#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 3.16 0.17 0.00 -0.00 -1.26 -4.87 116.67 113.87 3hni s ASP 2 Ca 0.00 0.43 -0.15 0.00 -0.00 0.00 0.00 52.55 52.83 3hni s ASP 2 Cb 0.00 -0.59 0.07 0.00 -0.00 0.00 0.00 42.92 42.40 3hni s ASP 2 CO 0.00 -2.72 1.81 -0.07 -0.00 0.00 0.00 175.17 174.19 3hni h LEU 3 N -1.63 0.46 -0.33 1.23 3.38 -1.94 -2.13 115.31 114.35 3hni h LEU 3 Ca -0.45 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3hni h LEU 3 Cb 1.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3hni h LEU 3 CO 0.44 0.33 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 3hni h GLU 4 N 0.56 0.26 -0.28 1.13 5.08 -1.98 0.11 114.58 119.46 3hni h GLU 4 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hni h GLU 4 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hni h GLU 4 CO -0.08 0.17 0.18 -0.44 -1.00 0.00 0.00 179.01 177.84 3hni h ASP 5 N 0.27 0.32 -0.51 1.42 3.32 -1.90 0.19 116.42 119.52 3hni h ASP 5 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3hni h ASP 5 Cb 0.11 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3hni h ASP 5 CO -0.14 0.23 0.25 0.78 -1.72 0.00 0.00 179.24 178.64 3hni h ASN 6 N 0.37 0.70 -0.46 6.45 2.35 -1.12 -0.69 115.58 123.18 3hni h ASN 6 Ca 0.10 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 3hni h ASN 6 Cb -0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3hni h ASN 6 CO -0.02 0.61 -0.23 0.24 -1.65 0.00 0.00 177.43 176.37 3hni h MET 7 N 0.77 0.98 -0.43 0.81 2.86 -0.23 -1.23 114.93 118.47 3hni h MET 7 Ca 0.19 -0.43 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 3hni h MET 7 Cb 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3hni h MET 7 CO -0.02 1.10 -0.14 0.93 1.06 0.00 0.00 176.91 179.84 3hni h GLU 8 N 0.84 0.86 -0.41 1.72 4.39 -0.67 -0.35 114.58 120.96 3hni h GLU 8 Ca 0.11 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 59.52 3hni h GLU 8 Cb 0.81 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 3hni h GLU 8 CO 0.07 0.98 0.08 1.15 -1.16 0.00 0.00 179.01 180.13 3hni h THR 9 N 0.68 0.79 -0.27 1.13 2.02 -1.03 0.32 112.91 116.55 3hni h THR 9 Ca 0.10 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3hni h THR 9 Cb 0.69 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3hni h THR 9 CO 0.05 0.04 0.02 -0.07 0.37 0.00 0.00 175.52 175.92 3hni h LEU 10 N 0.21 -0.07 0.23 2.58 4.07 -1.13 -2.04 115.31 119.16 3hni h LEU 10 Ca 0.20 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 3hni h LEU 10 Cb 0.24 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3hni h LEU 10 CO -0.26 -0.00 -0.11 -1.13 -1.08 0.00 0.00 178.44 175.86 3hni h ASN 11 N 0.10 -0.26 -0.44 -0.43 -1.24 -0.24 -2.15 115.58 110.92 3hni h ASN 11 Ca 0.13 -0.14 0.08 0.00 0.71 0.00 0.00 56.30 57.09 3hni h ASN 11 Cb 0.16 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.20 3hni h ASN 11 CO -0.20 -0.01 -0.01 0.44 -1.29 0.00 0.00 177.43 176.36 3hni h ASP 12 N -0.52 -0.20 1.40 1.15 3.32 -0.40 -2.81 116.42 118.36 3hni h ASP 12 Ca -0.03 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3hni h ASP 12 Cb 0.38 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3hni h ASP 12 CO 0.05 -0.06 -0.30 0.78 -1.72 0.00 0.00 179.24 177.99 3hni h ASN 13 N 0.10 0.00 -0.70 6.45 4.21 -1.34 -2.36 115.58 121.94 3hni h ASN 13 Ca 0.22 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 3hni h ASN 13 Cb 0.32 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 3hni h ASN 13 CO -0.37 0.30 0.36 0.25 -1.29 0.00 0.00 177.43 176.68 3hni h LEU 14 N 0.00 0.89 -0.70 1.61 5.85 -1.14 -1.59 115.31 120.23 3hni h LEU 14 Ca -0.00 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3hni h LEU 14 Cb 1.