#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 4.13 0.20 0.00 1.47 -1.26 -4.86 116.67 116.35 3hni s ASP 2 Ca 0.00 0.33 -0.10 0.00 1.18 0.00 0.00 52.55 53.97 3hni s ASP 2 Cb 0.00 -0.72 0.22 0.00 -0.34 0.00 0.00 42.92 42.08 3hni s ASP 2 CO 0.00 -2.07 1.81 0.25 0.68 0.00 0.00 175.17 175.84 3hni h LEU 3 N -1.02 0.55 -0.57 2.11 6.46 -1.94 -2.07 115.31 118.84 3hni h LEU 3 Ca -0.44 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.33 3hni h LEU 3 Cb 1.28 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 3hni h LEU 3 CO 0.51 0.36 0.27 -0.33 -0.62 0.00 0.00 178.44 178.63 3hni h GLU 4 N 0.69 0.82 -0.33 1.25 3.07 -1.98 0.73 114.58 118.83 3hni h GLU 4 Ca 0.29 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3hni h GLU 4 Cb 0.15 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hni h GLU 4 CO -0.17 0.68 0.14 -0.44 -1.40 0.00 0.00 179.01 177.82 3hni h ASP 5 N 0.77 0.45 -0.96 1.42 3.32 -1.87 -0.42 116.42 119.13 3hni h ASP 5 Ca 0.20 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3hni h ASP 5 Cb 0.13 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3hni h ASP 5 CO -0.02 0.47 0.63 0.78 -1.72 0.00 0.00 179.24 179.38 3hni h ASN 6 N 0.39 1.06 -0.36 6.45 2.35 -1.13 -0.87 115.58 123.47 3hni h ASN 6 Ca 0.11 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 3hni h ASN 6 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3hni h ASN 6 CO -0.01 0.74 -0.28 0.24 -1.65 0.00 0.00 177.43 176.47 3hni h MET 7 N 1.24 0.88 -0.29 0.81 2.86 -0.40 -0.49 114.93 119.54 3hni h MET 7 Ca 0.37 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3hni h MET 7 Cb -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3hni h MET 7 CO -0.10 1.05 0.07 0.93 1.06 0.00 0.00 176.91 179.91 3hni h GLU 8 N 0.75 0.46 -0.39 1.72 4.39 -0.82 -0.44 114.58 120.25 3hni h GLU 8 Ca 0.09 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.75 3hni h GLU 8 Cb 0.84 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.37 3hni h GLU 8 CO 0.07 0.55 -0.02 1.15 -1.16 0.00 0.00 179.01 179.60 3hni h THR 9 N 0.30 0.68 -0.19 1.13 2.02 -1.02 0.31 112.91 116.14 3hni h THR 9 Ca 0.09 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3hni h THR 9 Cb 0.30 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3hni h THR 9 CO 0.00 0.01 -0.07 -0.07 0.37 0.00 0.00 175.52 175.77 3hni h LEU 10 N 0.08 -0.24 -0.14 2.58 -0.00 -0.96 -1.98 115.31 114.65 3hni h LEU 10 Ca 0.19 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 3hni h LEU 10 Cb 0.28 0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3hni h LEU 10 CO -0.34 -0.09 -0.00 -1.13 -0.00 0.00 0.00 178.44 176.88 3hni h ASN 11 N -0.03 0.24 -0.69 -0.43 -1.24 -0.49 -2.41 115.58 110.52 3hni h ASN 11 Ca 0.10 -0.31 0.08 0.00 0.71 0.00 0.00 56.30 56.88 3hni h ASN 11 Cb 0.18 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.10 3hni h ASN 11 CO -0.22 0.49 0.35 0.44 -1.29 0.00 0.00 177.43 177.21 3hni h ASP 12 N -0.02 0.48 1.49 1.15 5.19 -0.37 -2.70 116.42 121.65 3hni h ASP 12 Ca 0.04 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 3hni h ASP 12 Cb 0.37 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3hni h ASP 12 CO 0.01 0.29 -0.38 0.78 -3.12 0.00 0.00 179.24 176.81 3hni h ASN 13 N 0.62 0.00 -0.59 6.45 4.21 -1.30 -2.49 115.58 122.48 3hni h ASN 13 Ca 0.33 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.79 3hni h ASN 13 Cb 0.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 3hni h ASN 13 CO -0.24 0.38 0.19 0.25 -1.29 0.00 0.00 177.43 176.72 3hni h LEU 14 N 0.00 0.85 -0.66 1.61 5.85 -1.12 -1.44 115.31 120.40 3hni h LEU 14 Ca -0.00 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 3hni h LEU 14 Cb 1.