#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 0.39 -0.04 1.61 0.01 -1.26 -5.07 114.94 110.57 2k9p s ASN 32 Ca 0.00 0.55 -0.03 0.00 -0.71 0.00 0.00 52.86 52.66 2k9p s ASN 32 Cb 0.00 0.61 0.01 0.00 0.41 0.00 0.00 41.25 42.28 2k9p s ASN 32 CO 0.00 -0.24 0.06 0.61 -1.51 0.00 0.00 177.10 176.03 2k9p n GLY 33 N 5.29 -3.70 2.75 0.66 0.00 -1.26 -5.10 105.19 103.83 2k9p n GLY 33 Ca -0.07 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2k9p n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k9p s SER 34 N -0.20 1.08 -0.21 1.61 1.04 -1.26 -5.02 113.70 110.74 2k9p s SER 34 Ca -0.07 0.12 0.15 0.00 0.48 0.00 0.00 55.95 56.63 2k9p s SER 34 Cb 0.00 0.09 0.78 0.00 0.10 0.00 0.00 66.02 66.99 2k9p s SER 34 CO 0.20 -0.26 1.70 1.07 0.98 0.00 0.00 173.24 176.93 2k9p n THR 35 N 5.31 2.54 -2.45 2.02 5.66 -1.26 -5.00 114.28 121.10 2k9p n THR 35 Ca -0.04 -1.40 -0.34 0.00 -3.05 0.00 0.00 64.05 59.21 2k9p n THR 35 Cb 0.50 -0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.07 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 -2.58 3.66 1.31 1.09 -1.09 -1.26 -5.06 121.20 117.27 2k9p s ILE 36 Ca 0.53 1.01 -0.17 0.00 -2.23 0.00 0.00 60.65 59.79 2k9p s ILE 36 Cb 0.39 -3.41 0.34 0.00 -1.58 0.00 0.00 42.46 38.20 2k9p s ILE 36 CO 0.17 -0.24 0.95 0.35 -1.23 0.00 0.00 174.94 174.95 2k9p n THR 37 N -1.11 0.00 0.56 2.92 -2.24 -1.26 -4.92 114.28 108.24 2k9p n THR 37 Ca 0.10 -0.33 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 2k9p n THR 37 Cb 0.52 -0.99 0.32 0.00 -2.10 0.00 0.00 70.33 68.08 2k9p n THR 37 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2k9p n PHE 38 N -5.36 0.00 -0.33 4.78 3.01 -1.26 -3.33 117.46 114.97 2k9p n PHE 38 Ca 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 2k9p n PHE 38 Cb 0.56 -0.41 0.09 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.12 -0.82 4.37 5.19 -2.00 -2.64 116.42 121.64 2k9p h ASP 39 Ca 0.00 -0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.39 2k9p h ASP 39 Cb 0.20 -0.29 -0.06 0.00 0.18 0.00 0.00 39.33 39.37 2k9p h ASP 39 CO 0.00 0.91 0.54 1.05 -3.12 0.00 0.00 179.24 178.61 2k9p h GLU 40 N 1.25 0.79 0.43 3.56 4.11 -1.93 0.08 114.58 122.88 2k9p h GLU 40 Ca 0.31 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.67 2k9p h GLU 40 Cb 0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2k9p h GLU 40 CO -0.05 0.52 -0.21 -0.07 0.07 0.00 0.00 179.01 179.28 2k9p h LEU 41 N 0.81 -0.49 -0.96 3.06 -0.00 -1.71 -0.33 115.31 115.69 2k9p h LEU 41 Ca 0.37 -0.10 0.13 0.00 -0.00 0.00 0.00 57.88 58.29 2k9p h LEU 41 Cb 0.37 0.13 -0.09 0.00 -0.00 0.00 0.00 40.66 41.07 2k9p h LEU 41 CO -0.14 -0.15 0.59 1.56 -0.00 0.00 0.00 178.44 180.29 2k9p h GLN 42 N -0.88 0.86 -0.06 1.13 1.08 -1.19 -2.25 115.11 113.80 2k9p h GLN 42 Ca -0.06 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2k9p h GLN 42 Cb 0.56 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2k9p h GLN 42 CO 0.10 0.57 0.02 0.78 -0.95 0.00 0.00 178.83 179.34 2k9p h GLY 43 N 0.88 0.11 0.78 3.46 0.00 -0.91 0.52 103.07 107.91 2k9p h GLY 43 Ca 0.50 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.82 2k9p h GLY 43 CO -0.30 0.06 0.64 0.17 0.00 0.00 0.00 176.54 177.11 2k9p h LEU 44 N -0.10 1.02 0.00 3.11 8.10 -0.50 -2.41 115.31 124.53 2k9p h LEU 44 Ca 0.02 0.01 