#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9p s ASN 32 N 0.00 -0.63 0.94 1.61 2.20 -1.26 -5.16 114.94 112.64 2k9p s ASN 32 Ca 0.00 0.59 0.00 0.00 -0.94 0.00 0.00 52.86 52.51 2k9p s ASN 32 Cb 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.79 2k9p s ASN 32 CO 0.00 -0.66 0.00 0.61 -2.94 0.00 0.00 177.10 174.11 2k9p n GLY 33 N 0.72 -0.41 2.64 0.45 0.00 -1.26 -4.59 105.19 102.73 2k9p n GLY 33 Ca -0.19 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 2k9p n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k9p n SER 34 N -3.06 2.71 -0.58 1.61 3.41 -1.26 -4.90 113.62 111.56 2k9p n SER 34 Ca 0.00 -3.17 0.05 0.00 -0.26 0.00 0.00 58.87 55.50 2k9p n SER 34 Cb 0.00 -0.70 0.19 0.00 -0.26 0.00 0.00 64.21 63.44 2k9p n SER 34 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2k9p n THR 35 N 1.64 2.19 -4.07 6.66 5.66 -1.26 -5.04 114.28 120.06 2k9p n THR 35 Ca 0.24 -2.79 -0.26 0.00 -3.05 0.00 0.00 64.05 58.19 2k9p n THR 35 Cb 0.40 -0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 68.87 2k9p n THR 35 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2k9p s ILE 36 N -3.11 4.58 1.29 1.09 1.09 -1.26 -5.13 121.20 119.75 2k9p s ILE 36 Ca 0.38 -1.05 -0.19 0.00 -1.10 0.00 0.00 60.65 58.69 2k9p s ILE 36 Cb 0.35 -3.35 0.32 0.00 -1.06 0.00 0.00 42.46 38.72 2k9p s ILE 36 CO -0.02 -0.12 1.00 -0.89 -0.10 0.00 0.00 174.94 174.81 2k9p s THR 37 N -1.77 1.53 -0.91 2.92 2.01 -1.26 -4.96 115.64 113.20 2k9p s THR 37 Ca 0.31 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.58 2k9p s THR 37 Cb -0.10 -2.18 0.24 0.00 0.01 0.00 0.00 72.50 70.47 2k9p s THR 37 CO 0.24 0.00 1.83 0.49 -0.69 0.00 0.00 174.62 176.49 2k9p n PHE 38 N -5.21 0.27 -0.05 4.92 3.01 -1.26 -3.94 117.46 115.20 2k9p n PHE 38 Ca 0.10 0.08 0.10 0.00 1.01 0.00 0.00 57.45 58.74 2k9p n PHE 38 Cb 0.58 -0.63 0.49 0.00 -0.01 0.00 0.00 39.48 39.91 2k9p n PHE 38 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2k9p h ASP 39 N 0.00 0.37 -0.06 4.37 3.32 -2.00 -1.79 116.42 120.63 2k9p h ASP 39 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2k9p h ASP 39 Cb 0.53 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2k9p h ASP 39 CO 0.00 0.24 -0.15 1.05 -1.72 0.00 0.00 179.24 178.66 2k9p h GLU 40 N 0.42 -0.20 -0.63 3.56 4.11 -1.97 -1.90 114.58 117.97 2k9p h GLU 40 Ca 0.23 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.68 2k9p h GLU 40 Cb 0.38 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2k9p h GLU 40 CO -0.06 -0.14 0.39 -0.07 0.07 0.00 0.00 179.01 179.20 2k9p h LEU 41 N -0.21 0.75 0.42 3.06 3.38 -1.60 0.24 115.31 121.33 2k9p h LEU 41 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k9p h LEU 41 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2k9p h LEU 41 CO -0.18 0.57 -0.38 1.56 0.09 0.00 0.00 178.44 180.10 2k9p h GLN 42 N 0.85 -0.76 -0.87 1.13 1.08 -1.33 -1.26 115.11 113.95 2k9p h GLN 42 Ca 0.23 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.55 2k9p h GLN 42 Cb -0.04 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 2k9p h GLN 42 CO -0.04 -0.51 0.56 0.78 -0.95 0.00 0.00 178.83 178.67 2k9p h GLY 43 N -0.79 1.24 0.39 3.46 0.00 -1.22 -0.84 103.07 105.32 2k9p h GLY 43 Ca -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2k9p h GLY 43 CO -0.03 0.26 -0.33 1.41 0.00 0.00 0.00 176.54 177.85 2k9p h LEU 44 N 0.94 -0.88 -1.13 3.11 3.38 -0.76 -2.06 115.31 117.91 2k9p h LEU 44 Ca 0.38 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.34 2k9p h LEU 44 Cb 0.26 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2k9p h LEU 44 CO -0.15 -0.46 -0.34 1.62 0.09 0.00 0.00 178.44 179.21 2k9p h VAL 45 N -0.70 0.89 0.53 1.22 3.04 -1.14 0.73 116.25 120.81 2k9p h VAL 45 Ca -0.05 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 2k9p h VAL 45 Cb 0.59 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 2k9p h VAL 45 CO -0.01 0.33 -0.35 -1.13 -1.01 0.00 0.00 177.57 175.41 2k9p h ASN 46 N 0.00 -0.88 -0.08 3.17 -1.24 -1.08 -3.42 115.58 112.05 2k9p h ASN 46 Ca -0.00 0.06 -0.19 0.00 0.71 0.00 0.00 56.30 56.87 2k9p h ASN 46 Cb 0.78 0.26 -0.19 0.00 0.73 0.00 0.00 38.32 39.91 2k9p h ASN 46 CO 0.04 -0.53 -0.41 -1.54 -1.29 0.00 0.00 177.43 173.70 2k9p n SER 47 N -5.48 -1.12 0.10 1.15 3.41 -0.78 -4.91 113.62 105.99 2k9p n SER 47 Ca -0.12 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2k9p n SER 47 Cb 0.37 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 2k9p n SER 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2k9p n THR 48 N -1.20 0.30 -0.22 6.66 -1.04 0.03 -4.77 114.28 114.05 2k9p n THR 48 Ca -0.11 0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.92 2k9p n THR 48 Cb 0.86 -0.73 0.03 0.00 -1.82 0.00 0.00 70.33 68.67 2k9p n THR 48 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2k9p h VAL 49 N 0.00 1.24 -0.32 12.58 3.04 -1.25 -2.85 116.25 128.68 2k9p h VAL 49 Ca 0.00 -0.83 -0.05 0.00 -1.01 0.00 0.00 66.70 64.81 2k9p h VAL 49 Cb 0.00 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 2k9p h VAL 49 CO 0.00 0.32 0.01 0.00 -1.01 0.00 0.00 177.57 176.88 2k9p h THR 50 N 0.87 1.19 -0.04 3.17 1.03 -1.80 -2.57 112.91 114.76 2k9p h THR 50 Ca 0.20 -0.74 -0.09 0.00 -0.01 0.00 0.00 66.41 65.76 2k9p h THR 50 Cb 0.29 0.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2k9p h THR 50 CO -0.01 0.25 -0.41 -0.61 -0.01 0.00 0.00 175.52 174.73 2k9p h GLN 51 N 0.48 0.08 -0.14 0.00 4.15 -1.80 -3.18 115.11 114.69 2k9p h GLN 51 Ca 0.10 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2k9p h GLN 51 Cb 0.30 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2k9p h GLN 51 CO 0.01 0.48 0.09 0.00 -1.93 0.00 0.00 178.83 177.48 2k9p h ALA 52 N 1.51 0.17 0.27 3.38 0.00 -1.38 -0.14 119.26 123.08 2k9p h ALA 52 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k9p h ALA 52 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k9p h ALA 52 CO 0.06 -0.33 -0.20 0.82 0.00 0.00 0.00 179.25 179.59 2k9p h ILE 53 N 0.17 0.57 -0.33 0.00 5.03 -1.63 -0.66 117.51 120.66 2k9p h ILE 53 Ca 0.05 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.85 2k9p h ILE 53 Cb -0.00 0.57 -0.06 0.00 -3.03 0.00 0.00 36.82 34.29 2k9p h ILE 53 CO -0.01 0.00 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.33 2k9p h LEU 54 N -0.48 -0.25 -0.12 1.44 3.38 -1.51 -1.08 115.31 116.70 2k9p h LEU 54 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k9p h LEU 54 Cb 0.42 