#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 3.00 0.17 0.00 -1.08 -1.26 -4.86 116.67 112.64 3hni s ASP 2 Ca 0.00 1.06 -0.14 0.00 -0.52 0.00 0.00 52.55 52.95 3hni s ASP 2 Cb 0.00 -1.68 0.06 0.00 -1.46 0.00 0.00 42.92 39.84 3hni s ASP 2 CO 0.00 -2.88 1.78 0.25 0.52 0.00 0.00 175.17 174.84 3hni h LEU 3 N -1.72 0.66 -0.75 -1.34 6.46 -1.94 -2.14 115.31 114.54 3hni h LEU 3 Ca -0.53 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 3hni h LEU 3 Cb 1.33 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 3hni h LEU 3 CO 0.60 0.56 0.40 -0.33 -0.62 0.00 0.00 178.44 179.04 3hni h GLU 4 N 0.71 1.05 -0.24 1.25 5.08 -1.98 0.11 114.58 120.56 3hni h GLU 4 Ca 0.19 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hni h GLU 4 Cb 0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3hni h GLU 4 CO -0.03 0.79 0.10 -0.44 -1.00 0.00 0.00 179.01 178.43 3hni h ASP 5 N 1.03 0.32 -0.73 1.42 3.32 -1.90 -0.02 116.42 119.86 3hni h ASP 5 Ca 0.26 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3hni h ASP 5 Cb 0.06 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3hni h ASP 5 CO -0.04 0.38 0.48 0.78 -1.72 0.00 0.00 179.24 179.12 3hni h ASN 6 N 0.24 0.84 -0.30 6.45 2.35 -1.14 -0.46 115.58 123.56 3hni h ASN 6 Ca 0.08 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3hni h ASN 6 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hni h ASN 6 CO -0.01 0.61 -0.37 0.24 -1.65 0.00 0.00 177.43 176.26 3hni h MET 7 N 0.99 0.85 -0.42 0.81 2.86 -0.34 -1.17 114.93 118.51 3hni h MET 7 Ca 0.27 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.33 3hni h MET 7 Cb -0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3hni h MET 7 CO -0.06 1.07 -0.32 1.49 1.06 0.00 0.00 176.91 180.15 3hni h GLU 8 N 0.70 0.94 -0.37 1.72 4.57 -0.68 -0.21 114.58 121.26 3hni h GLU 8 Ca 0.06 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 57.83 3hni h GLU 8 Cb 0.93 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 3hni h GLU 8 CO 0.09 1.12 0.11 1.15 -1.18 0.00 0.00 179.01 180.30 3hni h THR 9 N 0.79 0.87 -0.17 0.32 2.02 -0.97 0.30 112.91 116.07 3hni h THR 9 Ca 0.08 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3hni h THR 9 Cb 0.90 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3hni h THR 9 CO 0.08 0.05 -0.07 -0.07 0.37 0.00 0.00 175.52 175.88 3hni h LEU 10 N 0.26 -0.24 0.11 2.58 4.07 -1.11 -2.14 115.31 118.83 3hni h LEU 10 Ca 0.17 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3hni h LEU 10 Cb 0.16 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3hni h LEU 10 CO -0.19 -0.10 -0.05 -1.13 -1.08 0.00 0.00 178.44 175.89 3hni h ASN 11 N -0.05 -0.13 -0.46 -0.43 -1.24 -0.47 -2.32 115.58 110.48 3hni h ASN 11 Ca 0.09 -0.13 0.08 0.00 0.71 0.00 0.00 56.30 57.05 3hni h ASN 11 Cb 0.18 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.20 3hni h ASN 11 CO -0.20 0.05 0.05 0.44 -1.29 0.00 0.00 177.43 176.49 3hni h ASP 12 N -0.31 -0.08 1.70 1.15 3.32 -0.44 -2.88 116.42 118.89 3hni h ASP 12 Ca -0.02 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hni h ASP 12 Cb 0.25 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hni h ASP 12 CO 0.03 -0.01 -0.14 0.78 -1.72 0.00 0.00 179.24 178.18 3hni h ASN 13 N 0.18 0.00 -0.60 6.45 4.21 -1.34 -2.49 115.58 121.99 3hni h ASN 13 Ca 0.23 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.64 3hni h ASN 13 Cb 0.31 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.49 3hni h ASN 13 CO -0.33 0.14 -0.01 0.25 -1.29 0.00 0.00 177.43 176.19 3hni h LEU 14 N 0.00 1.04 -0.69 1.61 5.85 -1.21 -1.83 115.31 120.09 3hni h LEU 14 Ca -0.00 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.27 3hni h LEU 14 Cb 1.