#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 2.72 0.16 0.00 -0.00 -1.26 -4.86 116.67 113.43 3hni s ASP 2 Ca 0.00 1.56 -0.16 0.00 -0.00 0.00 0.00 52.55 53.96 3hni s ASP 2 Cb 0.00 -2.22 0.03 0.00 -0.00 0.00 0.00 42.92 40.73 3hni s ASP 2 CO 0.00 -3.12 1.81 0.25 -0.00 0.00 0.00 175.17 174.11 3hni h LEU 3 N -1.88 0.45 -0.43 1.23 6.46 -1.95 -1.87 115.31 117.32 3hni h LEU 3 Ca -0.52 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.27 3hni h LEU 3 Cb 1.30 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 3hni h LEU 3 CO 0.52 0.32 0.22 -0.33 -0.62 0.00 0.00 178.44 178.55 3hni h GLU 4 N 0.54 0.43 -0.37 1.25 3.07 -1.98 0.95 114.58 118.47 3hni h GLU 4 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 3hni h GLU 4 Cb -0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3hni h GLU 4 CO -0.05 0.29 0.12 -0.44 -1.40 0.00 0.00 179.01 177.53 3hni h ASP 5 N 0.45 0.53 -0.96 1.42 3.32 -1.89 0.32 116.42 119.61 3hni h ASP 5 Ca 0.18 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3hni h ASP 5 Cb 0.07 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 3hni h ASP 5 CO -0.12 0.59 0.63 0.78 -1.72 0.00 0.00 179.24 179.40 3hni h ASN 6 N 0.45 1.02 -0.53 6.45 2.35 -1.12 -0.70 115.58 123.49 3hni h ASN 6 Ca 0.12 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 3hni h ASN 6 Cb 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3hni h ASN 6 CO -0.01 0.68 -0.11 0.24 -1.65 0.00 0.00 177.43 176.59 3hni h MET 7 N 1.17 1.01 -0.38 0.81 2.86 -0.29 -0.98 114.93 119.12 3hni h MET 7 Ca 0.40 -0.38 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3hni h MET 7 Cb 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3hni h MET 7 CO -0.14 1.06 0.06 0.93 1.06 0.00 0.00 176.91 179.88 3hni h GLU 8 N 0.88 0.63 -0.42 1.72 4.39 -0.68 -0.17 114.58 120.93 3hni h GLU 8 Ca 0.14 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.75 3hni h GLU 8 Cb 0.67 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 3hni h GLU 8 CO 0.05 0.69 -0.01 1.15 -1.16 0.00 0.00 179.01 179.73 3hni h THR 9 N 0.48 0.67 -0.28 1.13 2.02 -1.01 0.38 112.91 116.30 3hni h THR 9 Ca 0.12 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3hni h THR 9 Cb 0.36 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3hni h THR 9 CO 0.01 0.02 0.14 -0.07 0.37 0.00 0.00 175.52 175.99 3hni h LEU 10 N 0.10 0.21 0.27 2.58 4.07 -1.01 -1.91 115.31 119.63 3hni h LEU 10 Ca 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 3hni h LEU 10 Cb 0.30 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 3hni h LEU 10 CO -0.35 0.16 -0.16 -1.13 -1.08 0.00 0.00 178.44 175.87 3hni h ASN 11 N 0.29 -0.41 -0.48 -0.43 -1.24 -0.26 -2.40 115.58 110.65 3hni h ASN 11 Ca 0.11 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.18 3hni h ASN 11 Cb 0.03 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 3hni h ASN 11 CO -0.07 -0.27 0.26 0.44 -1.29 0.00 0.00 177.43 176.50 3hni h ASP 12 N -0.42 0.40 0.98 1.15 3.32 -0.16 -2.84 116.42 118.84 3hni h ASP 12 Ca -0.03 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3hni h ASP 12 Cb 0.35 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hni h ASP 12 CO 0.03 0.28 -0.47 0.78 -1.72 0.00 0.00 179.24 178.14 3hni h ASN 13 N 0.52 0.00 -0.56 6.45 4.21 -1.36 -2.19 115.58 122.65 3hni h ASN 13 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3hni h ASN 13 Cb 0.08 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.25 3hni h ASN 13 CO -0.12 0.47 0.36 0.25 -1.29 0.00 0.00 177.43 177.10 3hni h LEU 14 N 0.00 0.65 -0.57 1.61 5.85 -1.20 -1.17 115.31 120.48 3hni h LEU 14 Ca -0.00 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3hni h LEU 14 Cb 1.