#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l8r n ASN 2 N 0.00 0.00 -0.13 6.12 4.05 -1.26 -4.67 115.26 119.38 3l8r n ASN 2 Ca 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 54.94 3l8r n ASN 2 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 3l8r n ASN 2 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3l8r h THR 3 N 0.00 1.19 -0.49 -0.44 2.02 -1.99 -1.47 112.91 111.73 3l8r h THR 3 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3l8r h THR 3 Cb 0.00 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3l8r h THR 3 CO 0.00 0.21 0.31 -0.33 0.37 0.00 0.00 175.52 176.08 3l8r h GLU 4 N 0.47 0.66 -0.41 6.66 4.39 -2.01 0.29 114.58 124.63 3l8r h GLU 4 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3l8r h GLU 4 Cb 0.19 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3l8r h GLU 4 CO -0.01 0.46 0.20 1.49 -1.16 0.00 0.00 179.01 179.99 3l8r h GLU 5 N 0.66 0.59 -0.09 2.33 4.81 -1.88 -1.07 114.58 119.94 3l8r h GLU 5 Ca 0.18 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3l8r h GLU 5 Cb -0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3l8r h GLU 5 CO -0.04 0.51 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.14 3l8r h LEU 6 N 0.53 0.30 -0.38 1.64 3.38 -1.10 0.07 115.31 119.75 3l8r h LEU 6 Ca 0.14 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3l8r h LEU 6 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3l8r h LEU 6 CO -0.02 0.78 -0.20 1.56 0.09 0.00 0.00 178.44 180.65 3l8r h GLN 7 N 0.21 0.80 0.68 1.13 4.20 -0.80 -0.61 115.11 120.72 3l8r h GLN 7 Ca 0.00 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3l8r h GLN 7 Cb 1.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3l8r h GLN 7 CO 0.09 0.99 -0.47 0.28 -0.67 0.00 0.00 178.83 179.05 3l8r h VAL 8 N 0.60 0.07 -0.91 -0.54 2.07 -0.93 -0.83 116.25 115.78 3l8r h VAL 8 Ca 0.08 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 3l8r h VAL 8 Cb 0.76 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 30.43 3l8r h VAL 8 CO 0.06 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.71 3l8r h ALA 9 N -0.95 1.09 -0.09 1.67 0.00 -1.04 0.16 119.26 120.10 3l8r h ALA 9 Ca -0.09 0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3l8r h ALA 9 Cb 0.90 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3l8r h ALA 9 CO 0.06 -0.51 -0.41 0.00 0.00 0.00 0.00 179.25 178.39 3l8r h ALA 10 N 1.87 1.15 0.05 0.00 0.00 -0.40 -1.86 119.26 120.07 3l8r h ALA 10 Ca 0.54 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 3l8r h ALA 10 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3l8r h ALA 10 CO -0.80 0.58 -1.23 0.74 0.00 0.00 0.00 179.25 178.53 3l8r h PHE 11 N 0.17 0.20 -0.54 0.00 0.04 0.49 -1.60 116.94 115.70 3l8r h PHE 11 Ca 0.02 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.66 3l8r h PHE 11 Cb 0.80 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 3l8r h PHE 11 CO 0.01 1.13 0.33 1.49 -0.60 0.00 0.00 178.31 180.67 3l8r h GLU 12 N 0.03 0.63 0.56 1.51 4.81 -0.56 0.26 114.58 121.82 3l8r h GLU 12 Ca -0.11 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3l8r h GLU 12 Cb 1.89 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 31.13 3l8r h GLU 12 CO 0.15 0.41 -0.27 0.82 -0.73 0.00 0.00 179.01 179.39 3l8r h ILE 13 N 0.65 0.28 -0.45 2.32 2.04 -1.23 -1.90 117.51 119.21 3l8r h ILE 13 Ca 0.22 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.80 3l8r h ILE 13 Cb 0.02 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 3l8r h ILE 13 CO -0.10 0.04 -0.10 0.40 0.00 0.00 0.00 178.15 178.39 3l8r h ILE 14 N -1.04 0.56 -0.13 -0.67 2.04 -1.23 0.14 117.51 117.19 3l8r h