#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 3.62 0.13 0.00 1.47 -1.26 -4.87 116.67 115.76 3hni s ASP 2 Ca 0.00 0.19 -0.19 0.00 1.18 0.00 0.00 52.55 53.73 3hni s ASP 2 Cb 0.00 -0.38 -0.04 0.00 -0.34 0.00 0.00 42.92 42.15 3hni s ASP 2 CO 0.00 -2.40 1.77 0.25 0.68 0.00 0.00 175.17 175.48 3hni h LEU 3 N -1.28 0.22 -0.28 2.11 6.46 -1.95 -2.06 115.31 118.53 3hni h LEU 3 Ca -0.43 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.36 3hni h LEU 3 Cb 1.26 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 3hni h LEU 3 CO 0.42 0.16 0.13 -0.33 -0.62 0.00 0.00 178.44 178.21 3hni h GLU 4 N 0.28 0.27 -0.13 1.25 5.08 -1.98 0.63 114.58 119.98 3hni h GLU 4 Ca 0.09 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3hni h GLU 4 Cb -0.00 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3hni h GLU 4 CO -0.05 0.18 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.42 3hni h ASP 5 N 0.28 -0.88 -0.94 1.42 3.32 -1.92 0.45 116.42 118.14 3hni h ASP 5 Ca 0.12 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.37 3hni h ASP 5 Cb 0.05 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 3hni h ASP 5 CO -0.09 -0.33 0.61 0.78 -1.72 0.00 0.00 179.24 178.49 3hni h ASN 6 N -0.36 0.95 -0.20 6.45 2.35 -0.97 -0.64 115.58 123.16 3hni h ASN 6 Ca 0.10 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 3hni h ASN 6 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3hni h ASN 6 CO -0.33 0.60 -0.47 0.24 -1.65 0.00 0.00 177.43 175.82 3hni h MET 7 N 1.07 0.76 -0.36 0.81 2.86 -0.44 -1.12 114.93 118.51 3hni h MET 7 Ca 0.41 -0.44 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 3hni h MET 7 Cb 0.22 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3hni h MET 7 CO -0.16 1.06 -0.39 1.49 1.06 0.00 0.00 176.91 179.97 3hni h GLU 8 N 0.61 0.88 -0.28 1.72 4.57 -0.54 -0.19 114.58 121.35 3hni h GLU 8 Ca 0.03 -0.46 0.06 0.00 -1.18 0.00 0.00 59.36 57.81 3hni h GLU 8 Cb 1.04 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.59 3hni h GLU 8 CO 0.10 1.11 -0.06 1.15 -1.18 0.00 0.00 179.01 180.13 3hni h THR 9 N 0.72 0.73 -0.26 0.32 2.02 -1.04 0.17 112.91 115.56 3hni h THR 9 Ca 0.06 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3hni h THR 9 Cb 0.97 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3hni h THR 9 CO 0.09 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.90 3hni h LEU 10 N 0.01 -0.14 0.10 2.58 4.07 -1.04 -2.21 115.31 118.68 3hni h LEU 10 Ca 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 3hni h LEU 10 Cb 0.20 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3hni h LEU 10 CO -0.28 -0.04 -0.05 -1.13 -1.08 0.00 0.00 178.44 175.86 3hni h ASN 11 N 0.06 -0.12 -0.80 -0.43 -1.24 -0.54 -2.18 115.58 110.32 3hni h ASN 11 Ca 0.13 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.00 3hni h ASN 11 Cb 0.17 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 3hni h ASN 11 CO -0.23 0.07 0.52 0.44 -1.29 0.00 0.00 177.43 176.94 3hni h ASP 12 N -0.30 0.93 1.56 1.15 3.32 -0.64 -2.74 116.42 119.69 3hni h ASP 12 Ca -0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3hni h ASP 12 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hni h ASP 12 CO 0.02 0.68 -0.28 0.78 -1.72 0.00 0.00 179.24 178.72 3hni h ASN 13 N 1.09 0.00 -0.58 6.45 4.21 -1.37 -2.44 115.58 122.94 3hni h ASN 13 Ca 0.29 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.77 3hni h ASN 13 Cb -0.11 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.06 3hni h ASN 13 CO -0.06 0.28 0.23 0.25 -1.29 0.00 0.00 177.43 176.84 3hni h LEU 14 N 0.00 0.79 -0.56 1.61 5.85 -1.10 -1.97 115.31 119.94 3hni h LEU 14 Ca -0.00 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.39 3hni h LEU 14 Cb 1.