#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnl s ASP 2 N 0.00 3.61 0.26 0.00 3.84 -1.26 -4.89 116.67 118.23 3hnl s ASP 2 Ca 0.00 0.79 0.07 0.00 -0.00 0.00 0.00 52.55 53.41 3hnl s ASP 2 Cb 0.00 -1.24 0.32 0.00 -1.38 0.00 0.00 42.92 40.62 3hnl s ASP 2 CO 0.00 -2.47 1.60 0.25 -0.00 0.00 0.00 175.17 174.55 3hnl h LEU 3 N -1.44 0.16 0.24 2.11 7.12 -1.97 -2.79 115.31 118.74 3hnl h LEU 3 Ca -0.48 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.43 3hnl h LEU 3 Cb 1.32 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 3hnl h LEU 3 CO 0.58 0.71 -0.11 -0.08 -0.13 0.00 0.00 178.44 179.41 3hnl h GLU 4 N 0.11 -0.31 -0.64 1.25 4.81 -1.99 -2.57 114.58 115.24 3hnl h GLU 4 Ca -0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hnl h GLU 4 Cb 1.07 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3hnl h GLU 4 CO 0.09 -0.11 0.38 -0.44 -0.73 0.00 0.00 179.01 178.20 3hnl h ASP 5 N -0.45 0.62 -0.89 1.04 3.45 -1.94 -1.28 116.42 116.97 3hnl h ASP 5 Ca -0.03 0.01 0.07 0.00 0.43 0.00 0.00 57.03 57.51 3hnl h ASP 5 Cb 0.34 -0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 3hnl h ASP 5 CO 0.05 0.42 0.58 0.78 -1.57 0.00 0.00 179.24 179.50 3hnl h ASN 6 N 0.75 0.86 -0.08 6.45 2.35 -1.50 -1.25 115.58 123.14 3hnl h ASN 6 Ca 0.26 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.83 3hnl h ASN 6 Cb 0.06 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3hnl h ASN 6 CO -0.12 0.54 -0.65 0.24 -1.65 0.00 0.00 177.43 175.79 3hnl h MET 7 N 0.96 0.70 -0.29 0.81 2.86 -0.91 -1.90 114.93 117.17 3hnl h MET 7 Ca 0.39 -0.50 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3hnl h MET 7 Cb 0.26 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3hnl h MET 7 CO -0.15 1.12 0.12 0.93 1.06 0.00 0.00 176.91 179.99 3hnl h GLU 8 N 0.51 0.42 -0.49 1.72 4.39 -0.87 -0.67 114.58 119.60 3hnl h GLU 8 Ca -0.01 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.69 3hnl h GLU 8 Cb 1.24 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 3hnl h GLU 8 CO 0.13 0.44 0.13 1.15 -1.16 0.00 0.00 179.01 179.70 3hnl h THR 9 N 0.32 0.77 0.18 1.13 2.02 -1.19 0.49 112.91 116.63 3hnl h THR 9 Ca 0.10 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hnl h THR 9 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3hnl h THR 9 CO -0.01 0.05 -0.14 -0.07 0.37 0.00 0.00 175.52 175.72 3hnl h LEU 10 N 0.28 -0.37 0.00 2.58 4.07 -1.20 -1.61 115.31 119.06 3hnl h LEU 10 Ca 0.24 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 3hnl h LEU 10 Cb 0.29 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3hnl h LEU 10 CO -0.28 -0.22 -0.00 -1.13 -1.08 0.00 0.00 178.44 175.72 3hnl h ASN 11 N -0.34 -0.00 -0.45 -0.43 -1.24 -0.69 -2.38 115.58 110.05 3hnl h ASN 11 Ca -0.01 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.94 3hnl h ASN 11 Cb 0.30 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3hnl h ASN 11 CO -0.01 0.06 0.29 0.44 -1.29 0.00 0.00 177.43 176.92 3hnl h ASP 12 N -0.07 0.51 1.24 1.15 3.32 -0.01 -2.65 116.42 119.92 3hnl h ASP 12 Ca -0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3hnl h ASP 12 Cb 0.07 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hnl h ASP 12 CO 0.00 0.37 -0.11 0.78 -1.72 0.00 0.00 179.24 178.56 3hnl h ASN 13 N 0.60 0.00 -0.35 6.45 4.21 -1.27 -0.63 115.58 124.59 3hnl h ASN 13 Ca 0.17 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 3hnl h ASN 13 Cb -0.07 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 3hnl h ASN 13 CO -0.04 0.11 -0.11 0.25 -1.29 0.00 0.00 177.43 176.35 3hnl h LEU 14 N 0.00 0.78 -0.15 1.61 5.85 -1.08 -1.71 115.31 120.61 3hnl h LEU 14 Ca -0.00 -0.23 -0.23 0.00 