ILE 14 Ca -0.08 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3l8r h ILE 14 Cb 0.64 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3l8r h ILE 14 CO 0.13 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.26 3l8r h LEU 15 N 0.01 0.17 -0.72 1.44 3.38 -0.51 0.19 115.31 119.27 3l8r h LEU 15 Ca 0.22 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3l8r h LEU 15 Cb 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3l8r h LEU 15 CO -0.45 0.27 -0.56 0.78 0.09 0.00 0.00 178.44 178.57 3l8r h ASN 16 N 0.06 0.27 0.78 -0.43 2.35 -1.22 -1.61 115.58 115.78 3l8r h ASN 16 Ca 0.04 -0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.42 3l8r h ASN 16 Cb 0.15 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3l8r h ASN 16 CO -0.00 0.77 -1.06 0.77 -1.65 0.00 0.00 177.43 176.26 3l8r h SER 17 N 0.18 0.21 -0.37 5.81 4.64 -0.66 -1.65 113.55 121.71 3l8r h SER 17 Ca 0.00 -0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3l8r h SER 17 Cb 1.04 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 3l8r h SER 17 CO 0.09 1.13 0.11 1.23 -0.87 0.00 0.00 176.83 178.52 3l8r h GLY 18 N 2.24 0.46 0.98 -0.77 0.00 -0.52 0.55 103.07 106.01 3l8r h GLY 18 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3l8r h GLY 18 CO 0.16 0.01 0.28 -0.57 0.00 0.00 0.00 176.54 176.42 3l8r h ASN 19 N 0.26 0.62 -0.29 0.19 -0.00 -1.25 -1.24 115.58 113.86 3l8r h ASN 19 Ca 0.17 -0.08 -0.07 0.00 -0.00 0.00 0.00 56.30 56.32 3l8r h ASN 19 Cb 0.16 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.31 3l8r h ASN 19 CO -0.19 0.52 -0.02 0.00 -0.00 0.00 0.00 177.43 177.74 3l8r h ALA 20 N 1.12 1.21 -0.76 1.57 0.00 -0.36 -0.87 119.26 121.17 3l8r h ALA 20 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3l8r h ALA 20 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3l8r h ALA 20 CO -0.03 0.52 0.25 -0.09 0.00 0.00 0.00 179.25 179.90 3l8r h ARG 21 N 0.61 1.18 0.00 0.00 2.43 0.63 0.17 114.38 119.39 3l8r h ARG 21 Ca 0.12 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3l8r h ARG 21 Cb 0.42 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3l8r h ARG 21 CO 0.02 0.99 -0.39 0.66 -1.51 0.00 0.00 179.97 179.73 3l8r h SER 22 N 1.13 0.00 0.15 -3.80 4.64 -0.26 -1.97 113.55 113.44 3l8r h SER 22 Ca 0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 3l8r h SER 22 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3l8r h SER 22 CO -0.01 0.39 -0.71 0.40 -0.87 0.00 0.00 176.83 176.03 3l8r h ILE 23 N 0.00 1.35 -0.82 0.95 2.04 -0.49 -0.94 117.51 119.60 3l8r h ILE 23 Ca -0.00 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 3l8r h ILE 23 Cb 0.73 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3l8r h ILE 23 CO 0.05 0.63 0.48 0.58 0.00 0.00 0.00 178.15 179.89 3l8r h VAL 24 N 0.35 1.23 -0.81 1.67 2.07 -0.55 0.17 116.25 120.37 3l8r h VAL 24 Ca -0.03 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3l8r h VAL 24 Cb 1.29 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3l8r h VAL 24 CO 0.13 0.25 0.37 0.45 0.02 0.00 0.00 177.57 178.79 3l8r h HIS 25 N 1.13 1.19 -0.39 1.57 3.86 -1.05 0.22 115.15 121.69 3l8r h HIS 25 Ca 0.29 -0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 3l8r h HIS 25 Cb -0.02 -0.37 -0.09 0.00 1.06 0.00 0.00 27.41 28.00 3l8r h HIS 25 CO -0.00 0.88 -0.27 0.93 0.86 0.00 0.00 177.93 180.33 3l8r h GLU 26 N 1.17 -0.20 -0.99 2.45 5.08 -0.41 0.25 114.58 121.93 3l8r h GLU 26 Ca 0.28 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.76 3l8r h GLU 26 Cb 0.15 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 3l8r h GLU 26 CO -0.03 -0.13 0.63 0.00 -1.00 0.00 0.00 179.01 178.48 