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3hni h LEU 14 CO 0.04 0.75 -0.12 0.11 -0.34 0.00 0.00 178.44 178.88 3hni h LYS 15 N 0.96 0.88 -0.67 1.25 1.57 -1.30 -2.32 116.57 116.94 3hni h LYS 15 Ca 0.24 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hni h LYS 15 Cb 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3hni h LYS 15 CO -0.03 0.95 0.40 0.28 -0.57 0.00 0.00 179.45 180.48 3hni h VAL 16 N 0.78 1.06 -0.54 0.50 2.07 -1.23 -2.18 116.25 116.71 3hni h VAL 16 Ca 0.13 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hni h VAL 16 Cb 0.64 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3hni h VAL 16 CO 0.04 0.14 0.28 0.40 0.02 0.00 0.00 177.57 178.46 3hni h ILE 17 N 0.78 1.19 -0.62 4.57 2.04 -1.09 -1.51 117.51 122.87 3hni h ILE 17 Ca 0.27 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3hni h ILE 17 Cb 0.06 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3hni h ILE 17 CO -0.12 0.21 0.38 -0.33 0.00 0.00 0.00 178.15 178.29 3hni h GLU 18 N 0.72 0.73 -0.00 2.37 5.08 -1.08 -2.83 114.58 119.57 3hni h GLU 18 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hni h GLU 18 Cb 0.08 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hni h GLU 18 CO -0.03 0.48 -0.23 1.63 -1.00 0.00 0.00 179.01 179.86 3hni n LYS 19 N -4.72 0.42 -1.98 2.33 5.02 -0.85 -4.96 118.16 113.42 3hni n LYS 19 Ca 0.06 -0.19 -0.36 0.00 -2.02 0.00 0.00 58.31 55.81 3hni n LYS 19 Cb 0.08 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.71 2.52 -0.37 7.82 0.00 -0.58 -4.97 121.76 123.47 3hni s ALA 20 Ca 0.21 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.24 3hni s ALA 20 Cb 0.19 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3hni s ALA 20 CO 0.55 -1.20 0.34 -3.47 0.00 0.00 0.00 175.76 171.98 3hni n ASP 21 N -1.67 0.45 -3.85 0.00 4.64 -1.26 -5.05 116.55 109.81 3hni n ASP 21 Ca 0.14 -0.67 -0.10 0.00 -1.38 0.00 0.00 54.79 52.78 3hni n ASP 21 Cb 0.50 1.01 -0.06 0.00 -1.04 0.00 0.00 41.12 41.53 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hni s ASN 22 N -1.79 -0.06 0.19 1.67 2.20 -1.26 -5.07 114.94 110.82 3hni s ASN 22 Ca 0.03 -0.67 -0.10 0.00 -0.94 0.00 0.00 52.86 51.17 3hni s ASN 22 Cb 0.06 0.47 0.12 0.00 -2.00 0.00 0.00 41.25 39.90 3hni s ASN 22 CO 0.33 -0.91 1.78 0.00 -2.94 0.00 0.00 177.10 175.36 3hni h ALA 23 N 2.45 0.90 -0.97 3.54 0.00 -1.93 -3.10 119.26 120.15 3hni h ALA 23 Ca -0.31 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3hni h ALA 23 Cb 1.24 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3hni h ALA 23 CO 0.46 0.48 0.64 0.00 0.00 0.00 0.00 179.25 180.83 3hni h ALA 24 N 1.16 1.26 -0.33 0.00 0.00 -1.97 0.35 119.26 119.73 3hni h ALA 24 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hni h ALA 24 Cb 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hni h ALA 24 CO -0.03 0.57 0.16 1.96 0.00 0.00 0.00 179.25 181.91 3hni h GLN 25 N 1.27 0.47 -0.10 0.00 4.20 -1.97 -0.94 115.11 118.04 3hni h GLN 25 Ca 0.37 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 3hni h GLN 25 Cb -0.07 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3hni h GLN 25 CO -0.10 0.43 -0.02 0.28 -0.67 0.00 0.00 178.83 178.75 3hni h VAL 26 N 0.39 1.29 -0.31 -0.54 2.07 -1.30 -2.16 116.25 115.68 3hni h VAL 26 Ca 0.11 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3hni h VAL 26 Cb 0.12 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 3hni h VAL 26 CO -0.01 0.27 -0.44 0.11 0.02 0.00 0.00 177.57 177.52 3hni h LYS 27 N -0.13 -0.37 -0.62 1.57 1.57 -0.32 -0.30 116.57 117.97 3hni h LYS 27 Ca 0.03 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3hni h LYS 27 Cb 0.43 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 3hni h LYS 27 CO 0.01 -0.25 0.33 0.22 -0.57 0.00 0.00 179.45 179.19 3hni h ASP 28 N -0.39 0.48 -0.49 0.86 -0.00 -1.14 -1.23 116.42 114.52 3hni h ASP 28 Ca 0.11 0.03 -0.12 0.00 -0.00 0.00 0.00 57.03 57.06 3hni h ASP 28 Cb 0.60 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 3hni h ASP 28 CO -0.52 0.31 -0.15 0.00 -0.00 0.00 0.00 179.24 178.88 3hni h ALA 29 N 1.33 0.68 -0.47 -0.78 0.00 -1.01 -2.56 119.26 116.45 3hni h ALA 29 Ca 0.28 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3hni h ALA 29 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hni h ALA 29 CO -0.18 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.44 3hni h LEU 30 N 0.82 0.94 -0.58 0.00 3.38 -0.75 -1.84 115.31 117.29 3hni h LEU 30 Ca 0.12 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hni h LEU 30 Cb 0.72 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3hni h LEU 30 CO 0.06 1.09 0.29 0.74 0.09 0.00 0.00 178.44 180.71 3hni h THR 31 N 0.81 0.94 -0.45 0.22 2.02 -1.14 -0.08 112.91 115.22 3hni h THR 31 Ca 0.12 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3hni h THR 31 Cb 0.73 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3hni h THR 31 CO 0.06 0.10 0.10 0.11 0.37 0.00 0.00 175.52 176.26 3hni h LYS 32 N 0.56 0.74 -0.90 6.66 1.57 -1.26 -2.65 116.57 121.29 3hni h LYS 32 Ca 0.26 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3hni h LYS 32 Cb 0.18 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3hni h LYS 32 CO -0.18 0.74 0.59 0.52 -0.57 0.00 0.00 179.45 180.54 3hni h MET 33 N 0.61 1.12 -0.54 3.15 2.86 -0.90 -1.39 114.93 119.84 3hni h MET 33 Ca 0.14 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hni h MET 33 Cb 0.34 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3hni h MET 33 CO 0.00 0.74 0.33 0.00 1.06 0.00 0.00 176.91 179.04 3hni h ALA 34 N 1.36 0.69 -0.57 6.32 0.00 -0.84 0.12 119.26 126.33 3hni h ALA 34 Ca 0.35 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3hni h ALA 34 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hni h ALA 34 CO -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.31 3hni h ALA 35 N 1.16 0.77 -0.52 0.00 0.00 -1.21 -0.87 119.26 118.58 3hni h ALA 35 Ca 0.19 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hni h ALA 35 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hni h ALA 35 CO -0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3hni h ALA 36 N 0.97 0.70 -0.34 0.00 0.00 -0.92 -1.30 119.26 118.37 3hni h ALA 36 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hni h ALA 36 Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hni h ALA 36 CO 0.03 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.83 3hni h ALA 37 N 0.95 0.45 -0.93 0.00 0.00 -0.61 -0.21 119.26 118.91 3hni h ALA 37 Ca 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hni h ALA 37 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3hni h ALA 37 CO 0.03 0.17 0.56 0.00 0.00 0.00 0.00 179.25 180.01 3hni h ALA 38 N 0.88 1.18 0.00 0.00 0.00 -1.14 -2.49 119.26 117.70 3hni h ALA 38 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hni h ALA 38 Cb 0.39 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hni h ALA 38 CO 0.01 0.63 -0.53 0.22 0.00 0.00 0.00 179.25 179.58 3hni h ASP 39 N 1.28 0.00 0.47 0.00 3.58 -0.99 -2.83 116.42 117.93 3hni h ASP 39 Ca 0.33 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 3hni h ASP 39 Cb -0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 3hni h ASP 39 CO -0.06 0.53 -0.12 0.00 -2.88 0.00 0.00 179.24 176.71 3hni h ALA 40 N 1.47 1.20 -0.94 -0.78 0.00 -0.58 -3.34 119.26 116.30 3hni h ALA 40 Ca -0.01 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.05 3hni h ALA 40 Cb 1.04 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 3hni h ALA 40 CO 0.07 0.15 0.46 2.35 0.00 0.00 0.00 179.25 182.27 3hni h TRP 41 N 0.00 0.76 -0.01 0.00 7.01 -1.32 -0.89 115.95 121.50 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 0.39 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 3hni h TRP 41 CO 0.00 -0.07 -0.02 -1.13 -2.79 0.00 0.00 178.44 174.43 3hni n SER 42 N -5.03 0.87 -4.81 2.65 3.41 -1.25 -4.93 113.62 104.53 3hni n SER 42 Ca 0.25 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.31 3hni n SER 42 Cb 0.75 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.07 3.03 -0.26 7.33 0.00 -0.34 -5.05 121.76 124.40 3hni s ALA 43 Ca 0.40 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3hni s ALA 43 Cb 0.21 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3hni s ALA 43 CO 0.37 0.05 0.08 0.99 0.00 0.00 0.00 175.76 177.25 3hni s THR 44 N -2.08 4.25 0.57 0.00 2.01 -1.26 -5.03 115.64 114.10 3hni s THR 44 Ca 0.62 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 3hni s THR 44 Cb -0.12 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3hni s THR 44 CO 0.16 0.26 1.07 -2.16 -0.69 0.00 0.00 174.62 173.26 3hni s PRO 45 N 1.59 3.36 0.36 4.92 0.04 -1.26 -4.89 135.00 139.11 3hni s PRO 45 Ca 0.05 1.34 0.09 0.00 0.04 0.00 0.00 61.00 62.52 3hni s PRO 45 Cb -0.16 -2.03 0.81 0.00 0.04 0.00 0.00 34.50 33.16 3hni s PRO 45 CO 0.03 -0.80 1.88 -1.35 0.04 0.00 0.00 177.00 176.80 3hni h PRO 46 N 0.77 0.68 0.00 0.56 0.11 -1.99 -0.60 132.00 131.53 3hni h PRO 46 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hni h PRO 46 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hni h PRO 46 CO 0.57 0.45 0.00 1.63 -0.21 0.00 0.00 178.00 180.44 3hni n LYS 47 N -4.55 0.05 -0.05 1.05 4.01 -1.26 -2.92 118.16 114.48 3hni n LYS 47 Ca 0.17 0.26 0.04 0.00 -0.51 0.00 0.00 58.31 58.27 3hni n LYS 47 Cb 0.44 -1.59 0.07 0.00 -0.51 0.00 0.00 35.03 33.44 3hni n LYS 47 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3hni n LEU 48 N -1.68 2.26 -0.25 -0.35 4.77 -0.26 -4.71 117.00 116.78 3hni n LEU 48 Ca 0.04 -2.44 0.06 0.00 -0.03 0.00 0.00 56.01 53.63 3hni n LEU 48 Cb 0.21 -0.19 0.30 0.00 -2.33 0.00 0.00 43.42 41.41 3hni n LEU 48 CO 0.17 0.60 1.23 -0.33 -1.33 0.00 0.00 177.39 177.73 3hni h GLU 49 N 0.19 0.85 -0.00 3.23 5.08 -1.36 -2.40 114.58 120.16 3hni h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hni h GLU 49 Cb 0.73 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3hni h GLU 49 CO 0.01 0.57 -0.03 -0.25 -1.00 0.00 0.00 179.01 178.31 3hni n ASP 50 N -4.49 0.42 -4.88 1.42 9.92 -1.26 -4.82 116.55 112.87 3hni n ASP 50 Ca 0.13 -0.93 -0.33 0.00 -0.53 0.00 0.00 54.79 53.12 3hni n ASP 50 Cb 0.24 -0.04 -0.05 0.00 -0.64 0.00 0.00 41.12 40.62 3hni n ASP 50 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hni s LYS 51 N -2.16 3.72 0.34 -1.24 -0.14 -0.91 -5.07 119.74 114.30 3hni s LYS 51 Ca 0.40 0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.84 3hni s LYS 51 Cb 0.21 -2.92 -0.12 0.00 -1.68 0.00 0.00 37.83 33.33 3hni s LYS 51 CO 0.39 0.51 1.34 0.45 -0.76 0.00 0.00 175.35 177.28 3hni n SER 52 N 0.56 3.01 0.21 2.83 2.88 -1.26 -4.88 113.62 116.96 3hni n SER 52 Ca -0.05 1.21 0.18 0.00 -1.33 0.00 0.00 58.87 58.88 3hni n SER 52 Cb 0.52 -1.51 0.84 0.00 -0.75 0.00 0.00 64.21 63.30 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 2.74 0.00 -0.65 -1.46 0.11 -1.94 -1.04 132.00 129.76 3hni h PRO 53 Ca -0.47 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.17 3hni h PRO 53 Cb 1.27 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.03 3hni h PRO 53 CO 0.64 0.00 -0.68 -3.47 -0.21 0.00 0.00 178.00 174.27 3hni n ASP 54 N -3.55 4.55 -4.87 -2.05 4.64 -1.26 -4.82 116.55 109.19 3hni n ASP 54 Ca 0.02 -3.77 -0.30 0.00 -1.38 0.00 0.00 54.79 49.36 3hni n ASP 54 Cb 0.39 -0.40 0.07 0.00 -1.04 0.00 0.00 41.12 40.14 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 -3.45 4.92 0.26 1.67 1.04 -0.40 -4.90 113.70 112.85 3hni s SER 55 Ca 0.50 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 3hni s SER 55 Cb 0.41 -1.72 0.35 0.00 0.10 0.00 0.00 66.02 65.16 3hni s SER 55 CO 0.02 -1.67 1.91 1.55 0.98 0.00 0.00 173.24 176.03 3hni h PRO 56 N -0.89 1.22 -0.55 4.02 0.13 -1.97 -1.18 132.00 132.79 3hni h PRO 56 Ca -0.46 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 3hni h PRO 56 Cb 1.28 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3hni h PRO 56 CO 0.64 0.81 0.12 0.93 -0.23 0.00 0.00 178.00 180.26 3hni h GLU 57 N 1.26 0.89 -0.18 0.86 4.39 -1.94 -1.17 114.58 118.69 3hni h GLU 57 Ca 0.40 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 3hni h GLU 57 Cb 0.01 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3hni h GLU 57 CO -0.13 0.84 -0.43 0.52 -1.16 0.00 0.00 179.01 178.66 3hni h MET 58 N 0.78 0.43 -0.55 2.33 2.86 -1.76 0.14 114.93 119.15 3hni h MET 58 Ca 0.17 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hni h MET 58 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3hni h MET 58 CO 0.01 0.78 0.35 0.45 1.06 0.00 0.00 176.91 179.56 3hni h HIS 59 N 0.35 0.69 -0.26 -0.22 3.86 -1.04 -1.43 115.15 117.11 3hni h HIS 59 Ca 0.03 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 3hni h HIS 59 Cb 0.90 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 3hni h HIS 59 CO 0.03 0.45 -0.35 0.22 0.86 0.00 0.00 177.93 179.14 3hni h ASP 60 N 0.74 0.59 0.18 2.45 3.58 -0.90 -0.89 116.42 122.16 3hni h ASP 60 Ca 0.20 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 3hni h ASP 60 Cb -0.07 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.82 3hni h ASP 60 CO -0.04 0.89 -0.08 0.15 -2.88 0.00 0.00 179.24 177.27 3hni h PHE 61 N 0.48 -0.22 -0.07 0.28 3.57 -0.80 -2.62 116.94 117.57 3hni h PHE 61 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hni h PHE 61 Cb 0.83 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3hni h PHE 61 CO 0.03 -0.12 -0.09 0.00 -2.23 0.00 0.00 178.31 175.91 3hni h ARG 62 N -0.26 0.09 -0.83 1.11 3.08 -1.17 -2.51 114.38 113.90 3hni h ARG 62 Ca -0.02 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hni h ARG 62 Cb 0.20 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3hni h ARG 62 CO 0.04 0.19 0.55 1.25 -1.07 0.00 0.00 179.97 180.93 3hni h HIS 63 N 0.09 1.02 0.00 3.04 2.76 -0.78 -1.30 115.15 119.99 3hni h HIS 63 Ca 0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3hni h HIS 63 Cb 0.22 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 3hni h HIS 63 CO 0.00 0.63 -0.09 0.78 -1.30 0.00 0.00 177.93 177.95 3hni h GLY 64 N 1.09 0.00 1.58 5.26 0.00 -1.32 -1.64 103.07 108.04 3hni h GLY 64 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 3hni h GLY 64 CO -0.08 0.00 -0.82 0.74 0.00 0.00 0.00 176.54 176.38 3hni h PHE 65 N 0.00 0.56 -0.25 5.60 0.05 -1.32 -1.94 116.94 119.63 3hni h PHE 65 Ca -0.00 -0.27 0.04 0.00 3.82 0.00 0.00 57.97 61.56 3hni h PHE 