0.84 0.00 0.00 57.88 58.25 3hnl h LEU 14 Cb 0.76 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.59 3hnl h LEU 14 CO 0.01 0.91 -0.85 0.50 -0.34 0.00 0.00 178.44 178.68 3hnl h LYS 15 N 0.71 0.72 -0.48 1.25 1.63 -1.05 -2.18 116.57 117.17 3hnl h LYS 15 Ca 0.12 -0.64 0.08 0.00 -0.85 0.00 0.00 60.65 59.36 3hnl h LYS 15 Cb 0.60 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.31 3hnl h LYS 15 CO 0.04 1.24 0.11 0.28 -3.45 0.00 0.00 179.45 177.66 3hnl h VAL 16 N 0.47 0.74 -0.20 2.00 2.07 -1.09 -2.08 116.25 118.17 3hnl h VAL 16 Ca -0.07 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hnl h VAL 16 Cb 1.48 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hnl h VAL 16 CO 0.17 0.04 0.10 0.40 0.02 0.00 0.00 177.57 178.30 3hnl h ILE 17 N 0.24 1.13 -0.99 4.57 2.04 -1.22 -1.55 117.51 121.74 3hnl h ILE 17 Ca 0.24 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.90 3hnl h ILE 17 Cb 0.31 1.02 -0.11 0.00 -0.74 0.00 0.00 36.82 37.31 3hnl h ILE 17 CO -0.31 0.13 0.59 -0.08 0.00 0.00 0.00 178.15 178.49 3hnl h GLU 18 N 0.20 0.72 -0.01 2.37 4.81 -1.14 -1.98 114.58 119.53 3hnl h GLU 18 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3hnl h GLU 18 Cb 0.12 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3hnl h GLU 18 CO -0.01 0.47 -0.16 1.63 -0.73 0.00 0.00 179.01 180.21 3hnl n LYS 19 N -4.79 1.33 -2.07 1.92 5.02 -0.80 -4.98 118.16 113.79 3hnl n LYS 19 Ca 0.23 -0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 55.28 3hnl n LYS 19 Cb 0.57 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 3hnl n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hnl s ALA 20 N -2.27 2.84 -0.47 7.82 0.00 -0.62 -4.97 121.76 124.09 3hnl s ALA 20 Ca 0.29 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.39 3hnl s ALA 20 Cb 0.20 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 3hnl s ALA 20 CO 0.44 -0.96 0.39 -0.25 0.00 0.00 0.00 175.76 175.38 3hnl n ASP 21 N -0.87 0.54 -4.13 0.00 10.43 -1.26 -5.06 116.55 116.19 3hnl n ASP 21 Ca 0.09 -0.77 -0.12 0.00 2.57 0.00 0.00 54.79 56.57 3hnl n ASP 21 Cb 0.48 0.89 -0.09 0.00 1.84 0.00 0.00 41.12 44.23 3hnl n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hnl s ASN 22 N -1.64 0.15 0.24 -2.24 2.20 -1.26 -5.07 114.94 107.31 3hnl s ASN 22 Ca 0.04 -1.31 0.00 0.00 -0.94 0.00 0.00 52.86 50.65 3hnl s ASN 22 Cb 0.06 0.43 0.26 0.00 -2.00 0.00 0.00 41.25 40.00 3hnl s ASN 22 CO 0.31 -0.91 1.61 0.00 -2.94 0.00 0.00 177.10 175.17 3hnl h ALA 23 N 2.53 0.89 -0.70 3.54 0.00 -1.97 -3.12 119.26 120.44 3hnl h ALA 23 Ca -0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 3hnl h ALA 23 Cb 1.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hnl h ALA 23 CO 0.49 0.64 0.41 0.00 0.00 0.00 0.00 179.25 180.79 3hnl h ALA 24 N 1.15 0.89 -0.97 0.00 0.00 -1.97 -0.26 119.26 118.09 3hnl h ALA 24 Ca 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hnl h ALA 24 Cb 0.91 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3hnl h ALA 24 CO 0.08 0.37 0.64 1.96 0.00 0.00 0.00 179.25 182.29 3hnl h GLN 25 N 0.95 1.22 -0.21 0.00 4.20 -1.98 -1.43 115.11 117.86 3hnl h GLN 25 Ca 0.25 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3hnl h GLN 25 Cb -0.02 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.48 3hnl h GLN 25 CO -0.05 0.81 -0.15 0.28 -0.67 0.00 0.00 178.83 179.05 3hnl h VAL 26 N 1.26 1.32 0.22 -0.54 2.07 -1.37 -2.67 116.25 116.54 3hnl h VAL 26 Ca 0.37 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hnl h VAL 26 Cb -0.05 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3hnl h VAL 26 CO -0.10 0.39 -0.16 0.11 0.02 0.00 0.00 177.57 177.82 3hnl h LYS 27 N 0.16 -0.37 -0.56 1.57 1.57 -0.78 -1.43 116.57 116.73 3hnl h LYS 27 Ca 0.04 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 3hnl h LYS 27 Cb 0.67 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.98 3hnl h LYS 27 CO 0.04 -0.25 0.09 0.22 -0.57 0.00 0.00 179.45 178.98 3hnl h ASP 28 N -0.39 -0.05 -0.72 0.86 1.82 -1.32 -1.33 116.42 115.28 3hnl h ASP 28 Ca -0.01 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 3hnl h ASP 28 Cb 0.34 0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.48 3hnl h ASP 28 CO -0.00 -0.01 0.31 0.00 -1.61 0.00 0.00 179.24 177.93 3hnl h ALA 29 N 1.46 0.93 -0.57 -0.78 0.00 -1.22 -2.31 119.26 116.77 3hnl h ALA 29 Ca 0.29 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hnl h ALA 29 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hnl h ALA 29 CO -0.40 0.53 0.05 -0.07 0.00 0.00 0.00 179.25 179.37 3hnl h LEU 30 N 1.02 0.94 -0.96 0.00 3.38 -0.54 -1.09 115.31 118.06 3hnl h LEU 30 Ca 0.24 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hnl h LEU 30 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3hnl h LEU 30 CO -0.02 0.99 -0.12 0.71 0.09 0.00 0.00 178.44 180.09 3hnl h THR 31 N 0.86 1.24 -0.72 0.22 1.35 -1.16 -0.90 112.91 113.81 3hnl h THR 31 Ca 0.17 -1.10 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 3hnl h THR 31 Cb 0.47 1.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 3hnl h THR 31 CO 0.02 0.37 0.32 0.11 -0.25 0.00 0.00 175.52 176.08 3hnl h LYS 32 N 0.57 1.06 -0.31 4.72 1.57 -1.08 -1.91 116.57 121.19 3hnl h LYS 32 Ca 0.10 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hnl h LYS 32 Cb 0.54 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hnl h LYS 32 CO 0.03 0.85 0.16 0.52 -0.57 0.00 0.00 179.45 180.44 3hnl h MET 33 N 1.02 0.44 -0.64 3.15 2.86 -0.80 -2.54 114.93 118.42 3hnl h MET 33 Ca 0.24 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3hnl h MET 33 Cb 0.17 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3hnl h MET 33 CO -0.03 0.40 0.42 0.00 1.06 0.00 0.00 176.91 178.77 3hnl h ALA 34 N 1.02 0.82 -0.37 6.32 0.00 -0.97 -1.28 119.26 124.78 3hnl h ALA 34 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hnl h ALA 34 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hnl h ALA 34 CO -0.01 0.25 0.01 0.00 0.00 0.00 0.00 179.25 179.49 3hnl h ALA 35 N 1.23 1.33 -0.20 0.00 0.00 -1.30 -0.74 119.26 119.58 3hnl h ALA 35 Ca 0.24 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3hnl h ALA 35 Cb -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hnl h ALA 35 CO -0.05 0.46 -0.67 0.00 0.00 0.00 0.00 179.25 178.99 3hnl h ALA 36 N 1.46 0.34 -0.54 0.00 0.00 -0.98 -2.01 119.26 117.53 3hnl h ALA 36 Ca 0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3hnl h ALA 36 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hnl h ALA 36 CO 0.01 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 3hnl h ALA 37 N 0.59 0.78 -0.69 0.00 0.00 -1.01 0.02 119.26 118.94 3hnl h ALA 37 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3hnl h ALA 37 Cb 1.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3hnl h ALA 37 CO 0.14 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.46 3hnl h ALA 38 N 0.95 0.88 -0.07 0.00 0.00 -1.13 -2.55 119.26 117.34 3hnl h ALA 38 Ca 0.14 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hnl h ALA 38 Cb 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hnl h ALA 38 CO 0.05 0.38 -0.56 0.22 0.00 0.00 0.00 179.25 179.34 3hnl h ASP 39 N 0.95 0.23 0.87 0.00 1.82 -1.10 -2.74 116.42 116.45 3hnl h ASP 39 Ca 0.25 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 3hnl h ASP 39 Cb 0.01 