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3hni h LEU 14 CO 0.04 0.74 -0.62 0.07 -0.34 0.00 0.00 178.44 178.33 3hni h LYS 15 N 0.79 0.37 -0.95 1.25 2.10 -1.40 -2.50 116.57 116.25 3hni h LYS 15 Ca 0.19 -0.26 0.10 0.00 -2.00 0.00 0.00 60.65 58.69 3hni h LYS 15 Cb 0.19 0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.48 3hni h LYS 15 CO -0.02 0.87 0.58 0.28 -2.00 0.00 0.00 179.45 179.17 3hni h VAL 16 N 0.27 0.94 -0.45 0.07 2.07 -1.31 -1.94 116.25 115.90 3hni h VAL 16 Ca -0.01 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3hni h VAL 16 Cb 1.15 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3hni h VAL 16 CO 0.10 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 178.26 3hni h ILE 17 N 0.96 1.26 -0.78 4.57 2.04 -1.05 -2.03 117.51 122.48 3hni h ILE 17 Ca 0.46 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3hni h ILE 17 Cb 0.40 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3hni h ILE 17 CO -0.25 0.37 0.31 -0.08 0.00 0.00 0.00 178.15 178.50 3hni h GLU 18 N 0.64 1.17 0.00 2.37 4.81 -0.99 -2.78 114.58 119.80 3hni h GLU 18 Ca 0.13 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3hni h GLU 18 Cb 0.51 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3hni h GLU 18 CO 0.03 0.95 -0.14 1.63 -0.73 0.00 0.00 179.01 180.74 3hni n LYS 19 N -4.30 0.05 -1.79 1.92 4.01 -0.78 -4.95 118.16 112.32 3hni n LYS 19 Ca 0.07 0.03 -0.38 0.00 -0.51 0.00 0.00 58.31 57.52 3hni n LYS 19 Cb 0.18 -1.55 0.04 0.00 -0.51 0.00 0.00 35.03 33.19 3hni n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hni s ALA 20 N -3.02 2.81 -0.20 7.82 0.00 -0.77 -4.96 121.76 123.43 3hni s ALA 20 Ca 0.12 1.32 0.12 0.00 0.00 0.00 0.00 51.96 53.52 3hni s ALA 20 Cb 0.17 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3hni s ALA 20 CO 0.59 -1.36 0.34 -0.25 0.00 0.00 0.00 175.76 175.07 3hni n ASP 21 N -1.04 1.66 -4.13 0.00 10.43 -1.26 -5.06 116.55 117.16 3hni n ASP 21 Ca 0.10 -0.27 -0.11 0.00 2.57 0.00 0.00 54.79 57.08 3hni n ASP 21 Cb 0.45 1.35 -0.09 0.00 1.84 0.00 0.00 41.12 44.68 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hni s ASN 22 N -2.92 0.09 0.24 -2.24 2.20 -1.26 -5.07 114.94 105.98 3hni s ASN 22 Ca -0.01 -1.23 0.03 0.00 -0.94 0.00 0.00 52.86 50.71 3hni s ASN 22 Cb 0.08 0.44 0.26 0.00 -2.00 0.00 0.00 41.25 40.02 3hni s ASN 22 CO 0.49 -0.92 1.57 0.00 -2.94 0.00 0.00 177.10 175.30 3hni h ALA 23 N 2.53 0.86 -0.72 3.54 0.00 -1.93 -3.12 119.26 120.42 3hni h ALA 23 Ca -0.33 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.12 3hni h ALA 23 Cb 1.25 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3hni h ALA 23 CO 0.48 0.70 0.42 0.00 0.00 0.00 0.00 179.25 180.85 3hni h ALA 24 N 1.18 0.97 -0.58 0.00 0.00 -1.98 0.32 119.26 119.17 3hni h ALA 24 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 24 Cb 1.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hni h ALA 24 CO 0.09 0.14 0.12 1.96 0.00 0.00 0.00 179.25 181.56 3hni h GLN 25 N 0.79 0.95 -0.12 0.00 4.20 -1.97 -1.06 115.11 117.90 3hni h GLN 25 Ca 0.31 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3hni h GLN 25 Cb 0.15 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hni h GLN 25 CO -0.16 0.89 -0.06 0.28 -0.67 0.00 0.00 178.83 179.11 3hni h VAL 26 N 0.86 1.32 -0.36 -0.54 2.07 -1.40 -2.28 116.25 115.93 3hni h VAL 26 Ca 0.18 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3hni h VAL 26 Cb 0.38 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3hni h VAL 26 CO 0.01 0.32 -0.19 0.11 0.02 0.00 0.00 177.57 177.83 