#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puk s ASN 8 N 0.00 6.95 0.18 6.41 -0.87 -1.26 -4.64 114.94 121.71 2puk s ASN 8 Ca 0.00 -2.70 0.09 0.00 -1.57 0.00 0.00 52.86 48.68 2puk s ASN 8 Cb 0.00 -2.45 -0.01 0.00 -0.02 0.00 0.00 41.25 38.77 2puk s ASN 8 CO 0.00 -0.91 1.39 0.50 -2.57 0.00 0.00 177.10 175.51 2puk h LYS 9 N 7.55 0.00 -0.69 -0.60 1.63 -2.04 -3.36 116.57 119.06 2puk h LYS 9 Ca 0.32 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.24 2puk h LYS 9 Cb 0.90 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.40 2puk h LYS 9 CO 1.29 0.83 -0.33 1.15 -3.45 0.00 0.00 179.45 178.93 2puk h THR 10 N 0.00 0.14 -0.67 1.00 2.02 -1.98 -1.77 112.91 111.66 2puk h THR 10 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2puk h THR 10 Cb 1.54 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2puk h THR 10 CO 0.11 0.00 0.42 0.25 0.37 0.00 0.00 175.52 176.67 2puk h LEU 11 N -0.11 0.79 -0.77 2.58 5.85 -1.92 -1.25 115.31 120.47 2puk h LEU 11 Ca 0.27 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2puk h LEU 11 Cb 0.56 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2puk h LEU 11 CO -0.76 0.60 0.50 0.00 -0.34 0.00 0.00 178.44 178.44 2puk h ALA 12 N 1.22 1.00 -0.43 1.25 0.00 -1.53 0.12 119.26 120.89 2puk h ALA 12 Ca 0.24 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2puk h ALA 12 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2puk h ALA 12 CO -0.05 0.33 -0.29 0.00 0.00 0.00 0.00 179.25 179.25 2puk h ALA 13 N 1.31 0.61 -0.33 0.00 0.00 -0.93 -2.20 119.26 117.73 2puk h ALA 13 Ca 0.30 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2puk h ALA 13 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2puk h ALA 13 CO -0.09 0.65 -0.30 1.98 0.00 0.00 0.00 179.25 181.49 2puk h MET 14 N 0.79 0.70 -0.49 0.00 -1.53 -1.00 -1.60 114.93 111.79 2puk h MET 14 Ca 0.09 -0.31 0.03 0.00 -3.44 0.00 0.00 59.70 56.07 2puk h MET 14 Cb 0.87 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.87 2puk h MET 14 CO 0.08 0.91 0.27 -0.22 0.14 0.00 0.00 176.91 178.08 2puk h LYS 15 N 0.60 0.51 0.00 0.39 3.64 -0.61 -1.47 116.57 119.62 2puk h LYS 15 Ca 0.07 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 2puk h LYS 15 Cb 0.80 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2puk h LYS 15 CO 0.07 0.34 -0.66 -0.91 -2.27 0.00 0.00 179.45 176.01 2puk h ASN 16 N 0.53 0.00 -0.08 4.20 4.21 -1.25 -2.38 115.58 120.81 2puk h ASN 16 Ca 0.21 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 2puk h ASN 16 Cb 0.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2puk h ASN 16 CO -0.12 0.66 0.04 0.15 -1.29 0.00 0.00 177.43 176.87 2puk h PHE 17 N 0.00 0.11 -0.09 1.19 3.57 -1.06 0.13 116.94 120.79 2puk h PHE 17 Ca -0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2puk h PHE 17 Cb 1.33 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 2puk h PHE 17 CO 0.00 0.19 -0.12 0.00 -2.23 0.00 0.00 178.31 176.15 2puk h ALA 18 N 0.91 -0.06 -0.44 2.41 0.00 -1.20 0.54 119.26 121.42 2puk h ALA 18 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2puk h ALA 18 Cb 0.12 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2puk h ALA 18 CO -0.00 -0.58 0.12 0.93 0.00 0.00 0.00 179.25 179.71 2puk h GLU 19 N -0.16 0.70 0.30 0.00 5.08 -1.40 -1.49 114.58 117.62 2puk h GLU 19 Ca 0.08 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2puk h GLU 19 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2puk h GLU 19 CO -0.19 0.69 -0.14 0.37 -1.00 0.00 0.00 179.01 178.74 2puk h GLN 20 N 0.58 -0.39 -0.75 2.33 -0.00 -0.54 -2.75 115.11 