#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 3.53 0.14 0.00 -4.77 -1.26 -4.88 116.67 109.43 3hni s ASP 2 Ca 0.00 0.30 -0.17 0.00 -3.30 0.00 0.00 52.55 49.38 3hni s ASP 2 Cb 0.00 -0.47 -0.01 0.00 -1.09 0.00 0.00 42.92 41.34 3hni s ASP 2 CO 0.00 -2.47 1.78 0.25 0.70 0.00 0.00 175.17 175.43 3hni h LEU 3 N -1.40 0.41 -0.35 2.11 6.46 -1.95 -2.18 115.31 118.41 3hni h LEU 3 Ca -0.44 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.32 3hni h LEU 3 Cb 1.26 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 41.05 3hni h LEU 3 CO 0.44 0.33 0.13 -0.33 -0.62 0.00 0.00 178.44 178.38 3hni h GLU 4 N 0.45 0.27 -0.49 1.25 5.08 -1.98 0.13 114.58 119.28 3hni h GLU 4 Ca 0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3hni h GLU 4 Cb -0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3hni h GLU 4 CO -0.02 0.18 0.23 -0.44 -1.00 0.00 0.00 179.01 177.95 3hni h ASP 5 N 0.28 0.64 -0.43 1.42 3.45 -1.90 -0.11 116.42 119.77 3hni h ASP 5 Ca 0.16 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.43 3hni h ASP 5 Cb 0.13 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3hni h ASP 5 CO -0.16 0.60 0.10 0.78 -1.57 0.00 0.00 179.24 178.98 3hni h ASN 6 N 0.65 0.72 -0.48 6.45 2.35 -1.12 -0.45 115.58 123.69 3hni h ASN 6 Ca 0.17 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3hni h ASN 6 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3hni h ASN 6 CO -0.02 0.73 0.07 0.24 -1.65 0.00 0.00 177.43 176.79 3hni h MET 7 N 0.74 0.80 -0.31 0.81 2.86 -0.35 -0.79 114.93 118.68 3hni h MET 7 Ca 0.16 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3hni h MET 7 Cb 0.31 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3hni h MET 7 CO 0.00 0.81 0.16 1.49 1.06 0.00 0.00 176.91 180.43 3hni h GLU 8 N 0.66 0.44 -0.41 1.72 4.81 -0.79 -0.05 114.58 120.96 3hni h GLU 8 Ca 0.14 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3hni h GLU 8 Cb 0.41 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 3hni h GLU 8 CO 0.01 0.39 -0.07 1.15 -0.73 0.00 0.00 179.01 179.76 3hni h THR 9 N 0.38 0.62 -0.30 0.32 2.02 -0.95 0.23 112.91 115.23 3hni h THR 9 Ca 0.11 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3hni h THR 9 Cb 0.08 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3hni h THR 9 CO -0.02 0.01 0.05 -0.07 0.37 0.00 0.00 175.52 175.86 3hni h LEU 10 N 0.03 -0.01 -0.14 2.58 4.07 -0.90 -2.18 115.31 118.76 3hni h LEU 10 Ca 0.20 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 3hni h LEU 10 Cb 0.30 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 3hni h LEU 10 CO -0.40 0.03 -0.09 -1.13 -1.08 0.00 0.00 178.44 175.77 3hni h ASN 11 N 0.15 0.32 -0.87 -0.43 -1.24 -0.38 -2.27 115.58 110.87 3hni h ASN 11 Ca 0.14 -0.43 0.05 0.00 0.71 0.00 0.00 56.30 56.77 3hni h ASN 11 Cb 0.15 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.06 3hni h ASN 11 CO -0.19 0.69 0.55 0.44 -1.29 0.00 0.00 177.43 177.62 3hni h ASP 12 N -0.04 0.88 1.56 1.15 3.32 -0.52 -2.86 116.42 119.92 3hni h ASP 12 Ca 0.03 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3hni h ASP 12 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3hni h ASP 12 CO 0.02 0.58 -0.40 0.78 -1.72 0.00 0.00 179.24 178.50 3hni h ASN 13 N 1.02 0.00 -0.48 6.45 4.21 -1.36 -2.40 115.58 123.02 3hni h ASN 13 Ca 0.37 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.91 3hni h ASN 13 Cb 0.12 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.28 3hni h ASN 13 CO -0.16 0.40 0.27 0.25 -1.29 0.00 0.00 177.43 176.91 3hni h LEU 14 N 0.00 0.42 -0.57 1.61 5.85 -1.18 -1.49 115.31 119.94 3hni h LEU 14 Ca -0.00 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3hni h LEU 14 Cb 1.