3hni h LYS 27 N -0.09 -0.13 -0.63 1.57 1.57 -0.31 -0.47 116.57 118.08 3hni h LYS 27 Ca 0.03 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hni h LYS 27 Cb 0.53 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3hni h LYS 27 CO 0.02 -0.09 0.41 0.22 -0.57 0.00 0.00 179.45 179.44 3hni h ASP 28 N -0.14 0.69 -0.44 0.86 1.82 -1.16 -1.32 116.42 116.74 3hni h ASP 28 Ca 0.18 -0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.67 3hni h ASP 28 Cb 0.41 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 3hni h ASP 28 CO -0.44 0.50 -0.23 0.00 -1.61 0.00 0.00 179.24 177.45 3hni h ALA 29 N 1.24 0.71 -0.47 -0.78 0.00 -0.89 -2.49 119.26 116.59 3hni h ALA 29 Ca 0.24 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hni h ALA 29 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hni h ALA 29 CO -0.06 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.64 3hni h LEU 30 N 0.82 0.94 -0.50 0.00 3.38 -0.93 -1.74 115.31 117.28 3hni h LEU 30 Ca 0.10 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3hni h LEU 30 Cb 0.80 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 3hni h LEU 30 CO 0.07 1.10 -0.06 0.74 0.09 0.00 0.00 178.44 180.38 3hni h THR 31 N 0.78 0.56 -0.54 0.22 2.02 -1.16 0.41 112.91 115.20 3hni h THR 31 Ca 0.12 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3hni h THR 31 Cb 0.70 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3hni h THR 31 CO 0.05 0.01 -0.02 0.11 0.37 0.00 0.00 175.52 176.05 3hni h LYS 32 N 0.06 0.93 -0.50 6.66 1.57 -1.28 -2.51 116.57 121.50 3hni h LYS 32 Ca 0.25 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hni h LYS 32 Cb 0.38 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hni h LYS 32 CO -0.46 0.93 0.29 0.52 -0.57 0.00 0.00 179.45 180.16 3hni h MET 33 N 0.86 0.69 -0.50 3.15 2.86 -0.83 -1.73 114.93 119.44 3hni h MET 33 Ca 0.16 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3hni h MET 33 Cb 0.53 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 3hni h MET 33 CO 0.03 0.53 0.23 0.00 1.06 0.00 0.00 176.91 178.76 3hni h ALA 34 N 1.13 0.63 -0.61 6.32 0.00 -0.70 0.37 119.26 126.39 3hni h ALA 34 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hni h ALA 34 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hni h ALA 34 CO -0.03 -0.13 0.13 0.00 0.00 0.00 0.00 179.25 179.22 3hni h ALA 35 N 1.28 0.81 -0.53 0.00 0.00 -1.30 -0.93 119.26 118.59 3hni h ALA 35 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hni h ALA 35 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hni h ALA 35 CO -0.17 0.54 0.09 0.00 0.00 0.00 0.00 179.25 179.70 3hni h ALA 36 N 1.03 0.70 -0.27 0.00 0.00 -0.90 -0.90 119.26 118.91 3hni h ALA 36 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hni h ALA 36 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hni h ALA 36 CO 0.01 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.72 3hni h ALA 37 N 0.98 0.36 -0.95 0.00 0.00 -0.81 -1.08 119.26 117.76 3hni h ALA 37 Ca 0.16 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hni h ALA 37 Cb 0.40 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3hni h ALA 37 CO 0.01 0.07 0.62 0.00 0.00 0.00 0.00 179.25 179.95 3hni h ALA 38 N 0.85 1.26 0.00 0.00 0.00 -1.13 -2.25 119.26 117.99 3hni h ALA 38 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 38 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hni h ALA 38 CO 0.01 0.49 -0.46 0.22 0.00 0.00 0.00 179.25 179.50 3hni h ASP 39 N 1.19 0.00 1.09 0.00 3.58 -1.00 -2.91 116.42 118.37 3hni h ASP 39 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 3hni h ASP 39 