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3hni h LEU 14 CO 0.05 0.83 0.11 0.11 -0.34 0.00 0.00 178.44 179.20 3hni h LYS 15 N 0.83 1.09 -1.00 1.25 1.57 -1.40 -2.22 116.57 116.68 3hni h LYS 15 Ca 0.19 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3hni h LYS 15 Cb 0.28 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3hni h LYS 15 CO -0.01 1.00 0.65 0.28 -0.57 0.00 0.00 179.45 180.80 3hni h VAL 16 N 1.01 1.10 -0.45 0.50 2.07 -1.27 -2.08 116.25 117.14 3hni h VAL 16 Ca 0.20 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 3hni h VAL 16 Cb 0.43 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3hni h VAL 16 CO 0.01 0.22 -0.25 0.40 0.02 0.00 0.00 177.57 177.97 3hni h ILE 17 N 1.19 1.27 -0.74 4.57 2.04 -0.97 -1.77 117.51 123.10 3hni h ILE 17 Ca 0.43 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3hni h ILE 17 Cb 0.14 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3hni h ILE 17 CO -0.16 0.48 0.48 -0.33 0.00 0.00 0.00 178.15 178.62 3hni h GLU 18 N 0.81 0.98 0.00 2.37 5.08 -1.01 -2.75 114.58 120.06 3hni h GLU 18 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hni h GLU 18 Cb 0.82 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hni h GLU 18 CO 0.07 0.66 -0.28 1.63 -1.00 0.00 0.00 179.01 180.08 3hni n LYS 19 N -4.56 0.02 -1.76 2.33 5.02 -0.82 -4.96 118.16 113.43 3hni n LYS 19 Ca 0.07 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 3hni n LYS 19 Cb 0.02 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3hni n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hni s ALA 20 N -3.01 2.76 -0.31 7.82 0.00 -0.67 -4.96 121.76 123.38 3hni s ALA 20 Ca 0.12 1.34 0.12 0.00 0.00 0.00 0.00 51.96 53.53 3hni s ALA 20 Cb 0.18 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 3hni s ALA 20 CO 0.63 -1.43 0.39 -0.25 0.00 0.00 0.00 175.76 175.09 3hni n ASP 21 N -1.16 1.31 -4.00 0.00 8.00 -1.26 -5.06 116.55 114.38 3hni n ASP 21 Ca 0.11 -0.44 -0.12 0.00 0.71 0.00 0.00 54.79 55.06 3hni n ASP 21 Cb 0.45 1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 42.71 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 -2.63 0.21 0.33 -2.24 2.20 -1.26 -5.07 114.94 106.49 3hni s ASN 22 Ca 0.01 -1.25 0.16 0.00 -0.94 0.00 0.00 52.86 50.83 3hni s ASN 22 Cb 0.08 0.49 0.49 0.00 -2.00 0.00 0.00 41.25 40.31 3hni s ASN 22 CO 0.48 -1.00 1.65 0.00 -2.94 0.00 0.00 177.10 175.28 3hni h ALA 23 N 2.42 0.91 -0.73 3.54 0.00 -1.92 -3.09 119.26 120.38 3hni h ALA 23 Ca -0.31 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.19 3hni h ALA 23 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3hni h ALA 23 CO 0.45 0.58 0.47 0.00 0.00 0.00 0.00 179.25 180.75 3hni h ALA 24 N 1.53 0.93 -0.45 0.00 0.00 -1.98 0.25 119.26 119.56 3hni h ALA 24 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 24 Cb 1.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hni h ALA 24 CO 0.06 0.30 -0.06 1.96 0.00 0.00 0.00 179.25 181.51 3hni h GLN 25 N 0.95 0.83 0.12 0.00 4.20 -1.97 -0.47 115.11 118.77 3hni h GLN 25 Ca 0.28 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3hni h GLN 25 Cb -0.06 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hni h GLN 25 CO -0.08 0.92 -0.06 0.28 -0.67 0.00 0.00 178.83 179.22 3hni h VAL 26 N 0.66 0.98 -0.35 -0.54 2.07 -1.46 -2.17 116.25 115.45 3hni h VAL 26 Ca 0.12 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3hni h VAL 26 Cb 0.58 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3hni h VAL 26 CO 0.03 0.10 -0.27 0.50 0.02 0.00 0.00 177.57 177.95 3hni h LYS 27 N -0.36 -0.22 -0.65 1.57 3.64 -0.43 -0.35 116.57 119.77 3hni h LYS 27 Ca -0.02 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3hni h LYS 27 Cb 0.29 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3hni h LYS 27 CO 0.03 -0.15 0.41 0.22 -2.27 0.00 0.00 179.45 177.69 3hni h ASP 28 N -0.23 0.68 -0.49 4.20 -0.00 -1.06 -1.59 116.42 117.94 3hni h ASP 28 Ca 0.17 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.06 3hni h ASP 28 Cb 0.