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hni h LEU 14 CO 0.02 1.10 -0.46 0.11 -0.34 0.00 0.00 178.44 178.86 3hni h LYS 15 N 0.96 0.46 -0.83 1.25 1.57 -1.37 -2.38 116.57 116.23 3hni h LYS 15 Ca 0.17 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hni h LYS 15 Cb 0.57 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 3hni h LYS 15 CO 0.03 0.83 0.53 0.28 -0.57 0.00 0.00 179.45 180.55 3hni h VAL 16 N 0.37 1.14 -0.56 0.50 2.07 -1.29 -2.22 116.25 116.26 3hni h VAL 16 Ca 0.02 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3hni h VAL 16 Cb 0.96 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3hni h VAL 16 CO 0.08 0.19 0.14 0.40 0.02 0.00 0.00 177.57 178.41 3hni h ILE 17 N 1.04 1.24 -0.72 4.57 2.04 -1.05 -1.87 117.51 122.76 3hni h ILE 17 Ca 0.33 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3hni h ILE 17 Cb -0.00 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3hni h ILE 17 CO -0.11 0.32 0.41 -0.33 0.00 0.00 0.00 178.15 178.44 3hni h GLU 18 N 0.79 0.99 -0.00 2.37 5.08 -1.11 -2.97 114.58 119.73 3hni h GLU 18 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hni h GLU 18 Cb 0.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hni h GLU 18 CO 0.00 0.72 -0.26 1.63 -1.00 0.00 0.00 179.01 180.10 3hni n LYS 19 N -4.50 0.54 -2.14 2.33 5.02 -0.86 -4.96 118.16 113.59 3hni n LYS 19 Ca 0.06 -0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 55.72 3hni n LYS 19 Cb 0.07 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.65 2.66 -0.35 7.82 0.00 -0.71 -4.97 121.76 123.55 3hni s ALA 20 Ca 0.21 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.19 3hni s ALA 20 Cb 0.19 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3hni s ALA 20 CO 0.55 -0.95 0.33 -3.47 0.00 0.00 0.00 175.76 172.22 3hni n ASP 21 N -1.35 0.59 -3.84 0.00 -0.08 -1.26 -5.05 116.55 105.56 3hni n ASP 21 Ca 0.12 -0.64 -0.09 0.00 -1.51 0.00 0.00 54.79 52.67 3hni n ASP 21 Cb 0.50 1.03 -0.07 0.00 2.34 0.00 0.00 41.12 44.92 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hni s ASN 22 N -1.84 0.05 0.16 1.67 2.20 -1.26 -5.07 114.94 110.84 3hni s ASN 22 Ca 0.03 -0.64 -0.14 0.00 -0.94 0.00 0.00 52.86 51.17 3hni s ASN 22 Cb 0.06 0.38 0.05 0.00 -2.00 0.00 0.00 41.25 39.74 3hni s ASN 22 CO 0.33 -0.78 1.77 0.00 -2.94 0.00 0.00 177.10 175.47 3hni h ALA 23 N 2.64 0.66 -0.77 3.54 0.00 -1.94 -3.12 119.26 120.28 3hni h ALA 23 Ca -0.33 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.57 3hni h ALA 23 Cb 1.21 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3hni h ALA 23 CO 0.53 0.19 0.42 0.00 0.00 0.00 0.00 179.25 180.38 3hni h ALA 24 N 1.11 1.07 -0.46 0.00 0.00 -1.98 0.38 119.26 119.39 3hni h ALA 24 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hni h ALA 24 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hni h ALA 24 CO -0.03 0.03 0.28 1.96 0.00 0.00 0.00 179.25 181.50 3hni h GLN 25 N 0.70 0.62 0.03 0.00 4.20 -1.97 -0.32 115.11 118.37 3hni h GLN 25 Ca 0.37 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 3hni h GLN 25 Cb 0.