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3hni h ASP 39 CO -0.12 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.70 3hni h ALA 40 N 1.54 1.00 -0.94 -0.78 0.00 -0.59 -3.34 119.26 116.15 3hni h ALA 40 Ca -0.00 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.14 3hni h ALA 40 Cb 0.94 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 3hni h ALA 40 CO 0.06 0.00 0.48 2.35 0.00 0.00 0.00 179.25 182.14 3hni h TRP 41 N 0.00 0.80 -0.01 0.00 7.01 -1.31 -1.40 115.95 121.04 3hni h TRP 41 Ca 0.00 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3hni h TRP 41 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3hni h TRP 41 CO 0.00 -0.02 -0.04 -1.13 -2.79 0.00 0.00 178.44 174.46 3hni n SER 42 N -4.99 1.01 -4.81 2.65 3.41 -1.25 -4.93 113.62 104.70 3hni n SER 42 Ca 0.25 -1.22 -0.33 0.00 -0.26 0.00 0.00 58.87 57.30 3hni n SER 42 Cb 0.71 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.11 2.95 -0.27 7.33 0.00 -0.53 -5.05 121.76 124.09 3hni s ALA 43 Ca 0.38 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 3hni s ALA 43 Cb 0.21 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3hni s ALA 43 CO 0.38 -0.13 0.05 0.99 0.00 0.00 0.00 175.76 177.05 3hni s THR 44 N -2.12 3.86 0.49 0.00 2.01 -1.26 -5.03 115.64 113.59 3hni s THR 44 Ca 0.64 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 3hni s THR 44 Cb -0.13 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.41 3hni s THR 44 CO 0.18 0.21 1.15 -2.16 -0.69 0.00 0.00 174.62 173.31 3hni s PRO 45 N 1.51 3.63 0.38 4.92 0.04 -1.26 -4.90 135.00 139.32 3hni s PRO 45 Ca 0.04 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.93 3hni s PRO 45 Cb -0.16 -2.28 0.94 0.00 0.04 0.00 0.00 34.50 33.03 3hni s PRO 45 CO 0.01 -0.65 1.85 -1.35 0.04 0.00 0.00 177.00 176.91 3hni h PRO 46 N 1.78 0.55 0.00 0.56 0.11 -1.99 -0.53 132.00 132.47 3hni h PRO 46 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hni h PRO 46 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hni h PRO 46 CO 0.59 0.36 0.00 0.87 -0.21 0.00 0.00 178.00 179.61 3hni h LYS 47 N 0.56 0.00 -0.14 1.05 1.79 -1.92 -3.02 116.57 114.89 3hni h LYS 47 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 3hni h LYS 47 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3hni h LYS 47 CO -0.21 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.44 3hni n LEU 48 N -2.38 3.05 0.02 2.94 4.77 -0.23 -4.70 117.00 120.47 3hni n LEU 48 Ca 0.02 -2.89 0.04 0.00 -0.03 0.00 0.00 56.01 53.15 3hni n LEU 48 Cb 0.26 -0.43 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 3hni n LEU 48 CO 0.22 0.68 1.15 -0.33 -1.33 0.00 0.00 177.39 177.77 3hni h GLU 49 N 0.96 0.50 0.00 3.23 5.08 -1.36 -1.95 114.58 121.03 3hni h GLU 49 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hni h GLU 49 Cb 1.14 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hni h GLU 49 CO 0.10 0.34 0.00 -0.40 -1.00 0.00 0.00 179.01 178.04 3hni n ASP 50 N -4.47 0.32 -4.88 1.42 5.68 -1.26 -4.82 116.55 108.53 3hni n ASP 50 Ca 0.03 0.56 -0.31 0.00 -0.50 0.00 0.00 54.79 54.56 3hni n ASP 50 Cb 0.07 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.37 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 -3.10 3.74 0.41 0.11 -0.14 -0.73 -5.06 119.74 114.96 3hni s LYS 51 Ca 0.08 0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.59 3hni s LYS 51 Cb 0.12 -2.69 -0.10 0.00 -1.68 0.00 0.00 37.83 33.48 3hni s LYS 51 CO 0.41 0.34 1.37 0.45 -0.76 0.00 0.00 175.35 177.16 3hni n SER 52 N -0.20 3.09 0.15 2.83 2.88 -1.26 -4.89 113.62 116.23 3hni n SER 52 Ca -0.00 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.87 3hni n SER 52 