.02 0.27 0.26 -0.74 0.02 0.00 0.00 177.57 177.40 1a3d h HIS 47 N 1.16 1.15 -0.46 1.57 -0.00 -1.19 0.31 115.15 117.69 1a3d h HIS 47 Ca 0.29 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1a3d h HIS 47 Cb 0.02 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 1a3d h HIS 47 CO 0.00 0.90 0.13 0.22 -0.00 0.00 0.00 177.93 179.19 1a3d h ASP 48 N 1.07 0.67 -0.42 3.26 3.58 -1.09 -1.12 116.42 122.38 1a3d h ASP 48 Ca 0.24 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1a3d h ASP 48 Cb 0.26 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1a3d h ASP 48 CO -0.01 0.71 0.04 0.78 -2.88 0.00 0.00 179.24 177.87 1a3d h ASN 49 N 0.60 0.75 -0.58 2.28 2.35 -0.91 -1.72 115.58 118.36 1a3d h ASN 49 Ca 0.15 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1a3d h ASN 49 Cb 0.28 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1a3d h ASN 49 CO -0.00 0.80 0.17 0.00 -1.65 0.00 0.00 177.43 176.75 1a3d h TYR 51 N 0.82 0.65 -0.30 0.00 -1.99 -0.91 -1.99 116.97 113.25 1a3d h TYR 51 Ca 0.19 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 1a3d h TYR 51 Cb 0.30 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1a3d h TYR 51 CO 0.02 0.79 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.90 1a3d h ASN 52 N 0.50 0.52 -0.35 3.88 2.35 -1.05 -1.69 115.58 119.75 1a3d h ASN 52 Ca 0.07 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1a3d h ASN 52 Cb 0.72 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1a3d h ASN 52 CO 0.06 0.69 -0.26 -0.08 -1.65 0.00 0.00 177.43 176.19 1a3d h GLU 53 N 0.48 0.79 0.00 0.81 4.57 -1.05 -3.03 114.58 117.16 1a3d h GLU 53 Ca 0.08 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 1a3d h GLU 53 Cb 0.55 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1a3d h GLU 53 CO 0.04 1.02 -0.15 0.00 -1.18 0.00 0.00 179.01 178.73 1a3d h ALA 54 N 0.76 1.56 0.00 2.92 0.00 -0.86 -1.89 119.26 121.75 1a3d h ALA 54 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a3d h ALA 54 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1a3d h ALA 54 CO 0.07 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.90 1a3d n GLU 55 N -4.08 0.13 0.23 0.00 1.02 -0.68 -1.51 120.64 115.75 1a3d n GLU 55 Ca -0.02 0.19 0.14 0.00 -0.02 0.00 0.00 57.16 57.45 1a3d n GLU 55 Cb 0.23 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.56 1a3d n GLU 55 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1a3d h LYS 56 N 0.00 0.00 -6.26 3.49 1.57 -1.41 -3.44 116.57 110.51 1a3d h LYS 56 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1a3d h LYS 56 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1a3d h LYS 56 CO 0.00 0.00 0.73 0.42 -0.57 0.00 0.00 179.45 180.03 1a3d s ILE 57 N -3.38 4.34 -0.16 1.86 1.01 -0.57 -4.94 121.20 119.35 1a3d s ILE 57 Ca 0.05 1.64 -0.39 0.00 0.00 0.00 0.00 60.65 61.95 1a3d s ILE 57 Cb 0.07 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.33 1a3d s ILE 57 CO 0.60 -0.04 1.64 -1.20 0.00 0.00 0.00 174.94 175.94 1a3d