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3hni h LEU 14 CO 0.06 0.49 -0.07 0.11 -0.34 0.00 0.00 178.44 178.69 3hni h LYS 15 N 0.76 1.05 -1.01 1.25 1.57 -1.30 -2.53 116.57 116.37 3hni h LYS 15 Ca 0.20 -0.37 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hni h LYS 15 Cb -0.07 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.09 3hni h LYS 15 CO -0.04 1.07 0.65 0.28 -0.57 0.00 0.00 179.45 180.83 3hni h VAL 16 N 0.94 1.04 -0.52 0.50 2.07 -1.17 -1.97 116.25 117.14 3hni h VAL 16 Ca 0.15 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3hni h VAL 16 Cb 0.64 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3hni h VAL 16 CO 0.04 0.21 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 3hni h ILE 17 N 1.13 1.27 -0.47 4.57 2.04 -0.96 -1.93 117.51 123.15 3hni h ILE 17 Ca 0.45 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3hni h ILE 17 Cb 0.27 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3hni h ILE 17 CO -0.20 0.43 0.27 -0.33 0.00 0.00 0.00 178.15 178.32 3hni h GLU 18 N 0.85 0.52 -0.00 2.37 5.08 -0.99 -2.80 114.58 119.60 3hni h GLU 18 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hni h GLU 18 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hni h GLU 18 CO 0.04 0.35 -0.23 1.63 -1.00 0.00 0.00 179.01 179.79 3hni n LYS 19 N -4.84 0.13 -1.84 2.33 5.02 -0.79 -4.96 118.16 113.21 3hni n LYS 19 Ca 0.03 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 3hni n LYS 19 Cb 0.08 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.90 2.67 -0.03 7.82 0.00 -0.73 -4.97 121.76 123.63 3hni s ALA 20 Ca 0.15 1.23 0.13 0.00 0.00 0.00 0.00 51.96 53.47 3hni s ALA 20 Cb 0.19 -3.54 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 3hni s ALA 20 CO 0.59 -1.35 0.26 -0.25 0.00 0.00 0.00 175.76 175.01 3hni n ASP 21 N -1.30 2.11 -4.06 0.00 9.92 -1.26 -5.06 116.55 116.91 3hni n ASP 21 Ca 0.12 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 3hni n ASP 21 Cb 0.47 1.51 -0.07 0.00 -0.64 0.00 0.00 41.12 42.38 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hni s ASN 22 N -3.54 0.05 0.25 -2.24 2.20 -1.26 -5.07 114.94 105.33 3hni s ASN 22 Ca -0.05 -1.15 -0.01 0.00 -0.94 0.00 0.00 52.86 50.72 3hni s ASN 22 Cb 0.08 0.50 0.29 0.00 -2.00 0.00 0.00 41.25 40.12 3hni s ASN 22 CO 0.52 -1.02 1.66 0.00 -2.94 0.00 0.00 177.10 175.33 3hni h ALA 23 N 2.40 0.97 -0.93 3.54 0.00 -1.92 -3.06 119.26 120.27 3hni h ALA 23 Ca -0.30 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.26 3hni h ALA 23 Cb 1.25 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3hni h ALA 23 CO 0.43 0.60 0.61 0.00 0.00 0.00 0.00 179.25 180.89 3hni h ALA 24 N 1.18 1.22 -0.39 0.00 0.00 -1.98 0.27 119.26 119.57 3hni h ALA 24 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hni h ALA 24 Cb 0.74 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hni h ALA 24 CO 0.06 0.49 0.11 1.96 0.00 0.00 0.00 179.25 181.87 3hni h GLN 25 N 1.19 0.61 -0.11 0.00 4.20 -1.96 -1.40 115.11 117.64 3hni h GLN 25 Ca 0.36 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3hni h GLN 25 Cb -0.03 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hni h GLN 25 CO -0.11 0.63 -0.00 0.28 -0.67 0.00 0.00 178.83 178.96 3hni h VAL 26 N 0.48 1.25 -0.37 -0.54 2.07 -1.40 -1.94 116.25 115.80 3hni h VAL 26 Ca 0.12 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3hni h VAL 26 Cb 0.28 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 3hni h VAL 26 CO -0.00 0.23 -0.15 0.11 0.02 0.00 0.00 177.57 177.78 3hni h LYS 27 N -0.08 -0.08 -0.80 1.57 