65 Cb 0.17 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.01 3hni h PHE 65 CO 0.00 1.06 -0.02 -1.49 -0.18 0.00 0.00 178.31 177.68 3hni h TRP 66 N 0.25 -0.05 -0.21 -0.55 6.55 -0.85 0.13 115.95 121.22 3hni h TRP 66 Ca -0.05 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.83 3hni h TRP 66 Cb 1.42 0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 29.76 3hni h TRP 66 CO 0.05 -0.06 0.09 0.82 -1.05 0.00 0.00 178.44 178.29 3hni h ILE 67 N 0.05 0.97 -0.26 1.49 1.08 -1.29 -0.95 117.51 118.61 3hni h ILE 67 Ca 0.12 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3hni h ILE 67 Cb 0.16 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3hni h ILE 67 CO -0.22 0.04 0.06 0.25 -0.69 0.00 0.00 178.15 177.59 3hni h LEU 68 N 0.20 0.40 -0.45 1.44 5.85 -1.17 -1.66 115.31 119.92 3hni h LEU 68 Ca 0.09 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3hni h LEU 68 Cb 0.04 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3hni h LEU 68 CO -0.07 0.54 0.14 0.40 -0.34 0.00 0.00 178.44 179.11 3hni h ILE 69 N 0.25 0.83 -0.76 4.05 2.04 -0.63 -0.59 117.51 122.69 3hni h ILE 69 Ca 0.08 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3hni h ILE 69 Cb 0.30 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3hni h ILE 69 CO 0.00 0.06 0.50 1.23 0.00 0.00 0.00 178.15 179.94 3hni h GLY 70 N 0.31 1.07 1.10 5.37 0.00 -0.92 -1.07 103.07 108.92 3hni h GLY 70 Ca 0.22 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 3hni h GLY 70 CO -0.24 0.32 -0.67 1.46 0.00 0.00 0.00 176.54 177.42 3hni h GLN 71 N 0.94 0.75 -0.55 4.80 4.20 -0.68 -2.32 115.11 122.25 3hni h GLN 71 Ca 0.30 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3hni h GLN 71 Cb 0.04 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3hni h GLN 71 CO -0.09 1.20 0.31 0.82 -0.67 0.00 0.00 178.83 180.40 3hni h ILE 72 N 0.47 1.18 -0.26 2.54 2.04 -0.94 -1.30 117.51 121.24 3hni h ILE 72 Ca -0.04 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.45 3hni h ILE 72 Cb 1.29 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3hni h ILE 72 CO 0.14 0.19 -0.14 -0.74 0.00 0.00 0.00 178.15 177.60 3hni h HIS 73 N 0.73 -0.35 -0.45 1.37 2.76 -1.10 0.63 115.15 118.74 3hni h HIS 73 Ca 0.19 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 3hni h HIS 73 Cb 0.03 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3hni h HIS 73 CO -0.02 -0.21 -0.28 0.22 -1.30 0.00 0.00 177.93 176.34 3hni h ASP 74 N -0.11 1.03 -0.52 3.26 1.82 -1.22 -2.74 116.42 117.93 3hni h ASP 74 Ca 0.14 -0.42 -0.06 0.00 -0.39 0.00 0.00 57.03 56.30 3hni h ASP 74 Cb 0.32 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 3hni h ASP 74 CO -0.33 1.23 0.12 0.00 -1.61 0.00 0.00 179.24 178.65 3hni h ALA 75 N 0.83 1.14 -0.63 -0.78 0.00 -0.83 -1.87 119.26 117.12 3hni h ALA 75 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 75 Cb 0.87 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hni h ALA 75 CO 0.08 0.58 0.41 1.25 0.00 0.00 0.00 179.25 181.56 3hni h LEU 76 N 0.86 0.73 -0.58 0.00 7.12 -0.75 -0.76 115.31 121.92 3hni h LEU 76 Ca 0.18 -0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.21 3hni h LEU 76 Cb 0.33 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 3hni h LEU 76 CO 0.00 0.54 0.32 0.45 -0.13 0.00 0.00 178.44 179.63 3hni h HIS 77 N 0.85 0.59 -0.61 1.25 3.86 -1.11 0.24 115.15 120.21 3hni h HIS 77 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3hni h HIS 77 Cb -0.08 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 3hni h HIS 77 CO -0.03 0.30 0.28 -0.07 0.86 0.00 0.00 177.93 179.28 3hni h LEU 78 N 