n SER 58 N 5.52 2.26 -0.01 3.58 7.64 -1.26 -1.17 113.62 130.18 1a3d n SER 58 Ca 0.11 1.08 -0.00 0.00 1.01 0.00 0.00 58.87 61.07 1a3d n SER 58 Cb 0.46 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1a3d n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3d n GLY 59 N 3.74 0.42 3.61 0.23 0.00 -1.26 -4.99 105.19 106.93 1a3d n GLY 59 Ca 0.24 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1a3d n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3d s TRP 61 N 2.81 2.38 0.19 0.00 0.51 -1.26 -4.52 118.94 119.05 1a3d s TRP 61 Ca 0.29 -2.63 -0.14 0.00 -2.12 0.00 0.00 56.10 51.51 1a3d s TRP 61 Cb -0.14 -2.19 0.20 0.00 -0.81 0.00 0.00 33.47 30.53 1a3d s TRP 61 CO 0.12 -0.78 1.27 -2.30 -0.51 0.00 0.00 176.95 174.75 1a3d n PRO 62 N 3.51 -0.19 0.18 4.98 -0.02 -1.26 -1.04 135.00 141.16 1a3d n PRO 62 Ca 0.07 1.26 0.14 0.00 -2.02 0.00 0.00 63.50 62.95 1a3d n PRO 62 Cb 0.34 -1.87 0.58 0.00 -0.02 0.00 0.00 33.50 32.53 1a3d n PRO 62 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1a3d h TYR 63 N 0.00 0.00 0.00 6.00 0.05 -1.97 -3.02 116.97 118.04 1a3d h TYR 63 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1a3d h TYR 63 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1a3d h TYR 63 CO -0.72 0.00 -1.42 1.19 -1.05 0.00 0.00 178.16 176.16 1a3d n PHE 64 N -2.52 0.00 -2.61 4.88 3.72 -0.25 -1.49 117.46 119.19 1a3d n PHE 64 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1a3d n PHE 64 Cb 0.24 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 1a3d n PHE 64 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1a3d s LYS 65 N -2.83 4.30 0.27 -1.08 2.47 -0.21 -4.78 119.74 117.88 1a3d s LYS 65 Ca -0.03 1.44 -0.29 0.00 -1.56 0.00 0.00 55.97 55.53 1a3d s LYS 65 Cb 0.09 -3.63 -0.09 0.00 -1.46 0.00 0.00 37.83 32.74 1a3d s LYS 65 CO 0.58 -0.56 0.95 0.99 0.16 0.00 0.00 175.35 177.47 1a3d s THR 66 N 2.91 4.07 0.25 3.43 2.01 -1.26 0.85 115.64 127.89 1a3d s THR 66 Ca 0.47 1.97 0.02 0.00 0.31 0.00 0.00 61.69 64.47 1a3d s THR 66 Cb -0.17 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1a3d s THR 66 CO 0.11 0.39 0.17 -0.72 -0.69 0.00 0.00 174.62 173.88 1a3d s TYR 67 N -1.30 1.38 -0.29 4.92 -0.85 -1.26 -4.81 117.35 115.14 1a3d s TYR 67 Ca 0.44 -1.45 -0.10 0.00 -0.52 0.00 0.00 57.07 55.44 1a3d s TYR 67 Cb -0.24 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.43 1a3d s TYR 67 CO 0.30 -0.68 0.15 -1.12 -1.52 0.00 0.00 175.55 172.68 1a3d s SER 68 N -3.24 5.61 0.32 -0.18 0.01 -1.26 -4.97 113.70 109.99 1a3d s SER 68 Ca 0.39 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.31 1a3d s SER 68 Cb 0.06 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 1a3d s SER 68 CO 0.17 -0.12 0.45 -0.72 0.41 0.00 0.00 173.24 173.43 1a3d s TYR 69 N 1.66 1.02 -0.16 2.43 1.13 -1.26 -0.40 117.35 121.78 1a3d s TYR 69 Ca 0.06 -1.26 -0.16 0.00 -1.41 0.00 0.00 57.07 54.31 1a3d s TYR 69 Cb -0.16 -0.11 0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1a3d s TYR 69 