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3hni h GLN 25 CO -0.25 0.45 -0.01 0.28 -0.67 0.00 0.00 178.83 178.63 3hni h VAL 26 N 0.62 1.24 -0.49 -0.54 2.07 -1.30 -2.06 116.25 115.79 3hni h VAL 26 Ca 0.17 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.92 3hni h VAL 26 Cb -0.01 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 3hni h VAL 26 CO -0.03 0.21 -0.48 0.11 0.02 0.00 0.00 177.57 177.40 3hni h LYS 27 N -0.40 -0.29 -0.48 1.57 1.57 -0.21 -0.14 116.57 118.19 3hni h LYS 27 Ca -0.00 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3hni h LYS 27 Cb 0.38 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3hni h LYS 27 CO 0.01 -0.20 0.20 0.22 -0.57 0.00 0.00 179.45 179.11 3hni h ASP 28 N -0.30 0.24 -0.51 0.86 1.82 -1.03 -1.22 116.42 116.26 3hni h ASP 28 Ca 0.13 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.73 3hni h ASP 28 Cb 0.58 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 3hni h ASP 28 CO -0.63 0.17 -0.01 0.00 -1.61 0.00 0.00 179.24 177.15 3hni h ALA 29 N 1.30 0.93 -0.39 -0.78 0.00 -0.82 -2.28 119.26 117.22 3hni h ALA 29 Ca 0.22 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3hni h ALA 29 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hni h ALA 29 CO -0.20 0.64 -0.28 -0.07 0.00 0.00 0.00 179.25 179.33 3hni h LEU 30 N 0.88 0.93 -0.35 0.00 3.38 -0.70 -1.55 115.31 117.89 3hni h LEU 30 Ca 0.16 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3hni h LEU 30 Cb 0.53 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3hni h LEU 30 CO 0.03 1.17 -0.01 0.74 0.09 0.00 0.00 178.44 180.45 3hni h THR 31 N 0.69 0.73 -0.89 0.22 2.02 -1.10 0.18 112.91 114.76 3hni h THR 31 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 3hni h THR 31 Cb 0.86 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3hni h THR 31 CO 0.08 0.02 0.47 0.11 0.37 0.00 0.00 175.52 176.56 3hni h LYS 32 N 0.08 1.25 -0.77 6.66 1.57 -1.23 -2.37 116.57 121.77 3hni h LYS 32 Ca 0.17 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hni h LYS 32 Cb 0.24 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3hni h LYS 32 CO -0.30 0.93 0.31 0.52 -0.57 0.00 0.00 179.45 180.34 3hni h MET 33 N 1.25 1.14 -0.71 3.15 2.86 -0.73 -1.22 114.93 120.68 3hni h MET 33 Ca 0.31 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3hni h MET 33 Cb 0.05 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3hni h MET 33 CO -0.05 0.93 0.47 0.00 1.06 0.00 0.00 176.91 179.32 3hni h ALA 34 N 1.16 0.90 -0.55 6.32 0.00 -0.63 0.43 119.26 126.89 3hni h ALA 34 Ca 0.26 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3hni h ALA 34 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hni h ALA 34 CO -0.02 0.32 -0.11 0.00 0.00 0.00 0.00 179.25 179.44 3hni h ALA 35 N 1.26 0.75 -0.53 0.00 0.00 -1.25 -1.48 119.26 118.02 3hni h ALA 35 Ca 0.26 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hni h ALA 35 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hni h ALA 35 CO -0.06 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.05 3hni h ALA 36 N 0.93 0.69 -0.26 0.00 0.00 -0.88 -1.81 119.26 117.93 3hni h ALA 36 Ca 0.14 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3hni h ALA 36 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hni h ALA 36 CO 0.05 0.32 -0.20 0.00 0.00 0.00 0.00 179.25 179.41 3hni h ALA 37 N 1.04 0.37 -0.80 0.00 0.00 -0.81 -0.68 119.26 118.39 3hni h ALA 37 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hni h ALA 37 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hni h ALA 37 CO -0.01 0.31 0.43 0.00 0.00 0.00 0.00 179.25 179.99 3hni h ALA 38 N 0.70 1.25 0.00 0.00 0.00 -1.30 -2.34 119.26 117.56 3hni h ALA 38 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hni h ALA 38 Cb 0.75 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hni h ALA 38 CO 0.05 0.60 -0.44 0.22 0.00 0.00 0.00 179.25 179.69 3hni h ASP 39 N 1.12 0.00 0.68 0.00 3.58 -1.15 -2.89 116.42 117.76 3hni h ASP 39 Ca 0.28 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 3hni