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 2k9p h LEU 44 Cb 0.22 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.21 2k9p h LEU 44 CO -0.00 0.65 -0.88 -0.37 -4.11 0.00 0.00 178.44 173.74 2k9p h VAL 45 N 1.15 0.70 -0.02 0.15 -1.51 -1.41 0.18 116.25 115.50 2k9p h VAL 45 Ca 0.42 -2.10 0.03 0.00 -1.23 0.00 0.00 66.70 63.82 2k9p h VAL 45 Cb 0.16 2.24 -0.04 0.00 -2.13 0.00 0.00 31.29 31.53 2k9p h VAL 45 CO -0.16 0.40 -0.17 -1.13 -1.23 0.00 0.00 177.57 175.28 2k9p h ASN 46 N 0.00 -0.50 0.00 4.19 -0.73 -0.37 -3.42 115.58 114.75 2k9p h ASN 46 Ca -0.06 0.08 -0.16 0.00 1.87 0.00 0.00 56.30 58.02 2k9p h ASN 46 Cb 1.45 0.22 -0.12 0.00 0.27 0.00 0.00 38.32 40.13 2k9p h ASN 46 CO 0.06 -0.23 -0.11 -0.24 -0.37 0.00 0.00 177.43 176.53 2k9p n SER 47 N -5.30 -1.58 0.00 1.15 2.88 -1.16 -4.98 113.62 104.62 2k9p n SER 47 Ca -0.05 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 2k9p n SER 47 Cb 0.22 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 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 -0.52 0.00 -0.01 2.46 -1.04 -0.75 -4.81 114.28 109.61 2k9p n THR 48 Ca -0.13 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 2k9p n THR 48 Cb 0.76 -0.68 -0.07 0.00 -1.82 0.00 0.00 70.33 68.52 2k9p n THR 48 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k9p h VAL 49 N 0.00 0.93 -0.90 12.58 2.07 -0.98 -3.26 116.25 126.70 2k9p h VAL 49 Ca 0.00 -1.50 0.19 0.00 0.82 0.00 0.00 66.70 66.22 2k9p h VAL 49 Cb 0.39 1.69 -0.11 0.00 -1.52 0.00 0.00 31.29 31.74 2k9p h VAL 49 CO 0.00 0.29 0.45 0.00 0.02 0.00 0.00 177.57 178.33 2k9p h THR 50 N -0.95 0.60 -0.63 2.57 1.03 -1.82 0.16 112.91 113.87 2k9p h THR 50 Ca -0.01 -0.18 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 2k9p h THR 50 Cb 0.54 0.02 -0.03 0.00 -1.07 0.00 0.00 68.15 67.61 2k9p h THR 50 CO 0.01 0.10 0.26 1.56 -0.01 0.00 0.00 175.52 177.44 2k9p h GLN 51 N 0.53 0.92 -0.33 0.00 4.20 -1.88 -3.03 115.11 115.52 2k9p h GLN 51 Ca 0.53 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 59.12 2k9p h GLN 51 Cb 0.91 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 2k9p h GLN 51 CO -0.45 0.74 0.17 0.00 -0.67 0.00 0.00 178.83 178.63 2k9p h ALA 52 N 1.38 0.41 0.37 3.87 0.00 -0.71 0.73 119.26 125.31 2k9p h ALA 52 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k9p h ALA 52 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k9p h ALA 52 CO -0.02 -0.20 -0.30 0.82 0.00 0.00 0.00 179.25 179.55 2k9p h ILE 53 N 0.35 0.37 -0.15 0.00 5.03 -1.46 -0.38 117.51 121.27 2k9p h ILE 53 Ca 0.14 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.91 2k9p h ILE 53 Cb 0.04 0.37 -0.04 0.00 -3.03 0.00 0.00 36.82 34.16 2k9p h ILE 53 CO -0.09 0.00 -0.09 -0.07 -0.68 0.00 0.00 178.15 177.22 2k9p h LEU 54 N -0.67 -0.30 0.01 1.44 3.38 -1.39 -0.82 115.31 116.96 2k9p h LEU 54 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2k9p h LEU 54 Cb 0.59 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2k9p h LEU 54 CO -0.02 -0.12 -0.16 0.15 0.09 0.00 0.00 178.44 178.38 2k9p h PHE 55 N -0.09 -0.41 -0.99 1.13 3.04 -0.80 -1.47 116.94 117.36 2k9p h PHE 55 Ca 0.09 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.13 2k9p h PHE 55 Cb 0.22 0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.84 2k9p h PHE 55 CO -0.23 -0.23 0.64 0.78 -2.02 0.00 0.00 178.31 177.25 2k9p h GLY 56 N -0.26 1.51 0.56 2.40 0.00 -0.72 0.30 103.07 106.86 2k9p h GLY 56 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2k9p h GLY 56 CO -0.15 0.31 -0.27 -2.08 0.00 0.00 0.00 176.54 174.36 2k9p h VAL 57 N 1.13 0.00 -0.85 4.60 2.07 -0.75 0.86 116.25 123.30 2k9p h VAL 57 Ca 0.43 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.91 2k9p h VAL 57 Cb 0.