3l8r h ALA 27 N 0.93 1.51 -0.33 3.43 0.00 0.45 0.27 119.26 125.52 3l8r h ALA 27 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3l8r h ALA 27 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3l8r h ALA 27 CO -0.51 0.27 -0.03 0.74 0.00 0.00 0.00 179.25 179.72 3l8r h PHE 28 N 1.02 0.55 -0.22 0.00 0.04 0.75 0.20 116.94 119.28 3l8r h PHE 28 Ca 0.47 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 61.03 3l8r h PHE 28 Cb 0.41 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3l8r h PHE 28 CO -0.00 0.56 -0.48 -0.44 -0.60 0.00 0.00 178.31 177.35 3l8r h ASP 29 N 0.50 0.64 0.66 2.17 3.32 0.27 -2.34 116.42 121.64 3l8r h ASP 29 Ca 0.10 -0.31 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 3l8r h ASP 29 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3l8r h ASP 29 CO 0.02 1.01 -0.79 0.00 -1.72 0.00 0.00 179.24 177.76 3l8r h ALA 30 N 1.01 0.68 -0.20 3.45 0.00 -0.57 -1.83 119.26 121.79 3l8r h ALA 30 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.26 3l8r h ALA 30 Cb 1.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3l8r h ALA 30 CO 0.09 0.91 0.09 0.52 0.00 0.00 0.00 179.25 180.86 3l8r h MET 31 N 0.06 0.19 -0.47 0.00 2.86 -0.94 0.30 114.93 116.92 3l8r h MET 31 Ca -0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3l8r h MET 31 Cb 1.38 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 3l8r h MET 31 CO 0.11 0.12 0.23 0.00 1.06 0.00 0.00 176.91 178.43 3l8r h ARG 32 N 0.19 0.66 -0.06 1.72 3.08 -0.82 -0.40 114.38 118.76 3l8r h ARG 32 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3l8r h ARG 32 Cb 0.03 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3l8r h ARG 32 CO -0.07 0.51 0.00 -1.91 -1.07 0.00 0.00 179.97 177.44 3l8r n GLU 33 N -4.39 1.13 -0.59 0.04 4.07 -0.75 -4.86 120.64 115.30 3l8r n GLU 33 Ca 0.04 -0.21 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 3l8r n GLU 33 Cb 0.12 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 3l8r n GLU 33 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3l8r n LYS 34 N -0.35 0.00 -2.68 5.31 4.81 -0.16 -4.95 118.16 120.14 3l8r n LYS 34 Ca 0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.03 3l8r n LYS 34 Cb 0.05 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3l8r n LYS 34 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3l8r n ASN 35 N 0.00 5.04 0.29 3.14 2.85 0.09 -4.85 115.26 121.82 3l8r n ASN 35 Ca 0.00 -2.97 0.19 0.00 -0.11 0.00 0.00 54.58 51.68 3l8r n ASN 35 Cb 0.00 -1.61 0.85 0.00 1.24 0.00 0.00 39.78 40.26 3l8r n ASN 35 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 3l8r h TYR 36 N 6.97 0.00 0.30 1.20 0.05 -1.90 -2.82 116.97 120.78 3l8r h TYR 36 Ca 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 3l8r h TYR 36 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3l8r h TYR 36 CO 1.24 0.02 -0.15 0.82 -1.05 0.00 0.00 178.16 179.04 3l8r h ILE 37 N 0.00 0.64 -0.22 -2.88 1.08 -1.92 -2.33 117.51 111.89 3l8r h ILE 37 Ca -0.00 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3l8r h ILE 37 Cb 0.34 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3l8r h ILE 37 CO 0.00 0.13 0.14 0.25 -0.69 0.00 0.00 178.15 177.98 3l8r h LEU 38 N -0.84 0.25 -0.65 1.44 5.85 -1.88 -1.97 115.31 117.52 3l8r h LEU 38 Ca -0.04 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3l8r h LEU 38 Cb 0.52 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3l8r h LEU 38 CO 0.07 0.18 0.38 0.00 -0.34 0.00 0.00 178.44 178.73 3l8r h ALA 39 N 1.08 0.85 -0.72 1.25 0.00 -1.57 0.63 119.26 120.79 3l8r h ALA 39 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3l8r h ALA 39 