#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 -0.06 0.00 1.61 2.47 -1.26 -5.20 114.94 112.50 2k9p s ASN 32 Ca 0.00 -0.75 0.00 0.00 0.42 0.00 0.00 52.86 52.53 2k9p s ASN 32 Cb 0.00 0.62 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 2k9p s ASN 32 CO 0.00 -1.21 0.00 0.61 -3.72 0.00 0.00 177.10 172.78 2k9p n GLY 33 N -0.58 6.20 3.53 1.21 0.00 -1.26 -4.76 105.19 109.54 2k9p n GLY 33 Ca -0.05 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 2k9p n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k9p n SER 34 N -0.17 1.77 -0.28 1.61 7.64 -1.26 -4.80 113.62 118.12 2k9p n SER 34 Ca 0.00 -0.30 0.08 0.00 1.01 0.00 0.00 58.87 59.66 2k9p n SER 34 Cb 0.00 -1.40 0.15 0.00 -1.01 0.00 0.00 64.21 61.95 2k9p n SER 34 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2k9p n THR 35 N 7.85 1.86 -4.34 0.44 5.66 -1.26 -5.04 114.28 119.45 2k9p n THR 35 Ca 0.45 -2.44 -0.18 0.00 -3.05 0.00 0.00 64.05 58.83 2k9p n THR 35 Cb 0.40 -0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 68.90 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 -2.80 1.34 1.10 1.09 1.09 -1.26 -5.16 121.20 116.61 2k9p s ILE 36 Ca 0.32 -2.09 -0.12 0.00 -1.10 0.00 0.00 60.65 57.66 2k9p s ILE 36 Cb 0.30 -2.22 0.25 0.00 -1.06 0.00 0.00 42.46 39.72 2k9p s ILE 36 CO -0.01 -0.45 1.06 0.42 -0.10 0.00 0.00 174.94 175.87 2k9p s THR 37 N -3.22 2.02 0.15 2.92 -4.23 -1.26 -4.92 115.64 107.11 2k9p s THR 37 Ca 0.25 0.01 0.33 0.00 -1.18 0.00 0.00 61.69 61.10 2k9p s THR 37 Cb 0.03 -2.02 0.34 0.00 1.34 0.00 0.00 72.50 72.19 2k9p s THR 37 CO 0.08 -0.01 2.00 2.19 -0.54 0.00 0.00 174.62 178.34 2k9p h PHE 38 N -2.46 0.00 -1.01 3.99 -5.15 -2.02 -3.07 116.94 107.22 2k9p h PHE 38 Ca -0.57 0.00 0.24 0.00 -0.20 0.00 0.00 57.97 57.44 2k9p h PHE 38 Cb 1.32 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 37.39 2k9p h PHE 38 CO 0.33 0.00 0.64 -0.44 -2.00 0.00 0.00 178.31 176.84 2k9p h ASP 39 N 0.00 0.54 -0.07 -0.68 5.19 -1.98 -1.22 116.42 118.20 2k9p h ASP 39 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2k9p h ASP 39 Cb 0.12 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 2k9p h ASP 39 CO 0.00 0.14 0.04 -0.33 -3.12 0.00 0.00 179.24 175.97 2k9p h GLU 40 N 0.49 0.08 0.07 3.56 4.39 -1.91 0.20 114.58 121.47 2k9p h GLU 40 Ca 0.58 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.27 2k9p h GLU 40 Cb 1.30 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2k9p h GLU 40 CO -0.32 0.05 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.48 2k9p h LEU 41 N 0.08 -0.08 -0.91 1.33 -0.00 -1.54 -1.00 115.31 113.19 2k9p h LEU 41 Ca 0.03 -0.07 0.08 0.00 -0.00 0.00 0.00 57.88 57.92 2k9p h LEU 41 Cb -0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 40.61 2k9p h LEU 41 CO -0.01 0.02 0.56 1.56 -0.00 0.00 0.00 178.44 180.56 2k9p h GLN 42 N -0.18 0.94 0.25 1.13 4.20 -1.08 -2.14 115.11 118.23 2k9p h GLN 42 Ca -0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2k9p h GLN 42 Cb 0.