1.57 -0.42 -0.25 116.57 118.08 3hni h LYS 27 Ca 0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hni h LYS 27 Cb 0.36 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3hni h LYS 27 CO 0.01 -0.05 0.44 0.22 -0.57 0.00 0.00 179.45 179.49 3hni h ASP 28 N -0.09 0.99 -0.39 0.86 1.82 -1.20 -1.12 116.42 117.31 3hni h ASP 28 Ca 0.18 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.59 3hni h ASP 28 Cb 0.37 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 3hni h ASP 28 CO -0.43 0.80 -0.29 0.00 -1.61 0.00 0.00 179.24 177.72 3hni h ALA 29 N 1.23 0.69 -0.41 -0.78 0.00 -0.72 -2.53 119.26 116.74 3hni h ALA 29 Ca 0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3hni h ALA 29 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hni h ALA 29 CO -0.05 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.51 3hni h LEU 30 N 0.77 0.93 -0.47 0.00 3.38 -0.80 -1.65 115.31 117.48 3hni h LEU 30 Ca 0.09 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.75 3hni h LEU 30 Cb 0.86 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3hni h LEU 30 CO 0.08 1.15 0.10 0.74 0.09 0.00 0.00 178.44 180.60 3hni h THR 31 N 0.76 0.75 -0.62 0.22 2.02 -1.12 0.11 112.91 115.03 3hni h THR 31 Ca 0.08 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 3hni h THR 31 Cb 0.86 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3hni h THR 31 CO 0.08 0.04 0.29 0.11 0.37 0.00 0.00 175.52 176.41 3hni h LYS 32 N 0.24 0.90 -0.72 6.66 1.57 -1.22 -2.52 116.57 121.48 3hni h LYS 32 Ca 0.23 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3hni h LYS 32 Cb 0.30 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3hni h LYS 32 CO -0.30 0.73 0.47 0.52 -0.57 0.00 0.00 179.45 180.31 3hni h MET 33 N 0.85 0.92 -0.52 3.15 2.86 -0.74 -1.39 114.93 120.06 3hni h MET 33 Ca 0.21 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3hni h MET 33 Cb 0.14 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3hni h MET 33 CO -0.02 0.61 0.29 0.00 1.06 0.00 0.00 176.91 178.85 3hni h ALA 34 N 1.28 0.67 -0.34 6.32 0.00 -0.57 0.14 119.26 126.76 3hni h ALA 34 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 3hni h ALA 34 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hni h ALA 34 CO -0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 179.25 178.76 3hni h ALA 35 N 1.25 0.64 -0.34 0.00 0.00 -1.22 -1.21 119.26 118.40 3hni h ALA 35 Ca 0.22 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hni h ALA 35 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hni h ALA 35 CO -0.12 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.01 3hni h ALA 36 N 0.86 0.43 -0.46 0.00 0.00 -1.03 -0.42 119.26 118.64 3hni h ALA 36 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3hni h ALA 36 Cb 0.97 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hni h ALA 36 CO 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 3hni h ALA 37 N 1.10 0.62 -0.67 0.00 0.00 -0.89 -0.58 119.26 118.84 3hni h ALA 37 Ca 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3hni h ALA 37 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hni h ALA 37 CO -0.02 0.47 0.20 0.00 0.00 0.00 0.00 179.25 179.90 3hni h ALA 38 N 0.89 1.09 0.00 0.00 0.00 -1.14 -2.73 119.26 117.37 3hni h ALA 38 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3hni h ALA 38 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hni h ALA 38 CO 0.03 0.62 -0.56 0.22 0.00 0.00 0.00 179.25 179.56 3hni h ASP 39 N 0.99 0.00 0.37 0.00 3.58 -0.85 -2.87 116.42 117.64 3hni h ASP 39 Ca 0.22 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3hni h ASP 39 