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k9p h LEU 54 CO -0.00 -0.09 0.07 0.15 0.09 0.00 0.00 178.44 178.67 2k9p h PHE 55 N 0.03 0.15 -0.92 1.13 3.57 -0.93 -2.21 116.94 117.77 2k9p h PHE 55 Ca 0.16 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2k9p h PHE 55 Cb 0.24 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2k9p h PHE 55 CO -0.28 0.12 0.58 0.78 -2.23 0.00 0.00 178.31 177.28 2k9p h GLY 56 N 0.14 1.38 0.64 2.40 0.00 -0.70 0.14 103.07 107.07 2k9p h GLY 56 Ca 0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2k9p h GLY 56 CO -0.01 0.31 -0.31 -2.08 0.00 0.00 0.00 176.54 174.45 2k9p h VAL 57 N 1.07 0.00 -0.15 4.60 2.07 -1.05 -2.05 116.25 120.74 2k9p h VAL 57 Ca 0.39 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 2k9p h VAL 57 Cb 0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2k9p h VAL 57 CO -0.16 0.00 0.08 0.08 0.02 0.00 0.00 177.57 177.58 2k9p h ARG 58 N -0.92 0.21 0.36 1.57 0.11 -1.36 -1.78 114.38 112.56 2k9p h ARG 58 Ca -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 2k9p h ARG 58 Cb 0.66 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2k9p h ARG 58 CO 0.14 0.16 -0.26 1.03 0.10 0.00 0.00 179.97 181.14 2k9p h SER 59 N 0.21 -0.68 -0.96 0.08 0.87 -0.68 0.16 113.55 112.55 2k9p h SER 59 Ca 0.06 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2k9p h SER 59 Cb 0.02 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 2k9p h SER 59 CO -0.01 -0.38 0.59 1.23 -0.53 0.00 0.00 176.83 177.73 2k9p h GLY 60 N -0.59 1.38 0.82 5.77 0.00 -1.21 0.01 103.07 109.25 2k9p h GLY 60 Ca -0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 2k9p h GLY 60 CO 0.02 0.55 -0.04 0.00 0.00 0.00 0.00 176.54 177.06 2k9p h ALA 61 N 1.33 -0.12 -0.90 3.60 0.00 -1.35 -0.40 119.26 121.43 2k9p h ALA 61 Ca 0.35 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2k9p h ALA 61 Cb -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2k9p h ALA 61 CO -0.07 -0.48 0.58 0.00 0.00 0.00 0.00 179.25 179.29 2k9p h ALA 62 N 0.58 1.18 0.05 0.00 0.00 -0.42 -0.73 119.26 119.92 2k9p h ALA 62 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k9p h ALA 62 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k9p h ALA 62 CO 0.02 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 2k9p h ALA 63 N 1.37 -0.07 -0.27 0.00 0.00 -0.93 -1.33 119.26 118.02 2k9p h ALA 63 Ca 0.35 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2k9p h ALA 63 Cb -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2k9p h ALA 63 CO -0.11 -0.47 -0.07 1.25 0.00 0.00 0.00 179.25 179.84 2k9p h LEU 64 N -0.21 -0.27 -0.66 0.00 6.46 -0.71 0.09 115.31 120.00 2k9p h LEU 64 Ca -0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2k9p h LEU 64 Cb 0.18 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2k9p h LEU 64 CO 0.01 -0.10 0.38 0.00 -0.62 0.00 0.00 178.44 178.12 2k9p h THR 65 N -0.01 1.20 -0.65 1.05 1.03 -1.14 -1.34 112.91 113.05 2k9p h THR 65 Ca 0.13 -0.46 -0.04 0.00 -0.01 0.00 0.00 66.41 66.03 2k9p h THR 65 Cb 0.21 0.31 -0.03 0.00 -1.07 0.00 0.00 68.15 67.57 2k9p h THR 65 CO -0.28 0.21 0.25 0.17 -0.01 0.00 0.00 175.52 175.86 2k9p h LEU 66 N 0.90 0.87 0.30 0.00 8.10 -0.71 -0.77 115.31 124.00 2k9p h