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 39.95 3hnl h ASP 39 CO -0.04 0.74 0.00 0.00 -1.61 0.00 0.00 179.24 178.33 3hnl h ALA 40 N 1.26 1.00 -0.86 -0.78 0.00 -0.65 -3.32 119.26 115.91 3hnl h ALA 40 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hnl h ALA 40 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3hnl h ALA 40 CO 0.08 0.00 0.52 2.35 0.00 0.00 0.00 179.25 182.21 3hnl h TRP 41 N 0.00 0.97 -0.01 0.00 2.91 -1.14 -1.51 115.95 117.17 3hnl h TRP 41 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3hnl h TRP 41 Cb 0.44 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 3hnl h TRP 41 CO 0.00 0.47 0.00 -1.13 -1.03 0.00 0.00 178.44 176.75 3hnl n SER 42 N -4.65 0.15 -4.85 2.65 3.41 -1.25 -4.81 113.62 104.27 3hnl n SER 42 Ca 0.13 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 57.16 3hnl n SER 42 Cb 0.21 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3hnl n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hnl s ALA 43 N -1.99 3.15 -0.27 7.33 0.00 -0.57 -5.07 121.76 124.35 3hnl s ALA 43 Ca 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 3hnl s ALA 43 Cb 0.17 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.33 3hnl s ALA 43 CO 0.29 -0.10 -0.01 0.99 0.00 0.00 0.00 175.76 176.93 3hnl s THR 44 N -2.47 3.18 0.51 0.00 2.01 -1.26 -4.99 115.64 112.62 3hnl s THR 44 Ca 0.57 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 3hnl s THR 44 Cb -0.10 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 3hnl s THR 44 CO 0.28 0.09 1.21 -2.16 -0.69 0.00 0.00 174.62 173.35 3hnl s PRO 45 N 1.35 3.43 0.34 4.92 0.04 -1.26 -4.87 135.00 138.94 3hnl s PRO 45 Ca -0.01 1.88 0.13 0.00 0.04 0.00 0.00 61.00 63.04 3hnl s PRO 45 Cb -0.18 -2.24 0.99 0.00 0.04 0.00 0.00 34.50 33.11 3hnl s PRO 45 CO -0.02 -0.85 1.71 -1.35 0.04 0.00 0.00 177.00 176.53 3hnl h PRO 46 N 1.61 0.45 0.00 0.56 0.11 -2.00 -0.56 132.00 132.19 3hnl h PRO 46 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hnl h PRO 46 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hnl h PRO 46 CO 0.58 0.30 0.00 1.63 -0.21 0.00 0.00 178.00 180.30 3hnl n LYS 47 N -4.89 0.23 -0.53 1.05 5.02 -1.26 -2.67 118.16 115.11 3hnl n LYS 47 Ca 0.28 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 57.00 3hnl n LYS 47 Cb 0.85 -1.86 0.29 0.00 -0.02 0.00 0.00 35.03 34.30 3hnl n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hnl n LEU 48 N -2.28 4.29 0.25 -0.35 4.77 -0.23 -4.68 117.00 118.77 3hnl n LEU 48 Ca 0.04 -2.84 0.13 0.00 -0.03 0.00 0.00 56.01 53.31 3hnl n LEU 48 Cb 0.32 -0.55 0.57 0.00 -2.33 0.00 0.00 43.42 41.43 3hnl n LEU 48 CO 0.24 0.68 0.89 -0.08 -1.33 0.00 0.00 177.39 177.80 3hnl h GLU 49 N 2.54 0.00 -0.02 3.23 4.81 -1.37 -2.12 114.58 121.64 3hnl h GLU 49 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hnl h GLU 49 Cb 1.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 3hnl h GLU 49 CO 0.26 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.27 3hnl n ASP 50 N -3.30 2.12 -4.91 1.04 5.75 -1.26 -4.91 116.55 111.07 3hnl n ASP 50 Ca 0.00 -1.71 -0.29 0.00 -0.01 0.00 0.00 54.79 52.78 3hnl n ASP 50 Cb 0.36 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.41 3hnl n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hnl s LYS 51 N -2.00 3.58 0.54 0.11 -0.14 -0.80 -5.09 119.74 115.94 3hnl s LYS 51 Ca 0.34 -0.18 -0.20 0.00 -1.36 0.00 0.00 55.97 54.57 3hnl s LYS 51 Cb 0.21 -2.82 -0.06 0.00 -1.68 0.00 0.00 37.83 33.48 3hnl s LYS 51 CO 0.32 0.41 1.13 -1.54 -0.76 0.00 0.00 175.35 174.91 3hnl s SER 52 N -2.81 5.77 0.43 2.83 1.04 -1.26 -4.93 113.70 114.77 3hnl s SER 52 Ca 0.40 2.18 0.18 0.00 0.48 0.00 0.00 55.95 59.20 