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 3hni h ASP 39 CO -0.01 0.56 -0.10 0.00 -2.88 0.00 0.00 179.24 176.81 3hni h ALA 40 N 1.44 1.27 -0.95 -0.78 0.00 -0.80 -3.32 119.26 116.12 3hni h ALA 40 Ca -0.01 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.09 3hni h ALA 40 Cb 0.99 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 3hni h ALA 40 CO 0.07 0.13 0.42 2.35 0.00 0.00 0.00 179.25 182.23 3hni h TRP 41 N 0.00 0.68 -0.01 0.00 7.01 -1.35 -1.18 115.95 121.11 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 0.31 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 3hni h TRP 41 CO 0.00 -0.17 -0.03 -1.13 -2.79 0.00 0.00 178.44 174.32 3hni n SER 42 N -5.11 0.76 -4.81 2.65 3.41 -1.25 -4.93 113.62 104.34 3hni n SER 42 Ca 0.27 -1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 57.41 3hni n SER 42 Cb 0.83 -0.01 -0.07 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 -2.11 3.09 -0.27 7.33 0.00 -0.45 -5.05 121.76 124.31 3hni s ALA 43 Ca 0.39 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3hni s ALA 43 Cb 0.21 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3hni s ALA 43 CO 0.38 0.15 0.09 0.99 0.00 0.00 0.00 175.76 177.37 3hni s THR 44 N -2.02 4.39 0.50 0.00 2.01 -1.26 -5.04 115.64 114.22 3hni s THR 44 Ca 0.59 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.11 3hni s THR 44 Cb -0.12 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 3hni s THR 44 CO 0.16 0.25 1.13 -2.16 -0.69 0.00 0.00 174.62 173.31 3hni s PRO 45 N 1.61 3.58 0.35 4.92 0.04 -1.26 -4.90 135.00 139.34 3hni s PRO 45 Ca 0.06 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.84 3hni s PRO 45 Cb -0.16 -2.19 0.84 0.00 0.04 0.00 0.00 34.50 33.03 3hni s PRO 45 CO 0.04 -0.67 1.85 -1.35 0.04 0.00 0.00 177.00 176.91 3hni h PRO 46 N 1.62 0.65 0.00 0.56 0.11 -1.99 -0.82 132.00 132.12 3hni h PRO 46 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3hni h PRO 46 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hni h PRO 46 CO 0.59 0.43 -0.00 -0.22 -0.21 0.00 0.00 178.00 178.59 3hni h LYS 47 N 0.67 0.00 -0.17 1.05 1.63 -1.92 -2.84 116.57 114.99 3hni h LYS 47 Ca 0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 3hni h LYS 47 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3hni h LYS 47 CO -0.23 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.05 3hni n LEU 48 N -3.09 2.91 -0.03 5.20 4.77 -0.34 -4.69 117.00 121.74 3hni n LEU 48 Ca -0.01 -2.60 0.03 0.00 -0.03 0.00 0.00 56.01 53.40 3hni n LEU 48 Cb 0.18 -0.34 0.40 0.00 -2.33 0.00 0.00 43.42 41.33 3hni n LEU 48 CO 0.23 0.66 1.16 -0.33 -1.33 0.00 0.00 177.39 177.79 3hni h GLU 49 N 1.06 0.59 -0.00 3.23 5.08 -1.24 -2.33 114.58 120.97 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 0.98 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hni h GLU 49 CO 0.07 0.40 -0.05 -0.25 -1.00 0.00 0.00 179.01 178.18 3hni n ASP 50 N -4.46 0.19 -4.88 1.42 8.00 -1.26 -4.84 116.55 110.72 3hni n ASP 50 Ca 0.04 -0.30 -0.32 0.00 0.71 0.00 0.00 54.79 54.92 3hni n ASP 50 Cb 0.06 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 3hni n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hni s LYS 51 N -2.55 3.76 0.44 -1.24 -0.14 -0.88 -5.06 119.74 114.06 3hni s LYS 51 Ca 0.28 0.19 -0.26 0.00 -1.36 0.00 0.00 55.97 54.82 3hni s LYS 51 Cb 0.20 -2.68 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 3hni s LYS 51 CO 0.47 0.34 1.46 0.45 -0.76 0.00 0.00 175.35 177.31 3hni n SER 52 N -0.14 3.49 0.09 2.83 2.88 -1.26 -4.90 113.62 116.60 3hni n SER 52 Ca -0.00 1.15 0.20 0.00 -1.33 0.00 0.00 58.87 58.88 3hni n SER 52 Cb 0.52 -1.61 0.75 0.00 -0.75 0.00 0.00 64.21 63.12 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 2.46 0.00 -0.66 -1.46 0.11 -1.95 -0.99 132.00 129.51 3hni h PRO 53 Ca -0.51 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.12 3hni h PRO 53 Cb 1.26 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.02 3hni h PRO 53 CO 0.62 0.00 -0.60 -0.25 -0.21 0.00 0.00 178.00 177.56 3hni n ASP 54 N -3.87 4.67 -4.85 -2.05 10.43 -1.26 -4.81 116.55 114.81 3hni n ASP 54 Ca 0.07 -3.77 -0.31 0.00 2.57 0.00 0.00 54.79 53.34 3hni n ASP 54 Cb 0.57 -0.43 0.01 0.00 1.84 0.00 0.00 41.12 43.10 3hni n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hni s SER 55 N -3.35 6.16 0.27 -2.24 1.04 -0.38 -4.90 113.70 110.30 3hni s SER 55 Ca 0.50 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.37 3hni s SER 55 Cb 0.41 -2.49 0.49 0.00 0.10 0.00 0.00 66.02 64.54 3hni s SER 55 CO 0.02 -0.92 1.58 -0.65 0.98 0.00 0.00 173.24 174.25 3hni h PRO 56 N -0.08 0.01 -0.39 4.02 0.10 -1.97 -0.80 132.00 132.90 3hni h PRO 56 Ca -0.45 -0.00 -0.00 0.00 0.10 0.00 0.00 66.00 65.65 3hni h PRO 56 Cb 1.19 -0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 3hni h PRO 56 CO 0.61 0.01 0.24 0.93 0.10 0.00 0.00 178.00 179.88 3hni h GLU 57 N 0.01 0.52 -0.18 1.05 3.07 -1.93 -0.58 114.58 116.54 3hni h GLU 57 Ca 0.48 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.17 3hni h GLU 57 Cb 0.80 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3hni h GLU 57 CO -0.93 0.38 -0.40 0.52 -1.40 0.00 0.00 179.01 177.19 3hni h MET 58 N 0.51 0.40 -0.42 2.33 2.86 -1.69 0.85 114.93 119.77 3hni h MET 58 Ca 0.14 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3hni h MET 58 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3hni h MET 58 CO -0.03 0.74 0.13 0.45 1.06 0.00 0.00 176.91 179.26 3hni h HIS 59 N 0.33 0.68 -0.71 -0.22 3.86 -0.92 -2.02 115.15 116.15 3hni h HIS 59 Ca 0.03 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 3hni h HIS 59 Cb 0.85 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 3hni h HIS 59 CO 0.02 0.62 0.15 0.22 0.86 0.00 0.00 177.93 179.81 3hni h ASP 60 N 0.54 1.09 0.10 2.45 3.58 -0.77 -0.37 116.42 123.05 3hni h ASP 60 Ca 0.13 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3hni h ASP 60 Cb 0.27 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3hni h ASP 60 CO -0.00 1.05 -0.19 0.15 -2.88 0.00 0.00 179.24 177.36 3hni h PHE 61 N 1.08 -0.51 0.00 0.28 3.57 -0.78 -2.79 116.94 117.79 3hni h PHE 61 Ca 0.22 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3hni h PHE 61 Cb 0.40 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3hni h PHE 61 CO 0.03 -0.28 -0.27 0.00 -2.23 0.00 0.00 178.31 175.56 3hni h ARG 62 N -0.37 0.00 -0.86 1.11 3.08 -1.21 -2.54 114.38 113.59 3hni h ARG 62 Ca 0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.21 3hni h ARG 62 Cb 0.39 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 3hni h ARG 62 CO -0.11 0.27 0.47 1.25 -1.07 0.00 0.00 179.97 180.78 3hni h HIS 63 N 0.00 0.83 -0.24 3.04 2.76 -0.79 -1.33 115.15 119.42 3hni h HIS 63 Ca -0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3hni h HIS 63 Cb 0.67 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3hni h HIS 63 CO 0.00 0.25 0.16 0.78 -1.30 0.00 0.00 177.93 177.82 3hni h GLY 64 N 0.70 0.28 1.17 5.26 0.00 -1.37 -1.58 103.07 107.53 3hni h GLY 64 Ca 0.45 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.50 3hni h GLY 64 CO -0.33 0.09 -0.57 0.74 0.00 0.00 0.00 176.54 176.48 3hni h PHE 65 N 0.25 1.09 -0.41 5.60 0.05 -1.35 -1.55 116.94 120.62 3hni h PHE 65 Ca 0.10 -0.40 0.08 0.00 3.82 