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3l8r h ALA 39 CO -0.02 0.10 0.35 1.49 0.00 0.00 0.00 179.25 181.17 3l8r h GLU 40 N 0.73 1.02 -0.24 0.00 4.81 -1.14 0.35 114.58 120.11 3l8r h GLU 40 Ca 0.27 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3l8r h GLU 40 Cb 0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3l8r h GLU 40 CO -0.14 0.80 0.04 1.96 -0.73 0.00 0.00 179.01 180.94 3l8r h GLN 41 N 1.00 0.40 -0.84 1.92 4.20 -0.49 -2.75 115.11 118.55 3l8r h GLN 41 Ca 0.25 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3l8r h GLN 41 Cb 0.10 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3l8r h GLN 41 CO -0.03 0.53 0.42 0.87 -0.67 0.00 0.00 178.83 179.94 3l8r h LYS 42 N 0.21 1.19 -0.39 1.46 6.56 0.43 -0.78 116.57 125.25 3l8r h LYS 42 Ca 0.07 -0.17 0.11 0.00 -1.06 0.00 0.00 60.65 59.61 3l8r h LYS 42 Cb 0.32 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3l8r h LYS 42 CO 0.00 0.91 0.29 -0.07 -2.06 0.00 0.00 179.45 178.52 3l8r h LEU 43 N 1.18 0.00 0.14 2.94 3.38 -0.84 0.49 115.31 122.60 3l8r h LEU 43 Ca 0.29 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.98 3l8r h LEU 43 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3l8r h LEU 43 CO -0.04 0.00 -1.28 -0.61 0.09 0.00 0.00 178.44 176.60 3l8r h GLN 44 N 0.00 0.30 -0.37 1.13 4.15 -0.89 -2.77 115.11 116.67 3l8r h GLN 44 Ca 0.18 -0.51 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 3l8r h GLN 44 Cb 0.75 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3l8r h GLN 44 CO -0.00 1.24 0.07 0.93 -1.93 0.00 0.00 178.83 179.14 3l8r h GLU 45 N 0.08 0.61 -0.44 1.69 5.08 -0.69 0.52 114.58 121.43 3l8r h GLU 45 Ca -0.15 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3l8r h GLU 45 Cb 2.00 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 31.10 3l8r h GLU 45 CO 0.21 0.66 -0.02 0.00 -1.00 0.00 0.00 179.01 178.87 3l8r h ALA 46 N 0.92 0.39 -0.48 3.43 0.00 -1.00 0.08 119.26 122.59 3l8r h ALA 46 Ca 0.11 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3l8r h ALA 46 Cb 0.34 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3l8r h ALA 46 CO 0.01 -0.40 0.14 -0.97 0.00 0.00 0.00 179.25 178.02 3l8r h ASN 47 N 0.09 0.09 -0.71 0.00 -0.00 -1.23 0.44 115.58 114.27 3l8r h ASN 47 Ca 0.22 0.07 0.13 0.00 -0.00 0.00 0.00 56.30 56.72 3l8r h ASN 47 Cb 0.32 0.08 -0.09 0.00 -0.00 0.00 0.00 38.32 38.62 3l8r h ASN 47 CO -0.37 0.08 0.25 0.44 -0.00 0.00 0.00 177.43 177.83 3l8r h ASP 48 N 0.29 0.20 -0.08 1.15 3.32 0.95 0.10 116.42 122.35 3l8r h ASP 48 Ca 0.24 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 3l8r h ASP 48 Cb 0.28 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3l8r h ASP 48 CO -0.27 0.08 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.73 3l8r h GLU 49 N 0.39 0.32 -0.64 3.56 4.39 -0.55 -3.28 114.58 118.78 3l8r h GLU 49 Ca 0.39 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.95 3l8r h GLU 49 Cb 0.58 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.20 3l8r h GLU 49 CO -0.41 0.86 0.24 -0.07 -1.16 0.00 0.00 179.01 178.48 3l8r h LEU 50 N -0.15 0.23 -1.26 1.33 3.38 0.33 -0.72 115.31 118.45 3l8r h LEU 50 Ca -0.01 0.08 0.26 0.00 0.09 0.00 0.00 57.88 58.31 3l8r h LEU 50 Cb 0.89 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 3l8r h LEU 50 CO 0.06 0.13 0.65 0.25 0.09 0.00 0.00 178.44 179.62 3l8r h LEU 51 N 0.41 0.51 -0.85 1.67 5.85 -0.86 0.38 115.31 122.43 3l8r h LEU 51 Ca 0.33 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.09 3l8r h LEU 51 Cb 0.42 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3l8r h LEU 51 CO -0.33 0.09 0.17 0.11 -0.34 0.00 0.00 178.44 178.15 3l8r h LYS 52 N 0.45 1.03 -0.13 1.25 1.57 -1.21 0.57 116.57 120.10 3l8r h LYS 52 Ca 0.61 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3l8r h LYS 52 Cb 1.