113.59 2puk h GLN 20 Ca 0.14 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.82 2puk h GLN 20 Cb 0.30 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.83 2puk h GLN 20 CO -0.00 -0.15 0.50 -0.92 0.00 0.00 0.00 178.83 178.26 2puk h TYR 21 N -0.57 0.95 -0.82 3.99 3.20 0.10 -1.87 116.97 121.94 2puk h TYR 21 Ca -0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2puk h TYR 21 Cb 0.42 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2puk h TYR 21 CO -0.01 0.60 0.42 0.00 -1.64 0.00 0.00 178.16 177.53 2puk h ALA 22 N 1.53 1.06 -0.65 1.82 0.00 -1.27 -2.86 119.26 118.89 2puk h ALA 22 Ca 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2puk h ALA 22 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 2puk h ALA 22 CO -0.06 0.60 0.10 0.87 0.00 0.00 0.00 179.25 180.76 2puk h LYS 23 N 1.16 1.06 0.00 0.00 1.57 -1.03 -1.98 116.57 117.35 2puk h LYS 23 Ca 0.29 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2puk h LYS 23 Cb 0.08 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2puk h LYS 23 CO -0.04 0.98 -0.39 0.07 -0.57 0.00 0.00 179.45 179.50 2puk h ARG 24 N 1.00 0.00 0.00 3.15 0.11 -1.43 -3.29 114.38 113.92 2puk h ARG 24 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2puk h ARG 24 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2puk h ARG 24 CO 0.01 0.00 -1.20 0.25 0.10 0.00 0.00 179.97 179.13 2puk n THR 25 N -2.62 0.14 -2.71 0.08 -2.24 -1.09 -4.98 114.28 100.86 2puk n THR 25 Ca 0.03 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2puk n THR 25 Cb 0.50 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2puk n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2puk n ASP 26 N -1.99 -4.61 -4.09 3.42 10.43 -1.11 -5.08 116.55 113.52 2puk n ASP 26 Ca 0.01 -0.46 -0.13 0.00 2.57 0.00 0.00 54.79 56.78 2puk n ASP 26 Cb 0.45 -3.63 -0.11 0.00 1.84 0.00 0.00 41.12 39.67 2puk n ASP 26 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2puk s THR 27 N -3.26 0.58 -0.02 -3.53 -4.23 -0.76 -4.48 115.64 99.95 2puk s THR 27 Ca 0.26 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2puk s THR 27 Cb -0.03 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 2puk s THR 27 CO 0.49 -0.50 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 2puk s TYR 28 N -1.91 1.90 0.87 3.99 1.51 0.73 -4.46 117.35 119.98 2puk s TYR 28 Ca -0.05 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.49 2puk s TYR 28 Cb -0.06 -1.23 0.05 0.00 -0.11 0.00 0.00 41.96 40.61 2puk s TYR 28 CO -0.01 -0.06 0.77 1.19 -1.11 0.00 0.00 175.55 176.33 2puk n PHE 29 N 2.64 -0.22 -1.73 2.71 0.99 -0.93 -2.39 117.46 118.54 2puk n PHE 29 Ca -0.16 0.33 -0.39 0.00 -0.00 0.00 0.00 57.45 57.23 2puk n PHE 29 Cb 0.53 -1.93 0.03 0.00 -1.00 0.00 0.00 39.48 37.11 2puk n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2puk h SER 31 N 1.68 0.00 -3.12 0.00 4.64 -1.21 -3.22 113.55 112.31 2puk h SER 31 Ca -0.50 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.08 2puk h SER 31 Cb 1.30 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.16 2puk h SER 31 CO 0.58 0.09 0.03 -0.62 -0.87 0.00 0.00 176.83 176.04 2puk s ASP 32 N -6.25 6.33 0.44 4.97 -1.08 -1.26 -4.88 116.67 114.94 2puk s ASP 32 Ca -0.04 -1.85 0.30 0.00 -0.52 0.00 0.00 52.55 50.45 2puk s ASP 32 Cb 0.14 -2.26 1.39 0.00 -1.46 0.00 0.00 42.92 40.74 2puk s ASP 32 CO 0.59 -0.91 1.91 -0.07 0.52 0.00 0.00 175.17 177.21 2puk h LEU 33 N 9.17 0.00 -1.40 -1.34 3.38 -1.95 -1.87 115.31 121.30 2puk h LEU 33 Ca -0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2puk h LEU 33 