#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hni s ASP 2 N 0.00 3.56 0.15 0.00 -4.77 -1.26 -4.87 116.67 109.48 3hni s ASP 2 Ca 0.00 0.47 -0.17 0.00 -3.30 0.00 0.00 52.55 49.55 3hni s ASP 2 Cb 0.00 -0.69 0.01 0.00 -1.09 0.00 0.00 42.92 41.15 3hni s ASP 2 CO 0.00 -2.47 1.79 0.25 0.70 0.00 0.00 175.17 175.44 3hni h LEU 3 N -1.46 0.31 -0.48 2.11 6.46 -1.95 -2.01 115.31 118.30 3hni h LEU 3 Ca -0.45 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.33 3hni h LEU 3 Cb 1.27 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 3hni h LEU 3 CO 0.48 0.23 0.30 -0.33 -0.62 0.00 0.00 178.44 178.50 3hni h GLU 4 N 0.40 0.58 -0.61 1.25 5.08 -1.98 0.38 114.58 119.68 3hni h GLU 4 Ca 0.14 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3hni h GLU 4 Cb 0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3hni h GLU 4 CO -0.07 0.38 0.22 -0.44 -1.00 0.00 0.00 179.01 178.11 3hni h ASP 5 N 0.60 0.86 -0.38 1.42 3.32 -1.89 -0.09 116.42 120.26 3hni h ASP 5 Ca 0.19 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3hni h ASP 5 Cb -0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3hni h ASP 5 CO -0.07 0.81 0.06 0.78 -1.72 0.00 0.00 179.24 179.10 3hni h ASN 6 N 0.85 0.67 -0.18 6.45 2.35 -1.08 -0.49 115.58 124.16 3hni h ASN 6 Ca 0.20 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 3hni h ASN 6 Cb 0.24 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hni h ASN 6 CO -0.01 0.70 -0.56 0.24 -1.65 0.00 0.00 177.43 176.15 3hni h MET 7 N 0.68 0.77 -0.27 0.81 2.86 -0.36 -0.90 114.93 118.52 3hni h MET 7 Ca 0.15 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3hni h MET 7 Cb 0.33 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3hni h MET 7 CO 0.01 1.12 0.15 1.49 1.06 0.00 0.00 176.91 180.74 3hni h GLU 8 N 0.59 0.38 -0.25 1.72 4.81 -0.82 0.55 114.58 121.55 3hni h GLU 8 Ca 0.01 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hni h GLU 8 Cb 1.15 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 3hni h GLU 8 CO 0.12 0.32 -0.13 1.15 -0.73 0.00 0.00 179.01 179.74 3hni h THR 9 N 0.33 0.60 -0.38 0.32 2.02 -0.97 0.20 112.91 115.02 3hni h THR 9 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3hni h THR 9 Cb 0.06 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3hni h THR 9 CO -0.02 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.93 3hni h LEU 10 N -0.10 0.13 -0.17 2.58 4.07 -0.99 -2.27 115.31 118.56 3hni h LEU 10 Ca 0.14 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 3hni h LEU 10 Cb 0.31 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3hni h LEU 10 CO -0.32 0.11 -0.03 -1.13 -1.08 0.00 0.00 178.44 175.99 3hni h ASN 11 N 0.28 0.33 -1.00 -0.43 -1.24 -0.31 -2.55 115.58 110.66 3hni h ASN 11 Ca 0.17 -0.35 0.02 0.00 0.71 0.00 0.00 56.30 56.85 3hni h ASN 11 Cb 0.16 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 3hni h ASN 11 CO -0.18 0.60 0.66 0.44 -1.29 0.00 0.00 177.43 177.66 3hni h ASP 12 N 0.04 1.13 1.58 1.15 5.19 -0.57 -2.91 116.42 122.04 3hni h ASP 12 Ca 0.05 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 3hni h ASP 12 Cb 0.46 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3hni h ASP 12 CO 0.02 0.80 -0.43 0.78 -3.12 0.00 0.00 179.24 177.29 3hni h ASN 13 N 1.33 0.00 -0.54 6.45 4.21 -1.39 -2.37 115.58 123.27 3hni h ASN 13 Ca 0.38 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.87 3hni h ASN 13 Cb -0.10 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 3hni h ASN 13 CO -0.09 0.30 0.26 0.25 -1.29 0.00 0.00 177.43 176.85 3hni h LEU 14 N 0.00 0.71 -0.57 1.61 5.85 -1.27 -1.60 115.31 120.05 3hni h LEU 14 Ca -0.01 