Cb 0.52 -1.56 0.78 0.00 -0.75 0.00 0.00 64.21 63.20 3hni n SER 52 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hni h PRO 53 N 2.38 0.00 -0.70 -1.46 0.11 -1.95 -1.57 132.00 128.81 3hni h PRO 53 Ca -0.49 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.11 3hni h PRO 53 Cb 1.27 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.97 3hni h PRO 53 CO 0.61 0.00 -0.84 -0.25 -0.21 0.00 0.00 178.00 177.31 3hni n ASP 54 N -3.61 4.53 -4.83 -2.05 9.92 -1.26 -4.81 116.55 114.45 3hni n ASP 54 Ca 0.05 -3.59 -0.32 0.00 -0.53 0.00 0.00 54.79 50.40 3hni n ASP 54 Cb 0.51 -0.36 0.02 0.00 -0.64 0.00 0.00 41.12 40.66 3hni n ASP 54 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3hni s SER 55 N -3.61 5.81 0.28 -2.24 1.04 -0.59 -4.91 113.70 109.49 3hni s SER 55 Ca 0.48 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.56 3hni s SER 55 Cb 0.40 -2.50 0.68 0.00 0.10 0.00 0.00 66.02 64.69 3hni s SER 55 CO 0.03 -1.15 1.66 -0.65 0.98 0.00 0.00 173.24 174.11 3hni h PRO 56 N -0.11 0.25 -0.65 4.02 0.11 -1.97 -1.15 132.00 132.50 3hni h PRO 56 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3hni h PRO 56 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3hni h PRO 56 CO 0.58 0.16 0.17 0.93 -0.21 0.00 0.00 178.00 179.64 3hni h GLU 57 N 0.26 1.03 -0.05 1.05 3.07 -1.93 -0.72 114.58 117.29 3hni h GLU 57 Ca 0.53 -0.24 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 3hni h GLU 57 Cb 1.04 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 3hni h GLU 57 CO -0.61 0.93 -0.63 0.52 -1.40 0.00 0.00 179.01 177.81 3hni h MET 58 N 0.96 0.18 -0.44 2.33 2.86 -1.72 0.89 114.93 119.99 3hni h MET 58 Ca 0.20 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 3hni h MET 58 Cb 0.35 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3hni h MET 58 CO 0.00 0.75 -0.23 0.45 1.06 0.00 0.00 176.91 178.94 3hni h HIS 59 N 0.13 1.09 -0.30 -0.22 3.86 -1.00 -1.78 115.15 116.92 3hni h HIS 59 Ca -0.01 -0.28 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 3hni h HIS 59 Cb 1.14 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3hni h HIS 59 CO 0.02 1.08 -0.25 0.22 0.86 0.00 0.00 177.93 179.86 3hni h ASP 60 N 0.78 0.60 0.36 2.45 3.58 -0.85 -0.58 116.42 122.76 3hni h ASP 60 Ca 0.10 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 3hni h ASP 60 Cb 0.81 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 3hni h ASP 60 CO 0.07 0.84 -0.43 0.15 -2.88 0.00 0.00 179.24 176.99 3hni h PHE 61 N 0.52 -1.18 0.00 0.28 3.57 -0.75 -2.69 116.94 116.69 3hni h PHE 61 Ca 0.07 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hni h PHE 61 Cb 0.71 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3hni h PHE 61 CO 0.03 -0.57 -0.10 0.00 -2.23 0.00 0.00 178.31 175.43 3hni h ARG 62 N -0.82 0.00 -0.99 1.11 3.08 -1.15 -2.51 114.38 113.10 3hni h ARG 62 Ca -0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3hni h ARG 62 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 3hni h ARG 62 CO -0.11 0.10 0.66 1.25 -1.07 0.00 0.00 179.97 180.81 3hni h HIS 63 N 0.00 1.24 -0.68 3.04 2.76 -0.76 -1.94 115.15 118.81 3hni h HIS 63 Ca -0.00 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3hni h HIS 63 Cb 0.32 -0.42 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 3hni h HIS 63 CO 0.00 0.77 0.45 0.78 -1.30 0.00 0.00 177.93 178.63 3hni h GLY 64 N 1.33 0.89 1.41 5.26 0.00 -1.37 -1.22 103.07 109.38 3hni h GLY 64 Ca 0.37 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3hni h GLY 64 CO -0.09 0.22 -0.26 0.74 0.00 0.00 0.00 176.54 177.15 3hni h PHE 65 N 0.72 0.77 -0.51 5.60 0.05 -1.46 -1.22 116.94 120.88 3hni h