LEU 66 Ca 0.24 -0.12 -0.01 0.00 0.11 0.00 0.00 57.88 58.09 2k9p h LEU 66 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.00 2k9p h LEU 66 CO -0.04 0.78 -0.14 0.40 -4.11 0.00 0.00 178.44 175.33 2k9p h ILE 67 N 0.93 0.63 -0.67 0.15 2.04 -0.67 -0.00 117.51 119.92 2k9p h ILE 67 Ca 0.22 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2k9p h ILE 67 Cb 0.19 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2k9p h ILE 67 CO -0.02 0.13 0.44 -0.37 0.00 0.00 0.00 178.15 178.33 2k9p h VAL 68 N -0.86 1.14 -0.47 1.67 -1.51 -1.21 -1.45 116.25 113.55 2k9p h VAL 68 Ca -0.04 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 65.05 2k9p h VAL 68 Cb 0.52 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 29.85 2k9p h VAL 68 CO 0.07 0.16 -0.02 1.62 -1.23 0.00 0.00 177.57 178.16 2k9p h VAL 69 N 0.87 1.27 -0.99 7.19 3.04 -1.20 -2.01 116.25 124.43 2k9p h VAL 69 Ca 0.26 -1.10 0.02 0.00 -1.01 0.00 0.00 66.70 64.86 2k9p h VAL 69 Cb -0.05 1.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.21 2k9p h VAL 69 CO -0.08 0.38 0.65 -0.25 -1.01 0.00 0.00 177.57 177.27 2k9p h TRP 70 N 0.70 1.23 0.34 3.17 7.01 -0.55 0.23 115.95 128.09 2k9p h TRP 70 Ca 0.13 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 2k9p h TRP 70 Cb 0.54 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2k9p h TRP 70 CO 0.04 0.75 -0.16 0.82 -2.79 0.00 0.00 178.44 177.09 2k9p h ILE 71 N 1.30 0.59 -0.20 2.65 5.03 -1.13 -0.12 117.51 125.63 2k9p h ILE 71 Ca 0.37 -0.63 -0.05 0.00 -0.12 0.00 0.00 64.86 64.44 2k9p h ILE 71 Cb -0.09 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 34.56 2k9p h ILE 71 CO -0.10 0.11 -0.05 0.00 -0.68 0.00 0.00 178.15 177.43 2k9p h THR 72 N -0.85 1.29 0.00 -0.27 1.03 -1.26 -3.13 112.91 109.72 2k9p h THR 72 Ca -0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 2k9p h THR 72 Cb 0.53 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 2k9p h THR 72 CO 0.08 0.32 0.00 -0.24 -0.01 0.00 0.00 175.52 175.66 2k9p n SER 73 N -4.62 0.47 -3.78 0.00 2.88 0.80 -4.96 113.62 104.42 2k9p n SER 73 Ca -0.05 0.56 -0.27 0.00 -1.33 0.00 0.00 58.87 57.78 2k9p n SER 73 Cb 0.28 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 63.08 2k9p n SER 73 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k9p n ARG 74 N -1.96 -2.65 -1.68 -1.46 5.12 -0.08 -4.82 116.66 109.14 2k9p n ARG 74 Ca 0.05 0.47 -0.51 0.00 -1.93 0.00 0.00 57.85 55.93 2k9p n ARG 74 Cb 0.36 -4.48 -0.06 0.00 -1.16 0.00 0.00 32.46 27.12 2k9p n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2k9p n SER 75 N -2.86 2.81 -0.33 0.55 3.41 -1.07 -4.85 113.62 111.27 2k9p n SER 75 Ca -0.21 1.04 0.16 0.00 -0.26 0.00 0.00 58.87 59.60 2k9p n SER 75 Cb 0.64 -1.28 0.32 0.00 -0.26 0.00 0.00 64.21 63.63 2k9p n SER 75 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2k9p h ARG 76 N 7.43 0.02 -2.04 4.33 0.11 -1.94 -3.44 114.38 118.86 2k9p h ARG 76 Ca -0.47 -0.00 0.17 0.00 0.10 0.00 0.00 59.98 59.78 2k9p h ARG 76 Cb 1.29 -0.01 -0.15 0.00 1.11 0.00 0.00 29.97 32.22 2k9p h ARG 76 CO 0.92 0.02 0.59 -1.59 0.10 0.00 0.00 179.97 180.01 2k9p s LYS 77 N -5.96 0.72 0.20 0.08 -2.85 -1.26 -5.20 119.74 105.48 2k9p s LYS 77 Ca -0.13 -0.31 0.09 0.00 -1.00 