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3hni h LEU 14 Cb 1.24 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3hni h LEU 14 CO 0.04 0.64 0.10 0.11 -0.34 0.00 0.00 178.44 178.99 3hni h LYS 15 N 0.73 0.94 -0.85 1.25 1.57 -1.38 -2.44 116.57 116.40 3hni h LYS 15 Ca 0.19 -0.25 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 3hni h LYS 15 Cb 0.12 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 3hni h LYS 15 CO -0.02 0.90 0.47 0.28 -0.57 0.00 0.00 179.45 180.51 3hni h VAL 16 N 0.84 0.84 -0.39 0.50 2.07 -1.23 -1.98 116.25 116.89 3hni h VAL 16 Ca 0.17 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3hni h VAL 16 Cb 0.41 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3hni h VAL 16 CO 0.01 0.14 -0.24 0.40 0.02 0.00 0.00 177.57 177.90 3hni h ILE 17 N 0.74 1.27 -0.70 4.57 2.04 -1.04 -1.63 117.51 122.78 3hni h ILE 17 Ca 0.43 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3hni h ILE 17 Cb 0.49 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3hni h ILE 17 CO -0.29 0.46 0.41 -0.33 0.00 0.00 0.00 178.15 178.40 3hni h GLU 18 N 0.69 0.95 0.00 2.37 5.08 -0.90 -2.82 114.58 119.95 3hni h GLU 18 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hni h GLU 18 Cb 0.76 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hni h GLU 18 CO 0.06 0.68 -0.17 1.63 -1.00 0.00 0.00 179.01 180.21 3hni n LYS 19 N -4.54 0.27 -1.74 2.33 5.02 -0.82 -4.96 118.16 113.73 3hni n LYS 19 Ca 0.06 0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 3hni n LYS 19 Cb 0.06 -1.77 0.04 0.00 -0.02 0.00 0.00 35.03 33.35 3hni n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hni n ALA 20 N -1.79 1.50 -0.04 7.82 0.00 -0.62 -4.96 120.51 122.42 3hni n ALA 20 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.62 3hni n ALA 20 Cb 0.43 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 3hni n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hni n ASP 21 N -1.01 1.40 -4.13 0.00 8.00 -1.26 -5.06 116.55 114.48 3hni n ASP 21 Ca 0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 3hni n ASP 21 Cb 0.45 1.34 -0.09 0.00 -0.02 0.00 0.00 41.12 42.79 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hni s ASN 22 N -4.25 0.20 0.25 -2.24 2.20 -1.26 -5.07 114.94 104.76 3hni s ASN 22 Ca -0.06 -1.36 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 3hni s ASN 22 Cb 0.08 0.41 0.29 0.00 -2.00 0.00 0.00 41.25 40.03 3hni s ASN 22 CO 0.63 -0.88 1.64 0.00 -2.94 0.00 0.00 177.10 175.55 3hni h ALA 23 N 2.56 0.95 -0.89 3.54 0.00 -1.92 -3.03 119.26 120.46 3hni h ALA 23 Ca -0.34 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.18 3hni h ALA 23 Cb 1.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3hni h ALA 23 CO 0.50 0.62 0.59 0.00 0.00 0.00 0.00 179.25 180.96 3hni h ALA 24 N 1.18 1.41 -0.38 0.00 0.00 -1.98 0.29 119.26 119.79 3hni h ALA 24 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3hni h ALA 24 Cb 0.82 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hni h ALA 24 CO 0.07 0.52 -0.37 1.96 0.00 0.00 0.00 179.25 181.42 3hni h GLN 25 N 1.15 0.92 -0.26 0.00 4.20 -1.96 -1.20 115.11 117.95 3hni h GLN 25 Ca 0.34 -0.48 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 3hni h GLN 25 Cb -0.04 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3hni h GLN 25 CO -0.09 1.14 -0.25 0.28 -0.67 0.00 0.00 178.83 179.24 3hni h VAL 26 N 0.74 1.31 -0.01 -0.54 2.07 -1.43 -2.04 116.25 116.34 3hni h VAL 26 Ca 0.06 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3hni h VAL 26 Cb 0.97 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3hni h VAL 26 CO 0.09 0.44 -0.19 0.11 0.02 0.00 0.00 177.57 178.05 3hni h LYS 27 N 0.36 -0.29 -0.42 1.57 1.57 -0.36 -0.28 116.57 118.72 3hni h LYS 27 Ca 0.04 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3hni h LYS 27 Cb 0.80 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 3hni h LYS 27 CO 0.06 -0.19 0.12 0.22 -0.57 0.00 0.00 179.45 179.09 3hni h ASP 28 N -0.30 0.10 -0.59 0.86 1.82 -1.23 -1.08 116.42 115.99 3hni h ASP 28 Ca 0.06 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 3hni h ASP 28 Cb 0.38 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 3hni h ASP 28 CO -0.19 0.09 0.39 0.00 -1.61 0.00 0.00 179.24 177.92 3hni h ALA 29 N 1.29 0.75 -0.51 -0.78 0.00 -1.03 -2.55 119.26 116.44 3hni h ALA 29 Ca 0.20 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3hni h ALA 29 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hni h ALA 29 CO -0.23 0.20 -0.18 -0.07 0.00 0.00 0.00 179.25 178.97 3hni h LEU 30 N 0.81 1.03 -0.50 0.00 3.38 -0.83 -1.88 115.31 117.31 3hni h LEU 30 Ca 0.22 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hni h LEU 30 Cb -0.08 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.31 3hni h LEU 30 CO -0.05 1.18 0.03 0.74 0.09 0.00 0.00 178.44 180.43 3hni h THR 31 N 0.88 0.64 -0.48 0.22 2.02 -1.07 0.65 112.91 115.77 3hni h THR 31 Ca 0.12 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 3hni h THR 31 Cb 0.76 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hni h THR 31 CO 0.06 0.03 -0.07 0.11 0.37 0.00 0.00 175.52 176.02 3hni h LYS 32 N 0.15 0.85 -0.35 6.66 1.57 -1.17 -2.61 116.57 121.68 3hni h LYS 32 Ca 0.26 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3hni h LYS 32 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hni h LYS 32 CO -0.39 0.89 0.17 0.52 -0.57 0.00 0.00 179.45 180.07 3hni h MET 33 N 0.77 0.50 -0.51 3.15 2.86 -0.71 -1.60 114.93 119.39 3hni h MET 33 Ca 0.14 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3hni h MET 33 Cb 0.56 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 3hni h MET 33 CO 0.03 0.45 0.18 0.00 1.06 0.00 0.00 176.91 178.63 3hni h ALA 34 N 1.02 0.62 -0.53 6.32 0.00 -0.76 0.11 119.26 126.05 3hni h ALA 34 Ca 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hni h ALA 34 Cb 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hni h ALA 34 CO -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3hni h ALA 35 N 1.34 1.01 -0.37 0.00 0.00 -1.28 -1.29 119.26 118.67 3hni h ALA 35 Ca 0.24 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hni h ALA 35 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hni h ALA 35 CO -0.25 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 3hni h ALA 36 N 1.17 0.52 -0.18 0.00 0.00 -0.73 -1.47 119.26 118.57 3hni h ALA 36 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hni h ALA 36 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hni h ALA 36 CO 0.02 0.50 0.09 0.00 0.00 0.00 0.00 179.25 179.86 3hni h ALA 37 N 0.78 0.24 -0.62 0.00 0.00 -0.64 -0.82 119.26 118.20 3hni h ALA 37 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 37 Cb 0.78 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3hni h ALA 37 CO 0.06 -0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.30 3hni h ALA 38 N 0.95 1.16 -0.01 0.00 0.00 -1.20 -2.41 119.26 117.74 3hni h ALA 38 Ca 0.06 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hni h ALA 38 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hni h ALA 38 CO -0.01 0.58 -0.51 0.22 0.00 0.00 0.00 179.25 179.53 3hni h ASP 39 N 0.92 0.04 0.85 0.00 3.58 -1.10 -2.90 116.42 117.81 3hni h ASP 39 Ca 0.20 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3hni h ASP 39 Cb 0.27 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3hni