h ASP 39 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3hni h ASP 39 CO -0.04 0.44 -0.16 0.00 -2.88 0.00 0.00 179.24 176.60 3hni h ALA 40 N 1.56 1.12 -1.04 -0.78 0.00 -0.58 -3.33 119.26 116.20 3hni h ALA 40 Ca -0.00 -0.14 0.31 0.00 0.00 0.00 0.00 54.91 55.08 3hni h ALA 40 Cb 1.05 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 3hni h ALA 40 CO 0.06 0.20 0.62 2.35 0.00 0.00 0.00 179.25 182.48 3hni h TRP 41 N 0.00 0.86 -0.00 0.00 7.01 -1.29 -0.58 115.95 121.95 3hni h TRP 41 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3hni h TRP 41 Cb 0.54 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 3hni h TRP 41 CO 0.00 -0.10 -0.15 -1.13 -2.79 0.00 0.00 178.44 174.27 3hni n SER 42 N -4.92 0.48 -4.79 2.65 3.41 -1.25 -4.92 113.62 104.28 3hni n SER 42 Ca 0.31 -0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 58.10 3hni n SER 42 Cb 0.98 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.81 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 -2.58 3.05 -0.27 7.33 0.00 -0.23 -5.04 121.76 124.02 3hni s ALA 43 Ca 0.25 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3hni s ALA 43 Cb 0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3hni s ALA 43 CO 0.51 -0.10 0.08 0.99 0.00 0.00 0.00 175.76 177.23 3hni s THR 44 N -1.82 4.15 0.54 0.00 2.01 -1.26 -5.03 115.64 114.24 3hni s THR 44 Ca 0.59 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.00 3hni s THR 44 Cb -0.18 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 3hni s THR 44 CO 0.23 0.22 1.06 -2.16 -0.69 0.00 0.00 174.62 173.27 3hni s PRO 45 N 1.56 3.52 0.46 4.92 0.04 -1.26 -4.90 135.00 139.34 3hni s PRO 45 Ca 0.05 1.31 0.13 0.00 0.04 0.00 0.00 61.00 62.53 3hni s PRO 45 Cb -0.16 -2.06 1.07 0.00 0.04 0.00 0.00 34.50 33.39 3hni s PRO 45 CO 0.03 -0.66 2.05 -1.35 0.04 0.00 0.00 177.00 177.11 3hni h PRO 46 N 0.97 0.31 0.00 0.56 0.11 -1.99 -0.13 132.00 131.82 3hni h PRO 46 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hni h PRO 46 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hni h PRO 46 CO 0.58 0.20 0.00 1.63 -0.21 0.00 0.00 178.00 180.20 3hni n LYS 47 N -4.48 0.07 -0.06 1.05 4.76 -1.26 -2.96 118.16 115.28 3hni n LYS 47 Ca 0.04 0.12 0.04 0.00 -2.87 0.00 0.00 58.31 55.65 3hni n LYS 47 Cb 0.22 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.99 3hni n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hni n LEU 48 N -1.45 2.31 0.15 -0.35 4.77 -0.08 -4.72 117.00 117.62 3hni n LEU 48 Ca 0.06 -2.45 0.04 0.00 -0.03 0.00 0.00 56.01 53.63 3hni n LEU 48 Cb 0.23 -0.20 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 3hni n LEU 48 CO 0.19 0.60 0.94 -0.33 -1.33 0.00 0.00 177.39 177.46 3hni h GLU 49 N 0.26 0.19 0.00 3.23 5.08 -1.39 -2.37 114.58 119.59 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 0.75 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3hni h GLU 49 CO 0.01 0.29 0.00 -0.25 -1.00 0.00 0.00 179.01 178.06 3hni n ASP 50 N -4.33 0.00 -4.86 1.42 9.92 -1.26 -4.83 116.55 112.61 3hni n ASP 50 Ca -0.01 0.09 -0.34 0.00 -0.53 0.00 0.00 54.79 54.00 3hni n ASP 50 Cb 0.22 -0.