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2puk h LEU 33 CO 1.01 0.00 -0.26 0.77 0.09 0.00 0.00 178.44 180.05 2puk h SER 34 N 0.00 0.00 0.38 -0.43 4.64 -1.92 0.88 113.55 117.10 2puk h SER 34 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2puk h SER 34 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2puk h SER 34 CO 0.00 0.26 -0.18 0.58 -0.87 0.00 0.00 176.83 176.61 2puk h VAL 35 N 0.00 0.58 -0.59 0.95 2.07 -1.72 -2.92 116.25 114.61 2puk h VAL 35 Ca -0.00 -0.48 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2puk h VAL 35 Cb 0.61 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 2puk h VAL 35 CO 0.03 0.08 0.14 0.74 0.02 0.00 0.00 177.57 178.58 2puk h THR 36 N -0.81 0.66 -0.95 2.57 2.02 -1.51 -1.78 112.91 113.10 2puk h THR 36 Ca -0.05 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.15 2puk h THR 36 Cb 0.53 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 2puk h THR 36 CO 0.09 0.05 0.58 0.00 0.37 0.00 0.00 175.52 176.61 2puk h ALA 37 N 1.46 1.42 -0.36 6.16 0.00 -0.86 -2.47 119.26 124.62 2puk h ALA 37 Ca 0.31 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2puk h ALA 37 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2puk h ALA 37 CO -0.39 0.18 -0.34 0.28 0.00 0.00 0.00 179.25 178.99 2puk h VAL 38 N 0.93 1.28 -0.09 0.00 2.07 -1.13 -1.73 116.25 117.58 2puk h VAL 38 Ca 0.47 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2puk h VAL 38 Cb 0.46 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2puk h VAL 38 CO -0.26 0.50 0.03 0.58 0.02 0.00 0.00 177.57 178.43 2puk h VAL 39 N 0.65 1.17 -0.78 2.57 2.07 -1.23 0.21 116.25 120.92 2puk h VAL 39 Ca 0.06 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2puk h VAL 39 Cb 0.92 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2puk h VAL 39 CO 0.08 0.15 0.43 0.40 0.02 0.00 0.00 177.57 178.65 2puk h ILE 40 N -0.04 1.23 -0.55 4.57 2.04 -1.45 0.35 117.51 123.66 2puk h ILE 40 Ca 0.03 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2puk h ILE 40 Cb 0.22 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2puk h ILE 40 CO -0.00 0.26 0.18 -0.08 0.00 0.00 0.00 178.15 178.51 2puk h GLU 41 N 1.10 0.85 -0.53 2.37 4.22 -1.12 -1.62 114.58 119.85 2puk h GLU 41 Ca 0.28 -0.18 -0.06 0.00 0.08 0.00 0.00 59.36 59.48 2puk h GLU 41 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2puk h GLU 41 CO -0.04 0.77 0.11 0.78 -2.18 0.00 0.00 179.01 178.45 2puk h GLY 42 N 0.77 0.93 1.03 1.92 0.00 0.69 -1.81 103.07 106.59 2puk h GLY 42 Ca 0.18 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2puk h GLY 42 CO -0.01 0.56 0.49 1.41 0.00 0.00 0.00 176.54 178.99 2puk h LEU 43 N 0.76 1.12 -0.66 3.11 3.38 -0.30 -2.73 115.31 119.98 2puk h LEU 43 Ca 0.16 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2puk h LEU 43 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2puk h LEU 43 CO 0.01 0.90 0.17 0.00 0.09 0.00 0.00 178.44 179.60 2puk h ALA 44 N 1.27 0.87 -0.28 1.53 0.00 -1.00 -2.17 119.26 119.47 2puk h ALA 44 Ca 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2puk h ALA 44 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2puk h ALA 44 CO -0.05 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2puk h ARG 45 N 0.98 0.50 0.37 0.00 3.08 -1.15 -2.22 114.38 115.93 2puk h ARG 45 Ca 0.21 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2puk h ARG 45 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2puk h ARG 45 CO 0.00 0.65 -0.30 0.45 -1.07 0.00 0.00 179.97 179.70 2puk h HIS 46 N 0.29 -0.81 -0.80 3.04 3.86 -1.45 -1.62 115.15 117.66 2puk h HIS 46 Ca 0.08 