h ASP 39 CO -0.01 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 3hni h ALA 40 N 1.46 1.00 -0.85 -0.78 0.00 -0.63 -3.33 119.26 116.13 3hni h ALA 40 Ca -0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3hni h ALA 40 Cb 0.91 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 3hni h ALA 40 CO 0.07 0.00 0.14 2.35 0.00 0.00 0.00 179.25 181.81 3hni h TRP 41 N 0.00 0.18 -0.00 0.00 2.91 -1.37 -1.29 115.95 116.38 3hni h TRP 41 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3hni h TRP 41 Cb 0.42 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3hni h TRP 41 CO 0.00 -0.24 -0.08 -1.13 -1.03 0.00 0.00 178.44 175.96 3hni n SER 42 N -5.29 0.42 -4.78 2.65 3.41 -1.25 -4.92 113.62 103.85 3hni n SER 42 Ca 0.19 -0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 57.84 3hni n SER 42 Cb 0.62 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3hni n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hni s ALA 43 N -2.43 3.06 -0.23 7.33 0.00 -0.49 -5.05 121.76 123.95 3hni s ALA 43 Ca 0.31 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 3hni s ALA 43 Cb 0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3hni s ALA 43 CO 0.46 -0.22 0.11 0.95 0.00 0.00 0.00 175.76 177.05 3hni s THR 44 N -1.71 4.83 0.43 0.00 -4.23 -1.26 -5.03 115.64 108.67 3hni s THR 44 Ca 0.59 -0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.88 3hni s THR 44 Cb -0.21 -3.24 -0.10 0.00 1.34 0.00 0.00 72.50 70.29 3hni s THR 44 CO 0.26 0.36 1.00 -2.16 -0.54 0.00 0.00 174.62 173.54 3hni s PRO 45 N 1.20 4.12 0.41 3.99 0.04 -1.26 -4.92 135.00 138.57 3hni s PRO 45 Ca 0.06 1.33 0.14 0.00 0.04 0.00 0.00 61.00 62.56 3hni s PRO 45 Cb -0.14 -2.33 0.99 0.00 0.04 0.00 0.00 34.50 33.06 3hni s PRO 45 CO 0.04 -0.15 1.90 -1.35 0.04 0.00 0.00 177.00 177.49 3hni h PRO 46 N 2.12 0.48 0.00 0.56 0.11 -1.99 -0.30 132.00 132.98 3hni h PRO 46 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hni h PRO 46 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hni h PRO 46 CO 0.61 0.32 0.00 0.87 -0.21 0.00 0.00 178.00 179.59 3hni h LYS 47 N 0.49 0.00 -0.07 1.05 1.57 -1.93 -3.08 116.57 114.60 3hni h LYS 47 Ca 0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3hni h LYS 47 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3hni h LYS 47 CO -0.14 0.00 -0.02 1.28 -0.57 0.00 0.00 179.45 180.00 3hni n LEU 48 N -2.60 2.78 -0.13 2.94 4.77 -0.15 -4.71 117.00 119.91 3hni n LEU 48 Ca 0.01 -3.11 0.02 0.00 -0.03 0.00 0.00 56.01 52.90 3hni n LEU 48 Cb 0.25 -0.47 0.31 0.00 -2.33 0.00 0.00 43.42 41.19 3hni n LEU 48 CO 0.22 0.73 1.19 -0.33 -1.33 0.00 0.00 177.39 177.88 3hni h GLU 49 N 0.51 0.80 -0.00 3.23 5.08 -1.40 -2.40 114.58 120.39 3hni h GLU 49 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hni h GLU 49 Cb 1.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3hni h GLU 49 CO 0.06 0.54 -0.03 -0.40 -1.00 0.00 0.00 179.01 178.19 3hni n ASP 50 N -4.43 0.29 -4.90 1.42 5.68 -1.26 -4.82 116.55 108.52 3hni n ASP 50 Ca 0.06 -0.75 -0.31 0.00 -0.50 0.00 0.00 54.79 53.29 3hni n ASP 50 Cb 0.05 -0.08 -0.05 0.00 -1.14 0.00 0.00 41.12 39.90 3hni n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hni s LYS 51 N -2.26 3.64 0.48 0.11 -0.14 -0.91 -5.07 119.74 115.60 3hni s LYS 51 Ca 0.37 -0.05 -0.24 0.00 -1.36 0.00 0.00 55.97 54.69 3hni s LYS 51 Cb 0.21 -2.82 -0.07 0.00 -1.68 0.00 0.00 37.83 33.47 3hni s LYS 51 CO 0.42 0.44 1.41 -1.54 -0.76 0.00 0.00 175.35 175.31 3hni s SER 52 N -2.48 5.65 0.63 2.83 1.04 -1.26 -4.89 113.70 115.22 3hni s SER 52 Ca 0.42 2.88 0.36 0.00 0.48 0.00 0.00 55.95 60.09 3hni s SER 52 Cb -0.12 -2.65 2.04 