0.00 0.00 57.97 61.57 3hni h PHE 65 Cb 0.08 -0.20 -0.07 0.00 2.00 0.00 0.00 35.95 37.76 3hni h PHE 65 CO -0.00 1.23 0.00 -1.49 -0.18 0.00 0.00 178.31 177.87 3hni h TRP 66 N 0.65 -0.02 -0.04 -0.55 6.55 -0.86 0.17 115.95 121.86 3hni h TRP 66 Ca 0.01 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.90 3hni h TRP 66 Cb 1.18 0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 29.53 3hni h TRP 66 CO 0.07 -0.08 -0.09 0.82 -1.05 0.00 0.00 178.44 178.11 3hni h ILE 67 N 0.11 0.76 -0.22 1.49 1.08 -1.27 -0.56 117.51 118.90 3hni h ILE 67 Ca 0.20 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 3hni h ILE 67 Cb 0.29 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 3hni h ILE 67 CO -0.34 0.00 0.14 0.25 -0.69 0.00 0.00 178.15 177.51 3hni h LEU 68 N -0.14 0.25 -0.61 1.44 5.85 -0.99 -1.90 115.31 119.20 3hni h LEU 68 Ca 0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hni h LEU 68 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3hni h LEU 68 CO -0.12 0.19 0.35 0.40 -0.34 0.00 0.00 178.44 178.92 3hni h ILE 69 N 0.29 1.02 -0.90 4.05 2.04 -0.50 -1.00 117.51 122.50 3hni h ILE 69 Ca 0.08 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3hni h ILE 69 Cb -0.03 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 3hni h ILE 69 CO -0.02 0.12 0.58 1.23 0.00 0.00 0.00 178.15 180.07 3hni h GLY 70 N 0.68 1.35 1.02 5.37 0.00 -0.86 -0.83 103.07 109.80 3hni h GLY 70 Ca 0.26 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3hni h GLY 70 CO -0.14 0.33 -0.35 1.46 0.00 0.00 0.00 176.54 177.84 3hni h GLN 71 N 1.08 0.76 -0.39 4.80 4.20 -0.60 -1.93 115.11 123.03 3hni h GLN 71 Ca 0.38 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3hni h GLN 71 Cb 0.09 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3hni h GLN 71 CO -0.15 1.05 0.19 0.82 -0.67 0.00 0.00 178.83 180.07 3hni h ILE 72 N 0.51 1.17 -0.42 2.54 2.04 -1.06 -0.68 117.51 121.61 3hni h ILE 72 Ca 0.04 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.49 3hni h ILE 72 Cb 0.94 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 3hni h ILE 72 CO 0.08 0.19 -0.12 -0.74 0.00 0.00 0.00 178.15 177.56 3hni h HIS 73 N 0.49 -0.28 -0.30 1.37 2.76 -1.03 0.12 115.15 118.28 3hni h HIS 73 Ca 0.13 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 3hni h HIS 73 Cb 0.13 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 3hni h HIS 73 CO -0.01 -0.20 -0.29 0.22 -1.30 0.00 0.00 177.93 176.35 3hni h ASP 74 N -0.03 0.77 -0.91 3.26 1.82 -1.10 -2.79 116.42 117.44 3hni h ASP 74 Ca 0.20 -0.47 0.02 0.00 -0.39 0.00 0.00 57.03 56.40 3hni h ASP 74 Cb 0.34 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 3hni h ASP 74 CO -0.45 1.08 0.60 0.00 -1.61 0.00 0.00 179.24 178.86 3hni h ALA 75 N 0.71 1.39 -0.58 -0.78 0.00 -0.73 -2.19 119.26 117.08 3hni h ALA 75 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hni h ALA 75 Cb 0.86 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hni h ALA 75 CO 0.07 0.55 0.27 1.25 0.00 0.00 0.00 179.25 181.39 3hni h LEU 76 N 1.19 0.76 -0.46 0.00 5.85 -0.64 -1.03 115.31 120.98 3hni h LEU 76 Ca 0.34 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3hni h LEU 76 Cb -0.07 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 3hni h LEU 76 CO -0.09 0.69 0.09 0.45 -0.34 0.00 0.00 178.44 179.25 3hni h HIS 77 N 0.79 0.15 -0.61 1.25 3.86 -1.15 0.13 115.15 119.57 3hni h HIS 77 Ca 0.20 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3hni h HIS 77 Cb 0.14 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3hni h HIS 77 CO 0.00 0.01 0.40 -0.07 0.86 0.00 0.00 177.93 179.13 3hni h LEU 78 