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.28 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 -2.73 3.88 0.30 -1.24 -0.14 -0.89 -5.06 119.74 113.86 3hni s LYS 51 Ca 0.23 0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.91 3hni s LYS 51 Cb 0.20 -2.90 -0.13 0.00 -1.68 0.00 0.00 37.83 33.32 3hni s LYS 51 CO 0.48 0.47 1.33 0.43 -0.76 0.00 0.00 175.35 177.30 3hni n SER 52 N 0.66 2.72 0.10 2.83 7.64 -1.26 -4.88 113.62 121.44 3hni n SER 52 Ca -0.05 1.18 0.20 0.00 1.01 0.00 0.00 58.87 61.21 3hni n SER 52 Cb 0.52 -1.46 0.75 0.00 -1.01 0.00 0.00 64.21 63.02 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 3.16 0.00 -0.73 1.43 0.11 -1.95 -0.76 132.00 133.26 3hni h PRO 53 Ca -0.45 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 3hni h PRO 53 Cb 1.28 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 3hni h PRO 53 CO 0.67 0.00 -0.69 -3.47 -0.21 0.00 0.00 178.00 174.31 3hni n ASP 54 N -3.74 4.93 -4.84 -2.05 4.64 -1.26 -4.82 116.55 109.41 3hni n ASP 54 Ca 0.07 -3.76 -0.30 0.00 -1.38 0.00 0.00 54.79 49.41 3hni n ASP 54 Cb 0.58 -0.39 0.06 0.00 -1.04 0.00 0.00 41.12 40.33 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 -3.46 5.15 0.22 1.67 1.04 -0.29 -4.91 113.70 113.12 3hni s SER 55 Ca 0.51 1.31 -0.08 0.00 0.48 0.00 0.00 55.95 58.17 3hni s SER 55 Cb 0.41 -2.12 0.31 0.00 0.10 0.00 0.00 66.02 64.72 3hni s SER 55 CO 0.03 -1.55 1.76 1.55 0.98 0.00 0.00 173.24 176.01 3hni h PRO 56 N -0.80 0.47 -0.62 4.02 0.13 -1.97 -1.05 132.00 132.19 3hni h PRO 56 Ca -0.45 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hni h PRO 56 Cb 1.24 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3hni h PRO 56 CO 0.61 0.31 0.38 0.93 -0.23 0.00 0.00 178.00 180.00 3hni h GLU 57 N 0.48 0.83 -0.30 0.86 3.07 -1.94 -1.09 114.58 116.50 3hni h GLU 57 Ca 0.33 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 3hni h GLU 57 Cb 0.39 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3hni h GLU 57 CO -0.30 0.59 -0.23 0.52 -1.40 0.00 0.00 179.01 178.18 3hni h MET 58 N 0.83 0.57 -0.40 2.33 2.86 -1.76 0.74 114.93 120.11 3hni h MET 58 Ca 0.22 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hni h MET 58 Cb -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3hni h MET 58 CO -0.04 0.76 0.26 0.45 1.06 0.00 0.00 176.91 179.40 3hni h HIS 59 N 0.50 0.50 -0.38 -0.22 3.86 -0.94 -1.39 115.15 117.08 3hni h HIS 59 Ca 0.07 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 3hni h HIS 59 Cb 0.68 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3hni h HIS 59 CO 0.03 0.31 -0.23 0.22 0.86 0.00 0.00 177.93 179.12 3hni h ASP 60 N 0.54 0.77 0.28 2.45 3.58 -0.83 -1.29 116.42 121.91 3hni h ASP 60 Ca 0.15 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.32 3hni h ASP 60 Cb -0.06 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 3hni h ASP 60 CO -0.04 0.98 -0.28 0.15 -2.88 0.00 0.00 179.24 177.17 3hni h PHE 61 N 0.66 -0.76 0.00 0.28 3.57 -0.66 -2.78 116.94 117.25 3hni h PHE 61 Ca 0.09 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3hni h PHE 61 Cb 0.74 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3hni h PHE 61 CO 0.04 -0.41 -0.21 0.00 -2.23 0.00 0.00 178.31 175.50 3hni h ARG 62 N -0.59 0.00 -0.71 1.11 3.08 -1.17 -2.59 114.38 113.50 3hni h ARG 62 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hni h ARG 62 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3hni h ARG 62 CO -0.06 0.21 0.40 1.25 -1.07 0.00 0.00 179.97 180.70 3hni h HIS 63 N 0.00 0.95 -0.77 3.04 2.76 -0.96 -2.02 115.15 118.15 3hni h HIS 63 Ca -0.00 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3hni h HIS 63 Cb 0.43 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 3hni h HIS 63 CO 0.00 0.65 0.51 0.78 -1.30 0.00 0.00 177.93 178.57 3hni h GLY 64 N 1.03 1.08 1.26 5.26 0.00 -1.33 -1.44 103.07 108.93 3hni h GLY 64 Ca 0.25 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3hni h GLY 64 CO -0.04 0.34 -0.04 0.74 0.00 0.00 0.00 176.54 177.54 3hni h PHE 65 N 0.96 0.96 -0.29 5.60 -1.00 -1.45 -1.17 116.94 120.55 3hni h PHE 65 Ca 