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 3l8r h LYS 52 CO -0.35 0.91 -0.10 0.00 -0.57 0.00 0.00 179.45 179.33 3l8r h ALA 53 N 1.20 0.18 -0.79 3.86 0.00 -0.30 -2.53 119.26 120.88 3l8r h ALA 53 Ca 0.21 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3l8r h ALA 53 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3l8r h ALA 53 CO -0.00 0.02 0.49 0.45 0.00 0.00 0.00 179.25 180.22 3l8r h HIS 54 N -0.08 0.92 -0.46 0.00 3.86 -0.55 -1.31 115.15 117.53 3l8r h HIS 54 Ca 0.02 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3l8r h HIS 54 Cb 0.61 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3l8r h HIS 54 CO 0.08 0.49 0.25 0.37 0.86 0.00 0.00 177.93 179.99 3l8r h GLN 55 N 0.93 0.49 -0.49 2.45 5.75 -0.81 0.46 115.11 123.90 3l8r h GLN 55 Ca 0.33 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.73 3l8r h GLN 55 Cb 0.09 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3l8r h GLN 55 CO -0.14 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 176.36 3l8r h ALA 56 N 1.23 0.66 -0.84 3.38 0.00 -0.99 0.38 119.26 123.07 3l8r h ALA 56 Ca 0.19 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3l8r h ALA 56 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3l8r h ALA 56 CO -0.11 0.47 0.55 0.37 0.00 0.00 0.00 179.25 180.53 3l8r h GLN 57 N 0.73 1.08 -0.50 0.00 4.15 -0.73 -2.38 115.11 117.46 3l8r h GLN 57 Ca 0.14 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3l8r h GLN 57 Cb 0.51 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3l8r h GLN 57 CO 0.02 0.71 0.17 1.15 -1.93 0.00 0.00 178.83 178.96 3l8r h THR 58 N 1.11 1.19 -0.50 2.39 2.02 0.74 -0.99 112.91 118.86 3l8r h THR 58 Ca 0.32 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3l8r h THR 58 Cb -0.09 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3l8r h THR 58 CO -0.08 0.24 -0.11 0.44 0.37 0.00 0.00 175.52 176.38 3l8r h ASP 59 N 0.71 0.97 0.32 4.18 3.32 -0.63 0.59 116.42 125.88 3l8r h ASP 59 Ca 0.17 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3l8r h ASP 59 Cb 0.18 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3l8r h ASP 59 CO -0.01 1.10 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.38 3l8r h LEU 60 N 0.83 -0.37 -0.43 1.55 3.38 -1.06 0.19 115.31 119.39 3l8r h LEU 60 Ca 0.13 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3l8r h LEU 60 Cb 0.67 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 3l8r h LEU 60 CO 0.05 -0.20 0.02 -0.07 0.09 0.00 0.00 178.44 178.32 3l8r h LEU 61 N -0.51 -0.14 -0.70 1.67 4.07 -1.07 0.21 115.31 118.85 3l8r h LEU 61 Ca -0.04 0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3l8r h LEU 61 Cb 0.38 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3l8r h LEU 61 CO 0.07 -0.04 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.76 3l8r h GLN 62 N 0.13 0.97 -0.19 1.13 5.75 -0.74 0.27 115.11 122.44 3l8r h GLN 62 Ca 0.21 -0.31 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3l8r h GLN 62 Cb 0.30 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3l8r h GLN 62 CO -0.34 0.98 -0.01 0.93 -2.65 0.00 0.00 178.83 177.74 3l8r h GLU 63 N 0.89 0.05 -0.74 1.69 4.39 -0.27 -2.13 114.58 118.46 3l8r h GLU 63 Ca 0.16 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.87 3l8r h GLU 63 Cb 0.56 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3l8r h GLU 63 CO 0.03 0.03 0.48 -0.92 -1.16 0.00 0.00 179.01 177.47 3l8r h TYR 64 N 0.05 0.90 0.00 4.33 5.03 0.42 -2.64 116.97 125.07 