3hnl s SER 52 Cb -0.11 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.53 3hnl s SER 52 CO 0.27 -1.19 1.88 -0.65 0.98 0.00 0.00 173.24 174.53 3hnl h PRO 53 N 1.27 0.36 -0.38 4.02 0.11 -1.98 -1.05 132.00 134.35 3hnl h PRO 53 Ca -0.50 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3hnl h PRO 53 Cb 1.26 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3hnl h PRO 53 CO 0.57 0.24 0.04 -0.25 -0.21 0.00 0.00 178.00 178.39 3hnl n ASP 54 N -4.48 3.69 -4.71 -2.05 8.00 -1.26 -4.52 116.55 111.22 3hnl n ASP 54 Ca 0.17 -3.27 -0.34 0.00 0.71 0.00 0.00 54.79 52.07 3hnl n ASP 54 Cb 0.66 -0.61 0.11 0.00 -0.02 0.00 0.00 41.12 41.25 3hnl n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hnl s SER 55 N -1.92 3.97 0.35 -2.24 1.04 -0.40 -4.81 113.70 109.69 3hnl s SER 55 Ca 0.46 2.36 0.08 0.00 0.48 0.00 0.00 55.95 59.32 3hnl s SER 55 Cb 0.38 -2.59 0.79 0.00 0.10 0.00 0.00 66.02 64.70 3hnl s SER 55 CO 0.07 -2.41 1.88 1.55 0.98 0.00 0.00 173.24 175.31 3hnl h PRO 56 N -0.53 0.71 -0.69 4.02 0.13 -1.95 -1.54 132.00 132.15 3hnl h PRO 56 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3hnl h PRO 56 Cb 1.30 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3hnl h PRO 56 CO 0.48 0.47 0.39 0.93 -0.23 0.00 0.00 178.00 180.04 3hnl h GLU 57 N 0.73 0.95 -0.37 0.86 3.07 -1.93 0.01 114.58 117.90 3hnl h GLU 57 Ca 0.44 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 3hnl h GLU 57 Cb 0.65 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3hnl h GLU 57 CO -0.20 0.71 -0.41 0.52 -1.40 0.00 0.00 179.01 178.23 3hnl h MET 58 N 0.94 0.92 -0.42 2.33 2.86 -1.68 0.11 114.93 120.00 3hnl h MET 58 Ca 0.24 -0.50 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3hnl h MET 58 Cb 0.02 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3hnl h MET 58 CO -0.04 1.16 0.16 0.45 1.06 0.00 0.00 176.91 179.70 3hnl h HIS 59 N 0.74 0.29 -0.42 -0.22 3.86 -1.22 -1.60 115.15 116.58 3hnl h HIS 59 Ca 0.05 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 3hnl h HIS 59 Cb 1.01 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 3hnl h HIS 59 CO 0.07 0.12 -0.21 0.22 0.86 0.00 0.00 177.93 178.99 3hnl h ASP 60 N 0.33 0.83 -0.06 2.45 3.58 -0.74 0.58 116.42 123.39 3hnl h ASP 60 Ca 0.19 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.37 3hnl h ASP 60 Cb 0.17 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3hnl h ASP 60 CO -0.19 1.01 -0.08 0.15 -2.88 0.00 0.00 179.24 177.26 3hnl h PHE 61 N 0.72 -0.19 -0.70 0.28 3.57 -0.65 -0.37 116.94 119.60 3hnl h PHE 61 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3hnl h PHE 61 Cb 0.73 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3hnl h PHE 61 CO 0.04 -0.12 0.32 0.00 -2.23 0.00 0.00 178.31 176.32 3hnl h ARG 62 N -0.10 1.01 -0.15 1.11 3.08 -1.00 -1.98 114.38 116.35 3hnl h ARG 62 Ca 0.05 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hnl h ARG 62 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3hnl h ARG 62 CO -0.12 0.79 0.05 1.25 -1.07 0.00 0.00 179.97 180.87 3hnl h HIS 63 N 1.00 0.20 -0.89 3.04 2.76 -0.40 -1.35 115.15 119.51 3hnl h HIS 63 Ca 0.24 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3hnl h HIS 63 Cb 0.13 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 3hnl h HIS 63 CO 0.01 0.17 0.53 0.78 -1.30 0.00 0.00 177.93 178.12 3hnl h GLY 64 N 0.32 1.30 1.66 5.26 0.00 -0.28 -0.13 103.07 111.20 3hnl h GLY 64 Ca 0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3hnl h GLY 64 CO -0.01 0.53 -0.38 0.74 0.00 0.00 0.00 176.54 177.43 3hnl h PHE 65 N 1.23 0.45 -0.29 5.60 0.05 -1.31 -2.72 116.94 119.94 3hnl h PHE 65 Ca 0.32 