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.66 3hni h ASP 28 CO -0.48 0.48 -0.21 0.00 -0.00 0.00 0.00 179.24 179.03 3hni h ALA 29 N 1.27 0.70 -0.53 -0.78 0.00 -0.83 -2.60 119.26 116.49 3hni h ALA 29 Ca 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3hni h ALA 29 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hni h ALA 29 CO -0.09 0.68 -0.07 -0.07 0.00 0.00 0.00 179.25 179.69 3hni h LEU 30 N 0.87 0.95 -0.49 0.00 3.38 -0.87 -1.04 115.31 118.10 3hni h LEU 30 Ca 0.11 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hni h LEU 30 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3hni h LEU 30 CO 0.07 1.05 0.25 0.74 0.09 0.00 0.00 178.44 180.64 3hni h THR 31 N 0.87 0.97 -0.54 0.22 2.02 -1.22 0.60 112.91 115.83 3hni h THR 31 Ca 0.15 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3hni h THR 31 Cb 0.61 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3hni h THR 31 CO 0.04 0.09 0.03 0.11 0.37 0.00 0.00 175.52 176.16 3hni h LYS 32 N 0.50 0.91 -0.64 6.66 1.57 -1.16 -2.49 116.57 121.91 3hni h LYS 32 Ca 0.21 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hni h LYS 32 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3hni h LYS 32 CO -0.15 0.88 0.35 0.52 -0.57 0.00 0.00 179.45 180.49 3hni h MET 33 N 0.84 0.90 -0.72 3.15 2.86 -0.64 -1.95 114.93 119.38 3hni h MET 33 Ca 0.16 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3hni h MET 33 Cb 0.46 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3hni h MET 33 CO 0.02 0.68 0.21 0.00 1.06 0.00 0.00 176.91 178.89 3hni h ALA 34 N 1.17 0.95 -0.56 6.32 0.00 -0.68 0.25 119.26 126.70 3hni h ALA 34 Ca 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hni h ALA 34 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hni h ALA 34 CO -0.04 0.64 0.16 0.00 0.00 0.00 0.00 179.25 180.01 3hni h ALA 35 N 1.11 0.74 -0.53 0.00 0.00 -1.36 -1.23 119.26 117.97 3hni h ALA 35 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hni h ALA 35 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hni h ALA 35 CO -0.01 0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.73 3hni h ALA 36 N 1.03 0.71 -0.24 0.00 0.00 -0.99 -1.39 119.26 118.38 3hni h ALA 36 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 36 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hni h ALA 36 CO -0.00 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 3hni h ALA 37 N 0.98 0.33 -0.71 0.00 0.00 -0.86 -1.24 119.26 117.76 3hni h ALA 37 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 37 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hni h ALA 37 CO 0.01 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.82 3hni h ALA 38 N 0.74 1.37 0.00 0.00 0.00 -1.19 -2.28 119.26 117.90 3hni h ALA 38 Ca 0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3hni h ALA 38 Cb 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hni h ALA 38 CO 0.03 0.53 -0.59 0.22 0.00 0.00 0.00 179.25 179.43 3hni h ASP 39 N 0.99 0.00 0.66 0.00 3.58 -1.13 -3.10 116.42 117.42 3hni h ASP 39 Ca 0.25 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3hni h ASP 39 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3hni