0.00 0.10 0.00 0.00 66.02 65.39 3hni s SER 52 CO 0.25 -1.32 2.25 -0.65 0.98 0.00 0.00 173.24 174.74 3hni h PRO 53 N 2.02 0.00 -0.65 4.02 0.11 -1.95 -0.67 132.00 134.88 3hni h PRO 53 Ca -0.51 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.14 3hni h PRO 53 Cb 1.28 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.06 3hni h PRO 53 CO 0.60 0.00 -0.51 -3.47 -0.21 0.00 0.00 178.00 174.40 3hni n ASP 54 N -3.43 4.64 -4.80 -2.05 4.64 -1.26 -4.81 116.55 109.47 3hni n ASP 54 Ca -0.02 -3.78 -0.31 0.00 -1.38 0.00 0.00 54.79 49.30 3hni n ASP 54 Cb 0.14 -0.47 0.06 0.00 -1.04 0.00 0.00 41.12 39.82 3hni n ASP 54 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 3hni s SER 55 N -3.25 5.07 0.26 1.67 0.01 -0.26 -4.90 113.70 112.29 3hni s SER 55 Ca 0.50 1.64 -0.02 0.00 1.31 0.00 0.00 55.95 59.38 3hni s SER 55 Cb 0.42 -2.46 0.48 0.00 0.21 0.00 0.00 66.02 64.67 3hni s SER 55 CO 0.02 -1.65 1.79 -0.65 0.41 0.00 0.00 173.24 173.16 3hni h PRO 56 N -0.86 0.73 -0.60 12.44 0.11 -1.97 -0.86 132.00 140.99 3hni h PRO 56 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3hni h PRO 56 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hni h PRO 56 CO 0.56 0.48 0.04 0.93 -0.21 0.00 0.00 178.00 179.80 3hni h GLU 57 N 0.75 1.03 -0.38 1.05 3.07 -1.93 -1.16 114.58 117.01 3hni h GLU 57 Ca 0.44 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 3hni h GLU 57 Cb 0.51 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3hni h GLU 57 CO -0.30 0.98 -0.23 1.98 -1.40 0.00 0.00 179.01 180.05 3hni h MET 58 N 0.95 0.74 -0.42 2.33 4.05 -1.75 0.10 114.93 120.93 3hni h MET 58 Ca 0.18 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 3hni h MET 58 Cb 0.50 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 3hni h MET 58 CO 0.02 0.90 0.27 0.45 0.23 0.00 0.00 176.91 178.78 3hni h HIS 59 N 0.65 0.54 -0.31 1.39 3.86 -0.98 -1.79 115.15 118.52 3hni h HIS 59 Ca 0.09 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 3hni h HIS 59 Cb 0.73 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 3hni h HIS 59 CO 0.04 0.36 -0.37 0.22 0.86 0.00 0.00 177.93 179.04 3hni h ASP 60 N 0.56 0.74 0.08 2.45 3.58 -0.95 -0.97 116.42 121.92 3hni h ASP 60 Ca 0.15 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.30 3hni h ASP 60 Cb -0.04 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.77 3hni h ASP 60 CO -0.03 1.04 -0.29 0.15 -2.88 0.00 0.00 179.24 177.23 3hni h PHE 61 N 0.59 -0.77 0.00 0.28 3.57 -0.70 -2.85 116.94 117.05 3hni h PHE 61 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3hni h PHE 61 Cb 0.90 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3hni h PHE 61 CO 0.04 -0.39 -0.29 0.00 -2.23 0.00 0.00 178.31 175.45 3hni h ARG 62 N -0.48 0.00 -0.89 1.11 3.08 -1.23 -2.80 114.38 113.17 3hni h ARG 62 Ca 0.04 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3hni h ARG 62 Cb 0.53 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 3hni h ARG 62 CO -0.19 0.29 0.56 1.25 -1.07 0.00 0.00 179.97 180.81 3hni h HIS 63 N 0.00 1.04 -0.20 3.04 2.76 -0.94 -1.56 115.15 119.29 3hni h HIS 63 Ca -0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3hni h HIS 63 Cb 0.58 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3hni h HIS 63 CO 0.00 0.55 0.14 0.78 -1.30 0.00 0.00 177.93 178.09 3hni h GLY 64 N 1.04 0.21 1.16 5.26 0.00 -1.41 -1.60 103.07 107.73 3hni h GLY 64 Ca 0.38 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.49 3hni h GLY 64 CO -0.16 0.07 -0.26 0.74 0.00 0.00 0.00 176.54 176.93 3hni h PHE 65 N 0.20 1.10 -0.20 5.60 0.05 -1.40 -1.15 116.94 121.14 3hni h PHE 65 Ca 0.08 -0.28 0.05 0.00 3.82 0.00 0.00 57.97 61.64 3hni