0.00 0.00 55.97 54.63 2k9p s LYS 77 Cb 0.29 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.32 2k9p s LYS 77 CO 0.78 -0.32 -0.17 0.95 0.10 0.00 0.00 175.35 176.68 2k9p s THR 78 N -2.93 1.92 0.45 3.79 -4.23 -1.26 -5.14 115.64 108.25 2k9p s THR 78 Ca 0.08 -2.12 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 2k9p s THR 78 Cb -0.01 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 2k9p s THR 78 CO -0.06 -0.43 1.19 -2.16 -0.54 0.00 0.00 174.62 172.62 2k9p s PRO 79 N -3.23 3.78 0.31 3.99 0.04 -1.26 -4.91 135.00 133.72 2k9p s PRO 79 Ca 0.21 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2k9p s PRO 79 Cb -0.04 -2.47 0.85 0.00 0.04 0.00 0.00 34.50 32.88 2k9p s PRO 79 CO 0.08 -0.55 1.74 -0.84 0.04 0.00 0.00 177.00 177.47 2k9p h ILE 80 N 1.96 0.57 -0.77 0.56 3.07 -2.00 -1.34 117.51 119.55 2k9p h ILE 80 Ca -0.49 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 65.70 2k9p h ILE 80 Cb 1.25 -0.10 -0.04 0.00 -0.27 0.00 0.00 36.82 37.67 2k9p h ILE 80 CO 0.61 0.11 0.46 0.15 -1.05 0.00 0.00 178.15 178.42 2k9p h PHE 81 N 0.61 1.03 0.60 0.16 3.57 -1.99 0.31 116.94 121.23 2k9p h PHE 81 Ca 0.63 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.10 2k9p h PHE 81 Cb 1.15 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2k9p h PHE 81 CO -0.01 0.70 -0.35 0.82 -2.23 0.00 0.00 178.31 177.23 2k9p h ILE 82 N 1.06 0.28 -0.65 1.41 2.04 -1.63 -2.24 117.51 117.79 2k9p h ILE 82 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 2k9p h ILE 82 Cb -0.02 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2k9p h ILE 82 CO -0.05 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.93 2k9p h ILE 83 N -0.89 1.17 -0.15 -0.67 1.08 -1.10 -0.44 117.51 116.50 2k9p h ILE 83 Ca -0.07 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2k9p h ILE 83 Cb 0.72 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2k9p h ILE 83 CO 0.09 0.16 0.07 -1.13 -0.69 0.00 0.00 178.15 176.65 2k9p h ASN 84 N 0.88 0.10 -0.30 1.72 -1.24 -0.99 -1.51 115.58 114.23 2k9p h ASN 84 Ca 0.24 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.30 2k9p h ASN 84 Cb -0.10 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 2k9p h ASN 84 CO -0.05 0.08 0.02 1.56 -1.29 0.00 0.00 177.43 177.75 2k9p h GLN 85 N 0.16 0.11 -0.02 6.67 7.50 -0.92 -1.29 115.11 127.32 2k9p h GLN 85 Ca 0.06 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.24 2k9p h GLN 85 Cb 0.02 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.47 2k9p h GLN 85 CO -0.05 0.07 -0.33 0.28 -1.50 0.00 0.00 178.83 177.30 2k9p h VAL 86 N 0.11 0.28 0.23 -0.54 2.07 -0.77 0.10 116.25 117.74 2k9p h VAL 86 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2k9p h VAL 86 Cb 0.18 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2k9p h VAL 86 CO -0.23 0.00 -0.30 0.28 0.02 0.00 0.00 177.57 177.34 2k9p h SER 87 N -0.47 -0.84 0.30 0.57 0.02 -0.96 0.31 113.55 112.48 2k9p h SER 87 Ca 0.06 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2k9p h SER 87 Cb 0.57 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 2k9p h SER 87 CO -0.29 -0.42 -0.52 -0.07 -1.14 0.00 0.00 176.83 174.40 2k9p h LEU 88 N -0.59 -1.51 -0.67 5.07 -0.00 -1.09 -2.09 115.31 114.43 