3l8r h TYR 64 Ca 0.09 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 3l8r h TYR 64 Cb 0.12 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.09 3l8r h TYR 64 CO -0.18 0.54 -0.16 0.00 -1.32 0.00 0.00 178.16 177.05 3l8r h ALA 65 N 1.29 1.61 -0.08 1.82 0.00 -0.22 -1.99 119.26 121.69 3l8r h ALA 65 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3l8r h ALA 65 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3l8r h ALA 65 CO -0.08 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3l8r n SER 66 N -4.16 0.63 0.00 0.00 3.41 -0.82 -4.88 113.62 107.80 3l8r n SER 66 Ca -0.02 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 3l8r n SER 66 Cb 0.23 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3l8r n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3l8r n GLY 67 N 0.84 0.20 3.73 5.00 0.00 -0.75 -5.07 105.19 109.15 3l8r n GLY 67 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3l8r n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3l8r s THR 68 N -2.00 2.82 0.26 2.61 2.01 -1.09 -5.00 115.64 115.25 3l8r s THR 68 Ca 0.00 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 3l8r s THR 68 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 3l8r s THR 68 CO 0.00 0.07 0.89 -1.61 -0.69 0.00 0.00 174.62 173.28 3l8r s GLU 69 N 0.40 4.63 -0.24 4.92 0.41 -1.26 -4.31 118.70 123.26 3l8r s GLU 69 Ca 0.63 1.30 -0.03 0.00 -0.41 0.00 0.00 54.97 56.46 3l8r s GLU 69 Cb -0.41 -3.04 0.11 0.00 -1.78 0.00 0.00 34.13 29.01 3l8r s GLU 69 CO 0.36 0.42 0.25 0.42 -0.49 0.00 0.00 175.26 176.22 3l8r s ILE 70 N -1.38 -0.35 -0.37 -1.63 1.01 -1.26 -4.71 121.20 112.51 3l8r s ILE 70 Ca 0.44 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.56 3l8r s ILE 70 Cb -0.22 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.47 3l8r s ILE 70 CO 0.26 -0.32 0.93 -0.54 0.00 0.00 0.00 174.94 175.28 3l8r s LYS 71 N 2.34 3.84 0.26 2.79 -0.14 -1.26 -5.00 119.74 122.57 3l8r s LYS 71 Ca 0.08 0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 3l8r s LYS 71 Cb -0.15 -3.80 -0.09 0.00 -1.68 0.00 0.00 37.83 32.10 3l8r s LYS 71 CO -0.20 -0.96 0.96 0.96 -0.76 0.00 0.00 175.35 175.35 3l8r s ILE 72 N 3.49 4.02 0.18 2.17 -5.25 -1.26 -5.04 121.20 119.51 3l8r s ILE 72 Ca 0.38 1.96 0.10 0.00 -0.99 0.00 0.00 60.65 62.10 3l8r s ILE 72 Cb -0.12 -4.22 -0.04 0.00 2.95 0.00 0.00 42.46 41.03 3l8r s ILE 72 CO 0.19 0.41 -0.15 -1.61 -1.79 0.00 0.00 174.94 171.99 3l8r s GLU 73 N -1.38 1.86 0.35 0.37 0.41 -1.26 -5.01 118.70 114.03 3l8r s GLU 73 Ca 0.43 -1.34 0.16 0.00 -0.41 0.00 0.00 54.97 53.81 3l8r s GLU 73 Cb -0.25 -2.05 1.15 0.00 -1.78 0.00 0.00 34.13 31.19 3l8r s GLU 73 CO 0.32 0.43 1.63 -0.84 -0.49 0.00 0.00 175.26 176.30 3l8r h ILE 74 N 2.97 0.17 -0.99 -1.63 -2.65 -1.99 0.45 117.51 113.84 3l8r h ILE 74 Ca -0.47 -0.06 0.06 0.00 1.03 0.00 0.00 64.86 65.42 3l8r h ILE 74 Cb 1.20 -0.02 -0.07 0.00 -2.05 0.00 0.00 36.82 35.88 3l8r h ILE 74 CO 0.51 0.03 0.64 -0.29 0.03 0.00 0.00 178.15 179.08 3l8r h ILE 75 N 0.18 1.09 -0.13 0.16 6.09 -1.98 0.17 117.51 123.08 3l8r h ILE 75 Ca 0.76 -0.40 -0.02 0.00 -1.37 0.00 0.00 64.86 63.83 3l8r h ILE 75 Cb 1.84 -0.18 -0.00 0.00 0.47 0.00 0.00 36.82 38.94 3l8r h ILE 75 CO -0.69 0.21 -0.01 -0.03 -3.07 0.00 0.00 178.15 174.56 3l8r h MET 76 N 1.17 0.24 -0.99 2.19 4.05 -0.48 0.19 114.93 121.31 3l8r h MET 76 Ca 0.43 -0.08 0.19 0.00 -0.28 0.00 0.00 59.70 59.96 3l8r h MET 76 Cb 0.16 -0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 30.84 3l8r h MET 76 CO -0.17 0.50 0.61 0.28 0.23 0.00 0.00 176.91 178.37 3l8r h VAL 77 N -0.04 0.70 -0.03 -5.77 2.07 -0.70 0.19 116.25 112.67 3l8r