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3hni h LEU 14 CO 0.05 0.29 -0.39 0.11 -0.34 0.00 0.00 178.44 178.16 3hni h LYS 15 N 0.53 0.70 -0.86 1.25 1.57 -1.36 -2.40 116.57 116.01 3hni h LYS 15 Ca 0.20 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3hni h LYS 15 Cb 0.06 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3hni h LYS 15 CO -0.11 0.97 0.56 0.28 -0.57 0.00 0.00 179.45 180.58 3hni h VAL 16 N 0.58 1.09 -0.47 0.50 2.07 -1.22 -2.01 116.25 116.78 3hni h VAL 16 Ca 0.05 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 3hni h VAL 16 Cb 0.93 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3hni h VAL 16 CO 0.08 0.18 -0.17 0.40 0.02 0.00 0.00 177.57 178.09 3hni h ILE 17 N 1.00 1.27 -0.74 4.57 2.04 -0.95 -1.99 117.51 122.72 3hni h ILE 17 Ca 0.36 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3hni h ILE 17 Cb 0.15 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3hni h ILE 17 CO -0.12 0.46 0.48 -0.33 0.00 0.00 0.00 178.15 178.63 3hni h GLU 18 N 0.80 0.93 -0.00 2.37 5.08 -0.93 -2.68 114.58 120.15 3hni h GLU 18 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hni h GLU 18 Cb 0.74 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3hni h GLU 18 CO 0.06 0.62 -0.28 1.63 -1.00 0.00 0.00 179.01 180.03 3hni n LYS 19 N -4.60 0.07 -1.90 2.33 5.02 -0.81 -4.96 118.16 113.32 3hni n LYS 19 Ca 0.07 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 3hni n LYS 19 Cb 0.04 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.95 2.97 -0.08 7.82 0.00 -0.75 -4.96 121.76 123.81 3hni s ALA 20 Ca 0.14 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.54 3hni s ALA 20 Cb 0.18 -3.53 -0.26 0.00 0.00 0.00 0.00 23.12 19.52 3hni s ALA 20 CO 0.62 -1.15 0.28 -0.25 0.00 0.00 0.00 175.76 175.25 3hni n ASP 21 N -0.66 0.85 -4.03 0.00 8.00 -1.26 -5.05 116.55 114.40 3hni n ASP 21 Ca 0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 3hni n ASP 21 Cb 0.45 1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 42.97 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 -4.44 0.26 0.23 -2.24 2.20 -1.26 -5.07 114.94 104.62 3hni s ASN 22 Ca -0.07 -1.32 0.01 0.00 -0.94 0.00 0.00 52.86 50.54 3hni s ASN 22 Cb 0.09 0.46 0.23 0.00 -2.00 0.00 0.00 41.25 40.03 3hni s ASN 22 CO 0.73 -0.95 1.57 0.00 -2.94 0.00 0.00 177.10 175.51 3hni h ALA 23 N 2.47 0.84 -0.76 3.54 0.00 -1.93 -3.01 119.26 120.40 3hni h ALA 23 Ca -0.32 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hni h ALA 23 Cb 1.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3hni h ALA 23 CO 0.47 0.68 0.49 0.00 0.00 0.00 0.00 179.25 180.88 3hni h ALA 24 N 1.13 1.42 -0.35 0.00 0.00 -1.98 0.22 119.26 119.70 3hni h ALA 24 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3hni h ALA 24 Cb 1.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hni h ALA 24 CO 0.09 0.52 -0.41 1.96 0.00 0.00 0.00 179.25 181.41 3hni h GLN 25 N 1.04 0.90 -0.13 0.00 4.20 -1.96 -0.95 115.11 118.22 3hni h GLN 25 Ca 0.28 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3hni h GLN 25 Cb -0.09 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hni h GLN 25 CO -0.06 1.15 0.03 0.28 -0.67 0.00 0.00 178.83 179.56 3hni h VAL 26 N 0.71 1.21 -0.14 -0.54 2.07 -1.41 -2.17 116.25 115.98 3hni h VAL 26 Ca 0.05 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hni h VAL 26 Cb 1.01 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3hni h VAL 26 CO 0.10 0.19 -0.15 0.11 0.02 0.00 0.00 177.57 177.84 3hni h LYS 