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 3hnl h PHE 65 Cb -0.04 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 3hnl h PHE 65 CO 0.00 0.71 0.14 2.35 -0.18 0.00 0.00 178.31 181.34 3hnl h TRP 66 N 0.32 0.42 -0.18 -0.55 2.91 -0.59 0.35 115.95 118.63 3hnl h TRP 66 Ca 0.03 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 3hnl h TRP 66 Cb 0.82 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 3hnl h TRP 66 CO 0.02 0.38 0.11 0.82 -1.03 0.00 0.00 178.44 178.74 3hnl h ILE 67 N 0.34 1.07 -0.61 2.65 2.04 -1.06 -2.24 117.51 119.70 3hnl h ILE 67 Ca 0.10 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3hnl h ILE 67 Cb 0.11 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hnl h ILE 67 CO -0.01 0.07 0.37 0.25 0.00 0.00 0.00 178.15 178.83 3hnl h LEU 68 N 0.22 0.61 -0.51 1.44 5.85 -1.30 -1.43 115.31 120.19 3hnl h LEU 68 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hnl h LEU 68 Cb 0.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3hnl h LEU 68 CO -0.01 0.42 0.33 0.40 -0.34 0.00 0.00 178.44 179.25 3hnl h ILE 69 N 0.73 1.14 -0.84 4.05 2.04 -0.75 0.14 117.51 124.02 3hnl h ILE 69 Ca 0.24 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3hnl h ILE 69 Cb 0.02 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 3hnl h ILE 69 CO -0.10 0.13 0.53 1.23 0.00 0.00 0.00 178.15 179.95 3hnl h GLY 70 N 0.69 1.25 1.52 5.37 0.00 -1.12 -2.25 103.07 108.53 3hnl h GLY 70 Ca 0.19 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.89 3hnl h GLY 70 CO -0.04 0.31 -0.93 1.46 0.00 0.00 0.00 176.54 177.34 3hnl h GLN 71 N 1.01 0.44 -0.85 4.80 4.20 -0.56 -1.44 115.11 122.70 3hnl h GLN 71 Ca 0.35 -0.46 0.03 0.00 0.06 0.00 0.00 58.65 58.63 3hnl h GLN 71 Cb 0.08 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3hnl h GLN 71 CO -0.14 1.11 0.55 0.82 -0.67 0.00 0.00 178.83 180.51 3hnl h ILE 72 N 0.25 1.16 -0.75 2.54 2.04 -0.71 -1.79 117.51 120.26 3hnl h ILE 72 Ca -0.08 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 3hnl h ILE 72 Cb 1.56 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3hnl h ILE 72 CO 0.16 0.20 0.24 -0.74 0.00 0.00 0.00 178.15 178.02 3hnl h HIS 73 N 1.09 1.19 -0.73 1.37 2.76 -1.11 -0.05 115.15 119.68 3hnl h HIS 73 Ca 0.33 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3hnl h HIS 73 Cb -0.04 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.54 3hnl h HIS 73 CO -0.02 0.93 0.48 -0.44 -1.30 0.00 0.00 177.93 177.59 3hnl h ASP 74 N 1.11 0.83 -0.39 3.26 3.45 -0.84 -0.89 116.42 122.95 3hnl h ASP 74 Ca 0.24 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 3hnl h ASP 74 Cb 0.29 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3hnl h ASP 74 CO -0.01 0.59 -0.13 0.00 -1.57 0.00 0.00 179.24 178.12 3hnl h ALA 75 N 1.28 0.90 -0.43 3.45 0.00 -0.94 -2.33 119.26 121.19 3hnl h ALA 75 Ca 0.27 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hnl h ALA 75 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hnl h ALA 75 CO -0.07 0.63 0.26 1.25 0.00 0.00 0.00 179.25 181.32 3hnl h LEU 76 N 0.76 0.43 -0.78 0.00 5.85 -0.43 -2.08 115.31 119.06 3hnl h LEU 76 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hnl h LEU 76 Cb 0.65 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3hnl h LEU 76 CO 0.05 0.30 0.46 0.45 -0.34 0.00 0.00 178.44 179.36 3hnl h HIS 77 N 0.53 1.04 -0.56 1.25 3.86 -0.99 -1.43 115.15 118.84 3hnl h HIS 77 Ca 0.17 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.45 3hnl h HIS 77 Cb 0.00 -0.34 -0.06 0.00 1.06 0.00 0.00 27.41 28.07 3hnl h HIS 77 CO -0.07 0.71 0.21 -0.07 0.86 0.00 0.00 177.93 179.57 3hnl h LEU 78 N 1.07 0.22 -0.73 2.43 3.38 -1.11 -1.56 115.31 119.02 