PHE 65 Ca 0.29 -0.18 0.04 0.00 3.82 0.00 0.00 57.97 61.94 3hni h PHE 65 Cb 0.24 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 37.97 3hni h PHE 65 CO -0.00 0.87 0.28 -1.49 -0.18 0.00 0.00 178.31 177.79 3hni h TRP 66 N 0.59 0.52 -0.20 -0.55 6.55 -0.84 0.72 115.95 122.74 3hni h TRP 66 Ca 0.08 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 3hni h TRP 66 Cb 0.74 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 3hni h TRP 66 CO 0.03 0.27 0.11 0.82 -1.05 0.00 0.00 178.44 178.62 3hni h ILE 67 N 0.55 1.11 -0.47 1.49 2.04 -1.19 -0.32 117.51 120.71 3hni h ILE 67 Ca 0.22 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3hni h ILE 67 Cb 0.09 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hni h ILE 67 CO -0.13 0.11 0.30 0.25 0.00 0.00 0.00 178.15 178.67 3hni h LEU 68 N 0.21 0.56 -0.41 1.44 5.85 -1.03 -1.47 115.31 120.46 3hni h LEU 68 Ca 0.07 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hni h LEU 68 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hni h LEU 68 CO -0.01 0.44 0.17 0.40 -0.34 0.00 0.00 178.44 179.10 3hni h ILE 69 N 0.63 1.19 -0.70 4.05 2.04 -0.63 -1.00 117.51 123.10 3hni h ILE 69 Ca 0.17 -0.58 0.11 0.00 1.00 0.00 0.00 64.86 65.57 3hni h ILE 69 Cb -0.03 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 3hni h ILE 69 CO -0.03 0.21 0.29 1.23 0.00 0.00 0.00 178.15 179.85 3hni h GLY 70 N 0.52 1.03 1.01 5.37 0.00 -0.86 -0.42 103.07 109.72 3hni h GLY 70 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 3hni h GLY 70 CO -0.01 -0.03 -0.25 1.46 0.00 0.00 0.00 176.54 177.71 3hni h GLN 71 N 0.48 0.79 -0.22 4.80 4.20 -0.73 -1.70 115.11 122.72 3hni h GLN 71 Ca 0.36 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hni h GLN 71 Cb 0.47 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3hni h GLN 71 CO -0.33 1.01 0.15 0.82 -0.67 0.00 0.00 178.83 179.80 3hni h ILE 72 N 0.57 1.06 -0.51 2.54 2.04 -1.04 -0.47 117.51 121.70 3hni h ILE 72 Ca 0.07 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.93 3hni h ILE 72 Cb 0.81 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.52 3hni h ILE 72 CO 0.07 0.06 -0.20 -0.74 0.00 0.00 0.00 178.15 177.33 3hni h HIS 73 N 0.30 -0.49 -0.32 1.37 2.76 -0.91 0.75 115.15 118.61 3hni h HIS 73 Ca 0.08 0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 3hni h HIS 73 Cb -0.03 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3hni h HIS 73 CO -0.06 -0.29 -0.22 0.22 -1.30 0.00 0.00 177.93 176.27 3hni h ASP 74 N -0.08 0.75 -0.68 3.26 1.82 -1.09 -2.87 116.42 117.53 3hni h ASP 74 Ca 0.24 -0.44 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 3hni h ASP 74 Cb 0.45 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 3hni h ASP 74 CO -0.57 1.03 0.41 0.00 -1.61 0.00 0.00 179.24 178.50 3hni h ALA 75 N 0.75 1.41 -0.70 -0.78 0.00 -0.44 -1.77 119.26 117.73 3hni h ALA 75 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hni h ALA 75 Cb 0.78 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hni h ALA 75 CO 0.06 0.50 0.24 1.25 0.00 0.00 0.00 179.25 181.30 3hni h LEU 76 N 0.96 1.01 -0.35 0.00 5.85 -0.77 -0.94 115.31 121.06 3hni h LEU 76 Ca 0.25 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3hni h LEU 76 Cb -0.02 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 3hni h LEU 76 CO -0.05 0.94 0.09 0.45 -0.34 0.00 0.00 178.44 179.52 3hni h HIS 77 N 1.02 0.15 -0.42 1.25 3.86 -1.13 0.24 115.15 120.12 3hni h HIS 77 Ca 0.23 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 3hni h HIS 77 Cb 0.27 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 3hni h HIS 77 CO 0.02 0.04 0.19 -0.07 0.86 0.00 0.00 