CO 0.07 -1.08 0.44 -2.00 -2.51 0.00 0.00 175.55 170.47 1a3d s GLU 70 N -3.23 0.53 -0.36 -3.49 2.12 0.11 -4.84 118.70 109.54 1a3d s GLU 70 Ca 0.31 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 56.19 1a3d s GLU 70 Cb 0.00 0.26 0.08 0.00 0.26 0.00 0.00 34.13 34.73 1a3d s GLU 70 CO 0.19 -0.07 0.12 0.00 -0.54 0.00 0.00 175.26 174.96 1a3d n SER 72 N 4.63 6.42 -3.09 0.00 7.64 0.83 -4.79 113.62 125.26 1a3d n SER 72 Ca -0.07 -3.41 -0.00 0.00 1.01 0.00 0.00 58.87 56.39 1a3d n SER 72 Cb 0.42 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1a3d n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3d n GLN 73 N 1.43 -1.12 0.00 1.43 1.13 -1.26 -2.76 117.38 116.22 1a3d n GLN 73 Ca 0.30 1.18 0.00 0.00 -1.94 0.00 0.00 57.00 56.54 1a3d n GLN 73 Cb 0.33 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1a3d n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a3d n GLY 74 N 2.15 2.42 3.76 1.08 0.00 -1.25 -4.99 105.19 108.36 1a3d n GLY 74 Ca -0.01 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1a3d n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3d s THR 75 N -0.81 5.10 -0.09 2.61 2.01 -1.11 -4.61 115.64 118.74 1a3d s THR 75 Ca 0.00 0.95 0.02 0.00 0.31 0.00 0.00 61.69 62.97 1a3d s THR 75 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1a3d s THR 75 CO 0.00 0.42 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.46 1a3d s LEU 76 N -0.01 2.82 -0.07 4.42 1.43 -1.26 -0.12 118.68 125.89 1a3d s LEU 76 Ca 0.26 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1a3d s LEU 76 Cb -0.16 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1a3d s LEU 76 CO 0.12 0.28 0.16 -0.89 0.23 0.00 0.00 176.35 176.25 1a3d s THR 77 N -0.31 -0.02 -0.26 5.49 2.01 -0.55 -4.98 115.64 117.02 1a3d s THR 77 Ca 0.03 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1a3d s THR 77 Cb -0.13 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1a3d s THR 77 CO 0.03 0.04 0.50 0.00 -0.69 0.00 0.00 174.62 174.49 1a3d s LYS 79 N 2.25 3.49 0.15 0.00 1.02 0.46 -4.95 119.74 122.16 1a3d s LYS 79 Ca 0.20 1.50 0.14 0.00 0.02 0.00 0.00 55.97 57.83 1a3d s LYS 79 Cb -0.16 -2.04 0.67 0.00 -0.52 0.00 0.00 37.83 35.78 1a3d s LYS 79 CO 0.09 -0.71 1.43 0.41 -0.92 0.00 0.00 175.35 175.65 1a3d n GLY 80 N -0.05 -0.87 0.00 -3.33 0.00 -1.26 -3.20 105.19 96.48 1a3d n GLY 80 Ca 0.11 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1a3d n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a3d n ASP 81 N -1.87 0.00 -4.77 1.61 5.68 -1.26 -4.90 116.55 111.05 1a3d n ASP 81 Ca 0.01 -0.68 -0.39 0.00 -0.50 0.00 0.00 54.79 53.23 1a3d n ASP 81 Cb 0.09 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1a3d n ASP 81 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1a3d s ASN 82 N -2.16 6.92 1.05 -1.12 0.01 -1.19 -5.04 114.94 113.40 1a3d s ASN 82 Ca 0.39 2.28 -0.10 0.00 -0.71 0.00 0.00 52.86 54.72 1a3d s ASN 82 Cb 0.20 -2.62 0.14 0.00 0.41 0.00 0.00 41.25 39.38 1a3d s ASN 82 CO 0.36 -0.39 