0.30 -0.16 0.04 0.00 2.81 0.00 0.00 57.97 60.96 3hni h PHE 65 Cb 0.02 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 3hni h PHE 65 CO -0.00 0.89 0.07 -1.49 -1.61 0.00 0.00 178.31 176.17 3hni h TRP 66 N 0.81 0.12 -0.44 -0.55 6.55 -0.78 0.22 115.95 121.87 3hni h TRP 66 Ca 0.15 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.01 3hni h TRP 66 Cb 0.54 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.81 3hni h TRP 66 CO 0.03 0.03 0.29 0.82 -1.05 0.00 0.00 178.44 178.56 3hni h ILE 67 N 0.18 1.12 -0.38 1.49 1.08 -1.01 0.09 117.51 120.07 3hni h ILE 67 Ca 0.13 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3hni h ILE 67 Cb 0.13 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3hni h ILE 67 CO -0.17 0.11 0.03 0.25 -0.69 0.00 0.00 178.15 177.68 3hni h LEU 68 N 0.59 0.64 -0.49 1.44 5.85 -0.99 -1.39 115.31 120.96 3hni h LEU 68 Ca 0.16 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3hni h LEU 68 Cb -0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3hni h LEU 68 CO -0.03 0.77 0.25 0.40 -0.34 0.00 0.00 178.44 179.49 3hni h ILE 69 N 0.49 0.97 -0.78 4.05 2.04 -0.28 -0.68 117.51 123.33 3hni h ILE 69 Ca 0.11 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.87 3hni h ILE 69 Cb 0.43 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3hni h ILE 69 CO 0.01 0.09 0.46 1.23 0.00 0.00 0.00 178.15 179.95 3hni h GLY 70 N 0.50 1.17 0.96 5.37 0.00 -0.74 -1.06 103.07 109.28 3hni h GLY 70 Ca 0.21 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3hni h GLY 70 CO -0.14 0.20 -0.26 1.46 0.00 0.00 0.00 176.54 177.80 3hni h GLN 71 N 0.83 0.68 -0.61 4.80 4.20 -0.77 -2.05 115.11 122.20 3hni h GLN 71 Ca 0.35 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3hni h GLN 71 Cb 0.21 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3hni h GLN 71 CO -0.19 0.96 0.40 0.82 -0.67 0.00 0.00 178.83 180.15 3hni h ILE 72 N 0.43 1.15 -0.43 2.54 2.04 -1.03 -0.95 117.51 121.26 3hni h ILE 72 Ca 0.05 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3hni h ILE 72 Cb 0.82 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3hni h ILE 72 CO 0.07 0.15 -0.01 -0.74 0.00 0.00 0.00 178.15 177.61 3hni h HIS 73 N 0.81 -0.04 -0.25 1.37 2.76 -0.93 0.96 115.15 119.83 3hni h HIS 73 Ca 0.22 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.23 3hni h HIS 73 Cb -0.09 0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3hni h HIS 73 CO -0.03 -0.10 -0.61 0.22 -1.30 0.00 0.00 177.93 176.11 3hni h ASP 74 N 0.10 0.94 -0.70 3.26 1.82 -1.14 -2.76 116.42 117.94 3hni h ASP 74 Ca 0.21 -0.53 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 3hni h ASP 74 Cb 0.31 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 3hni h ASP 74 CO -0.36 1.33 0.40 0.00 -1.61 0.00 0.00 179.24 179.00 3hni h ALA 75 N 0.68 1.36 -0.41 -0.78 0.00 -0.77 -2.02 119.26 117.32 3hni h ALA 75 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hni h ALA 75 Cb 1.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hni h ALA 75 CO 0.13 0.53 0.21 1.25 0.00 0.00 0.00 179.25 181.37 3hni h LEU 76 N 0.99 0.52 -0.47 0.00 6.46 -0.68 -1.21 115.31 120.93 3hni h LEU 76 Ca 0.25 -0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3hni h LEU 76 Cb 0.01 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.74 3hni h LEU 76 CO -0.04 0.48 0.11 0.45 -0.62 0.00 0.00 178.44 178.82 3hni h HIS 77 N 0.52 0.19 -0.34 1.25 3.86 -1.15 0.10 115.15 119.59 3hni h HIS 77 Ca 0.14 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.43 3hni h HIS 77 Cb 0.09 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3hni h