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.44 2puk h HIS 46 Cb 0.43 0.31 -0.15 0.00 1.06 0.00 0.00 27.41 29.06 2puk h HIS 46 CO 0.04 -0.44 -0.29 -0.22 0.86 0.00 0.00 177.93 177.87 2puk h LYS 47 N -0.68 -0.05 0.18 2.45 1.63 -0.65 0.75 116.57 120.21 2puk h LYS 47 Ca -0.03 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2puk h LYS 47 Cb 0.59 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 2puk h LYS 47 CO -0.02 -0.03 -0.30 0.93 -3.45 0.00 0.00 179.45 176.57 2puk h GLU 48 N -0.05 -0.54 0.00 1.90 5.08 -1.03 0.31 114.58 120.25 2puk h GLU 48 Ca 0.34 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2puk h GLU 48 Cb 0.59 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2puk h GLU 48 CO -0.84 -0.36 -0.44 1.05 -1.00 0.00 0.00 179.01 177.42 2puk h GLU 49 N -0.56 0.00 0.00 2.33 4.11 -0.56 -3.38 114.58 116.51 2puk h GLU 49 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2puk h GLU 49 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2puk h GLU 49 CO -0.14 0.00 -1.00 1.28 0.07 0.00 0.00 179.01 179.23 2puk n LEU 50 N -2.25 0.11 0.00 3.06 4.32 0.26 -5.05 117.00 117.45 2puk n LEU 50 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2puk n LEU 50 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2puk n LEU 50 CO 0.35 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 2puk n GLY 51 N 3.01 2.51 3.11 -0.72 0.00 0.11 -4.99 105.19 108.22 2puk n GLY 51 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2puk n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2puk s SER 52 N -1.59 0.84 -1.40 1.61 0.01 -1.25 -4.90 113.70 107.03 2puk s SER 52 Ca 0.00 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.27 2puk s SER 52 Cb 0.00 0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.42 2puk s SER 52 CO 0.00 -0.43 2.12 -0.81 0.41 0.00 0.00 173.24 174.53 2puk n PRO 53 N 0.44 3.14 -1.81 12.44 -0.04 -1.26 -1.70 135.00 146.21 2puk n PRO 53 Ca -0.16 -2.92 -0.42 0.00 -0.04 0.00 0.00 63.50 59.97 2puk n PRO 53 Cb 0.59 -3.15 -0.02 0.00 -0.04 0.00 0.00 33.50 30.88 2puk n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2puk s LEU 54 N 1.32 4.36 0.16 1.53 0.20 -1.26 -0.47 118.68 124.52 2puk s LEU 54 Ca 0.45 2.86 -0.34 0.00 0.69 0.00 0.00 54.13 57.79 2puk s LEU 54 Cb 0.13 -3.62 -0.16 0.00 -0.43 0.00 0.00 46.19 42.11 2puk s LEU 54 CO -0.06 -0.89 1.23 0.00 -0.29 0.00 0.00 176.35 176.34 2puk n PRO 56 N 1.98 0.05 -1.45 0.00 -0.04 -1.26 -4.24 135.00 130.04 2puk n PRO 56 Ca 0.16 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 2puk n PRO 56 Cb 0.24 -1.53 0.07 0.00 -0.04 0.00 0.00 33.50 32.24 2puk n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2puk s ARG 58 N -3.81 1.58 -0.00 0.00 0.52 -1.26 -4.92 118.95 111.06 2puk s ARG 58 Ca 0.63 -1.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.26 2puk s ARG 58 Cb 0.49 0.37 -0.02 0.00 0.52 0.00 0.00 34.95 36.31 2puk s ARG 58 CO -0.03 -0.61 -0.25 -1.58 0.02 0.00 0.00 175.30 172.86 2puk s HIS 59 N -3.68 2.37 -0.03 -0.53 5.65 -1.26 -5.09 115.29 112.72 2puk s HIS 59 Ca 0.33 -0.40 0.07 0.00 0.25 0.00 0.00 55.06 55.31 2puk s HIS 59 Cb 0.02 -1.48 -0.02 0.00 -1.18 0.00 0.00 32.58 29.93 2puk s HIS 59 CO 0.17 0.04 -0.24 0.71 -0.65 0.00 0.00 174.74 174.76 2puk s TYR 60 N -0.69 2.19 0.14 3.88 1.51 -1.26 -5.01 117.35 118.11 2puk s TYR 60 Ca 0.11 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2puk s TYR 60 Cb -0.10 -1.42 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 2puk s TYR 60 CO 0.00 -0.08 1.34 0.93 -1.11 0.00 0.00 175.55 176.63 2puk h GLU 61 N 5.67 0.40 -2.64 -0.62 4.39 -2.06 -3.41 114.58 116.31 2puk h GLU 61 Ca -0.39 -0.41 -0.55 0.00 0.34 0.00 0.00 59.36 58.35 2puk h GLU 61 Cb 1.14 0.11 -0.39 0.00 -0.10 0.00 0.00 28.75 29.51 2puk h GLU 61 CO 0.47 1.07 -0.82 0.34 -1.16 0.00 0.00 179.01 178.92 2puk s ASP 62 N -7.05 3.11 0.11 1.42 -1.08 -1.26 -5.03 116.67 106.89 2puk s ASP 62 Ca -0.06 -1.80 -0.23 0.00 -0.52 0.00 0.00 52.55 49.94 2puk s ASP 62 Cb 0.09 -0.33 -0.10 0.00 -1.46 0.00 0.00 42.92 41.12 2puk s ASP 62 CO 0.86 -0.36 1.70 0.11 0.52 0.00 0.00 175.17 178.00 2puk h LYS 63 N 7.57 -0.15 -0.99 4.34 1.57 -2.00 -2.14 116.57 124.77 2puk h LYS 63 Ca -0.04 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 2puk h LYS 63 Cb 0.99 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.23 2puk h LYS 63 CO 0.33 -0.10 0.60 0.93 -0.57 0.00 0.00 179.45 180.63 2puk h GLU 64 N -0.16 0.76 -0.08 3.15 5.08 -1.96 -1.11 114.58 120.27 2puk h GLU 64 Ca 0.03 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 2puk h GLU 64 Cb 0.20 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2puk h GLU 64 CO -0.09 0.51 -0.89 0.00 -1.00 0.00 0.00 179.01 177.54 2puk h ALA 65 N 1.62 0.27 -0.61 3.43 0.00 -1.96 -3.24 119.26 118.77 2puk h ALA 65 Ca 0.55 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2puk h ALA 65 Cb 0.81 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2puk h ALA 65 CO -0.36 0.70 0.33 0.93 0.00 0.00 0.00 179.25 180.85 2puk h GLU 66 N 0.45 0.60 -0.74 0.00 4.39 -0.57 -0.96 114.58 117.75 2puk h GLU 66 Ca -0.08 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.73 2puk h GLU 66 Cb 1.53 -0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.94 2puk h GLU 66 CO 0.18 0.40 0.26 0.28 -1.16 0.00 0.00 179.01 178.97 2puk h VAL 67 N 0.62 0.61 0.00 3.13 2.07 -1.30 -0.63 116.25 120.76 2puk h VAL 67 Ca 0.27 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2puk h VAL 67 Cb 0.16 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2puk h VAL 67 CO -0.17 0.07 -0.43 0.29 0.02 0.00 0.00 177.57 177.35 2puk n LYS 68 N -5.05 0.28 0.10 1.57 5.02 -0.50 -2.70 118.16 116.88 2puk n LYS 68 Ca 0.14 0.13 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 2puk n LYS 68 Cb 0.43 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 2puk n LYS 68 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2puk h ASN 69 N 0.00 0.00 -0.07 4.39 -0.73 -0.82 -3.48 115.58 114.88 2puk h ASN 69 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2puk h ASN 69 Cb 0.74 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 2puk h ASN 69 CO 0.00 0.45 -0.03 0.35 -0.37 0.00 0.00 177.43 177.83 2puk n THR 70 N -3.02 0.00 0.02 -3.57 -2.24 -0.28 -4.89 114.28 100.30 2puk n THR 70 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 2puk n THR 70 Cb 0.74 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 2puk n THR 70 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2puk h PHE 71 N 0.00 0.00 -0.44 4.78 3.57 -1.88 -3.11 116.94 119.85 2puk h PHE 71 Ca -0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2puk h PHE 71 Cb 0.66 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2puk h PHE 71 CO 0.40 0.20 0.05 0.91 -2.23 0.00 0.00 178.31 177.63 2puk n TRP 72 N -4.99 1.58 -2.58 0.41 7.02 -1.26 -2.09 117.44 115.52 2puk n TRP 72 Ca -0.08 -0.61 -0.43 0.00 -1.02 0.00 0.00 57.50 55.36 2puk n TRP 72 Cb 0.12 -0.43 -0.02 0.00 -2.42 0.00 0.00 31.31 28.55 2puk n TRP 72 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2puk s ASN 73 N -0.57 7.02 -0.01 -0.99 0.01 -1.18 -0.35 114.94 118.87 2puk s ASN 73 Ca 0.40 1.42 -0.30 0.00 -0.71 0.00 