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2k9p h GLN 42 CO 0.02 0.62 -0.18 0.78 -0.67 0.00 0.00 178.83 179.40 2k9p h GLY 43 N 0.97 -0.43 1.02 3.46 0.00 -0.35 0.11 103.07 107.86 2k9p h GLY 43 Ca 0.42 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.96 2k9p h GLY 43 CO -0.21 -0.18 0.62 0.17 0.00 0.00 0.00 176.54 176.94 2k9p h LEU 44 N -0.42 1.05 0.00 3.11 8.10 -0.79 -2.22 115.31 124.13 2k9p h LEU 44 Ca -0.02 -0.02 -0.09 0.00 0.11 0.00 0.00 57.88 57.87 2k9p h LEU 44 Cb 0.37 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2k9p h LEU 44 CO 0.01 0.74 -0.45 -0.37 -4.11 0.00 0.00 178.44 174.26 2k9p h VAL 45 N 1.23 0.66 0.10 0.15 -1.51 -1.31 0.13 116.25 115.70 2k9p h VAL 45 Ca 0.36 -1.95 -0.00 0.00 -1.23 0.00 0.00 66.70 63.87 2k9p h VAL 45 Cb -0.08 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2k9p h VAL 45 CO -0.09 0.38 -0.05 0.78 -1.23 0.00 0.00 177.57 177.36 2k9p h ASN 46 N 0.00 -0.11 0.00 4.19 -0.26 -0.14 -3.43 115.58 115.83 2k9p h ASN 46 Ca -0.01 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.58 2k9p h ASN 46 Cb 1.31 0.03 -0.13 0.00 -1.06 0.00 0.00 38.32 38.47 2k9p h ASN 46 CO 0.05 -0.07 -0.18 -0.24 -1.06 0.00 0.00 177.43 175.94 2k9p n SER 47 N -5.14 -1.80 0.14 5.81 2.88 -1.13 -4.99 113.62 109.39 2k9p n SER 47 Ca -0.08 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 2k9p n SER 47 Cb 0.08 1.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.87 2k9p n SER 47 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k9p n THR 48 N 0.96 0.00 -0.05 2.46 -1.04 -0.75 -4.88 114.28 110.98 2k9p n THR 48 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 2k9p n THR 48 Cb 0.71 -0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 68.85 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 1.35 -0.73 12.58 3.04 -1.10 -3.19 116.25 128.21 2k9p h VAL 49 Ca 0.00 -1.35 -0.01 0.00 -1.01 0.00 0.00 66.70 64.33 2k9p h VAL 49 Cb 0.00 1.92 -0.04 0.00 -2.01 0.00 0.00 31.29 31.16 2k9p h VAL 49 CO 0.00 0.40 0.42 0.00 -1.01 0.00 0.00 177.57 177.38 2k9p h THR 50 N -0.02 1.21 -0.08 3.17 1.03 -1.83 -2.04 112.91 114.35 2k9p h THR 50 Ca 0.02 -0.49 -0.06 0.00 -0.01 0.00 0.00 66.41 65.87 2k9p h THR 50 Cb 0.71 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.98 2k9p h THR 50 CO 0.04 0.23 -0.22 -0.61 -0.01 0.00 0.00 175.52 174.95 2k9p h GLN 51 N 1.01 0.13 -0.14 0.00 5.75 -1.90 -3.10 115.11 116.87 2k9p h GLN 51 Ca 0.26 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2k9p h GLN 51 Cb -0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2k9p h GLN 51 CO -0.05 0.35 0.09 0.00 -2.65 0.00 0.00 178.83 176.57 2k9p h ALA 52 N 1.66 0.17 0.23 3.38 0.00 -1.35 0.89 119.26 124.25 2k9p h ALA 52 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k9p h ALA 52 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k9p h ALA 52 CO 0.03 -0.34 -0.20 0.82 0.00 0.00 0.00 179.25 179.56 2k9p h ILE 53 N 0.18 0.56 -0.28 0.00 5.03 -1.61 -0.74 117.51 120.66 2k9p h ILE 53 Ca 0.05 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.85 2k9p h ILE 53 Cb -0.02 0.56 -0.05 0.00 -3.03 0.00 0.00 36.82 34.28 2k9p h ILE 53 CO -0.01 0.00 -0.05 -0.07 -0.68 0.00 0.00 178.15 177.34 2k9p h LEU 54 N -0.45 -0.22 -0.20 1.44 3.38 -1.46 -1.30 115.31 116.50 2k9p h LEU 54 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k9p h LEU 54 Cb 0.41 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k9p h LEU 54 CO -0.03 -0.07 0.11 0.15 0.09 0.00 0.00 178.44 178.69 2k9p h PHE 55 N 0.02 0.26 -0.69 1.13 3.57 -0.69 -2.14 116.94 118.40 2k9p h PHE 55 Ca 0.14 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2k9p h PHE 55 Cb 0.20 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 2k9p h PHE 55 CO -0.26 0.22 0.41 0.78 -2.23 0.00 0.00 178.31 177.24 2k9p h GLY 56 N 0.23 1.01 0.50 2.40 0.00 -0.87 0.15 103.07 106.49 2k9p h GLY 56 Ca 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2k9p h GLY 56 CO -0.01 0.22 -0.26 -2.08 0.00 0.00 0.00 176.54 174.41 2k9p h VAL 57 N 0.78 0.00 -0.56 4.60 2.07 -1.10 -1.07 116.25 120.98 2k9p h VAL 57 Ca 0.30 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.86 2k9p h VAL 57 Cb 0.11 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2k9p h VAL 57 CO -0.15 0.00 0.37 0.08 0.02 0.00 0.00 177.57 177.89 2k9p h ARG 58 N -0.69 0.56 0.75 1.57 0.11 -1.38 -0.94 114.38 114.36 2k9p h ARG 58 Ca -0.07 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.94 2k9p h ARG 58 Cb 0.53 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.49 2k9p h ARG 58 CO 0.10 0.37 -0.36 0.77 0.10 0.00 0.00 179.97 180.95 2k9p h SER 59 N 0.58 -0.85 -0.82 0.08 0.02 -0.91 0.98 113.55 112.63 2k9p h SER 59 Ca 0.23 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2k9p h SER 59 Cb 0.19 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2k9p h SER 59 CO -0.06 -0.59 0.54 1.23 -1.14 0.00 0.00 176.83 176.80 2k9p h GLY 60 N -1.04 1.17 0.93 -3.77 0.00 -1.00 -0.94 103.07 98.42 2k9p h GLY 60 Ca -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2k9p h GLY 60 CO 0.17 0.39 -0.06 0.00 0.00 0.00 0.00 176.54 177.04 2k9p h ALA 61 N 1.32 -0.17 -0.79 3.60 0.00 -1.21 -1.18 119.26 120.82 2k9p h ALA 61 Ca 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2k9p h ALA 61 Cb -0.08 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2k9p h ALA 61 CO -0.08 -0.56 0.48 0.00 0.00 0.00 0.00 179.25 179.09 2k9p h ALA 62 N 0.62 1.07 0.35 0.00 0.00 -0.54 -1.56 119.26 119.20 2k9p h ALA 62 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k9p h ALA 62 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k9p h ALA 62 CO 0.03 0.22 -0.17 0.00 0.00 0.00 0.00 179.25 179.33 2k9p h ALA 63 N 1.37 -0.47 -0.24 0.00 0.00 -1.11 -2.19 119.26 116.62 2k9p h ALA 63 Ca 0.34 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2k9p h ALA 63 Cb 0.14 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2k9p h ALA 63 CO -0.16 -0.76 -0.29 1.25 0.00 0.00 0.00 179.25 179.29 2k9p h LEU 64 N -0.48 -0.92 -0.95 0.00 6.46 -0.82 -0.93 115.31 117.67 2k9p h LEU 64 Ca -0.05 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2k9p h LEU 64 Cb 0.37 0.42 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 2k9p h LEU 64 CO 0.08 -0.32 0.63 0.00 -0.62 0.00 0.00 178.44 178.21 2k9p h THR 65 N -0.30 1.25 -0.61 1.05 1.03 -1.31 -1.94 112.91 112.08 2k9p h THR 65 Ca 0.13 -0.46 0.06 0.00 -0.01 0.00 0.00 66.41 66.13 2k9p h THR 65 Cb 0.51 -0.15 -0.05 0.00 -1.07 0.00 0.00 68.15 67.38 2k9p h THR 65 CO -0.41 0.24 0.32 0.17 -0.01 0.00 0.00 175.52 175.83 2k9p h LEU 66 N 1.29 0.45 -0.25 0.00 8.10 -0.74 -0.55 115.31 123.61 2k9p h LEU 66 Ca 0.35 