27 N -0.01 -0.17 -0.57 1.57 1.57 -0.50 -0.49 116.57 117.97 3hni h LYS 27 Ca 0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3hni h LYS 27 Cb 0.27 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3hni h LYS 27 CO 0.00 -0.11 0.35 0.22 -0.57 0.00 0.00 179.45 179.34 3hni h ASP 28 N -0.18 0.58 -0.38 0.86 1.82 -1.15 -0.89 116.42 117.08 3hni h ASP 28 Ca 0.10 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 3hni h ASP 28 Cb 0.32 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 3hni h ASP 28 CO -0.24 0.41 0.20 0.00 -1.61 0.00 0.00 179.24 177.99 3hni h ALA 29 N 1.24 0.49 -0.58 -0.78 0.00 -1.07 -2.52 119.26 116.03 3hni h ALA 29 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hni h ALA 29 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hni h ALA 29 CO -0.09 0.02 0.16 -0.07 0.00 0.00 0.00 179.25 179.28 3hni h LEU 30 N 0.48 0.86 -0.51 0.00 3.38 -0.83 -1.35 115.31 117.33 3hni h LEU 30 Ca 0.13 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3hni h LEU 30 Cb 0.08 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3hni h LEU 30 CO -0.02 0.85 0.02 0.74 0.09 0.00 0.00 178.44 180.12 3hni h THR 31 N 0.82 0.61 -0.65 0.22 2.02 -1.07 0.13 112.91 114.99 3hni h THR 31 Ca 0.18 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3hni h THR 31 Cb 0.32 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3hni h THR 31 CO -0.00 0.02 0.24 0.11 0.37 0.00 0.00 175.52 176.27 3hni h LYS 32 N 0.13 0.99 -0.72 6.66 1.57 -1.10 -2.58 116.57 121.53 3hni h LYS 32 Ca 0.26 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hni h LYS 32 Cb 0.39 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3hni h LYS 32 CO -0.41 0.84 0.47 0.52 -0.57 0.00 0.00 179.45 180.30 3hni h MET 33 N 0.93 0.95 -0.21 3.15 2.86 -0.50 -1.63 114.93 120.47 3hni h MET 33 Ca 0.22 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3hni h MET 33 Cb 0.24 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3hni h MET 33 CO -0.01 0.63 0.11 0.00 1.06 0.00 0.00 176.91 178.70 3hni h ALA 34 N 1.26 0.26 -0.65 6.32 0.00 -0.58 0.39 119.26 126.26 3hni h ALA 34 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hni h ALA 34 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hni h ALA 34 CO -0.06 -0.30 0.23 0.00 0.00 0.00 0.00 179.25 179.12 3hni h ALA 35 N 1.10 1.17 -0.23 0.00 0.00 -1.28 -1.13 119.26 118.90 3hni h ALA 35 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hni h ALA 35 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hni h ALA 35 CO -0.05 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.71 3hni h ALA 36 N 1.30 0.32 -0.40 0.00 0.00 -0.98 -1.37 119.26 118.12 3hni h ALA 36 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 36 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hni h ALA 36 CO -0.01 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.59 3hni h ALA 37 N 0.74 0.51 -0.72 0.00 0.00 -0.77 -1.26 119.26 117.76 3hni h ALA 37 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hni h ALA 37 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hni h ALA 37 CO 0.03 0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.50 3hni h ALA 38 N 1.10 1.02 -0.04 0.00 0.00 -1.17 -2.61 119.26 117.56 3hni h ALA 38 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3hni h ALA 38 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3hni h ALA 38 CO -0.03 0.66 -0.45 0.22 0.00 0.00 0.00 179.25 179.65 3hni h ASP 39 N 1.07 0.10 0.67 0.00 3.58 -1.07 -2.88 116.42 117.89 3hni h ASP 39 Ca 0.23 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 3hni h ASP 39 