3hnl h LEU 78 Ca 0.28 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hnl h LEU 78 Cb -0.02 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3hnl h LEU 78 CO -0.05 0.14 0.44 0.00 0.09 0.00 0.00 178.44 179.06 3hnl h ALA 79 N 1.37 0.93 0.00 1.53 0.00 -0.82 -0.88 119.26 121.38 3hnl h ALA 79 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hnl h ALA 79 Cb 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hnl h ALA 79 CO -0.27 0.40 -0.12 -0.91 0.00 0.00 0.00 179.25 178.35 3hnl h ASN 80 N 0.99 0.00 -0.04 0.00 4.21 -0.86 -0.88 115.58 119.00 3hnl h ASN 80 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 3hnl h ASN 80 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 3hnl h ASN 80 CO -0.05 0.12 0.00 -0.62 -1.29 0.00 0.00 177.43 175.59 3hnl n GLU 81 N -3.62 1.39 -1.01 0.81 1.02 -0.62 -4.91 120.64 113.69 3hnl n GLU 81 Ca -0.02 -0.58 -0.00 0.00 -0.02 0.00 0.00 57.16 56.54 3hnl n GLU 81 Cb 0.24 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3hnl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hnl n GLY 82 N 1.05 0.47 2.92 0.62 0.00 -0.34 -4.96 105.19 104.96 3hnl n GLY 82 Ca 0.19 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3hnl n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnl n LYS 83 N -2.88 3.80 0.14 1.61 5.02 -0.40 -4.85 118.16 120.60 3hnl n LYS 83 Ca -0.00 -3.78 -0.14 0.00 -2.02 0.00 0.00 58.31 52.37 3hnl n LYS 83 Cb 0.03 -2.83 -0.07 0.00 -0.02 0.00 0.00 35.03 32.13 3hnl n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hnl h VAL 84 N 3.70 0.76 -0.69 -0.18 2.07 -1.87 0.75 116.25 120.79 3hnl h VAL 84 Ca 0.35 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.79 3hnl h VAL 84 Cb 0.64 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hnl h VAL 84 CO 1.54 0.00 0.14 0.11 0.02 0.00 0.00 177.57 179.38 3hnl h LYS 85 N -0.30 1.13 -0.42 1.57 1.57 -1.98 -0.66 116.57 117.48 3hnl h LYS 85 Ca -0.02 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3hnl h LYS 85 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hnl h LYS 85 CO 0.03 1.01 0.01 1.49 -0.57 0.00 0.00 179.45 181.41 3hnl h GLU 86 N 1.06 0.68 -0.17 3.15 4.81 -1.90 -0.20 114.58 122.02 3hnl h GLU 86 Ca 0.21 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 3hnl h GLU 86 Cb 0.41 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3hnl h GLU 86 CO 0.01 0.69 -0.65 0.00 -0.73 0.00 0.00 179.01 178.33 3hnl h ALA 87 N 1.37 0.55 -0.75 2.92 0.00 -0.50 -0.59 119.26 122.26 3hnl h ALA 87 Ca 0.13 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3hnl h ALA 87 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hnl h ALA 87 CO 0.01 0.71 0.24 1.96 0.00 0.00 0.00 179.25 182.17 3hnl h GLN 88 N 0.45 1.16 -0.35 0.00 4.20 -0.86 -0.83 115.11 118.88 3hnl h GLN 88 Ca -0.02 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.33 3hnl h GLN 88 Cb 1.23 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3hnl h GLN 88 CO 0.13 0.98 -0.26 0.00 -0.67 0.00 0.00 178.83 179.00 3hnl h ALA 89 N 1.13 0.50 -0.85 3.87 0.00 -0.88 -1.80 119.26 121.23 3hnl h ALA 89 Ca 0.24 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hnl h ALA 89 Cb 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hnl h ALA 89 CO -0.01 0.50 0.56 0.00 0.00 0.00 0.00 179.25 180.31 3hnl h ALA 90 N 0.76 1.08 -0.45 0.00 0.00 -1.00 -2.07 119.26 117.58 3hnl h ALA 90 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hnl h ALA 90 Cb 0.83 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hnl h ALA 90 CO 0.07 0.48 0.21 0.00 0.00 0.00 0.00 179.25 180.01 3hnl h ALA 91 N 1.31 0.58 -0.90 0.00 0.00 -0.97 -2.53 119.26 116.76 3hnl h ALA 91 Ca 0.31 