0.00 52.86 53.67 2puk s ASN 73 Cb 0.30 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.36 2puk s ASN 73 CO 0.11 -0.74 1.71 0.00 -1.51 0.00 0.00 177.10 176.67 2puk s PRO 75 N 3.79 4.14 0.98 0.00 0.04 -1.26 -4.80 135.00 137.89 2puk s PRO 75 Ca 0.76 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 2puk s PRO 75 Cb -0.36 -3.69 0.12 0.00 0.04 0.00 0.00 34.50 30.60 2puk s PRO 75 CO 0.32 -0.74 0.72 0.00 0.04 0.00 0.00 177.00 177.34 2puk h VAL 77 N -1.89 0.91 -0.99 0.00 2.07 -1.69 0.38 116.25 115.03 2puk h VAL 77 Ca -0.47 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.07 2puk h VAL 77 Cb 1.29 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 2puk h VAL 77 CO 0.39 0.05 0.63 -0.65 0.02 0.00 0.00 177.57 178.01 2puk h PRO 78 N 0.28 0.96 0.35 1.57 0.11 -1.86 0.10 132.00 133.52 2puk h PRO 78 Ca 0.16 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2puk h PRO 78 Cb 0.13 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2puk h PRO 78 CO -0.16 0.64 -0.17 1.98 -0.21 0.00 0.00 178.00 180.08 2puk h MET 79 N 0.99 -0.45 -0.79 1.05 1.85 -1.21 0.19 114.93 116.56 2puk h MET 79 Ca 0.49 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.62 2puk h MET 79 Cb 0.47 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.57 2puk h MET 79 CO -0.25 -0.19 0.52 0.00 -0.40 0.00 0.00 176.91 176.59 2puk h ARG 80 N -0.67 1.01 0.00 0.39 3.08 -0.42 -0.59 114.38 117.19 2puk h ARG 80 Ca -0.05 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.62 2puk h ARG 80 Cb 0.47 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2puk h ARG 80 CO 0.08 0.67 -1.81 0.39 -1.07 0.00 0.00 179.97 178.23 2puk n GLU 81 N -4.42 0.57 0.00 0.04 1.02 0.31 -4.64 120.64 113.52 2puk n GLU 81 Ca 0.09 0.42 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 2puk n GLU 81 Cb 0.05 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 2puk n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2puk n ARG 82 N -4.36 1.52 -1.94 3.49 1.74 0.45 -4.98 116.66 112.57 2puk n ARG 82 Ca -0.41 -1.01 -0.19 0.00 -0.77 0.00 0.00 57.85 55.47 2puk n ARG 82 Cb 0.75 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.90 2puk n ARG 82 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2puk n LYS 83 N 0.24 -1.42 -3.14 5.56 4.81 0.08 -4.94 118.16 119.35 2puk n LYS 83 Ca 0.07 1.05 -0.41 0.00 -0.87 0.00 0.00 58.31 58.15 2puk n LYS 83 Cb 0.33 -5.48 -0.07 0.00 0.02 0.00 0.00 35.03 29.83 2puk n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2puk s GLU 84 N -4.25 3.86 -0.32 1.64 2.02 -1.03 -4.85 118.70 115.76 2puk s GLU 84 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.23 2puk s GLU 84 Cb 0.00 -3.74 0.09 0.00 0.10 0.00 0.00 34.13 30.58 2puk s GLU 84 CO 0.00 -0.58 0.02 0.00 0.02 0.00 0.00 175.26 174.72 2puk h HIS 86 N 7.70 0.00 0.00 0.00 2.76 -1.96 -2.28 115.15 121.38 2puk h HIS 86 Ca -0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2puk h HIS 86 Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2puk h HIS 86 CO 0.52 0.25 0.00 0.00 -1.30 0.00 0.00 177.93 177.40 2puk n MET 88 N -1.49 -1.04 0.02 0.00 0.00 -0.86 -4.90 117.12 108.86 2puk n MET 88 Ca 0.06 0.88 -0.19 0.00 0.00 0.00 0.00 57.70 58.44 2puk n MET 88 Cb 0.25 -5.05 -0.10 0.00 0.00 0.00 0.00 33.22 28.33 2puk n MET 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2puk h LEU 89 N 0.00 0.89 -7.74 4.03 5.85 -1.91 -3.35 115.31 113.09 2puk h LEU 89 Ca -0.31 -0.71 -0.67 0.00 0.84 0.00 0.00 57.88 57.04 2puk h LEU 89 Cb 1.04 -0.27 -0.38 0.00 0.37 0.00 0.00 40.66 41.42 2puk h LEU 89 CO 0.41 1.47 -0.69 -0.36 -0.34 0.00 