N 0.23 0.69 -0.68 2.43 3.38 -0.84 0.11 115.31 120.62 3hni h LEU 78 Ca 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3hni h LEU 78 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hni h LEU 78 CO -0.30 0.49 0.38 0.00 0.09 0.00 0.00 178.44 179.11 3hni h ALA 79 N 1.23 0.88 -0.55 1.53 0.00 -0.83 -1.00 119.26 120.51 3hni h ALA 79 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3hni h ALA 79 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3hni h ALA 79 CO -0.06 0.38 0.37 -0.91 0.00 0.00 0.00 179.25 179.04 3hni h ASN 80 N 0.94 0.49 0.31 0.00 -0.26 0.27 0.00 115.58 117.34 3hni h ASN 80 Ca 0.24 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hni h ASN 80 Cb 0.03 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3hni h ASN 80 CO -0.04 0.33 0.00 -0.62 -1.06 0.00 0.00 177.43 176.04 3hni n GLU 81 N -4.47 0.50 -0.98 0.81 1.02 -0.07 -4.88 120.64 112.56 3hni n GLU 81 Ca 0.07 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3hni n GLU 81 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.74 0.44 3.21 0.62 0.00 -0.01 -4.97 105.19 105.22 3hni n GLY 82 Ca 0.14 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.98 3.62 0.21 1.61 5.02 -0.44 -4.84 118.16 120.36 3hni n LYS 83 Ca 0.00 -3.96 -0.15 0.00 -2.02 0.00 0.00 58.31 52.19 3hni n LYS 83 Cb 0.00 -2.85 -0.08 0.00 -0.02 0.00 0.00 35.03 32.08 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 4.04 0.64 -0.38 -0.18 2.07 -1.88 -0.79 116.25 119.77 3hni h VAL 84 Ca 0.30 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3hni h VAL 84 Cb 0.77 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3hni h VAL 84 CO 1.33 0.05 0.03 0.11 0.02 0.00 0.00 177.57 179.11 3hni h LYS 85 N -0.63 0.14 -0.03 1.57 1.79 -1.98 0.57 116.57 118.00 3hni h LYS 85 Ca -0.05 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.27 3hni h LYS 85 Cb 0.46 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3hni h LYS 85 CO 0.08 0.09 -0.62 1.05 -1.08 0.00 0.00 179.45 178.97 3hni h GLU 86 N 0.14 0.09 -0.55 3.15 4.11 -1.95 0.81 114.58 120.38 3hni h GLU 86 Ca 0.18 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.45 3hni h GLU 86 Cb 0.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3hni h GLU 86 CO -0.28 0.69 -0.05 0.00 0.07 0.00 0.00 179.01 179.44 3hni h ALA 87 N 1.30 0.88 -0.35 1.06 0.00 -0.84 0.16 119.26 121.47 3hni h ALA 87 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3hni h ALA 87 Cb 1.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hni h ALA 87 CO 0.09 0.65 -0.14 1.96 0.00 0.00 0.00 179.25 181.80 3hni h GLN 88 N 0.89 0.62 -0.18 0.00 4.20 -0.39 -1.65 115.11 118.60 3hni h GLN 88 Ca 0.15 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3hni h GLN 88 Cb 0.58 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3hni h GLN 88 CO 0.04 0.74 -0.15 0.00 -0.67 0.00 0.00 178.83 178.79 3hni h ALA 89 N 1.28 0.26 -0.94 3.87 0.00 -0.65 -1.30 119.26 121.79 3hni h ALA 89 Ca 0.10 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.83 3hni h ALA 89 Cb 0.57 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 3hni h ALA 89 CO 0.04 0.15 0.55 0.00 0.00 0.00 0.00 179.25 179.99 3hni h ALA 90 N 0.65 1.44 -0.55 0.00 0.00 -0.87 -0.49 119.26 119.44 3hni h ALA 90 Ca 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hni h ALA 90 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hni h ALA 90 CO 0.04 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.38 3hni h ALA 91 N 1.56 0.74 -0.71 0.00 0.00 -1.15 -2.11 119.26 117.59 3hni h ALA 91 Ca 0.50 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3hni h ALA 91 