177.93 178.97 3hni h LEU 78 N 0.21 0.27 -0.55 2.43 3.38 -0.92 -0.11 115.31 120.02 3hni h LEU 78 Ca 0.17 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hni h LEU 78 Cb 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3hni h LEU 78 CO -0.20 0.19 0.34 0.00 0.09 0.00 0.00 178.44 178.86 3hni h ALA 79 N 1.24 0.71 -0.89 1.53 0.00 -0.83 -1.06 119.26 119.95 3hni h ALA 79 Ca 0.18 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.17 3hni h ALA 79 Cb 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 3hni h ALA 79 CO -0.15 0.18 0.58 -0.91 0.00 0.00 0.00 179.25 178.95 3hni h ASN 80 N 0.75 0.66 0.30 0.00 -0.26 0.06 0.10 115.58 117.18 3hni h ASN 80 Ca 0.20 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hni h ASN 80 Cb -0.03 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3hni h ASN 80 CO -0.04 0.33 0.00 -0.62 -1.06 0.00 0.00 177.43 176.04 3hni n GLU 81 N -4.56 0.57 -0.84 0.81 1.02 -0.11 -4.87 120.64 112.65 3hni n GLU 81 Ca 0.17 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3hni n GLU 81 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.86 0.54 3.11 0.62 0.00 0.35 -4.97 105.19 105.70 3hni n GLY 82 Ca 0.16 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.84 3.68 0.45 1.61 5.02 -0.47 -4.84 118.16 120.76 3hni n LYS 83 Ca 0.00 -3.87 -0.19 0.00 -2.02 0.00 0.00 58.31 52.22 3hni n LYS 83 Cb 0.00 -2.86 -0.09 0.00 -0.02 0.00 0.00 35.03 32.06 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 3.94 0.17 -0.67 -0.18 2.07 -1.88 -0.66 116.25 119.05 3hni h VAL 84 Ca 0.32 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 3hni h VAL 84 Cb 0.72 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3hni h VAL 84 CO 1.41 0.00 0.36 0.11 0.02 0.00 0.00 177.57 179.48 3hni h LYS 85 N -1.13 0.65 -0.06 1.57 1.57 -1.98 0.15 116.57 117.34 3hni h LYS 85 Ca -0.11 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3hni h LYS 85 Cb 0.87 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3hni h LYS 85 CO 0.19 0.43 -0.55 1.05 -0.57 0.00 0.00 179.45 179.99 3hni h GLU 86 N 0.67 0.16 -0.49 3.15 9.09 -1.95 -0.14 114.58 125.08 3hni h GLU 86 Ca 0.31 -0.10 -0.13 0.00 0.05 0.00 0.00 59.36 59.48 3hni h GLU 86 Cb 0.22 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 3hni h GLU 86 CO -0.20 0.67 -0.21 0.00 0.05 0.00 0.00 179.01 179.32 3hni h ALA 87 N 1.31 0.68 -0.95 1.06 0.00 -0.50 -0.48 119.26 120.39 3hni h ALA 87 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hni h ALA 87 Cb 1.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3hni h ALA 87 CO 0.08 0.67 0.59 1.96 0.00 0.00 0.00 179.25 182.55 3hni h GLN 88 N 0.86 1.28 -0.24 0.00 4.20 -0.37 -1.33 115.11 119.52 3hni h GLN 88 Ca 0.11 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3hni h GLN 88 Cb 0.80 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3hni h GLN 88 CO 0.07 0.89 -0.11 0.00 -0.67 0.00 0.00 178.83 179.00 3hni h ALA 89 N 1.34 0.34 -0.63 3.87 0.00 -0.86 -1.05 119.26 122.26 3hni h ALA 89 Ca 0.34 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hni h ALA 89 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3hni h ALA 89 CO -0.07 0.19 0.42 0.00 0.00 0.00 0.00 179.25 179.79 3hni h ALA 90 N 0.72 1.71 -0.38 0.00 0.00 -0.90 -0.71 119.26 119.71 3hni h ALA 90 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hni h ALA 90 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hni h ALA 90 CO 0.03 0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.53 3hni h ALA 91 N 1.64 0.50 -0.77 0.00 0.00 -1.01 -1.92 119.26 117.70 3hni h ALA 91 Ca 0.26 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hni h ALA 