0.61 0.82 -0.23 2.43 3.38 -0.74 -0.49 115.31 121.09 3hni h LEU 78 Ca 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hni h LEU 78 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hni h LEU 78 CO -0.15 0.73 0.11 0.00 0.09 0.00 0.00 178.44 179.22 3hni h ALA 79 N 1.12 0.30 -0.85 1.53 0.00 -0.79 -0.65 119.26 119.91 3hni h ALA 79 Ca 0.21 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.23 3hni h ALA 79 Cb 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3hni h ALA 79 CO -0.02 -0.14 0.58 -0.91 0.00 0.00 0.00 179.25 178.75 3hni h ASN 80 N 0.24 0.32 0.32 0.00 -0.26 0.00 0.01 115.58 116.21 3hni h ASN 80 Ca 0.08 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hni h ASN 80 Cb 0.13 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3hni h ASN 80 CO -0.01 0.13 -0.02 -0.62 -1.06 0.00 0.00 177.43 175.85 3hni n GLU 81 N -4.46 0.70 -0.84 0.81 1.02 -0.24 -4.88 120.64 112.75 3hni n GLU 81 Ca 0.18 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3hni n GLU 81 Cb 0.71 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.19 0.53 3.19 0.62 0.00 -0.01 -4.98 105.19 105.73 3hni n GLY 82 Ca 0.18 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 3.57 0.05 1.61 5.02 -0.31 -4.83 118.16 120.42 3hni n LYS 83 Ca 0.00 -3.84 -0.13 0.00 -2.02 0.00 0.00 58.31 52.32 3hni n LYS 83 Cb 0.00 -2.91 -0.09 0.00 -0.02 0.00 0.00 35.03 32.01 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 4.12 1.10 -0.71 -0.18 2.07 -1.88 -0.25 116.25 120.52 3hni h VAL 84 Ca 0.33 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3hni h VAL 84 Cb 0.76 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3hni h VAL 84 CO 1.37 0.16 0.41 0.11 0.02 0.00 0.00 177.57 179.64 3hni h LYS 85 N -0.39 0.98 -0.03 1.57 1.79 -1.97 0.17 116.57 118.69 3hni h LYS 85 Ca -0.01 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.22 3hni h LYS 85 Cb 0.34 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3hni h LYS 85 CO 0.02 0.72 -0.59 1.05 -1.08 0.00 0.00 179.45 179.56 3hni h GLU 86 N 0.97 0.09 -0.35 3.15 9.09 -1.95 -0.35 114.58 125.23 3hni h GLU 86 Ca 0.25 -0.06 -0.13 0.00 0.05 0.00 0.00 59.36 59.48 3hni h GLU 86 Cb 0.01 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3hni h GLU 86 CO -0.04 0.65 -0.28 0.00 0.05 0.00 0.00 179.01 179.39 3hni h ALA 87 N 1.33 0.51 -0.35 1.06 0.00 -0.30 -0.93 119.26 120.58 3hni h ALA 87 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hni h ALA 87 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hni h ALA 87 CO 0.08 0.53 0.10 1.96 0.00 0.00 0.00 179.25 181.92 3hni h GLN 88 N 0.60 0.50 -0.24 0.00 4.20 -0.41 -1.09 115.11 118.67 3hni h GLN 88 Ca 0.06 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 3hni h GLN 88 Cb 0.85 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3hni h GLN 88 CO 0.07 0.45 -0.51 0.00 -0.67 0.00 0.00 178.83 178.18 3hni h ALA 89 N 1.62 0.39 -0.73 3.87 0.00 -0.95 -1.16 119.26 122.29 3hni h ALA 89 Ca 0.12 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3hni h ALA 89 Cb 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3hni h ALA 89 CO -0.01 0.57 0.48 0.00 0.00 0.00 0.00 179.25 180.29 3hni h ALA 90 N 0.63 1.57 -0.59 0.00 0.00 -0.88 -0.85 119.26 119.14 3hni h ALA 90 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 90 Cb 1.