Cb 0.31 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 3hni h ASP 39 CO -0.01 0.54 -0.10 0.00 -2.88 0.00 0.00 179.24 176.80 3hni h ALA 40 N 1.46 1.09 -0.92 -0.78 0.00 -0.85 -3.34 119.26 115.93 3hni h ALA 40 Ca 0.00 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.05 3hni h ALA 40 Cb 0.83 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 3hni h ALA 40 CO 0.06 0.12 -0.06 2.35 0.00 0.00 0.00 179.25 181.72 3hni h TRP 41 N 0.00 -0.20 -0.01 0.00 2.91 -1.34 -1.03 115.95 116.28 3hni h TRP 41 Ca -0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3hni h TRP 41 Cb 0.46 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 3hni h TRP 41 CO 0.00 -0.38 -0.05 -1.13 -1.03 0.00 0.00 178.44 175.85 3hni n SER 42 N -5.49 0.70 -4.78 2.65 3.41 -1.25 -4.91 113.62 103.94 3hni n SER 42 Ca 0.18 -1.00 -0.37 0.00 -0.26 0.00 0.00 58.87 57.43 3hni n SER 42 Cb 0.60 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.20 3.03 -0.24 7.33 0.00 -0.39 -5.04 121.76 124.25 3hni s ALA 43 Ca 0.37 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 3hni s ALA 43 Cb 0.21 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3hni s ALA 43 CO 0.40 -0.42 0.08 0.99 0.00 0.00 0.00 175.76 176.81 3hni s THR 44 N -1.62 4.43 0.41 0.00 2.01 -1.26 -5.03 115.64 114.57 3hni s THR 44 Ca 0.61 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 62.24 3hni s THR 44 Cb -0.25 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 3hni s THR 44 CO 0.30 0.35 1.05 -2.16 -0.69 0.00 0.00 174.62 173.47 3hni s PRO 45 N 1.46 4.13 0.40 4.92 0.04 -1.26 -4.92 135.00 139.78 3hni s PRO 45 Ca 0.06 1.51 0.19 0.00 0.04 0.00 0.00 61.00 62.79 3hni s PRO 45 Cb -0.15 -2.51 1.10 0.00 0.04 0.00 0.00 34.50 32.99 3hni s PRO 45 CO 0.04 -0.17 1.78 -1.00 0.04 0.00 0.00 177.00 177.69 3hni h PRO 46 N 2.42 0.38 0.00 0.56 0.13 -1.99 -0.33 132.00 133.17 3hni h PRO 46 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hni h PRO 46 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hni h PRO 46 CO 0.62 0.25 0.00 -0.22 -0.23 0.00 0.00 178.00 178.42 3hni h LYS 47 N 0.39 0.00 -0.09 0.86 3.64 -1.93 -3.09 116.57 116.35 3hni h LYS 47 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3hni h LYS 47 Cb 1.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3hni h LYS 47 CO -0.28 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.18 3hni n LEU 48 N -2.43 2.86 -0.21 5.20 4.77 -0.16 -4.70 117.00 122.33 3hni n LEU 48 Ca 0.03 -3.01 0.01 0.00 -0.03 0.00 0.00 56.01 53.01 3hni n LEU 48 Cb 0.31 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.21 3hni n LEU 48 CO 0.25 0.69 1.24 -0.33 -1.33 0.00 0.00 177.39 177.91 3hni h GLU 49 N 0.64 0.97 0.00 3.23 5.08 -1.42 -2.31 114.58 120.77 3hni h GLU 49 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hni h GLU 49 Cb 1.13 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3hni h GLU 49 CO 0.08 0.64 0.00 -0.40 -1.00 0.00 0.00 179.01 178.32 3hni n ASP 50 N -4.43 0.00 -4.88 1.42 5.75 -1.26 -4.82 116.55 108.34 3hni n ASP 50 Ca 0.08 -0.08 -0.33 0.00 -0.01 0.00 0.00 54.79 54.46 3hni n ASP 50 Cb 0.05 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.60 3.75 0.38 0.11 -0.14 -0.87 -5.07 119.74 115.30 3hni s LYS 51 Ca 0.26 0.15 -0.27 0.00 -1.36 0.00 0.00 55.97 54.76 3hni s LYS 51 Cb 0.19 -2.82 -0.11 0.00 -1.68 0.00 0.00 37.83 33.41 3hni s LYS 51 CO 0.44 0.44 1.27 0.45 -0.76 0.00 0.00 175.35 177.19 3hni n SER 52 N 0.26 2.63 0.24 2.83 2.88 -1.26 -4.89 113.62 116.31 3hni n SER 52 Ca -0.03 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.82 3hni n SER 52 Cb 0.52 -1.49 0.86 0.00 -0.75 0.00 0.00 64.21 63.35 3hni n SER 52 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hni h PRO 53 N 2.29 0.00 -0.94 -1.46 0.13 -1.95 -0.73 132.00 129.35 3hni h PRO 53 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3hni h PRO 53 Cb 1.29 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.00 3hni h PRO 53 CO 0.61 0.00 -0.71 -3.47 -0.23 0.00 0.00 178.00 174.21 3hni n ASP 54 N -3.86 5.04 -4.86 1.44 4.64 -1.26 -4.81 116.55 112.87 3hni n ASP 54 Ca -0.00 -3.75 -0.31 0.00 -1.38 0.00 0.00 54.79 49.35 3hni n ASP 54 Cb 0.21 -0.40 0.03 0.00 -1.04 0.00 0.00 41.12 39.93 3hni n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3hni s SER 55 N -3.48 5.71 0.30 1.67 1.04 -0.28 -4.91 113.70 113.75 3hni s SER 55 Ca 0.51 1.32 0.01 0.00 0.48 0.00 0.00 55.95 58.28 3hni s SER 55 Cb 0.41 -2.24 0.55 0.00 0.10 0.00 0.00 66.02 64.84 3hni s SER 55 CO -0.02 -1.19 1.89 -0.65 0.98 0.00 0.00 173.24 174.25 3hni h PRO 56 N -0.55 0.98 -0.75 4.02 0.11 -1.97 -1.09 132.00 132.75 3hni h PRO 56 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3hni h PRO 56 Cb 1.22 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3hni h PRO 56 CO 0.62 0.65 0.23 0.93 -0.21 0.00 0.00 178.00 180.22 3hni h GLU 57 N 1.01 1.16 -0.06 1.05 3.07 -1.94 -1.08 114.58 117.79 3hni h GLU 57 Ca 0.42 -0.25 -0.14 0.00 -0.50 0.00 0.00 59.36 58.89 3hni h GLU 57 Cb 0.30 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3hni h GLU 57 CO -0.18 0.99 -0.59 0.52 -1.40 0.00 0.00 179.01 178.35 3hni h MET 58 N 1.11 0.20 -0.57 2.33 2.86 -1.74 0.62 114.93 119.75 3hni h MET 58 Ca 0.24 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 3hni h MET 58 Cb 0.31 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3hni h MET 58 CO -0.01 0.73 -0.07 1.25 1.06 0.00 0.00 176.91 179.87 3hni h HIS 59 N 0.15 1.16 -0.21 -0.22 -0.00 -0.99 -1.93 115.15 113.12 3hni h HIS 59 Ca -0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 60.37 60.02 3hni h HIS 59 Cb 1.07 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 3hni h HIS 59 CO 0.02 1.05 -0.39 0.22 -0.00 0.00 0.00 177.93 178.83 3hni h ASP 60 N 0.94 0.49 0.34 3.26 3.58 -0.92 -0.32 116.42 123.78 3hni h ASP 60 Ca 0.15 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 3hni h ASP 60 Cb 0.64 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 3hni h ASP 60 CO 0.04 0.83 -0.34 0.15 -2.88 0.00 0.00 179.24 177.05 3hni h PHE 61 N 0.39 -0.92 -0.01 0.28 3.57 -0.78 -2.90 116.94 116.57 3hni h PHE 61 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3hni h PHE 61 Cb 0.86 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3hni h PHE 61 CO 0.03 -0.48 -0.22 0.00 -2.23 0.00 0.00 178.31 175.41 3hni h ARG 62 N -0.71 0.02 -0.74 1.11 3.08 -1.23 -2.77 114.38 113.14 3hni h ARG 62 Ca -0.02 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.12 3hni h ARG 62 Cb 0.64 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 3hni h ARG 62 CO -0.06 0.24 0.39 1.25 -1.07 0.00 0.00 179.97 180.71 3hni h HIS 63 N 0.02 0.70 -0.16 3.04 2.76 -0.85 -1.36 115.15 119.30 3hni h HIS 63 Ca 0.00 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3hni h HIS 63 Cb 0.40 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3hni h HIS 63 CO 0.00 0.27 0.11 0.78 -1.30 0.00 0.00 177.93 177.78 3hni h GLY 64 N 0.66 0.19 1.32 5.26 0.00 -1.41 -1.45 103.07 107.65 3hni h GLY 64 Ca 0.36 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 3hni h GLY 64 CO -0.26 0.07 -0.30 0.74 0.00 0.00 0.00 176.54 176.79 3hni h PHE 65 N 0.18 0.89 -0.36 5.60 0.05 -1.36 -1.64 116.94 120.30 3hni h