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hni h ALA 91 CO -0.32 0.53 0.26 0.93 0.00 0.00 0.00 179.25 180.65 3hni h GLU 92 N 0.83 1.06 -0.40 0.00 4.39 -0.49 -3.16 114.58 116.81 3hni h GLU 92 Ca 0.16 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3hni h GLU 92 Cb 0.48 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3hni h GLU 92 CO 0.02 0.88 -0.21 1.96 -1.16 0.00 0.00 179.01 180.50 3hni h GLN 93 N 1.03 0.78 0.00 2.33 4.20 -0.97 -2.85 115.11 119.64 3hni h GLN 93 Ca 0.23 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hni h GLN 93 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3hni h GLN 93 CO -0.02 0.92 0.00 1.47 -0.67 0.00 0.00 178.83 180.54 3hni n LEU 94 N -4.12 0.21 -0.26 1.46 -0.00 -0.81 -1.89 117.00 111.61 3hni n LEU 94 Ca 0.00 0.56 0.18 0.00 -0.00 0.00 0.00 56.01 56.76 3hni n LEU 94 Cb 0.43 -0.55 0.48 0.00 -0.00 0.00 0.00 43.42 43.78 3hni n LEU 94 CO 0.44 -0.44 1.22 0.11 -0.00 0.00 0.00 177.39 178.72 3hni h LYS 95 N 0.00 0.45 -0.80 1.47 1.57 -1.56 -0.93 116.57 116.77 3hni h LYS 95 Ca 0.00 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3hni h LYS 95 Cb 0.20 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3hni h LYS 95 CO 0.00 0.30 0.52 1.15 -0.57 0.00 0.00 179.45 180.85 3hni h THR 96 N 0.46 1.07 -0.01 -0.16 2.02 -1.59 0.60 112.91 115.30 3hni h THR 96 Ca 0.48 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3hni h THR 96 Cb 1.12 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3hni h THR 96 CO -0.20 0.16 0.00 0.74 0.37 0.00 0.00 175.52 176.59 3hni h THR 97 N 0.90 1.22 -0.42 3.16 2.02 -1.37 -0.78 112.91 117.64 3hni h THR 97 Ca 0.33 -0.66 0.08 0.00 0.77 0.00 0.00 66.41 66.94 3hni h THR 97 Cb 0.17 1.66 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 3hni h THR 97 CO -0.11 0.17 -0.35 0.00 0.37 0.00 0.00 175.52 175.60 3hni h ASN 99 N -0.26 0.91 -0.50 0.00 -0.26 -0.88 -2.27 115.58 112.33 3hni h ASN 99 Ca 0.17 -0.40 0.05 0.00 -0.56 0.00 0.00 56.30 55.56 3hni h ASN 99 Cb 0.55 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.51 3hni h ASN 99 CO -0.56 1.11 0.22 0.00 -1.06 0.00 0.00 177.43 177.14 3hni h ALA 100 N 0.83 0.62 -0.50 -0.83 0.00 -0.96 0.26 119.26 118.69 3hni h ALA 100 Ca 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hni h ALA 100 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3hni h ALA 100 CO 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.15 3hni h HIS 102 N 0.76 0.98 -0.86 0.00 -0.00 -0.97 0.88 115.15 115.93 3hni h HIS 102 Ca 0.14 -0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.58 3hni h HIS 102 Cb 0.54 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.59 3hni h HIS 102 CO 0.04 0.75 0.56 1.96 -0.00 0.00 0.00 177.93 181.23 3hni h GLN 103 N 0.92 0.68 0.11 2.45 7.50 -0.86 -1.31 115.11 124.60 3hni h GLN 103 Ca 0.22 -0.04 -0.35 0.00 0.50 0.00 0.00 58.65 58.98 3hni h GLN 103 Cb 0.16 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 3hni h GLN 103 CO -0.02 0.45 -1.92 0.87 -1.50 0.00 0.00 178.83 176.70 3hni h LYS 104 N 0.70 0.23 0.00 1.46 1.57 -1.25 -3.44 116.57 115.84 3hni h LYS 104 Ca 0.42 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hni h LYS 104 Cb 0.64 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3hni h LYS 104 CO -0.18 1.10 -0.10 0.66 -0.57 0.00 0.00 179.45 180.36 3hni n TYR 105 N -3.42 0.00 1.27 -1.35 4.02 0.26 -5.11 117.16 112.84 3hni n TYR 105 Ca -0.28 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.74 3hni n TYR 105 Cb 1.05 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.70 3hni n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72