h VAL 77 Ca 0.04 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3l8r h VAL 77 Cb 0.40 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3l8r h VAL 77 CO 0.01 0.13 -0.33 -0.74 0.02 0.00 0.00 177.57 176.65 3l8r h HIS 78 N 0.69 0.39 -0.19 1.57 6.17 -0.29 0.55 115.15 124.04 3l8r h HIS 78 Ca 0.56 -0.19 0.04 0.00 0.71 0.00 0.00 60.37 61.48 3l8r h HIS 78 Cb 0.97 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.81 3l8r h HIS 78 CO -0.00 0.97 -0.06 0.00 0.71 0.00 0.00 177.93 179.54 3l8r h ALA 79 N 0.34 0.11 -0.70 5.26 0.00 -0.46 -0.21 119.26 123.60 3l8r h ALA 79 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3l8r h ALA 79 Cb 1.04 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3l8r h ALA 79 CO 0.07 -0.49 0.46 1.96 0.00 0.00 0.00 179.25 181.25 3l8r h GLN 80 N -0.03 0.66 -0.08 0.00 4.20 -0.55 0.15 115.11 119.47 3l8r h GLN 80 Ca 0.10 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 3l8r h GLN 80 Cb 0.17 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3l8r h GLN 80 CO -0.21 0.44 -0.61 -0.44 -0.67 0.00 0.00 178.83 177.33 3l8r h ASP 81 N 0.68 0.31 -0.16 1.46 3.32 -0.00 -0.39 116.42 121.64 3l8r h ASP 81 Ca 0.31 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3l8r h ASP 81 Cb 0.33 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3l8r h ASP 81 CO -0.10 0.85 -0.19 -0.74 -1.72 0.00 0.00 179.24 177.33 3l8r h HIS 82 N 0.20 0.51 0.13 4.55 2.76 0.10 -0.63 115.15 122.77 3l8r h HIS 82 Ca -0.01 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 3l8r h HIS 82 Cb 1.12 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 3l8r h HIS 82 CO 0.02 0.82 -0.23 1.25 -1.30 0.00 0.00 177.93 178.49 3l8r h LEU 83 N 0.05 -0.64 -0.42 0.26 5.85 -0.58 -1.08 115.31 118.75 3l8r h LEU 83 Ca 0.02 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 3l8r h LEU 83 Cb 0.74 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3l8r h LEU 83 CO 0.05 -0.32 -0.79 0.24 -0.34 0.00 0.00 178.44 177.28 3l8r h MET 84 N -0.43 0.12 0.00 1.25 2.86 -1.04 -0.39 114.93 117.29 3l8r h MET 84 Ca 0.02 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 3l8r h MET 84 Cb 0.45 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3l8r h MET 84 CO -0.12 0.85 -0.66 1.79 1.06 0.00 0.00 176.91 179.83 3l8r h THR 85 N 0.07 1.45 -0.25 2.22 1.35 -1.11 -1.91 112.91 114.73 3l8r h THR 85 Ca -0.02 -2.29 -0.19 0.00 -0.55 0.00 0.00 66.41 63.36 3l8r h THR 85 Cb 1.38 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3l8r h THR 85 CO 0.11 0.65 -0.57 0.74 -0.25 0.00 0.00 175.52 176.20 3l8r h THR 86 N 0.00 1.28 0.07 6.82 2.02 -0.75 0.33 112.91 122.68 3l8r h THR 86 Ca -0.01 -1.76 0.02 0.00 0.77 0.00 0.00 66.41 65.44 3l8r h THR 86 Cb 1.19 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 3l8r h THR 86 CO 0.09 0.57 -0.24 -0.03 0.37 0.00 0.00 175.52 176.27 3l8r h MET 87 N 0.58 -0.40 -0.85 6.66 -1.53 -1.05 0.26 114.93 118.61 3l8r h MET 87 Ca -0.00 0.03 0.13 0.00 -3.44 0.00 0.00 59.70 56.42 3l8r h MET 87 Cb 1.18 0.09 -0.09 0.00 -0.55 0.00 0.00 31.60 32.23 3l8r h MET 87 CO 0.12 -0.27 0.45 1.15 0.14 0.00 0.00 176.91 178.51 3l8r h THR 88 N -0.42 0.77 -0.48 -0.77 2.02 -1.12 -0.80 112.91 112.12 3l8r h THR 88 Ca 0.04 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3l8r h THR 88 Cb 0.46 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3l8r h THR 88 CO -0.17 0.12 -0.06 0.25 0.37 0.00 0.00 175.52 176.03 3l8r h LEU 89 N 0.67 0.88 -0.60 2.58 5.85 0.28 -0.82 115.31 124.15 3l8r h LEU 89 Ca 0.45 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3l8r h LEU 89 Cb 0.59 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3l8r h LEU 89 CO -0.33 1.01 0.32 -0.09 -0.34 0.00 0.00 178.44 179.01 3l8r h ARG 90 N 0.74 0.59 -0.15 1.25 2.43 -0.16 -2.85 114.38 116.23 3l8r h ARG 90 Ca 0.13 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3l8r h ARG 90 Cb 0.60 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3l8r h ARG 90 CO 0.04 0.39 -0.14 0.93 -1.51 0.00 0.00 179.97 179.67 3l8r h GLU 91 N 0.60 -0.15 -6.31 0.20 5.08 -0.70 -1.20 114.58 112.10 3l8r h GLU 91 Ca 0.27 0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 58.08 3l8r h GLU 91 Cb 0.