h ASP 39 CO -0.04 0.59 -0.19 0.00 -2.88 0.00 0.00 179.24 176.72 3hni h ALA 40 N 1.41 1.13 -0.94 -0.78 0.00 -0.63 -3.35 119.26 116.10 3hni h ALA 40 Ca -0.01 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.02 3hni h ALA 40 Cb 1.15 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 3hni h ALA 40 CO 0.08 0.24 0.23 2.35 0.00 0.00 0.00 179.25 182.14 3hni h TRP 41 N 0.00 0.32 -0.01 0.00 2.91 -1.44 -0.55 115.95 117.19 3hni h TRP 41 Ca -0.00 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3hni h TRP 41 Cb 0.57 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 3hni h TRP 41 CO 0.00 -0.33 -0.09 -1.13 -1.03 0.00 0.00 178.44 175.85 3hni n SER 42 N -5.32 0.62 -4.79 2.65 3.41 -1.26 -4.92 113.62 104.03 3hni n SER 42 Ca 0.25 -0.80 -0.36 0.00 -0.26 0.00 0.00 58.87 57.71 3hni n SER 42 Cb 0.83 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.35 3.05 -0.25 7.33 0.00 -0.22 -5.04 121.76 124.29 3hni s ALA 43 Ca 0.32 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 3hni s ALA 43 Cb 0.20 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 3hni s ALA 43 CO 0.45 -0.16 0.08 0.99 0.00 0.00 0.00 175.76 177.12 3hni s THR 44 N -1.76 4.46 0.45 0.00 2.01 -1.26 -5.03 115.64 114.51 3hni s THR 44 Ca 0.59 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 3hni s THR 44 Cb -0.19 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 3hni s THR 44 CO 0.24 0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 173.44 3hni s PRO 45 N 1.56 3.88 0.37 4.92 0.04 -1.26 -4.90 135.00 139.61 3hni s PRO 45 Ca 0.06 1.58 0.10 0.00 0.04 0.00 0.00 61.00 62.78 3hni s PRO 45 Cb -0.15 -2.36 0.85 0.00 0.04 0.00 0.00 34.50 32.89 3hni s PRO 45 CO 0.04 -0.41 1.90 -1.35 0.04 0.00 0.00 177.00 177.23 3hni h PRO 46 N 2.04 0.62 0.00 0.56 0.11 -1.99 0.11 132.00 133.45 3hni h PRO 46 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hni h PRO 46 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hni h PRO 46 CO 0.60 0.41 0.00 0.87 -0.21 0.00 0.00 178.00 179.68 3hni h LYS 47 N 0.64 0.00 -0.16 1.05 1.79 -1.93 -3.04 116.57 114.93 3hni h LYS 47 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3hni h LYS 47 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3hni h LYS 47 CO -0.16 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.49 3hni n LEU 48 N -2.87 3.17 -0.31 2.94 4.77 -0.00 -4.70 117.00 119.99 3hni n LEU 48 Ca 0.00 -2.91 0.07 0.00 -0.03 0.00 0.00 56.01 53.14 3hni n LEU 48 Cb 0.23 -0.45 0.22 0.00 -2.33 0.00 0.00 43.42 41.09 3hni n LEU 48 CO 0.23 0.68 1.13 -0.33 -1.33 0.00 0.00 177.39 177.77 3hni h GLU 49 N 1.08 0.68 0.00 3.23 5.08 -1.36 -2.37 114.58 120.93 3hni h GLU 49 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hni h GLU 49 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hni h GLU 49 CO 0.12 0.45 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 3hni n ASP 50 N -4.81 0.00 -4.89 1.42 5.75 -1.26 -4.82 116.55 107.94 3hni n ASP 50 Ca 0.17 0.05 -0.32 0.00 -0.01 0.00 0.00 54.79 54.68 3hni n ASP 50 Cb 0.41 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3hni n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hni s LYS 51 N -2.69 3.66 0.47 0.11 -0.14 -0.89 -5.07 119.74 115.19 3hni s LYS 51 Ca 0.24 -0.01 -0.24 0.00 -1.36 0.00 0.00 55.97 54.60 3hni s LYS 51 Cb 0.19 -2.83 -0.08 0.00 -1.68 0.00 0.00 37.83 33.43 3hni s LYS 51 CO 0.46 0.45 1.23 0.43 -0.76 0.00 0.00 175.35 177.16 3hni n SER 52 N 0.12 2.23 0.31 2.83 7.64 -1.26 -4.89 113.62 120.61 3hni n SER 52 Ca -0.02 1.03 0.19 0.00 1.01 0.00 0.00 58.87 61.08 3hni n SER 52 Cb 0.52 -1.49 