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 2k9p h VAL 57 CO -0.18 0.00 0.52 0.08 0.02 0.00 0.00 177.57 178.01 2k9p h ARG 58 N -0.87 0.89 -0.34 1.57 0.11 -1.23 -1.64 114.38 112.87 2k9p h ARG 58 Ca -0.08 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 2k9p h ARG 58 Cb 0.57 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 2k9p h ARG 58 CO 0.13 0.59 0.09 1.03 0.10 0.00 0.00 179.97 181.91 2k9p h SER 59 N 0.92 0.51 -0.12 0.08 0.87 -0.98 -0.50 113.55 114.34 2k9p h SER 59 Ca 0.39 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2k9p h SER 59 Cb 0.24 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2k9p h SER 59 CO -0.20 0.60 -0.03 1.23 -0.53 0.00 0.00 176.83 177.91 2k9p h GLY 60 N 0.40 0.08 0.78 5.77 0.00 -0.21 0.27 103.07 110.16 2k9p h GLY 60 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 2k9p h GLY 60 CO -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 176.54 176.39 2k9p h ALA 61 N 1.12 -0.28 -0.96 3.60 0.00 -1.27 -0.47 119.26 120.99 2k9p h ALA 61 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k9p h ALA 61 Cb 0.08 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2k9p h ALA 61 CO -0.12 -0.55 0.63 0.00 0.00 0.00 0.00 179.25 179.21 2k9p h ALA 62 N 0.23 1.40 -0.03 0.00 0.00 -1.04 -2.02 119.26 117.80 2k9p h ALA 62 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k9p h ALA 62 Cb 0.38 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k9p h ALA 62 CO 0.05 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2k9p h ALA 63 N 1.45 0.03 -0.08 0.00 0.00 -0.40 -2.45 119.26 117.81 2k9p h ALA 63 Ca 0.39 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2k9p h ALA 63 Cb 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2k9p h ALA 63 CO -0.13 -0.31 -0.47 1.25 0.00 0.00 0.00 179.25 179.59 2k9p h LEU 64 N -0.24 -1.47 -0.93 0.00 6.46 -0.75 -1.02 115.31 117.36 2k9p h LEU 64 Ca 0.01 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 2k9p h LEU 64 Cb 0.31 0.58 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 2k9p h LEU 64 CO 0.00 -0.47 0.59 0.00 -0.62 0.00 0.00 178.44 177.94 2k9p h THR 65 N -0.56 1.04 -0.71 1.05 1.03 -1.43 -1.49 112.91 111.82 2k9p h THR 65 Ca 0.05 -0.36 0.07 0.00 -0.01 0.00 0.00 66.41 66.16 2k9p h THR 65 Cb 0.67 -0.10 -0.06 0.00 -1.07 0.00 0.00 68.15 67.58 2k9p h THR 65 CO -0.39 0.19 0.40 0.17 -0.01 0.00 0.00 175.52 175.88 2k9p h LEU 66 N 1.05 0.58 -0.20 0.00 8.10 -0.87 -1.13 115.31 122.83 2k9p h LEU 66 Ca 0.42 0.04 -0.04 0.00 0.11 0.00 0.00 57.88 58.40 2k9p h LEU 66 Cb 0.22 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2k9p h LEU 66 CO -0.19 0.36 -0.02 0.40 -4.11 0.00 0.00 178.44 174.88 2k9p h ILE 67 N 0.71 1.27 0.24 0.15 2.04 -0.21 0.99 117.51 122.70 2k9p h ILE 67 Ca 0.33 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2k9p h ILE 67 Cb 0.24 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2k9p h ILE 67 CO -0.20 0.29 -0.20 0.58 