HIS 77 CO -0.02 0.03 0.08 -0.07 0.86 0.00 0.00 177.93 178.81 3hni h LEU 78 N 0.26 0.04 -0.75 2.43 3.38 -0.89 -0.15 115.31 119.63 3hni h LEU 78 Ca 0.23 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 3hni h LEU 78 Cb 0.28 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hni h LEU 78 CO -0.28 0.06 0.27 0.00 0.09 0.00 0.00 178.44 178.57 3hni h ALA 79 N 1.24 0.98 -0.16 1.53 0.00 -0.87 -1.18 119.26 120.80 3hni h ALA 79 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hni h ALA 79 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hni h ALA 79 CO -0.20 0.64 0.11 -0.91 0.00 0.00 0.00 179.25 178.90 3hni h ASN 80 N 1.11 0.07 0.50 0.00 -0.26 0.05 -0.73 115.58 116.31 3hni h ASN 80 Ca 0.25 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3hni h ASN 80 Cb 0.26 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 3hni h ASN 80 CO -0.01 0.05 -0.03 -0.62 -1.06 0.00 0.00 177.43 175.76 3hni n GLU 81 N -4.50 0.51 -0.71 0.81 1.02 -0.15 -4.88 120.64 112.73 3hni n GLU 81 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hni n GLU 81 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.27 0.60 3.15 0.62 0.00 -0.28 -4.98 105.19 105.57 3hni n GLY 82 Ca 0.15 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.71 3.63 0.12 1.61 5.02 -0.54 -4.84 118.16 120.45 3hni n LYS 83 Ca 0.00 -3.87 -0.13 0.00 -2.02 0.00 0.00 58.31 52.28 3hni n LYS 83 Cb 0.00 -2.88 -0.08 0.00 -0.02 0.00 0.00 35.03 32.05 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 4.02 0.84 -0.66 -0.18 2.07 -1.88 -0.57 116.25 119.90 3hni h VAL 84 Ca 0.32 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3hni h VAL 84 Cb 0.74 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3hni h VAL 84 CO 1.39 0.12 0.32 0.11 0.02 0.00 0.00 177.57 179.52 3hni h LYS 85 N -0.59 0.55 -0.01 1.57 1.79 -1.98 0.16 116.57 118.07 3hni h LYS 85 Ca -0.03 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 3hni h LYS 85 Cb 0.43 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 3hni h LYS 85 CO 0.05 0.36 -0.76 1.05 -1.08 0.00 0.00 179.45 179.08 3hni h GLU 86 N 0.57 0.10 -0.55 3.15 9.09 -1.94 -0.46 114.58 124.55 3hni h GLU 86 Ca 0.32 -0.09 -0.11 0.00 0.05 0.00 0.00 59.36 59.52 3hni h GLU 86 Cb 0.31 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 3hni h GLU 86 CO -0.25 0.81 -0.09 0.00 0.05 0.00 0.00 179.01 179.53 3hni h ALA 87 N 1.16 0.80 -0.53 1.06 0.00 -0.47 -0.96 119.26 120.31 3hni h ALA 87 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3hni h ALA 87 Cb 1.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hni h ALA 87 CO 0.11 0.67 0.20 1.96 0.00 0.00 0.00 179.25 182.18 3hni h GLN 88 N 0.91 0.78 -0.24 0.00 4.20 -0.22 -0.83 115.11 119.71 3hni h GLN 88 Ca 0.14 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3hni h GLN 88 Cb 0.65 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3hni h GLN 88 CO 0.05 0.65 -0.35 0.00 -0.67 0.00 0.00 178.83 178.50 3hni h ALA 89 N 1.45 0.36 -0.84 3.87 0.00 -0.95 -1.29 119.26 121.87 3hni h ALA 89 Ca 0.18 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3hni h ALA 89 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3hni h ALA 89 CO -0.01 0.43 0.55 0.00 0.00 0.00 0.00 179.25 180.21 3hni h ALA 90 N 0.65 1.57 -0.50 0.00 0.00 -0.86 0.13 119.26 120.25 3hni h ALA 90 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hni h ALA 90 Cb 0.94 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hni h ALA 90 CO 0.08 0.31 0.25 0.00 0.00 0.00 0.00 179.25 179.89 3hni h ALA 91 N 1.54 0.64 -0.65 0.00 0.00 -0.94 -1.60 119.26 118.25 3hni h ALA 91 Ca 