PHE 65 Ca 0.06 -0.23 0.07 0.00 3.82 0.00 0.00 57.97 61.69 3hni h PHE 65 Cb 0.03 -0.20 -0.06 0.00 2.00 0.00 0.00 35.95 37.72 3hni h PHE 65 CO -0.00 0.97 -0.02 -1.49 -0.18 0.00 0.00 178.31 177.59 3hni h TRP 66 N 0.65 -0.05 -0.21 -0.55 6.55 -0.68 0.19 115.95 121.85 3hni h TRP 66 Ca 0.08 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 3hni h TRP 66 Cb 0.83 0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 29.19 3hni h TRP 66 CO 0.04 -0.08 0.12 0.82 -1.05 0.00 0.00 178.44 178.29 3hni h ILE 67 N 0.08 1.10 -0.42 1.49 1.08 -1.28 -0.68 117.51 118.89 3hni h ILE 67 Ca 0.17 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3hni h ILE 67 Cb 0.25 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3hni h ILE 67 CO -0.30 0.10 0.15 0.25 -0.69 0.00 0.00 178.15 177.66 3hni h LEU 68 N 0.25 0.58 -0.38 1.44 5.85 -1.02 -1.66 115.31 120.38 3hni h LEU 68 Ca 0.08 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hni h LEU 68 Cb 0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hni h LEU 68 CO -0.01 0.61 0.23 0.40 -0.34 0.00 0.00 178.44 179.32 3hni h ILE 69 N 0.53 1.05 -0.87 4.05 2.04 -0.42 -1.36 117.51 122.52 3hni h ILE 69 Ca 0.14 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3hni h ILE 69 Cb 0.21 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3hni h ILE 69 CO -0.01 0.08 0.55 1.23 0.00 0.00 0.00 178.15 180.01 3hni h GLY 70 N 0.46 1.30 1.04 5.37 0.00 -0.90 -0.81 103.07 109.53 3hni h GLY 70 Ca 0.15 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3hni h GLY 70 CO -0.06 0.30 -0.14 1.46 0.00 0.00 0.00 176.54 178.09 3hni h GLN 71 N 1.03 0.88 -0.39 4.80 4.20 -0.87 -1.54 115.11 123.22 3hni h GLN 71 Ca 0.37 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3hni h GLN 71 Cb 0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hni h GLN 71 CO -0.15 1.00 0.14 0.82 -0.67 0.00 0.00 178.83 179.97 3hni h ILE 72 N 0.72 1.20 -0.41 2.54 2.04 -1.05 -0.74 117.51 121.81 3hni h ILE 72 Ca 0.11 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.41 3hni h ILE 72 Cb 0.70 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3hni h ILE 72 CO 0.05 0.23 -0.30 -0.74 0.00 0.00 0.00 178.15 177.39 3hni h HIS 73 N 0.48 -0.81 -0.34 1.37 2.76 -1.00 0.12 115.15 117.74 3hni h HIS 73 Ca 0.13 0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3hni h HIS 73 Cb 0.22 0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3hni h HIS 73 CO 0.00 -0.36 -0.02 0.22 -1.30 0.00 0.00 177.93 176.47 3hni h ASP 74 N -0.22 0.60 -0.95 3.26 3.58 -1.02 -2.72 116.42 118.95 3hni h ASP 74 Ca 0.18 -0.32 0.04 0.00 0.42 0.00 0.00 57.03 57.35 3hni h ASP 74 Cb 0.52 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 3hni h ASP 74 CO -0.54 0.78 0.62 0.00 -2.88 0.00 0.00 179.24 177.22 3hni h ALA 75 N 0.84 1.39 -0.73 -0.78 0.00 -0.75 -1.71 119.26 117.53 3hni h ALA 75 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hni h ALA 75 Cb 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hni h ALA 75 CO 0.02 0.51 0.39 1.25 0.00 0.00 0.00 179.25 181.42 3hni h LEU 76 N 1.20 0.92 -0.53 0.00 5.85 -0.55 -0.74 115.31 121.46 3hni h LEU 76 Ca 0.38 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.05 3hni h LEU 76 Cb 0.02 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3hni h LEU 76 CO -0.12 0.76 0.26 0.45 -0.34 0.00 0.00 178.44 179.45 3hni h HIS 77 N 1.01 0.46 -0.14 1.25 3.86 -1.03 0.12 115.15 120.68 3hni h HIS 77 Ca 0.26 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3hni h HIS 77 Cb 0.06 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3hni h HIS 77 CO 0.00 0.21 -0.07 -0.07 0.86 0.00 0.00 177.93 178.86 3hni h LEU 78 N 0.49 -0.23 -0.56 2.43 3.38 -0.72 0.10 115.31 120.20 3hni h LEU 78 Ca 0.24 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.29 3hni h LEU 78 Cb 0.17 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3hni h LEU 78 CO -0.18 -0.09 0.34 0.00 0.09 0.00 0.00 178.44 178.59 3hni h ALA 79 N 1.07 0.73 -0.55 1.53 0.00 -0.84 -1.57 119.26 119.64 3hni h ALA 79 Ca 0.08 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3hni h ALA 79 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hni h ALA 79 CO -0.18 0.05 0.37 -0.91 0.00 0.00 0.00 179.25 178.59 3hni h ASN 80 N 0.67 0.34 0.34 0.00 -0.26 -0.16 0.20 115.58 116.71 3hni h ASN 80 Ca 0.23 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hni h ASN 80 Cb 0.04 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3hni h ASN 80 CO -0.10 0.21 0.00 -0.62 -1.06 0.00 0.00 177.43 175.86 3hni n GLU 81 N -4.47 0.54 -0.93 0.81 1.02 -0.03 -4.88 120.64 112.70 3hni n GLU 81 Ca 0.09 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3hni n GLU 81 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.92 0.50 3.06 0.62 0.00 0.69 -4.95 105.19 106.02 3hni n GLY 82 Ca 0.15 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 3.70 0.14 1.61 5.02 -0.67 -4.83 118.16 120.19 3hni n LYS 83 Ca 0.00 -3.83 -0.14 0.00 -2.02 0.00 0.00 58.31 52.32 3hni n LYS 83 Cb 0.00 -2.86 -0.08 0.00 -0.02 0.00 0.00 35.03 32.07 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 3.89 0.82 -0.45 -0.18 2.07 -1.87 -0.53 116.25 119.99 3hni h VAL 84 Ca 0.33 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.78 3hni h VAL 84 Cb 0.70 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hni h VAL 84 CO 1.45 0.02 0.27 0.11 0.02 0.00 0.00 177.57 179.45 3hni h LYS 85 N -0.32 0.54 0.00 1.57 1.57 -1.98 0.49 116.57 118.44 3hni h LYS 85 Ca -0.03 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3hni h LYS 85 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hni h LYS 85 CO 0.05 0.35 -0.55 1.05 -0.57 0.00 0.00 179.45 179.78 3hni h GLU 86 N 0.55 0.00 -0.45 3.15 9.09 -1.95 0.21 114.58 125.18 3hni h GLU 86 Ca 0.18 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.46 3hni h GLU 86 Cb -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 3hni h GLU 86 CO -0.07 0.55 -0.22 0.00 0.05 0.00 0.00 179.01 179.32 3hni h ALA 87 N 1.45 0.64 -0.47 1.06 0.00 -0.73 -0.43 119.26 120.78 3hni h ALA 87 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3hni h ALA 87 Cb 1.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hni h ALA 87 CO 0.07 0.63 0.11 1.96 0.00 0.00 0.00 179.25 182.02 3hni h GLN 88 N 0.80 0.71 -0.26 0.00 4.20 -0.54 -0.66 115.11 119.35 3hni h GLN 88 Ca 0.10 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3hni h GLN 88 Cb 0.80 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 3hni h GLN 88 CO 0.07 0.65 -0.23 0.00 -0.67 0.00 0.00 178.83 178.64 3hni h ALA 89 N 1.43 0.38 -0.96 3.87 0.00 -0.80 -0.80 119.26 122.39 3hni h ALA 89 Ca 0.15 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 89 Cb 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3hni h ALA 89 CO -0.00 0.35 0.60 0.00 0.00 0.00 0.00 179.25 180.19 3hni h ALA 90 N 0.69 1.37 -0.50 0.00 0.00 -0.88 -0.46 119.26 119.49 3hni h ALA 90 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hni h ALA 90 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hni h ALA 90 CO 0.06 0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.59 3hni h ALA 91 N 1.48 0.67 -0.82 0.00 0.00 -0.91 -1.92 119.26 117.76 3hni h ALA 91 Ca 0.44 