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.37 2k9p h LEU 66 Cb -0.14 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.02 2k9p h LEU 66 CO -0.07 0.29 0.12 0.40 -4.11 0.00 0.00 178.44 175.07 2k9p h ILE 67 N 0.59 1.15 0.68 0.15 2.04 -0.55 -0.14 117.51 121.43 2k9p h ILE 67 Ca 0.28 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2k9p h ILE 67 Cb 0.21 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2k9p h ILE 67 CO -0.19 0.15 -0.34 0.58 0.00 0.00 0.00 178.15 178.35 2k9p h VAL 68 N 0.27 0.31 -0.99 1.67 2.07 -0.97 0.61 116.25 119.23 2k9p h VAL 68 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2k9p h VAL 68 Cb 0.13 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 2k9p h VAL 68 CO -0.01 0.00 0.63 1.62 0.02 0.00 0.00 177.57 179.83 2k9p h VAL 69 N -0.93 0.96 -0.41 2.57 3.04 -1.08 -1.48 116.25 118.91 2k9p h VAL 69 Ca -0.09 -0.35 -0.11 0.00 -1.01 0.00 0.00 66.70 65.14 2k9p h VAL 69 Cb 0.72 -0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 2k9p h VAL 69 CO 0.15 0.18 -0.19 -0.25 -1.01 0.00 0.00 177.57 176.45 2k9p h TRP 70 N 1.01 0.90 -0.85 3.17 7.01 -0.79 0.28 115.95 126.69 2k9p h TRP 70 Ca 0.47 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2k9p h TRP 70 Cb 0.43 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2k9p h TRP 70 CO -0.00 0.93 0.51 0.82 -2.79 0.00 0.00 178.44 177.90 2k9p h ILE 71 N 0.71 1.24 0.01 2.65 2.04 0.15 0.10 117.51 124.41 2k9p h ILE 71 Ca 0.10 -0.52 -0.18 0.00 1.00 0.00 0.00 64.86 65.26 2k9p h ILE 71 Cb 0.70 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2k9p h ILE 71 CO 0.05 0.25 -0.98 0.00 0.00 0.00 0.00 178.15 177.47 2k9p h THR 72 N 1.17 1.13 0.00 -0.27 1.03 -1.35 -3.39 112.91 111.22 2k9p h THR 72 Ca 0.30 -2.23 -0.11 0.00 -0.01 0.00 0.00 66.41 64.36 2k9p h THR 72 Cb -0.04 2.53 -0.02 0.00 -1.07 0.00 0.00 68.15 69.55 2k9p h THR 72 CO -0.06 0.41 -0.51 -1.28 -0.01 0.00 0.00 175.52 174.08 2k9p h SER 73 N -0.94 0.00 -5.92 0.00 0.87 -0.51 -3.48 113.55 103.57 2k9p h SER 73 Ca -0.27 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 59.90 2k9p h SER 73 Cb 1.27 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 63.33 2k9p h SER 73 CO -0.14 0.51 -0.75 0.54 -0.53 0.00 0.00 176.83 176.46 2k9p n ARG 74 N -3.51 -6.55 -1.55 2.24 5.12 0.35 -4.87 116.66 107.90 2k9p n ARG 74 Ca 0.00 0.75 -0.55 0.00 -1.93 0.00 0.00 57.85 56.12 2k9p n ARG 74 Cb 0.62 -5.67 -0.08 0.00 -1.16 0.00 0.00 32.46 26.16 2k9p n ARG 74 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2k9p n SER 75 N -3.03 2.05 0.00 0.55 7.64 -1.26 -4.85 113.62 114.73 2k9p n SER 75 Ca -0.13 0.77 0.06 0.00 1.01 0.00 0.00 58.87 60.58 2k9p n SER 75 Cb 0.61 -1.15 0.31 0.00 -1.01 0.00 0.00 64.21 62.97 2k9p n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k9p n ARG 76 N 6.75 0.17 -0.30 1.43 3.00 -1.26 -2.94 116.66 123.51 2k9p n ARG 76 Ca 0.36 0.17 0.06 0.00 -0.00 0.00 0.00 57.85 58.44 2k9p n ARG 76 Cb 0.14 -1.50 0.20 0.00 0.00 0.00 0.00 32.46 31.30 2k9p n ARG 76 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2k9p n LYS 77 N -1.30 2.35 -3.60 -0.14 2.85 -1.26 -4.67 118.16 112.40 2k9p n LYS 77 Ca 0.06 -1.60 -0.35 0.00 -1.05 0.00 0.00 58.31 55.37 2k9p n LYS 77 Cb 