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hni h ALA 91 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hni h ALA 91 CO -0.12 0.20 0.33 0.93 0.00 0.00 0.00 179.25 180.58 3hni h GLU 92 N 0.66 0.92 -0.51 0.00 4.39 -0.35 -2.97 114.58 116.72 3hni h GLU 92 Ca 0.17 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3hni h GLU 92 Cb 0.11 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3hni h GLU 92 CO -0.02 0.72 0.13 1.96 -1.16 0.00 0.00 179.01 180.63 3hni h GLN 93 N 0.89 0.78 0.00 2.33 4.20 -0.80 -2.75 115.11 119.76 3hni h GLN 93 Ca 0.22 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hni h GLN 93 Cb 0.08 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3hni h GLN 93 CO -0.03 0.70 0.00 1.37 -0.67 0.00 0.00 178.83 180.20 3hni h LEU 94 N 0.75 0.00 -1.90 1.46 8.10 -1.13 -2.61 115.31 119.98 3hni h LEU 94 Ca 0.17 0.00 0.20 0.00 0.11 0.00 0.00 57.88 58.36 3hni h LEU 94 Cb 0.27 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.46 3hni h LEU 94 CO -0.00 0.00 0.53 0.11 -4.11 0.00 0.00 178.44 174.97 3hni h LYS 95 N 0.00 0.08 -0.59 0.17 1.57 -1.53 0.27 116.57 116.55 3hni h LYS 95 Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hni h LYS 95 Cb 0.35 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3hni h LYS 95 CO 0.00 0.06 0.39 1.15 -0.57 0.00 0.00 179.45 180.47 3hni h THR 96 N 0.09 1.11 -0.17 -0.16 2.02 -1.67 0.67 112.91 114.80 3hni h THR 96 Ca 0.36 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 3hni h THR 96 Cb 1.32 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3hni h THR 96 CO -0.04 0.13 -0.37 0.74 0.37 0.00 0.00 175.52 176.36 3hni h THR 97 N 0.73 1.35 -0.19 3.16 2.02 -0.67 -1.09 112.91 118.22 3hni h THR 97 Ca 0.23 -1.62 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3hni h THR 97 Cb 0.01 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3hni h THR 97 CO -0.06 0.49 -0.24 0.00 0.37 0.00 0.00 175.52 176.09 3hni h ASN 99 N -0.27 0.50 -0.74 0.00 -0.26 -0.87 -2.13 115.58 111.81 3hni h ASN 99 Ca 0.12 -0.17 0.04 0.00 -0.56 0.00 0.00 56.30 55.74 3hni h ASN 99 Cb 0.45 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.53 3hni h ASN 99 CO -0.34 0.53 0.46 0.00 -1.06 0.00 0.00 177.43 177.01 3hni h ALA 100 N 0.99 0.99 -0.29 -0.83 0.00 -1.13 0.85 119.26 119.83 3hni h ALA 100 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3hni h ALA 100 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hni h ALA 100 CO -0.01 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 179.08 3hni h HIS 102 N 0.52 0.62 -0.73 0.00 -0.00 -0.98 0.12 115.15 114.71 3hni h HIS 102 Ca 0.04 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.52 3hni h HIS 102 Cb 0.96 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 28.11 3hni h HIS 102 CO 0.07 0.39 0.48 1.96 -0.00 0.00 0.00 177.93 180.83 3hni h GLN 103 N 0.67 0.61 0.10 2.45 4.20 -0.81 -1.71 115.11 120.62 3hni h GLN 103 Ca 0.18 -0.04 -0.36 0.00 0.06 0.00 0.00 58.65 58.50 3hni h GLN 103 Cb -0.07 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 3hni h GLN 103 CO -0.04 0.41 -1.99 1.63 -0.67 0.00 0.00 178.83 178.16 3hni n LYS 104 N -4.49 0.74 -0.00 1.46 5.02 -1.04 -4.75 118.16 115.09 3hni n LYS 104 Ca 0.12 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3hni n LYS 104 Cb 0.33 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.40 0.00 1.24 2.13 0.53 0.39 -5.11 117.16 112.94 3hni n TYR 105 Ca -0.31 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.70 3hni n TYR 105 Cb 1.05 -0.00 0.30 0.00 -1.03 0.00 0.00 39.34 39.66 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71