h PHE 65 Cb 0.08 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 37.73 3hni h PHE 65 CO -0.00 1.10 -0.13 -1.49 -0.18 0.00 0.00 178.31 177.61 3hni h TRP 66 N 0.81 -0.32 -0.70 -0.55 6.55 -0.84 0.22 115.95 121.13 3hni h TRP 66 Ca 0.10 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 3hni h TRP 66 Cb 0.84 0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 29.28 3hni h TRP 66 CO 0.05 -0.19 0.20 0.82 -1.05 0.00 0.00 178.44 178.27 3hni h ILE 67 N -0.12 1.26 -0.28 1.49 2.04 -1.31 -0.77 117.51 119.82 3hni h ILE 67 Ca 0.11 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3hni h ILE 67 Cb 0.29 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3hni h ILE 67 CO -0.27 0.35 0.12 0.25 0.00 0.00 0.00 178.15 178.61 3hni h LEU 68 N 1.04 0.17 -0.35 1.44 5.85 -0.96 -2.06 115.31 120.44 3hni h LEU 68 Ca 0.22 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hni h LEU 68 Cb 0.33 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3hni h LEU 68 CO -0.00 0.14 0.19 0.40 -0.34 0.00 0.00 178.44 178.82 3hni h ILE 69 N 0.27 1.14 -0.86 4.05 2.04 -0.17 -1.55 117.51 122.43 3hni h ILE 69 Ca 0.12 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3hni h ILE 69 Cb 0.05 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3hni h ILE 69 CO -0.09 0.15 0.54 1.23 0.00 0.00 0.00 178.15 179.98 3hni h GLY 70 N 0.43 1.28 1.10 5.37 0.00 -1.05 -0.67 103.07 109.54 3hni h GLY 70 Ca 0.12 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 3hni h GLY 70 CO -0.02 0.30 -0.27 1.46 0.00 0.00 0.00 176.54 178.02 3hni h GLN 71 N 1.02 0.96 -0.44 4.80 4.20 -1.03 -1.81 115.11 122.81 3hni h GLN 71 Ca 0.36 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3hni h GLN 71 Cb 0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3hni h GLN 71 CO -0.15 1.11 0.19 0.82 -0.67 0.00 0.00 178.83 180.13 3hni h ILE 72 N 0.80 1.20 -0.51 2.54 2.04 -1.05 -0.68 117.51 121.84 3hni h ILE 72 Ca 0.09 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.46 3hni h ILE 72 Cb 0.85 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 3hni h ILE 72 CO 0.08 0.22 0.05 -0.74 0.00 0.00 0.00 178.15 177.75 3hni h HIS 73 N 0.56 0.06 -0.28 1.37 2.76 -1.01 0.17 115.15 118.78 3hni h HIS 73 Ca 0.15 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.17 3hni h HIS 73 Cb 0.17 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3hni h HIS 73 CO -0.00 -0.07 -0.53 0.22 -1.30 0.00 0.00 177.93 176.24 3hni h ASP 74 N 0.17 0.91 -0.49 3.26 3.58 -1.03 -2.76 116.42 120.06 3hni h ASP 74 Ca 0.26 -0.48 -0.07 0.00 0.42 0.00 0.00 57.03 57.16 3hni h ASP 74 Cb 0.38 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3hni h ASP 74 CO -0.39 1.26 0.04 0.00 -2.88 0.00 0.00 179.24 177.27 3hni h ALA 75 N 0.76 1.04 -0.43 -0.78 0.00 -0.57 -2.16 119.26 117.13 3hni h ALA 75 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hni h ALA 75 Cb 1.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hni h ALA 75 CO 0.12 0.60 0.23 1.25 0.00 0.00 0.00 179.25 181.45 3hni h LEU 76 N 0.84 0.34 -0.72 0.00 5.85 -0.56 -1.07 115.31 119.99 3hni h LEU 76 Ca 0.16 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3hni h LEU 76 Cb 0.45 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3hni h LEU 76 CO 0.02 0.25 0.40 0.45 -0.34 0.00 0.00 178.44 179.21 3hni h HIS 77 N 0.46 0.73 -0.30 1.25 3.86 -1.12 0.18 115.15 120.21 3hni h HIS 77 Ca 0.18 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3hni h HIS 77 Cb 0.07 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3hni h HIS 77 CO -0.09 0.33 0.15 -0.07 0.86 0.00 0.00 177.93 179.10 3hni h LEU 78 N 0.71 0.39 -0.42 2.43 3.38 -0.89 -0.24 115.31 120.68 