1.02 0.00 -1.01 0.00 0.00 64.21 63.25 3hni n SER 52 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3hni h PRO 53 N 1.68 0.00 -0.32 1.43 0.11 -1.95 -1.04 132.00 131.90 3hni h PRO 53 Ca -0.48 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 3hni h PRO 53 Cb 1.31 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.27 3hni h PRO 53 CO 0.58 0.02 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.70 3hni n ASP 54 N -3.30 2.97 -4.84 -2.05 8.00 -1.26 -4.82 116.55 111.25 3hni n ASP 54 Ca -0.02 -3.84 -0.31 0.00 0.71 0.00 0.00 54.79 51.33 3hni n ASP 54 Cb 0.13 -0.52 0.04 0.00 -0.02 0.00 0.00 41.12 40.75 3hni n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hni s SER 55 N -3.11 5.58 0.28 -2.24 1.04 -0.40 -4.90 113.70 109.94 3hni s SER 55 Ca 0.44 1.45 -0.00 0.00 0.48 0.00 0.00 55.95 58.32 3hni s SER 55 Cb 0.40 -2.36 0.49 0.00 0.10 0.00 0.00 66.02 64.65 3hni s SER 55 CO -0.02 -1.30 1.86 -0.65 0.98 0.00 0.00 173.24 174.12 3hni h PRO 56 N -0.62 1.04 -0.52 4.02 0.11 -1.97 -1.23 132.00 132.83 3hni h PRO 56 Ca -0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hni h PRO 56 Cb 1.22 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3hni h PRO 56 CO 0.60 0.69 0.29 0.93 -0.21 0.00 0.00 178.00 180.30 3hni h GLU 57 N 1.08 0.73 -0.23 1.05 3.07 -1.93 -1.29 114.58 117.05 3hni h GLU 57 Ca 0.46 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 3hni h GLU 57 Cb 0.32 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3hni h GLU 57 CO -0.21 0.57 -0.34 0.52 -1.40 0.00 0.00 179.01 178.15 3hni h MET 58 N 0.70 0.50 -0.67 2.33 2.86 -1.77 0.26 114.93 119.15 3hni h MET 58 Ca 0.18 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3hni h MET 58 Cb 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3hni h MET 58 CO -0.03 0.77 0.24 0.45 1.06 0.00 0.00 176.91 179.40 3hni h HIS 59 N 0.42 1.04 -0.29 -0.22 3.86 -1.05 -1.55 115.15 117.36 3hni h HIS 59 Ca 0.05 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 3hni h HIS 59 Cb 0.80 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3hni h HIS 59 CO 0.03 0.83 -0.35 0.22 0.86 0.00 0.00 177.93 179.52 3hni h ASP 60 N 0.96 0.68 0.15 2.45 3.58 -0.95 -0.59 116.42 122.70 3hni h ASP 60 Ca 0.22 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 3hni h ASP 60 Cb 0.25 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.12 3hni h ASP 60 CO -0.01 0.97 -0.07 0.15 -2.88 0.00 0.00 179.24 177.39 3hni h PHE 61 N 0.55 -0.19 0.00 0.28 3.57 -0.80 -2.81 116.94 117.54 3hni h PHE 61 Ca 0.06 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3hni h PHE 61 Cb 0.85 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3hni h PHE 61 CO 0.04 -0.07 -0.22 0.00 -2.23 0.00 0.00 178.31 175.83 3hni h ARG 62 N -0.26 0.00 -0.88 1.11 3.08 -1.20 -2.62 114.38 113.61 3hni h ARG 62 Ca -0.02 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3hni h ARG 62 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3hni h ARG 62 CO 0.03 0.22 0.57 1.25 -1.07 0.00 0.00 179.97 180.98 3hni h HIS 63 N 0.00 1.01 -0.29 3.04 2.76 -0.83 -1.79 115.15 119.04 3hni h HIS 63 Ca -0.00 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 3hni h HIS 63 Cb 0.41 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3hni h HIS 63 CO 0.00 0.53 0.11 0.78 -1.30 0.00 0.00 177.93 178.05 3hni h GLY 64 N 1.00 0.43 1.62 5.26 0.00 -1.39 -1.39 103.07 108.60 3hni h GLY 64 Ca 0.38 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 3hni h GLY 64 CO -0.14 0.18 -0.54 0.74 0.00 0.00 0.00 176.54 176.79 3hni h PHE 65 N 0.40 0.49 -0.32 5.60 0.05 -1.44 -1.12 116.94 120.61 3hni h PHE 65 Ca 0.10 -0.17 0.05 0.00 3.82 0.00 0.00 57.97 61.77 3hni h PHE 65 Cb 0.09 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 37.90 3hni h PHE 65 CO 0.00 0.85 0.07 -1.49 -0.18 0.00 0.00 178.31 177.56 3hni h TRP 66 N 0.31 0.11 -0.25 -0.55 6.55 -0.84 0.14 115.95 121.42 3hni h TRP 66 Ca 0.01 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 3hni h TRP 66 Cb 1.04 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.33 3hni h TRP 66 CO 0.03 0.02 0.13 0.82 -1.05 0.00 0.00 178.44 178.40 3hni h ILE 67 N 0.18 1.12 -0.05 1.49 1.08 -1.17 -0.73 117.51 119.42 3hni h ILE 67 Ca 0.15 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3hni h ILE 67 Cb 0.17 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3hni h ILE 67 CO -0.20 0.12 0.03 0.25 -0.69 0.00 0.00 178.15 177.66 3hni h LEU 68 N 0.28 0.05 -0.63 1.44 5.85 -0.97 -1.91 115.31 119.42 3hni h LEU 68 Ca 0.09 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hni h LEU 68 Cb 0.07 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hni h LEU 68 CO -0.01 0.04 0.42 0.40 -0.34 0.00 0.00 178.44 178.94 3hni h ILE 69 N 0.06 1.16 -0.90 4.05 2.04 -0.52 -0.73 117.51 122.67 3hni h ILE 69 Ca 0.02 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3hni h ILE 69 Cb -0.00 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.26 3hni h ILE 69 CO -0.01 0.16 0.58 1.23 0.00 0.00 0.00 178.15 180.10 3hni h GLY 70 N 0.85 1.34 1.11 5.37 0.00 -0.96 -0.95 103.07 109.83 3hni h GLY 70 Ca 0.23 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 3hni h GLY 70 CO -0.05 0.34 -0.61 1.46 0.00 0.00 0.00 176.54 177.68 3hni h GLN 71 N 1.09 0.79 -0.34 4.80 4.20 -0.67 -2.08 115.11 122.91 3hni h GLN 71 Ca 0.37 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3hni h GLN 71 Cb 0.07 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3hni h GLN 71 CO -0.14 1.19 0.23 0.82 -0.67 0.00 0.00 178.83 180.25 3hni h ILE 72 N 0.54 1.09 -0.44 2.54 2.04 -1.08 -0.58 117.51 121.61 3hni h ILE 72 Ca -0.02 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.78 3hni h ILE 72 Cb 1.23 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.81 3hni h ILE 72 CO 0.13 0.08 -0.19 -0.74 0.00 0.00 0.00 178.15 177.44 3hni h HIS 73 N 0.46 -0.46 -0.34 1.37 2.76 -1.06 0.61 115.15 118.50 3hni h HIS 73 Ca 0.13 0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 3hni h HIS 73 Cb -0.05 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3hni h HIS 73 CO -0.05 -0.27 -0.17 0.22 -1.30 0.00 0.00 177.93 176.36 3hni h ASP 74 N -0.10 0.73 -0.70 3.26 1.82 -1.10 -2.70 116.42 117.63 3hni h ASP 74 Ca 0.21 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 3hni h ASP 74 Cb 0.42 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 3hni h ASP 74 CO -0.50 0.97 0.44 0.00 -1.61 0.00 0.00 179.24 178.54 3hni h ALA 75 N 0.78 1.43 -0.68 -0.78 0.00 -0.57 -2.16 119.26 117.27 3hni h ALA 75 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hni h ALA 75 Cb 0.70 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hni h ALA 75 CO 0.05 0.50 0.12 1.25 0.00 0.00 0.00 179.25 181.17 3hni h LEU 76 N 0.98 1.07 -0.60 0.00 5.85 -0.67 -0.95 115.31 120.99 3hni h LEU 76 Ca 0.26 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3hni h LEU 76 Cb -0.05 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.64 3hni h LEU 76 CO -0.05 1.05 0.30 0.45 -0.34 0.00 0.00 178.44 179.85 3hni h HIS 77 N 1.05 0.54 -0.52 1.25 3.86 -1.09 0.14 115.15 120.38 3hni h HIS 77 Ca 0.21 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3hni h HIS 77 Cb 0.43 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3hni h HIS 77 CO 