0.10 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 32.90 2k9p n LYS 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2k9p n THR 78 N 0.62 3.03 -1.72 0.58 -2.24 -1.15 -5.06 114.28 108.34 2k9p n THR 78 Ca 0.15 -5.16 -0.34 0.00 -2.27 0.00 0.00 64.05 56.43 2k9p n THR 78 Cb 0.49 -2.33 0.06 0.00 -2.10 0.00 0.00 70.33 66.44 2k9p n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2k9p s PRO 79 N -1.56 2.65 0.31 -0.78 0.04 -1.26 -4.80 135.00 129.60 2k9p s PRO 79 Ca 0.29 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2k9p s PRO 79 Cb -0.05 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.43 2k9p s PRO 79 CO -0.11 -1.40 1.70 -0.84 0.04 0.00 0.00 177.00 176.40 2k9p h ILE 80 N 0.09 0.47 -0.32 0.56 3.07 -1.99 -1.26 117.51 118.13 2k9p h ILE 80 Ca -0.48 -0.16 -0.02 0.00 1.55 0.00 0.00 64.86 65.76 2k9p h ILE 80 Cb 1.27 -0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.77 2k9p h ILE 80 CO 0.53 0.08 0.13 0.15 -1.05 0.00 0.00 178.15 178.00 2k9p h PHE 81 N 0.46 0.49 0.54 0.16 3.57 -1.99 0.13 116.94 120.30 2k9p h PHE 81 Ca 0.62 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 62.07 2k9p h PHE 81 Cb 1.23 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2k9p h PHE 81 CO -0.07 0.46 -0.35 0.82 -2.23 0.00 0.00 178.31 176.94 2k9p h ILE 82 N 0.38 0.28 -0.74 1.41 2.04 -1.64 -2.15 117.51 117.09 2k9p h ILE 82 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2k9p h ILE 82 Cb 0.17 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2k9p h ILE 82 CO -0.01 0.00 0.34 0.40 0.00 0.00 0.00 178.15 178.88 2k9p h ILE 83 N -0.86 1.24 0.08 -0.67 1.08 -1.10 0.26 117.51 117.55 2k9p h ILE 83 Ca -0.06 -0.71 0.02 0.00 -0.39 0.00 0.00 64.86 63.71 2k9p h ILE 83 Cb 0.70 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2k9p h ILE 83 CO 0.05 0.30 -0.17 -1.13 -0.69 0.00 0.00 178.15 176.51 2k9p h ASN 84 N 1.05 -0.48 -0.75 1.72 -1.24 -0.78 -1.49 115.58 113.60 2k9p h ASN 84 Ca 0.25 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.37 2k9p h ASN 84 Cb 0.15 0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.33 2k9p h ASN 84 CO -0.03 -0.24 0.46 1.56 -1.29 0.00 0.00 177.43 177.89 2k9p h GLN 85 N -0.32 0.84 0.39 6.67 7.50 -0.90 -0.08 115.11 129.20 2k9p h GLN 85 Ca 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2k9p h GLN 85 Cb 0.35 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 2k9p h GLN 85 CO -0.11 0.55 -0.41 0.28 -1.50 0.00 0.00 178.83 177.65 2k9p h VAL 86 N 0.86 0.00 0.01 -0.54 2.07 -0.62 0.15 116.25 118.18 2k9p h VAL 86 Ca 0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 2k9p h VAL 86 Cb 0.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2k9p h VAL 86 CO -0.15 0.00 -0.04 -1.28 0.02 0.00 0.00 177.57 176.13 2k9p h SER 87 N -0.80 -0.10 -0.07 0.57 0.87 -1.13 -2.48 113.55 110.41 2k9p h SER 87 Ca -0.05 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2k9p h SER 87 Cb 0.70 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2k9p h SER 87 CO -0.06 -0.05 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.85 2k9p h LEU 88 N -0.07 -0.82 -0.67 2.23 3.38 -0.99 -2.66 115.31 115.70 2k9p h LEU 88 Ca 0.01 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.24 