0.00 178.44 178.94 2puk s PHE 90 N -3.44 3.69 -0.10 1.25 0.40 -1.26 -4.17 117.98 114.33 2puk s PHE 90 Ca -0.10 -2.81 -0.01 0.00 -0.60 0.00 0.00 56.93 53.41 2puk s PHE 90 Cb 0.07 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 2puk s PHE 90 CO 0.91 -0.95 -0.06 -0.51 0.70 0.00 0.00 175.22 175.31 2puk s LEU 91 N 0.98 3.16 0.55 -0.37 1.43 -1.00 -4.32 118.68 119.10 2puk s LEU 91 Ca 0.09 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 2puk s LEU 91 Cb -0.20 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2puk s LEU 91 CO -0.07 0.28 1.30 0.42 0.23 0.00 0.00 176.35 178.52 2puk s THR 92 N -0.33 2.30 0.56 5.49 -4.23 -1.26 -0.19 115.64 117.97 2puk s THR 92 Ca 0.05 0.22 0.30 0.00 -1.18 0.00 0.00 61.69 61.08 2puk s THR 92 Cb -0.12 -3.11 0.44 0.00 1.34 0.00 0.00 72.50 71.05 2puk s THR 92 CO 0.02 -0.01 1.89 1.55 -0.54 0.00 0.00 174.62 177.53 2puk h PRO 93 N 1.41 0.00 -1.08 3.99 0.13 -1.93 -1.24 132.00 133.27 2puk h PRO 93 Ca -0.51 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.27 2puk h PRO 93 Cb 1.29 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.23 2puk h PRO 93 CO 0.57 0.00 0.46 -0.40 -0.23 0.00 0.00 178.00 178.40 2puk n ASP 94 N -4.06 4.24 -4.89 1.44 3.85 -1.26 -4.90 116.55 110.97 2puk n ASP 94 Ca 0.14 -3.09 -0.35 0.00 -0.71 0.00 0.00 54.79 50.78 2puk n ASP 94 Cb 0.85 -0.79 -0.05 0.00 -1.35 0.00 0.00 41.12 39.77 2puk n ASP 94 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2puk s ASN 95 N -0.47 6.43 0.40 -1.12 3.84 -0.47 -5.01 114.94 118.54 2puk s ASN 95 Ca 0.38 0.47 0.10 0.00 0.21 0.00 0.00 52.86 54.02 2puk s ASN 95 Cb 0.31 -2.06 0.85 0.00 -0.55 0.00 0.00 41.25 39.80 2puk s ASN 95 CO 0.05 0.31 1.95 0.44 -2.79 0.00 0.00 177.10 177.06 2puk h ASP 96 N 4.27 0.20 -0.38 -4.21 3.45 -1.90 -2.79 116.42 115.06 2puk h ASP 96 Ca -0.51 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 56.91 2puk h ASP 96 Cb 1.20 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2puk h ASP 96 CO 0.64 0.33 0.00 0.49 -1.57 0.00 0.00 179.24 179.13 2puk n PHE 97 N -4.31 0.49 -3.17 4.55 3.01 -1.26 -4.94 117.46 111.82 2puk n PHE 97 Ca -0.01 -0.24 -0.36 0.00 1.01 0.00 0.00 57.45 57.85 2puk n PHE 97 Cb 0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.65 2puk n PHE 97 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2puk s ALA 98 N -1.51 3.46 0.03 4.37 0.00 -1.05 -0.88 121.76 126.17 2puk s ALA 98 Ca 0.38 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2puk s ALA 98 Cb 0.22 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2puk s ALA 98 CO 0.31 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.85 2puk n GLY 99 N 0.77 1.83 0.00 0.00 0.00 -1.06 -4.38 105.19 102.35 2puk n GLY 99 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2puk n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2puk n ASP 100 N 0.00 0.30 -4.81 1.61 5.75 -1.26 -4.89 116.55 113.25 2puk n ASP 100 Ca 0.00 -0.86 -0.34 0.00 -0.01 0.00 0.00 54.79 53.59 2puk n ASP 100 Cb 0.00 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 2puk n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2puk s ALA 101 N -0.07 2.96 0.00 2.12 0.00 -1.26 -4.96 121.76 120.55 2puk s ALA 101 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2puk s ALA 101 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2puk s ALA 101 CO 0.00 -0.11 0.67 1.04 0.00 0.00 0.00 175.76 177.36 2puk n GLN 102 N -0.76 1.12 -4.47 0.00 6.02 -1.26 -2.18 117.38 115.86 2puk n GLN 102 Ca 0.08 -0.90 -0.23 0.00 -0.01 0.00 0.00 57.00 55.94 2puk n GLN 102 Cb 0.53 -0.84 -0.10 0.00 1.02 0.00 