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3l8r h GLU 91 CO -0.17 -0.10 0.55 0.14 -1.00 0.00 0.00 179.01 178.42 3l8r s VAL 92 N -6.15 4.69 0.00 3.13 -7.23 -0.35 -2.62 120.40 111.86 3l8r s VAL 92 Ca -0.14 1.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.98 3l8r s VAL 92 Cb 0.11 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 32.79 3l8r s VAL 92 CO 0.68 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 175.51 3l8r n ALA 93 N 4.77 0.00 -0.16 1.32 0.00 -1.24 -4.71 120.51 120.48 3l8r n ALA 93 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 3l8r n ALA 93 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 3l8r n ALA 93 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3l8r h ILE 94 N 0.00 1.02 -0.26 0.00 2.04 -0.96 0.26 117.51 119.61 3l8r h ILE 94 Ca 0.00 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 3l8r h ILE 94 Cb 0.00 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3l8r h ILE 94 CO 0.00 0.10 -0.44 -0.33 0.00 0.00 0.00 178.15 177.48 3l8r h GLU 95 N 0.55 0.65 -0.01 2.37 4.39 -1.78 -2.72 114.58 118.03 3l8r h GLU 95 Ca 0.20 -0.35 -0.18 0.00 0.34 0.00 0.00 59.36 59.37 3l8r h GLU 95 Cb 0.05 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3l8r h GLU 95 CO -0.11 0.96 -0.80 0.52 -1.16 0.00 0.00 179.01 178.43 3l8r h MET 96 N 0.53 0.13 0.10 2.33 2.86 -1.72 -1.07 114.93 118.08 3l8r h MET 96 Ca 0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3l8r h MET 96 Cb 0.97 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3l8r h MET 96 CO 0.09 0.86 -0.07 1.25 1.06 0.00 0.00 176.91 180.10 3l8r h LEU 97 N 0.08 -0.18 -0.53 1.22 5.85 -0.49 0.17 115.31 121.42 3l8r h LEU 97 Ca -0.03 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3l8r h LEU 97 Cb 1.39 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.38 3l8r h LEU 97 CO 0.12 -0.11 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.76 3l8r h GLU 98 N -0.17 -0.13 -0.40 1.25 4.57 -0.99 -1.04 114.58 117.67 3l8r h GLU 98 Ca -0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3l8r h GLU 98 Cb 0.15 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3l8r h GLU 98 CO -0.00 -0.09 0.18 1.25 -1.18 0.00 0.00 179.01 179.17 3l8r h LEU 99 N -0.13 0.50 -1.03 1.64 6.46 -0.97 -2.42 115.31 119.35 3l8r h LEU 99 Ca 0.24 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 3l8r h LEU 99 Cb 0.51 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 3l8r h LEU 99 CO -0.62 0.45 0.63 1.88 -0.62 0.00 0.00 178.44 180.16 3l8r h TYR 100 N 0.56 1.22 0.11 1.25 0.05 0.65 -3.01 116.97 117.81 3l8r h TYR 100 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3l8r h TYR 100 Cb 0.09 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.42 3l8r h TYR 100 CO 0.00 0.78 -0.05 0.87 -1.05 0.00 0.00 178.16 178.71 3l8r h LYS 101 N 1.31 -0.15 0.00 4.88 1.57 -0.96 -3.51 116.57 119.71 3l8r h LYS 101 Ca 0.35 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3l8r h LYS 101 Cb -0.13 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3l8r h LYS 101 CO -0.07 0.14 0.00 1.63 -0.57 0.00 0.00 179.45 180.58