2k9p h LEU 88 Cb 0.08 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 2k9p h LEU 88 CO -0.03 -0.33 0.16 0.15 0.09 0.00 0.00 178.44 178.48 2k9p h PHE 89 N -0.37 0.25 0.07 1.13 3.57 -0.52 0.12 116.94 121.17 2k9p h PHE 89 Ca 0.08 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2k9p h PHE 89 Cb 0.49 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2k9p h PHE 89 CO -0.34 -0.05 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.42 2k9p h LEU 90 N 0.27 -0.56 -0.41 0.59 3.38 -1.12 0.11 115.31 117.58 2k9p h LEU 90 Ca 0.37 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 2k9p h LEU 90 Cb 0.58 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2k9p h LEU 90 CO -0.45 -0.27 0.02 0.40 0.09 0.00 0.00 178.44 178.22 2k9p h ILE 91 N -0.36 1.26 -0.52 1.22 2.04 -1.08 -0.91 117.51 119.15 2k9p h ILE 91 Ca 0.04 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2k9p h ILE 91 Cb 0.40 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2k9p h ILE 91 CO -0.14 0.33 0.35 0.40 0.00 0.00 0.00 178.15 179.09 2k9p h ILE 92 N 0.55 1.14 0.34 -0.67 2.04 -0.68 0.24 117.51 120.46 2k9p h ILE 92 Ca 0.12 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2k9p h ILE 92 Cb 0.46 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2k9p h ILE 92 CO 0.02 0.13 -0.40 0.25 0.00 0.00 0.00 178.15 178.15 2k9p h LEU 93 N 0.71 -1.10 -0.10 1.44 5.85 -0.65 -0.03 115.31 121.42 2k9p h LEU 93 Ca 0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2k9p h LEU 93 Cb -0.08 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k9p h LEU 93 CO -0.04 -0.53 0.06 -0.74 -0.34 0.00 0.00 178.44 176.85 2k9p h HIS 94 N -0.78 0.12 -0.02 1.25 2.76 -0.88 0.67 115.15 118.28 2k9p h HIS 94 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2k9p h HIS 94 Cb 0.71 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2k9p h HIS 94 CO -0.25 0.07 0.01 0.66 -1.30 0.00 0.00 177.93 177.13 2k9p h SER 95 N 0.13 0.02 -0.81 3.26 4.64 -0.98 -1.52 113.55 118.29 2k9p h SER 95 Ca 0.04 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2k9p h SER 95 Cb -0.01 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2k9p h SER 95 CO -0.01 0.08 0.51 0.00 -0.87 0.00 0.00 176.83 176.53 2k9p h ALA 96 N 0.94 1.36 0.80 5.18 0.00 -0.86 -0.59 119.26 126.09 2k9p h ALA 96 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k9p h ALA 96 Cb 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2k9p h ALA 96 CO -0.00 0.57 -0.44 -0.07 0.00 0.00 0.00 179.25 179.31 2k9p h LEU 97 N 1.12 -1.07 -1.06 0.00 3.38 -0.72 -1.34 115.31 115.63 2k9p h LEU 97 Ca 0.29 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.34 2k9p h LEU 97 Cb -0.07 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2k9p h LEU 97 CO -0.06 -0.70 0.64 0.22 0.09 0.00 0.00 178.44 178.62 2k9p h TYR 98 N -1.14 1.20 0.43 1.13 5.03 -1.10 -0.71 116.97 121.80 2k9p h TYR 98 Ca -0.11 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 2k9p h TYR 98 Cb 0.90 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 2k9p h TYR 98 CO -0.06 0.73 -0.43 0.35 -1.32 0.00 0.00 178.16 177.42 2k9p h PHE 99 N 1.26 -1.19 -0.20 -3.82 3.57 -1.06 -0.86 116.94 114.64 2k9p h PHE 99 