0.00 30.24 30.84 2puk n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2puk s ASP 103 N -0.45 3.21 -0.10 1.08 1.01 -1.26 -4.44 116.67 115.72 2puk s ASP 103 Ca 0.00 -1.15 -0.06 0.00 0.71 0.00 0.00 52.55 52.05 2puk s ASP 103 Cb 0.00 -0.25 0.04 0.00 1.01 0.00 0.00 42.92 43.72 2puk s ASP 103 CO 0.00 -0.21 0.24 -0.51 0.21 0.00 0.00 175.17 174.89 2puk s ILE 104 N -2.79 -0.03 0.36 0.77 2.07 -1.26 -5.02 121.20 115.30 2puk s ILE 104 Ca 0.30 0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 59.36 2puk s ILE 104 Cb 0.01 -0.36 -0.10 0.00 0.13 0.00 0.00 42.46 42.14 2puk s ILE 104 CO 0.13 0.04 1.35 -2.84 -1.91 0.00 0.00 174.94 171.72 2puk s PRO 105 N 0.92 4.22 0.56 3.50 0.02 -1.26 -4.92 135.00 138.04 2puk s PRO 105 Ca -0.07 2.30 0.29 0.00 0.02 0.00 0.00 61.00 63.54 2puk s PRO 105 Cb -0.08 -2.99 1.64 0.00 0.02 0.00 0.00 34.50 33.09 2puk s PRO 105 CO -0.06 -0.33 2.16 1.98 -0.33 0.00 0.00 177.00 180.42 2puk h MET 106 N 3.16 0.00 -0.32 5.54 1.85 -2.01 -2.25 114.93 120.90 2puk h MET 106 Ca -0.50 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.44 2puk h MET 106 Cb 1.23 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 2puk h MET 106 CO 0.65 0.06 -0.42 1.49 -0.40 0.00 0.00 176.91 178.29 2puk h GLU 107 N 0.00 0.80 -0.40 0.39 4.81 -2.00 -2.72 114.58 115.46 2puk h GLU 107 Ca -0.00 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 2puk h GLU 107 Cb 0.18 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2puk h GLU 107 CO 0.01 1.06 -0.19 1.15 -0.73 0.00 0.00 179.01 180.31 2puk h THR 108 N 0.65 1.27 -0.39 0.32 2.02 -1.79 -2.36 112.91 112.62 2puk h THR 108 Ca 0.05 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 2puk h THR 108 Cb 0.98 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2puk h THR 108 CO 0.09 0.43 -0.01 -0.07 0.37 0.00 0.00 175.52 176.34 2puk h LEU 109 N 0.68 0.59 -0.45 2.58 3.38 -1.48 -3.11 115.31 117.51 2puk h LEU 109 Ca 0.10 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2puk h LEU 109 Cb 0.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2puk h LEU 109 CO 0.05 0.66 -0.74 -0.33 0.09 0.00 0.00 178.44 178.18 2puk h GLU 110 N 0.59 0.00 -0.07 1.13 3.07 -1.24 -3.26 114.58 114.79 2puk h GLU 110 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2puk h GLU 110 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2puk h GLU 110 CO 0.01 0.74 0.05 0.93 -1.40 0.00 0.00 179.01 179.34 2puk h GLU 111 N 0.00 0.10 0.00 2.33 5.08 -1.35 -2.94 114.58 117.79 2puk h GLU 111 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2puk h GLU 111 Cb 1.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2puk h GLU 111 CO 0.10 0.09 0.00 1.33 -1.00 0.00 0.00 179.01 179.53 2puk n VAL 112 N -5.02 0.61 -0.09 3.13 0.24 -1.24 -1.00 118.33 114.96 2puk n VAL 112 Ca -0.06 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2puk n VAL 112 Cb 0.04 -0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 31.58 2puk n VAL 112 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2puk h LYS 113 N 0.00 0.68 0.00 7.34 1.57 -1.56 -3.28 116.57 121.32 2puk h LYS 113 Ca 0.00 -0.35 -0.23 0.00 -1.87 0.00 0.00 60.65 58.20 2puk h LYS 113 Cb 0.55 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2puk h LYS 113 CO 0.00 0.96 -1.50 0.00 -0.57 0.00 0.00 179.45 178.34 2puk h ALA 114 N 0.70 0.70 0.00 3.86 0.00 -1.54 -3.52 119.26 119.46 2puk h ALA 114 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2puk h ALA 114 Cb 0.83 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2puk h ALA 114 CO 0.07 1.26 0.00 0.45 0.00 0.00 0.00 179.25 181.03