0.03 0.24 0.31 -0.07 0.86 0.00 0.00 177.93 179.30 3hni h LEU 78 N 0.55 0.62 -0.48 2.43 3.38 -0.85 -0.88 115.31 120.09 3hni h LEU 78 Ca 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3hni h LEU 78 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hni h LEU 78 CO -0.20 0.50 0.24 0.00 0.09 0.00 0.00 178.44 179.06 3hni h ALA 79 N 1.15 0.62 -0.39 1.53 0.00 -0.89 -1.06 119.26 120.23 3hni h ALA 79 Ca 0.19 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hni h ALA 79 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hni h ALA 79 CO -0.04 0.17 0.26 -0.91 0.00 0.00 0.00 179.25 178.74 3hni h ASN 80 N 0.63 0.29 0.36 0.00 -0.26 -0.31 -0.12 115.58 116.18 3hni h ASN 80 Ca 0.17 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3hni h ASN 80 Cb 0.10 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3hni h ASN 80 CO -0.02 0.20 0.00 -0.62 -1.06 0.00 0.00 177.43 175.93 3hni n GLU 81 N -4.48 0.54 -0.93 0.81 1.02 -0.37 -4.88 120.64 112.35 3hni n GLU 81 Ca 0.04 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3hni n GLU 81 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.97 0.48 3.15 0.62 0.00 -0.06 -4.97 105.19 105.38 3hni n GLY 82 Ca 0.15 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.93 3.57 0.18 1.61 5.02 -0.45 -4.84 118.16 120.33 3hni n LYS 83 Ca 0.00 -3.78 -0.14 0.00 -2.02 0.00 0.00 58.31 52.37 3hni n LYS 83 Cb 0.00 -2.93 -0.08 0.00 -0.02 0.00 0.00 35.03 32.00 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 4.09 0.70 -0.42 -0.18 2.07 -1.88 -0.38 116.25 120.25 3hni h VAL 84 Ca 0.34 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3hni h VAL 84 Cb 0.74 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3hni h VAL 84 CO 1.42 0.06 0.18 0.11 0.02 0.00 0.00 177.57 179.36 3hni h LYS 85 N -0.60 0.36 0.00 1.57 1.79 -1.97 0.10 116.57 117.81 3hni h LYS 85 Ca -0.04 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 3hni h LYS 85 Cb 0.44 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3hni h LYS 85 CO 0.07 0.24 -0.51 1.05 -1.08 0.00 0.00 179.45 179.22 3hni h GLU 86 N 0.37 0.00 -0.44 3.15 9.09 -1.95 0.76 114.58 125.56 3hni h GLU 86 Ca 0.19 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.47 3hni h GLU 86 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 3hni h GLU 86 CO -0.17 0.51 -0.24 0.00 0.05 0.00 0.00 179.01 179.17 3hni h ALA 87 N 1.49 0.62 -0.32 1.06 0.00 -0.58 -0.67 119.26 120.85 3hni h ALA 87 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hni h ALA 87 Cb 1.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hni h ALA 87 CO 0.07 0.62 -0.08 1.96 0.00 0.00 0.00 179.25 181.81 3hni h GLN 88 N 0.77 0.53 -0.26 0.00 4.20 -0.39 -1.08 115.11 118.88 3hni h GLN 88 Ca 0.09 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3hni h GLN 88 Cb 0.81 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3hni h GLN 88 CO 0.07 0.62 -0.17 0.00 -0.67 0.00 0.00 178.83 178.68 3hni h ALA 89 N 1.42 0.36 -0.95 3.87 0.00 -0.76 -1.51 119.26 121.70 3hni h ALA 89 Ca 0.10 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hni h ALA 89 Cb 0.45 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3hni h ALA 89 CO 0.02 0.27 0.60 0.00 0.00 0.00 0.00 179.25 180.14 3hni h ALA 90 N 0.71 1.33 -0.71 0.00 0.00 -0.90 -0.71 119.26 118.98 3hni h ALA 90 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hni h ALA 90 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hni h ALA 90 CO 0.05 0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.82 3hni h ALA 91 N 1.45 0.98 -0.46 0.00 0.00 -1.06 -1.66 119.26 118.51 3hni h ALA 91 Ca 0.42 