0.68 -0.46 -1.51 0.00 0.00 177.10 175.78 1a3d n ASN 83 N 0.60 -0.54 -0.03 -1.22 0.23 -1.26 -4.63 115.26 108.41 1a3d n ASN 83 Ca 0.02 -1.12 -0.11 0.00 -0.53 0.00 0.00 54.58 52.84 1a3d n ASN 83 Cb 0.46 -0.55 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 1a3d n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a3d h ALA 84 N -2.07 0.21 -0.47 -2.53 0.00 -1.99 -1.08 119.26 111.33 1a3d h ALA 84 Ca -0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1a3d h ALA 84 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1a3d h ALA 84 CO 0.16 -0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.33 1a3d h ALA 86 N 1.05 0.55 -0.55 0.00 0.00 -1.83 -1.71 119.26 116.77 1a3d h ALA 86 Ca 0.16 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1a3d h ALA 86 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1a3d h ALA 86 CO -0.02 0.23 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 1a3d h ALA 87 N 0.96 0.84 -0.29 0.00 0.00 -1.16 0.15 119.26 119.77 1a3d h ALA 87 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1a3d h ALA 87 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a3d h ALA 87 CO 0.00 0.66 0.08 0.77 0.00 0.00 0.00 179.25 180.76 1a3d h SER 88 N 0.91 0.43 -0.53 0.00 0.02 -1.24 -1.45 113.55 111.68 1a3d h SER 88 Ca 0.15 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1a3d h SER 88 Cb 0.61 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1a3d h SER 88 CO 0.04 0.53 -0.14 0.58 -1.14 0.00 0.00 176.83 176.71 1a3d h VAL 89 N 0.30 1.27 -0.66 2.27 2.07 -1.18 -1.54 116.25 118.77 1a3d h VAL 89 Ca 0.09 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1a3d h VAL 89 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1a3d h VAL 89 CO -0.00 0.46 0.25 0.00 0.02 0.00 0.00 177.57 178.30 1a3d h ASP 91 N 0.95 0.57 -0.44 0.00 3.58 -0.92 -0.76 116.42 119.39 1a3d h ASP 91 Ca 0.22 -0.36 0.05 0.00 0.42 0.00 0.00 57.03 57.36 1a3d h ASP 91 Cb 0.20 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 1a3d h ASP 91 CO -0.02 0.79 0.16 0.00 -2.88 0.00 0.00 179.24 177.30 1a3d h ASP 93 N 0.34 0.69 0.63 0.00 3.32 -0.94 -2.53 116.42 117.93 1a3d h ASP 93 Ca 0.20 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1a3d h ASP 93 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1a3d h ASP 93 CO -0.20 0.73 -0.41 -0.09 -1.72 0.00 0.00 179.24 177.55 1a3d h ARG 94 N 0.61 -0.95 -0.69 3.56 2.43 -0.86 -0.49 114.38 117.98 1a3d h ARG 94 Ca 0.15 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 1a3d h ARG 94 Cb 0.30 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 1a3d h ARG 94 CO -0.00 -0.64 0.34 -0.07 -1.51 0.00 0.00 179.97 178.09 1a3d h LEU 95 N -0.99 0.44 -0.23 3.80 3.38 -1.35 -1.90 115.31 118.46 1a3d h LEU 95 Ca -0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a3d h LEU 95 Cb 0.81 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1a3d h LEU 95 CO 0.07 0.26 0.13 0.00 0.09 0.00 0.00 178.44 178.99 1a3d h ALA 96 N 1.41 0.30 -0.67 1.53 