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hni h ALA 91 Cb 0.32 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3hni h ALA 91 CO -0.22 0.48 0.54 0.93 0.00 0.00 0.00 179.25 180.98 3hni h GLU 92 N 0.74 1.04 -0.42 0.00 4.39 -0.40 -3.08 114.58 116.85 3hni h GLU 92 Ca 0.14 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3hni h GLU 92 Cb 0.52 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3hni h GLU 92 CO 0.03 0.69 -0.07 1.96 -1.16 0.00 0.00 179.01 180.45 3hni h GLN 93 N 1.07 0.72 0.00 2.33 4.20 -0.88 -2.80 115.11 119.75 3hni h GLN 93 Ca 0.31 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hni h GLN 93 Cb -0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3hni h GLN 93 CO -0.09 0.78 0.00 1.47 -0.67 0.00 0.00 178.83 180.32 3hni n LEU 94 N -4.19 0.27 -0.11 1.46 -0.00 -0.74 -2.33 117.00 111.35 3hni n LEU 94 Ca 0.02 0.57 0.15 0.00 -0.00 0.00 0.00 56.01 56.75 3hni n LEU 94 Cb 0.33 -0.54 0.53 0.00 -0.00 0.00 0.00 43.42 43.74 3hni n LEU 94 CO 0.42 -0.41 1.20 0.11 -0.00 0.00 0.00 177.39 178.71 3hni h LYS 95 N 0.00 0.34 -0.98 1.47 1.57 -1.57 0.37 116.57 117.77 3hni h LYS 95 Ca 0.00 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3hni h LYS 95 Cb 0.27 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 3hni h LYS 95 CO 0.00 0.22 0.62 1.15 -0.57 0.00 0.00 179.45 180.88 3hni h THR 96 N 0.35 0.97 -0.17 -0.16 2.02 -1.67 0.70 112.91 114.94 3hni h THR 96 Ca 0.32 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3hni h THR 96 Cb 0.77 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3hni h THR 96 CO -0.09 0.18 -0.12 0.74 0.37 0.00 0.00 175.52 176.61 3hni h THR 97 N 1.01 1.33 -0.26 3.16 2.02 -1.13 -0.89 112.91 118.14 3hni h THR 97 Ca 0.46 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 66.47 3hni h THR 97 Cb 0.41 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 3hni h THR 97 CO -0.22 0.37 -0.20 0.00 0.37 0.00 0.00 175.52 175.83 3hni h ASN 99 N -0.19 0.94 -0.91 0.00 -0.26 -0.83 -2.13 115.58 112.20 3hni h ASN 99 Ca 0.14 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 3hni h ASN 99 Cb 0.41 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 3hni h ASN 99 CO -0.38 1.04 0.55 0.00 -1.06 0.00 0.00 177.43 177.59 3hni h ALA 100 N 0.93 1.17 -0.26 -0.83 0.00 -1.04 0.18 119.26 119.40 3hni h ALA 100 Ca 0.14 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3hni h ALA 100 Cb 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hni h ALA 100 CO 0.04 0.62 -0.53 0.00 0.00 0.00 0.00 179.25 179.38 3hni h HIS 102 N 0.59 1.17 -0.95 0.00 -0.00 -0.81 0.21 115.15 115.37 3hni h HIS 102 Ca 0.01 -0.14 0.15 0.00 -0.00 0.00 0.00 60.37 60.39 3hni h HIS 102 Cb 1.14 -0.33 -0.10 0.00 -0.00 0.00 0.00 27.41 28.13 3hni h HIS 102 CO 0.08 0.95 0.55 0.37 -0.00 0.00 0.00 177.93 179.88 3hni h GLN 103 N 1.05 0.76 0.06 2.45 4.15 -0.65 -1.80 115.11 121.13 3hni h GLN 103 Ca 0.22 -0.05 -0.34 0.00 0.77 0.00 0.00 58.65 59.25 3hni h GLN 103 Cb 0.36 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3hni h GLN 103 CO 0.00 0.50 -1.96 1.63 -1.93 0.00 0.00 178.83 177.07 3hni n LYS 104 N -4.76 0.70 0.00 1.69 5.02 -1.09 -4.76 118.16 114.95 3hni n LYS 104 Ca 0.20 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3hni n LYS 104 Cb 0.46 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.25 0.00 1.33 2.13 0.53 0.04 -5.11 117.16 112.84 3hni n TYR 105 Ca -0.28 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.74 3hni n TYR 105 Cb 1.05 0.00 0.38 0.00 -1.03 0.00 0.00 39.34 39.74 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71