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hni h ALA 90 CO 0.11 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 3hni h ALA 91 N 1.57 0.85 -0.71 0.00 0.00 -0.95 -1.83 119.26 118.19 3hni h ALA 91 Ca 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 91 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hni h ALA 91 CO -0.08 0.67 0.33 0.93 0.00 0.00 0.00 179.25 181.10 3hni h GLU 92 N 0.96 1.04 -0.64 0.00 4.39 -0.52 -3.10 114.58 116.70 3hni h GLU 92 Ca 0.17 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3hni h GLU 92 Cb 0.57 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3hni h GLU 92 CO 0.03 0.82 0.16 1.96 -1.16 0.00 0.00 179.01 180.82 3hni h GLN 93 N 1.00 1.00 0.00 2.33 4.20 -0.99 -2.73 115.11 119.92 3hni h GLN 93 Ca 0.24 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hni h GLN 93 Cb 0.14 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hni h GLN 93 CO -0.03 0.89 0.00 1.37 -0.67 0.00 0.00 178.83 180.39 3hni h LEU 94 N 0.96 0.00 -1.62 1.46 8.10 -1.25 -2.68 115.31 120.28 3hni h LEU 94 Ca 0.20 0.00 0.24 0.00 0.11 0.00 0.00 57.88 58.43 3hni h LEU 94 Cb 0.34 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.49 3hni h LEU 94 CO 0.00 0.00 0.64 0.11 -4.11 0.00 0.00 178.44 175.08 3hni h LYS 95 N 0.00 0.28 -0.94 0.17 1.57 -1.52 0.86 116.57 116.98 3hni h LYS 95 Ca 0.00 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3hni h LYS 95 Cb 0.36 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 3hni h LYS 95 CO 0.00 0.18 0.60 1.15 -0.57 0.00 0.00 179.45 180.82 3hni h THR 96 N 0.29 0.95 -0.24 -0.16 2.02 -1.68 0.68 112.91 114.77 3hni h THR 96 Ca 0.49 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3hni h THR 96 Cb 1.43 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3hni h THR 96 CO -0.15 0.17 -0.14 0.74 0.37 0.00 0.00 175.52 176.51 3hni h THR 97 N 0.93 1.31 -0.21 3.16 2.02 -1.04 -0.73 112.91 118.35 3hni h THR 97 Ca 0.45 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.44 3hni h THR 97 Cb 0.45 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 3hni h THR 97 CO -0.21 0.38 -0.06 0.00 0.37 0.00 0.00 175.52 176.00 3hni h ASN 99 N -0.01 0.83 -0.83 0.00 -0.26 -0.86 -2.03 115.58 112.42 3hni h ASN 99 Ca 0.10 -0.36 0.03 0.00 -0.56 0.00 0.00 56.30 55.52 3hni h ASN 99 Cb 0.17 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.15 3hni h ASN 99 CO -0.23 1.00 0.53 0.00 -1.06 0.00 0.00 177.43 177.68 3hni h ALA 100 N 0.86 1.10 -0.27 -0.83 0.00 -1.08 0.87 119.26 119.90 3hni h ALA 100 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hni h ALA 100 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hni h ALA 100 CO 0.04 0.36 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 3hni h HIS 102 N 0.34 0.81 -0.96 0.00 -0.00 -0.98 0.12 115.15 114.48 3hni h HIS 102 Ca 0.05 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.56 3hni h HIS 102 Cb 0.72 -0.27 -0.08 0.00 -0.00 0.00 0.00 27.41 27.78 3hni h HIS 102 CO 0.07 0.56 0.61 0.37 -0.00 0.00 0.00 177.93 179.53 3hni h GLN 103 N 0.83 0.82 0.15 2.45 4.15 -0.80 -1.75 115.11 120.96 3hni h GLN 103 Ca 0.22 -0.05 -0.35 0.00 0.77 0.00 0.00 58.65 59.24 3hni h GLN 103 Cb -0.01 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3hni h GLN 103 CO -0.04 0.54 -1.84 0.87 -1.93 0.00 0.00 178.83 176.43 3hni h LYS 104 N 0.84 0.32 0.00 1.69 1.57 -1.30 -3.44 116.57 116.25 3hni h LYS 104 Ca 0.48 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hni h LYS 104 Cb 0.63 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3hni h LYS 104 CO -0.25 1.26 -0.09 0.66 -0.57 0.00 0.00 179.45 180.46 3hni n TYR 105 N -3.58 0.00 1.36 -1.35 0.53 0.37 -5.12 117.16 109.36 3hni n TYR 105 Ca -0.28 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.73 3hni n TYR 105 Cb 1.04 0.00 0.40 0.00 -1.03 0.00 0.00 39.34 39.75 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71