0.00 -1.36 0.14 119.26 120.62 1a3d h ALA 96 Ca 0.33 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1a3d h ALA 96 Cb 0.34 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1a3d h ALA 96 CO -0.26 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.17 1a3d h ALA 97 N 1.01 0.90 -0.49 0.00 0.00 -0.50 0.26 119.26 120.43 1a3d h ALA 97 Ca 0.08 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1a3d h ALA 97 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a3d h ALA 97 CO -0.01 0.00 -0.09 0.82 0.00 0.00 0.00 179.25 179.97 1a3d h ILE 98 N 0.64 1.27 -0.64 0.00 2.04 -1.25 -2.42 117.51 117.14 1a3d h ILE 98 Ca 0.31 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1a3d h ILE 98 Cb 0.25 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1a3d h ILE 98 CO -0.21 0.42 0.41 0.00 0.00 0.00 0.00 178.15 178.77 1a3d h PHE 100 N 0.83 0.46 -0.32 0.00 -1.00 -0.50 -2.54 116.94 113.86 1a3d h PHE 100 Ca 0.24 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.91 1a3d h PHE 100 Cb -0.05 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 1a3d h PHE 100 CO -0.04 0.45 -0.13 0.00 -1.61 0.00 0.00 178.31 176.98 1a3d h ALA 101 N 1.59 1.17 0.03 2.45 0.00 -0.91 -3.30 119.26 120.30 1a3d h ALA 101 Ca 0.10 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1a3d h ALA 101 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a3d h ALA 101 CO 0.01 0.53 -1.52 0.78 0.00 0.00 0.00 179.25 179.05 1a3d h GLY 102 N 0.95 0.08 -4.03 0.00 0.00 -1.38 -3.48 103.07 95.22 1a3d h GLY 102 Ca 0.09 -0.20 -0.52 0.00 0.00 0.00 0.00 47.33 46.71 1a3d h GLY 102 CO 0.03 0.17 0.56 0.00 0.00 0.00 0.00 176.54 177.30 1a3d s ALA 103 N -2.63 3.45 0.52 3.60 0.00 -0.99 -5.01 121.76 120.70 1a3d s ALA 103 Ca -0.05 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 1a3d s ALA 103 Cb 0.08 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1a3d s ALA 103 CO 0.83 -0.37 1.09 -1.25 0.00 0.00 0.00 175.76 176.06 1a3d s PRO 104 N -0.77 3.55 -0.33 0.00 0.04 -1.26 -4.91 135.00 131.31 1a3d s PRO 104 Ca 0.50 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1a3d s PRO 104 Cb -0.34 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1a3d s PRO 104 CO 0.40 -0.67 0.21 -0.47 0.04 0.00 0.00 177.00 176.51 1a3d s TYR 105 N -1.85 3.21 -0.47 0.56 6.14 -1.26 -4.49 117.35 119.20 1a3d s TYR 105 Ca 0.70 -0.30 -0.19 0.00 0.64 0.00 0.00 57.07 57.93 1a3d s TYR 105 Cb -0.21 -2.44 0.05 0.00 0.42 0.00 0.00 41.96 39.78 1a3d s TYR 105 CO 0.24 -0.38 0.56 1.21 0.64 0.00 0.00 175.55 177.83 1a3d s ASN 106 N 1.69 6.22 0.60 4.32 3.84 -1.26 -4.94 114.94 125.42 1a3d s ASN 106 Ca 0.06 -0.81 0.29 0.00 0.21 0.00 0.00 52.86 52.60 1a3d s ASN 106 Cb -0.17 -2.27 1.53 0.00 -0.55 0.00 0.00 41.25 39.79 1a3d s ASN 106 CO 0.09 -0.78 1.94 0.44 -2.79 0.00 0.00 177.10 176.00 1a3d h ASP 107 N 8.89 0.00 0.94 -4.21 3.32 -1.99 0.95 116.42 124.32 1a3d h ASP 107 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1a3d h ASP 107 