91 Cb 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3hni h ALA 91 CO -0.08 0.24 0.48 0.93 0.00 0.00 0.00 179.25 180.82 3hni h GLU 92 N 0.47 0.89 -0.23 0.00 4.39 -0.53 -3.01 114.58 116.56 3hni h GLU 92 Ca 0.11 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 3hni h GLU 92 Cb 0.41 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3hni h GLU 92 CO 0.01 0.59 -0.35 1.96 -1.16 0.00 0.00 179.01 180.05 3hni h GLN 93 N 0.91 0.50 -0.98 2.33 4.20 -0.97 -2.80 115.11 118.30 3hni h GLN 93 Ca 0.32 -0.23 0.28 0.00 0.06 0.00 0.00 58.65 59.08 3hni h GLN 93 Cb 0.08 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3hni h GLN 93 CO -0.14 0.78 0.70 -0.07 -0.67 0.00 0.00 178.83 179.43 3hni h LEU 94 N 0.42 0.05 -1.76 1.46 3.38 -1.21 -2.26 115.31 115.40 3hni h LEU 94 Ca 0.05 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3hni h LEU 94 Cb 0.82 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3hni h LEU 94 CO 0.07 0.01 0.43 0.11 0.09 0.00 0.00 178.44 179.15 3hni h LYS 95 N 0.05 0.25 -1.00 1.13 1.57 -1.55 0.03 116.57 117.04 3hni h LYS 95 Ca 0.47 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.33 3hni h LYS 95 Cb 1.81 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.99 3hni h LYS 95 CO -0.03 0.16 0.64 1.15 -0.57 0.00 0.00 179.45 180.80 3hni h THR 96 N 0.25 1.00 -0.33 -0.16 2.02 -1.61 0.59 112.91 114.67 3hni h THR 96 Ca 0.30 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 3hni h THR 96 Cb 0.83 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3hni h THR 96 CO -0.06 0.20 -0.19 0.74 0.37 0.00 0.00 175.52 176.57 3hni h THR 97 N 1.08 1.29 -0.17 3.16 2.02 -1.19 -0.62 112.91 118.48 3hni h THR 97 Ca 0.47 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.35 3hni h THR 97 Cb 0.33 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3hni h THR 97 CO -0.22 0.43 0.03 0.00 0.37 0.00 0.00 175.52 176.12 3hni h ASN 99 N 0.09 0.72 -0.77 0.00 -0.26 -0.83 -2.22 115.58 112.31 3hni h ASN 99 Ca 0.08 -0.30 0.01 0.00 -0.56 0.00 0.00 56.30 55.53 3hni h ASN 99 Cb 0.08 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.10 3hni h ASN 99 CO -0.11 0.85 0.51 0.00 -1.06 0.00 0.00 177.43 177.61 3hni h ALA 100 N 0.90 0.98 -0.45 -0.83 0.00 -1.08 0.45 119.26 119.24 3hni h ALA 100 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3hni h ALA 100 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hni h ALA 100 CO 0.02 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.39 3hni h HIS 102 N 0.80 1.09 -0.46 0.00 -0.00 -0.94 -0.02 115.15 115.62 3hni h HIS 102 Ca 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 3hni h HIS 102 Cb 0.84 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 3hni h HIS 102 CO 0.06 0.92 0.26 1.96 -0.00 0.00 0.00 177.93 181.13 3hni h GLN 103 N 0.93 0.63 0.14 2.45 4.20 -0.90 -1.76 115.11 120.80 3hni h GLN 103 Ca 0.19 -0.06 -0.34 0.00 0.06 0.00 0.00 58.65 58.50 3hni h GLN 103 Cb 0.42 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3hni h GLN 103 CO 0.01 0.46 -1.78 0.87 -0.67 0.00 0.00 178.83 177.71 3hni h LYS 104 N 0.64 0.30 0.00 1.46 1.57 -1.34 -3.44 116.57 115.75 3hni h LYS 104 Ca 0.17 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3hni h LYS 104 Cb 0.01 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3hni h LYS 104 CO -0.03 1.19 -0.30 0.66 -0.57 0.00 0.00 179.45 180.40 3hni n TYR 105 N -3.49 0.00 1.49 -1.35 4.02 -0.04 -5.11 117.16 112.68 3hni n TYR 105 Ca -0.25 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.78 3hni n TYR 105 Cb 1.06 0.00 0.52 0.00 -0.02 0.00 0.00 39.34 40.90 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72