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3hni h ALA 91 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hni h ALA 91 CO -0.19 0.66 -0.12 1.49 0.00 0.00 0.00 179.25 181.10 3hni h GLU 92 N 1.07 0.84 -0.25 0.00 4.22 -0.55 -3.09 114.58 116.81 3hni h GLU 92 Ca 0.22 -0.29 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 3hni h GLU 92 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hni h GLU 92 CO 0.00 0.92 -0.19 1.96 -2.18 0.00 0.00 179.01 179.52 3hni h GLN 93 N 0.76 0.45 -0.91 1.92 4.20 -0.90 -2.66 115.11 117.97 3hni h GLN 93 Ca 0.12 -0.15 0.24 0.00 0.06 0.00 0.00 58.65 58.93 3hni h GLN 93 Cb 0.62 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3hni h GLN 93 CO 0.04 0.63 0.63 -0.07 -0.67 0.00 0.00 178.83 179.39 3hni h LEU 94 N 0.41 0.16 -1.80 1.46 3.38 -1.22 -2.64 115.31 115.06 3hni h LEU 94 Ca 0.07 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3hni h LEU 94 Cb 0.57 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3hni h LEU 94 CO 0.04 0.05 0.48 0.11 0.09 0.00 0.00 178.44 179.22 3hni h LYS 95 N 0.15 0.19 -0.77 1.13 1.57 -1.55 0.76 116.57 118.05 3hni h LYS 95 Ca 0.45 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.34 3hni h LYS 95 Cb 1.53 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.71 3hni h LYS 95 CO -0.08 0.12 0.37 1.15 -0.57 0.00 0.00 179.45 180.44 3hni h THR 96 N 0.19 0.76 -0.16 -0.16 2.02 -1.68 0.89 112.91 114.77 3hni h THR 96 Ca 0.34 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3hni h THR 96 Cb 1.06 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3hni h THR 96 CO -0.06 0.11 -0.05 0.74 0.37 0.00 0.00 175.52 176.62 3hni h THR 97 N 0.58 1.30 -0.11 3.16 2.02 -1.05 -0.64 112.91 118.16 3hni h THR 97 Ca 0.40 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.59 3hni h THR 97 Cb 0.53 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 3hni h THR 97 CO -0.33 0.31 -0.32 0.00 0.37 0.00 0.00 175.52 175.55 3hni h ASN 99 N -0.40 0.51 -0.97 0.00 -0.26 -0.79 -2.35 115.58 111.31 3hni h ASN 99 Ca 0.09 -0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 3hni h ASN 99 Cb 0.54 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 3hni h ASN 99 CO -0.33 0.45 0.63 0.00 -1.06 0.00 0.00 177.43 177.12 3hni h ALA 100 N 1.08 1.23 -0.26 -0.83 0.00 -0.97 0.10 119.26 119.61 3hni h ALA 100 Ca 0.15 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3hni h ALA 100 Cb 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3hni h ALA 100 CO -0.02 0.64 -0.51 0.00 0.00 0.00 0.00 179.25 179.36 3hni h HIS 102 N 0.57 0.81 -0.46 0.00 -0.00 -1.04 0.14 115.15 115.17 3hni h HIS 102 Ca 0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3hni h HIS 102 Cb 1.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.24 3hni h HIS 102 CO 0.08 0.57 0.30 1.96 -0.00 0.00 0.00 177.93 180.85 3hni h GLN 103 N 0.80 0.43 0.04 2.45 4.20 -0.99 -1.59 115.11 120.46 3hni h GLN 103 Ca 0.21 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.53 3hni h GLN 103 Cb 0.03 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 3hni h GLN 103 CO -0.04 0.29 -2.16 1.63 -0.67 0.00 0.00 178.83 177.88 3hni n LYS 104 N -4.48 0.69 -0.00 1.46 5.02 -1.07 -4.75 118.16 115.04 3hni n LYS 104 Ca 0.05 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 3hni n LYS 104 Cb 0.19 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.20 0.00 1.24 2.13 4.02 0.46 -5.11 117.16 116.70 3hni n TYR 105 Ca -0.33 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.68 3hni n TYR 105 Cb 1.05 -0.01 0.31 0.00 -0.02 0.00 0.00 39.34 40.67 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72