2k9p h LEU 88 Ca 0.00 0.14 0.11 0.00 -0.00 0.00 0.00 57.88 58.14 2k9p h LEU 88 Cb 0.57 0.53 -0.08 0.00 -0.00 0.00 0.00 40.66 41.68 2k9p h LEU 88 CO -0.11 -0.61 0.26 -0.26 -0.00 0.00 0.00 178.44 177.72 2k9p h PHE 89 N -0.88 0.45 0.37 1.13 0.04 -0.66 -0.19 116.94 117.20 2k9p h PHE 89 Ca -0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9p h PHE 89 Cb 0.82 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 2k9p h PHE 89 CO -0.37 0.09 -0.40 -0.07 -0.60 0.00 0.00 178.31 176.97 2k9p h LEU 90 N 0.44 -1.09 -0.21 1.54 4.07 -0.69 0.16 115.31 119.53 2k9p h LEU 90 Ca 0.35 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.40 2k9p h LEU 90 Cb 0.47 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2k9p h LEU 90 CO -0.34 -0.54 0.09 0.40 -1.08 0.00 0.00 178.44 176.97 2k9p h ILE 91 N -0.80 1.15 -0.59 1.22 2.04 -1.11 -0.90 117.51 118.54 2k9p h ILE 91 Ca -0.03 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2k9p h ILE 91 Cb 0.72 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2k9p h ILE 91 CO -0.08 0.15 0.31 0.40 0.00 0.00 0.00 178.15 178.93 2k9p h ILE 92 N 0.20 0.97 0.28 -0.67 2.04 -0.97 0.54 117.51 119.91 2k9p h ILE 92 Ca 0.07 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2k9p h ILE 92 Cb 0.15 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2k9p h ILE 92 CO -0.01 0.11 -0.32 -0.07 0.00 0.00 0.00 178.15 177.86 2k9p h LEU 93 N 0.60 -0.87 -0.40 1.44 3.38 -0.54 -0.13 115.31 118.80 2k9p h LEU 93 Ca 0.26 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.35 2k9p h LEU 93 Cb 0.15 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2k9p h LEU 93 CO -0.16 -0.44 0.15 -0.74 0.09 0.00 0.00 178.44 177.33 2k9p h HIS 94 N -0.64 0.27 0.54 1.13 2.76 -0.56 0.14 115.15 118.78 2k9p h HIS 94 Ca -0.01 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2k9p h HIS 94 Cb 0.60 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2k9p h HIS 94 CO -0.21 0.11 -0.27 1.03 -1.30 0.00 0.00 177.93 177.29 2k9p h SER 95 N 0.31 -0.64 -0.85 3.26 0.87 -0.83 -0.59 113.55 115.08 2k9p h SER 95 Ca 0.18 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2k9p h SER 95 Cb 0.15 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2k9p h SER 95 CO -0.18 -0.45 0.42 0.00 -0.53 0.00 0.00 176.83 176.09 2k9p h ALA 96 N -0.28 1.13 0.74 6.23 0.00 -0.85 -0.29 119.26 125.95 2k9p h ALA 96 Ca -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2k9p h ALA 96 Cb 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k9p h ALA 96 CO 0.11 0.66 -0.38 -0.07 0.00 0.00 0.00 179.25 179.57 2k9p h LEU 97 N 1.21 -0.92 -0.98 0.00 3.38 -0.68 -1.54 115.31 115.78 2k9p h LEU 97 Ca 0.29 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.32 2k9p h LEU 97 Cb 0.11 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2k9p h LEU 97 CO -0.04 -0.63 0.65 0.22 0.09 0.00 0.00 178.44 178.73 2k9p h TYR 98 N -1.03 1.22 0.24 1.13 3.20 -0.95 -0.92 116.97 119.86 2k9p h TYR 98 Ca -0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2k9p h TYR 98 Cb 0.80 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2k9p h TYR 98 CO -0.04 0.74 -0.38 0.35 -1.64 0.00 0.00 178.16 177.19 2k9p h PHE 99 N 1.29 -1.05 -0.41 -3.82 3.57 -0.99 -0.28 