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1a3d h ASP 107 CO 0.91 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 179.02 1a3d n ASN 108 N -3.64 0.46 -1.15 6.45 3.02 -1.26 -3.04 115.26 116.10 1a3d n ASN 108 Ca 0.06 0.58 0.12 0.00 -0.03 0.00 0.00 54.58 55.31 1a3d n ASN 108 Cb 0.56 -0.69 0.21 0.00 -0.61 0.00 0.00 39.78 39.26 1a3d n ASN 108 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a3d n ASN 109 N -1.97 3.44 -4.71 6.41 5.03 0.33 -4.88 115.26 118.91 1a3d n ASN 109 Ca 0.04 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 53.08 1a3d n ASN 109 Cb 0.29 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 1a3d n ASN 109 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1a3d s TYR 110 N -1.53 3.64 -1.15 3.10 5.04 -1.17 -0.78 117.35 124.49 1a3d s TYR 110 Ca 0.38 1.56 -0.13 0.00 -2.44 0.00 0.00 57.07 56.44 1a3d s TYR 110 Cb 0.23 -3.02 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 1a3d s TYR 110 CO 0.32 0.02 0.80 -1.71 -1.34 0.00 0.00 175.55 173.64 1a3d n ASN 111 N 3.85 -4.84 -4.85 4.32 4.05 0.20 -4.96 115.26 113.03 1a3d n ASN 111 Ca 0.04 -0.91 -0.24 0.00 0.45 0.00 0.00 54.58 53.92 1a3d n ASN 111 Cb 0.51 -3.92 0.07 0.00 1.23 0.00 0.00 39.78 37.67 1a3d n ASN 111 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1a3d s ILE 112 N -3.49 2.39 -0.53 -1.44 -4.36 -1.26 -5.03 121.20 107.47 1a3d s ILE 112 Ca 0.38 -0.49 -0.23 0.00 -0.26 0.00 0.00 60.65 60.05 1a3d s ILE 112 Cb -0.11 -2.90 0.04 0.00 1.25 0.00 0.00 42.46 40.75 1a3d s ILE 112 CO 0.83 0.00 0.87 -0.62 0.24 0.00 0.00 174.94 176.26 1a3d s ASP 113 N -4.55 6.32 0.40 4.36 -1.08 -1.26 -4.91 116.67 115.96 1a3d s ASP 113 Ca 0.61 -0.43 0.08 0.00 -0.52 0.00 0.00 52.55 52.29 1a3d s ASP 113 Cb -0.09 -2.41 0.86 0.00 -1.46 0.00 0.00 42.92 39.82 1a3d s ASP 113 CO 0.42 -1.14 2.02 -0.07 0.52 0.00 0.00 175.17 176.92 1a3d h LEU 114 N 10.67 0.50 -0.79 -1.34 3.38 -1.95 -0.96 115.31 124.82 1a3d h LEU 114 Ca -0.26 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1a3d h LEU 114 Cb 1.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1a3d h LEU 114 CO 1.06 0.34 -0.19 0.11 0.09 0.00 0.00 178.44 179.85 1a3d h LYS 115 N 0.58 0.71 0.00 1.13 1.57 -1.92 -1.42 116.57 117.22 1a3d h LYS 115 Ca 0.22 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1a3d h LYS 115 Cb 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a3d h LYS 115 CO -0.06 0.85 -0.70 0.00 -0.57 0.00 0.00 179.45 178.97 1a3d h ALA 116 N 1.16 0.58 0.00 3.86 0.00 -1.61 -3.38 119.26 119.87 1a3d h ALA 116 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a3d h ALA 116 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a3d h ALA 116 CO 0.05 0.83 -1.18 0.54 0.00 0.00 0.00 179.25 179.49 1a3d n ARG 117 N -3.25 0.56 -2.86 0.00 5.12 -0.66 -4.86 116.66 110.71 1a3d n ARG 117 Ca 0.01 -0.05 -0.38 0.00 -1.93 0.00 0.00 57.85 55.50 1a3d n ARG 117 Cb 0.80 -1.11 -0.00 0.00 -1.16 0.00 0.00 32.46 31.00 1a3d n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70