3hni h LEU 78 Ca 0.33 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3hni h LEU 78 Cb 0.25 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hni h LEU 78 CO -0.21 0.41 0.21 0.00 0.09 0.00 0.00 178.44 178.93 3hni h ALA 79 N 1.00 0.52 -0.94 1.53 0.00 -0.89 -1.43 119.26 119.06 3hni h ALA 79 Ca 0.10 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3hni h ALA 79 Cb 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3hni h ALA 79 CO -0.01 -0.15 0.60 -0.91 0.00 0.00 0.00 179.25 178.77 3hni h ASN 80 N 0.42 0.72 0.46 0.00 -0.26 -0.24 0.91 115.58 117.60 3hni h ASN 80 Ca 0.18 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3hni h ASN 80 Cb 0.09 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hni h ASN 80 CO -0.13 0.34 0.00 -0.62 -1.06 0.00 0.00 177.43 175.97 3hni n GLU 81 N -4.61 0.29 -0.72 0.81 1.02 -0.14 -4.87 120.64 112.42 3hni n GLU 81 Ca 0.19 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3hni n GLU 81 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3hni n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hni n GLY 82 N 0.66 0.63 3.23 0.62 0.00 0.31 -4.97 105.19 105.68 3hni n GLY 82 Ca 0.10 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3hni n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hni n LYS 83 N -2.72 3.43 0.31 1.61 5.02 -0.61 -4.84 118.16 120.36 3hni n LYS 83 Ca 0.00 -3.65 -0.17 0.00 -2.02 0.00 0.00 58.31 52.47 3hni n LYS 83 Cb 0.00 -3.04 -0.09 0.00 -0.02 0.00 0.00 35.03 31.89 3hni n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hni h VAL 84 N 4.35 0.46 -0.71 -0.18 2.07 -1.88 -0.74 116.25 119.63 3hni h VAL 84 Ca 0.36 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.91 3hni h VAL 84 Cb 0.77 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3hni h VAL 84 CO 1.42 0.00 0.41 0.11 0.02 0.00 0.00 177.57 179.53 3hni h LYS 85 N -0.76 0.73 -0.27 1.57 1.57 -1.98 0.10 116.57 117.54 3hni h LYS 85 Ca -0.08 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3hni h LYS 85 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hni h LYS 85 CO 0.12 0.48 -0.32 0.93 -0.57 0.00 0.00 179.45 180.10 3hni h GLU 86 N 0.75 0.56 -0.42 3.15 3.07 -1.94 0.41 114.58 120.16 3hni h GLU 86 Ca 0.31 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 3hni h GLU 86 Cb 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3hni h GLU 86 CO -0.18 0.81 -0.19 0.00 -1.40 0.00 0.00 179.01 178.05 3hni h ALA 87 N 1.17 0.59 -0.52 3.43 0.00 -0.59 -0.42 119.26 122.92 3hni h ALA 87 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3hni h ALA 87 Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hni h ALA 87 CO 0.06 0.55 0.18 1.96 0.00 0.00 0.00 179.25 182.01 3hni h GLN 88 N 0.69 0.75 -0.18 0.00 4.20 -0.51 -0.54 115.11 119.52 3hni h GLN 88 Ca 0.09 -0.12 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 3hni h GLN 88 Cb 0.76 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3hni h GLN 88 CO 0.06 0.64 -0.65 0.00 -0.67 0.00 0.00 178.83 178.21 3hni h ALA 89 N 1.46 0.50 -0.64 3.87 0.00 -0.77 -1.37 119.26 122.32 3hni h ALA 89 Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3hni h ALA 89 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hni h ALA 89 CO -0.01 0.70 0.32 0.00 0.00 0.00 0.00 179.25 180.26 3hni h ALA 90 N 0.77 1.36 -0.49 0.00 0.00 -0.81 -1.11 119.26 118.97 3hni h ALA 90 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hni h ALA 90 Cb 1.