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3hnl h ALA 91 Cb -0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 3hnl h ALA 91 CO -0.07 0.16 0.56 0.93 0.00 0.00 0.00 179.25 180.82 3hnl h GLU 92 N 0.59 0.95 0.00 0.00 4.39 -1.12 -2.30 114.58 117.08 3hnl h GLU 92 Ca 0.15 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3hnl h GLU 92 Cb 0.14 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3hnl h GLU 92 CO -0.02 0.63 0.00 1.96 -1.16 0.00 0.00 179.01 180.42 3hnl h GLN 93 N 0.98 0.00 -0.17 2.33 1.08 -0.97 -2.61 115.11 115.75 3hnl h GLN 93 Ca 0.41 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.66 3hnl h GLN 93 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3hnl h GLN 93 CO -0.20 0.00 0.15 -0.07 -0.95 0.00 0.00 178.83 177.76 3hnl h LEU 94 N 0.00 0.00 -2.09 1.46 4.07 -1.07 -2.60 115.31 115.08 3hnl h LEU 94 Ca 0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 3hnl h LEU 94 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3hnl h LEU 94 CO 0.00 0.00 0.28 0.11 -1.08 0.00 0.00 178.44 177.75 3hnl h LYS 95 N 0.00 0.00 -0.52 1.13 1.57 -1.63 0.10 116.57 117.22 3hnl h LYS 95 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3hnl h LYS 95 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3hnl h LYS 95 CO -0.00 0.00 0.10 1.15 -0.57 0.00 0.00 179.45 180.13 3hnl h THR 96 N 0.00 1.23 0.12 -0.16 2.02 -1.71 0.11 112.91 114.51 3hnl h THR 96 Ca 0.15 -0.86 -0.27 0.00 0.77 0.00 0.00 66.41 66.20 3hnl h THR 96 Cb 0.71 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hnl h THR 96 CO -0.00 0.31 -1.22 0.74 0.37 0.00 0.00 175.52 175.73 3hnl h THR 97 N 0.78 1.48 -0.05 3.16 2.02 -1.03 -1.78 112.91 117.49 3hnl h THR 97 Ca 0.17 -2.98 0.02 0.00 0.77 0.00 0.00 66.41 64.39 3hnl h THR 97 Cb 0.33 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 3hnl h THR 97 CO 0.00 0.87 -0.08 0.00 0.37 0.00 0.00 175.52 176.69 3hnl h ASN 99 N -0.12 0.66 -0.71 0.00 -1.24 -0.81 -2.21 115.58 111.15 3hnl h ASN 99 Ca 0.05 -0.29 0.05 0.00 0.71 0.00 0.00 56.30 56.82 3hnl h ASN 99 Cb 0.18 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 3hnl h ASN 99 CO -0.12 0.97 0.43 0.00 -1.29 0.00 0.00 177.43 177.42 3hnl h ALA 100 N 1.06 0.95 -0.08 1.57 0.00 -1.26 0.14 119.26 121.64 3hnl h ALA 100 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3hnl h ALA 100 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hnl h ALA 100 CO 0.08 0.16 -0.27 0.00 0.00 0.00 0.00 179.25 179.22 3hnl h HIS 102 N -0.17 0.67 -0.83 0.00 -0.00 -1.02 0.13 115.15 113.93 3hnl h HIS 102 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3hnl h HIS 102 Cb 0.90 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 28.09 3hnl h HIS 102 CO 0.12 0.16 0.49 1.96 -0.00 0.00 0.00 177.93 180.66 3hnl h GLN 103 N 0.57 1.13 -0.00 2.45 1.08 -0.74 -0.13 115.11 119.46 3hnl h GLN 103 Ca 0.43 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 3hnl h GLN 103 Cb 0.58 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3hnl h GLN 103 CO -0.35 0.80 -0.33 0.87 -0.95 0.00 0.00 178.83 178.87 3hnl h LYS 104 N 1.14 0.23 0.00 1.46 1.57 -1.28 -3.42 116.57 116.27 3hnl h LYS 104 Ca 0.30 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hnl h LYS 104 Cb -0.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hnl h LYS 104 CO -0.05 0.96 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 3hnl n TYR 105 N -4.44 0.00 1.30 -1.35 0.53 0.37 -5.11 117.16 108.47 3hnl n TYR 105 Ca -0.10 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.91 3hnl n TYR 105 Cb 0.54 0.00 0.36 0.00 -1.03 0.00 0.00 39.34 39.21 3hnl n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71