116.94 115.25 2k9p h PHE 99 Ca 0.37 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.90 2k9p h PHE 99 Cb -0.09 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2k9p h PHE 99 CO -0.00 -0.51 0.27 1.57 -2.23 0.00 0.00 178.31 177.42 2k9p h LYS 100 N -0.69 0.49 0.00 1.11 2.10 -0.97 -1.30 116.57 117.31 2k9p h LYS 100 Ca -0.00 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2k9p h LYS 100 Cb 0.67 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 2k9p h LYS 100 CO -0.15 0.33 -0.52 -0.92 -2.00 0.00 0.00 179.45 176.19 2k9p h TYR 101 N 0.51 0.00 0.05 0.07 3.20 -0.64 0.67 116.97 120.83 2k9p h TYR 101 Ca 0.16 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 2k9p h TYR 101 Cb 0.02 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.30 2k9p h TYR 101 CO -0.00 0.52 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.36 2k9p h LEU 102 N 0.00 0.45 -0.74 2.82 3.38 -0.51 -3.36 115.31 117.35 2k9p h LEU 102 Ca -0.01 -0.84 -0.11 0.00 0.09 0.00 0.00 57.88 57.01 2k9p h LEU 102 Cb 0.98 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2k9p h LEU 102 CO 0.07 1.24 -0.26 0.17 0.09 0.00 0.00 178.44 179.75 2k9p h LEU 103 N -0.29 0.68 -1.08 1.67 8.10 -1.18 -3.23 115.31 119.99 2k9p h LEU 103 Ca -0.09 -0.25 0.10 0.00 0.11 0.00 0.00 57.88 57.75 2k9p h LEU 103 Cb 1.38 -0.19 -0.07 0.00 -0.44 0.00 0.00 40.66 41.34 2k9p h LEU 103 CO 0.12 0.92 0.62 0.77 -4.11 0.00 0.00 178.44 176.76 2k9p h SER 104 N 0.58 0.90 -0.08 0.17 4.64 -1.01 -0.24 113.55 118.52 2k9p h SER 104 Ca 0.08 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2k9p h SER 104 Cb 0.75 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2k9p h SER 104 CO 0.06 0.52 -0.21 -1.13 -0.87 0.00 0.00 176.83 175.19 2k9p h ASN 105 N 0.99 0.32 -0.01 4.97 -0.73 -1.71 -3.34 115.58 116.08 2k9p h ASN 105 Ca 0.46 -0.59 0.02 0.00 1.87 0.00 0.00 56.30 58.06 2k9p h ASN 105 Cb 0.41 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 2k9p h ASN 105 CO -0.21 0.86 -0.15 1.88 -0.37 0.00 0.00 177.43 179.44 2k9p h TYR 106 N -0.20 -0.38 -2.76 0.67 0.05 -1.38 -3.45 116.97 109.52 2k9p h TYR 106 Ca -0.00 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 2k9p h TYR 106 Cb 0.82 0.17 -0.21 0.00 1.01 0.00 0.00 36.73 38.52 2k9p h TYR 106 CO 0.12 -0.22 -0.18 0.45 -1.05 0.00 0.00 178.16 177.28 2k9p s SER 107 N -5.00 -0.35 -0.26 3.88 0.15 -0.17 -5.13 113.70 106.82 2k9p s SER 107 Ca -0.14 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.90 2k9p s SER 107 Cb 0.09 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 2k9p s SER 107 CO 0.67 -0.39 0.09 -0.55 1.20 0.00 0.00 173.24 174.26 2k9p s SER 108 N -0.84 3.43 -0.29 5.45 0.15 -1.26 -4.09 113.70 116.25 2k9p s SER 108 Ca -0.09 -1.22 -0.13 0.00 0.70 0.00 0.00 55.95 55.20 2k9p s SER 108 Cb -0.04 -0.59 0.12 0.00 -1.71 0.00 0.00 66.02 63.80 2k9p s SER 108 CO 0.04 -0.38 0.77 0.54 1.20 0.00 0.00 173.24 175.40 2k9p s VAL 109 N 1.86 -0.47 -1.47 4.45 0.11 -1.26 -5.19 120.40 118.44 2k9p s VAL 109 Ca 0.06 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.22 2k9p s VAL 109 Cb -0.17 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2k9p s VAL 109 CO -0.22 0.00 0.87 0.41 -3.33 0.00 0.00 175.10 172.83