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hni h ALA 90 CO 0.13 0.51 0.15 0.00 0.00 0.00 0.00 179.25 180.04 3hni h ALA 91 N 1.45 0.65 -0.76 0.00 0.00 -0.96 -1.85 119.26 117.79 3hni h ALA 91 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hni h ALA 91 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hni h ALA 91 CO -0.03 0.31 0.49 0.93 0.00 0.00 0.00 179.25 180.95 3hni h GLU 92 N 0.67 0.93 -0.33 0.00 4.39 -0.80 -3.02 114.58 116.43 3hni h GLU 92 Ca 0.16 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3hni h GLU 92 Cb 0.28 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3hni h GLU 92 CO -0.00 0.62 -0.11 1.96 -1.16 0.00 0.00 179.01 180.32 3hni h GLN 93 N 0.96 0.55 0.00 2.33 4.20 -0.96 -2.75 115.11 119.45 3hni h GLN 93 Ca 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hni h GLN 93 Cb -0.02 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hni h GLN 93 CO -0.10 0.65 0.00 1.47 -0.67 0.00 0.00 178.83 180.18 3hni n LEU 94 N -4.20 0.00 0.20 1.46 -0.00 -0.72 -2.26 117.00 111.48 3hni n LEU 94 Ca 0.01 0.48 0.12 0.00 -0.00 0.00 0.00 56.01 56.62 3hni n LEU 94 Cb 0.32 -0.48 0.70 0.00 -0.00 0.00 0.00 43.42 43.96 3hni n LEU 94 CO 0.41 -0.17 1.11 0.11 -0.00 0.00 0.00 177.39 178.84 3hni h LYS 95 N 0.00 0.00 -0.98 1.47 1.57 -1.55 0.10 116.57 117.19 3hni h LYS 95 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3hni h LYS 95 Cb 0.31 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 3hni h LYS 95 CO 0.00 0.00 0.62 1.15 -0.57 0.00 0.00 179.45 180.65 3hni h THR 96 N 0.00 0.97 -0.14 -0.16 2.02 -1.66 0.11 112.91 114.05 3hni h THR 96 Ca 0.06 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 3hni h THR 96 Cb 0.26 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3hni h THR 96 CO -0.00 0.18 -0.11 0.74 0.37 0.00 0.00 175.52 176.70 3hni h THR 97 N 1.01 1.34 -0.25 3.16 2.02 -1.00 -1.07 112.91 118.12 3hni h THR 97 Ca 0.46 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.47 3hni h THR 97 Cb 0.40 1.83 -0.08 0.00 -1.74 0.00 0.00 68.15 68.56 3hni h THR 97 CO -0.22 0.36 -0.34 0.00 0.37 0.00 0.00 175.52 175.69 3hni h ASN 99 N -0.35 0.73 -0.72 0.00 -0.26 -0.79 -2.25 115.58 111.94 3hni h ASN 99 Ca 0.12 -0.27 0.06 0.00 -0.56 0.00 0.00 56.30 55.65 3hni h ASN 99 Cb 0.55 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.56 3hni h ASN 99 CO -0.44 0.82 0.41 0.00 -1.06 0.00 0.00 177.43 177.16 3hni h ALA 100 N 0.93 0.97 -0.27 -0.83 0.00 -1.10 0.14 119.26 119.11 3hni h ALA 100 Ca 0.13 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3hni h ALA 100 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hni h ALA 100 CO 0.01 0.10 -0.56 0.00 0.00 0.00 0.00 179.25 178.79 3hni h HIS 102 N 0.62 0.98 -0.92 0.00 -0.00 -0.81 0.12 115.15 115.14 3hni h HIS 102 Ca 0.00 -0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.44 3hni h HIS 102 Cb 1.18 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 28.21 3hni h HIS 102 CO 0.08 0.72 0.59 1.96 -0.00 0.00 0.00 177.93 181.28 3hni h GLN 103 N 0.96 0.88 0.06 2.45 4.20 -0.72 -1.81 115.11 121.13 3hni h GLN 103 Ca 0.24 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.56 3hni h GLN 103 Cb 0.09 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3hni h GLN 103 CO -0.03 0.58 -1.93 1.63 -0.67 0.00 0.00 178.83 178.41 3hni n LYS 104 N -4.54 0.70 0.00 1.46 5.02 -1.05 -4.76 118.16 114.98 3hni n LYS 104 Ca 0.16 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3hni n LYS 104 Cb 0.32 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3hni n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hni n TYR 105 N -3.24 0.00 1.56 2.13 0.53 0.38 -5.11 117.16 113.41 3hni n TYR 105 Ca -0.27 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.76 3hni n TYR 105 Cb 1.05 0.00 0.57 0.00 -1.03 0.00 0.00 39.34 39.94 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71