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2k9p h PHE 99 Cb -0.08 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2k9p h PHE 99 CO -0.00 -0.59 0.13 1.57 -2.23 0.00 0.00 178.31 177.19 2k9p h LYS 100 N -0.87 0.26 -0.40 1.11 2.10 -0.94 -1.27 116.57 116.57 2k9p h LYS 100 Ca -0.04 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.48 2k9p h LYS 100 Cb 0.78 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2k9p h LYS 100 CO -0.07 0.18 -0.18 -0.92 -2.00 0.00 0.00 179.45 176.46 2k9p h TYR 101 N 0.27 0.95 -0.39 0.07 3.20 -0.78 0.21 116.97 120.50 2k9p h TYR 101 Ca 0.07 -0.23 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 2k9p h TYR 101 Cb -0.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2k9p h TYR 101 CO 0.00 0.99 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.43 2k9p h LEU 102 N 0.64 0.68 -0.80 2.82 3.38 -0.69 -3.20 115.31 118.14 2k9p h LEU 102 Ca 0.09 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2k9p h LEU 102 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2k9p h LEU 102 CO 0.06 0.83 -0.51 0.17 0.09 0.00 0.00 178.44 179.08 2k9p h LEU 103 N 0.52 0.00 -1.77 1.67 8.10 -1.17 -3.28 115.31 119.38 2k9p h LEU 103 Ca 0.11 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.33 2k9p h LEU 103 Cb 0.48 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.65 2k9p h LEU 103 CO 0.02 0.51 0.60 -1.28 -4.11 0.00 0.00 178.44 174.18 2k9p h SER 104 N 0.00 0.18 1.05 0.17 0.87 -0.57 0.21 113.55 115.46 2k9p h SER 104 Ca -0.01 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2k9p h SER 104 Cb 1.03 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2k9p h SER 104 CO 0.07 0.07 -1.00 -1.13 -0.53 0.00 0.00 176.83 174.30 2k9p h ASN 105 N 0.18 0.00 0.00 6.23 -0.73 -1.71 -3.40 115.58 116.16 2k9p h ASN 105 Ca 0.44 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.61 2k9p h ASN 105 Cb 1.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.01 2k9p h ASN 105 CO -0.09 0.64 -0.00 1.88 -0.37 0.00 0.00 177.43 179.49 2k9p h TYR 106 N 0.00 -0.00 -3.82 0.67 0.05 -0.86 -3.45 116.97 109.56 2k9p h TYR 106 Ca -0.08 -0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.02 2k9p h TYR 106 Cb 1.56 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.95 2k9p h TYR 106 CO 0.00 0.32 -0.76 -1.12 -1.05 0.00 0.00 178.16 175.55 2k9p s SER 107 N -5.76 4.59 0.00 3.88 0.01 0.23 -5.00 113.70 111.65 2k9p s SER 107 Ca -0.06 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.86 2k9p s SER 107 Cb -0.01 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2k9p s SER 107 CO 0.22 -0.21 0.61 -0.24 0.41 0.00 0.00 173.24 174.03 2k9p n SER 108 N 4.50 1.50 -3.65 2.44 2.88 -1.26 -4.51 113.62 115.52 2k9p n SER 108 Ca -0.14 -1.85 -0.29 0.00 -1.33 0.00 0.00 58.87 55.26 2k9p n SER 108 Cb 0.43 -0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 63.30 2k9p n SER 108 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2k9p s VAL 109 N -0.67 1.21 -2.00 2.46 1.01 -1.26 -4.67 120.40 116.49 2k9p s VAL 109 Ca 0.00 -2.61 0.14 0.00 0.00 0.00 0.00 61.98 59.51 2k9p s VAL 109 Cb 0.00 -1.84 0.41 0.00 0.00 0.00 0.00 36.38 34.94 2k9p s VAL 109 CO 0.00 -0.97 1.27 0.41 0.00 0.00 0.00 175.10 175.82