0.00 0.00 0.00 178.15 178.62 2k9p h VAL 68 N 0.11 0.58 -0.59 1.67 2.07 -1.09 -0.60 116.25 118.40 2k9p h VAL 68 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2k9p h VAL 68 Cb 0.44 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2k9p h VAL 68 CO 0.01 0.00 0.37 1.62 0.02 0.00 0.00 177.57 179.59 2k9p h VAL 69 N -0.45 1.09 -0.96 2.57 3.04 -1.20 -1.60 116.25 118.74 2k9p h VAL 69 Ca -0.01 -0.25 0.01 0.00 -1.01 0.00 0.00 66.70 65.43 2k9p h VAL 69 Cb 0.40 0.29 -0.05 0.00 -2.01 0.00 0.00 31.29 29.93 2k9p h VAL 69 CO -0.02 0.13 0.62 -0.25 -1.01 0.00 0.00 177.57 177.04 2k9p h TRP 70 N 0.73 1.22 0.68 3.17 7.01 -0.42 0.18 115.95 128.51 2k9p h TRP 70 Ca 0.23 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 2k9p h TRP 70 Cb -0.00 -0.41 0.01 0.00 -2.10 0.00 0.00 29.16 26.66 2k9p h TRP 70 CO -0.05 0.78 -0.33 0.82 -2.79 0.00 0.00 178.44 176.87 2k9p h ILE 71 N 1.31 0.00 -0.56 2.65 2.04 -0.87 -0.81 117.51 121.27 2k9p h ILE 71 Ca 0.35 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 2k9p h ILE 71 Cb -0.13 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 2k9p h ILE 71 CO -0.07 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.22 2k9p h THR 72 N -1.15 1.24 -0.00 -0.27 1.03 -1.16 -2.34 112.91 110.27 2k9p h THR 72 Ca -0.09 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 2k9p h THR 72 Cb 0.70 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 2k9p h THR 72 CO 0.15 0.32 -0.04 -1.20 -0.01 0.00 0.00 175.52 174.74 2k9p n SER 73 N -4.41 0.18 -4.11 0.00 7.64 0.61 -4.95 113.62 108.58 2k9p n SER 73 Ca 0.02 -0.38 -0.30 0.00 1.01 0.00 0.00 58.87 59.22 2k9p n SER 73 Cb 0.23 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2k9p n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k9p n ARG 74 N -1.14 -2.90 -1.74 1.43 5.12 -0.41 -4.87 116.66 112.16 2k9p n ARG 74 Ca 0.15 0.35 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 2k9p n ARG 74 Cb 0.24 -4.62 -0.01 0.00 -1.16 0.00 0.00 32.46 26.92 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 -2.84 3.38 -0.00 0.55 7.64 -0.58 -4.93 113.62 116.84 2k9p n SER 75 Ca -0.17 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2k9p n SER 75 Cb 0.61 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 0.86 1.67 -3.22 1.43 0.63 -1.26 -4.90 116.66 111.87 2k9p n ARG 76 Ca 0.04 -1.07 -0.22 0.00 -0.92 0.00 0.00 57.85 55.68 2k9p n ARG 76 Cb 0.37 -0.78 -0.07 0.00 0.45 0.00 0.00 32.46 32.43 2k9p n ARG 76 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k9p n LYS 77 N -0.29 0.40 -4.40 -0.14 0.00 -1.26 -5.13 118.16 107.35 2k9p n LYS 77 Ca 0.00 -2.95 -0.28 0.00 -0.00 0.00 0.00 58.31 55.08 2k9p n LYS 77 Cb 0.36 -1.51 -0.12 0.00 -0.00 0.00 0.00 35.03 33.76 2k9p n LYS 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2k9p s THR 78 N -0.13 2.28 0.05 0.58 -4.23 -1.26 -5.11 115.64 107.82 2k9p s THR 78 Ca 0.33 -1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 58.66 2k9p s THR 78 Cb 0.08 -2.04 -0.07 0.00 1.34 0.00 0.00 72.50 71.81 2k9p s THR 78 CO -0.16 -0.01 1.49 -2.16 -0.54 0.00 0.00 174.62 173.24 2k9p s PRO 79 N -2.33 4.26 0.33 3.99 0.04 -1.26 -4.92 135.00 135.11 2k9p s PRO 79 Ca 0.17 2.12 0.11 0.00 0.04 0.00 0.00 61.00 63.44 2k9p s PRO 79 Cb -0.09 -3.50 0.92 0.00 0.04 0.00 0.00 34.50 31.87 2k9p s PRO 79 CO 0.08 -0.60 1.74 -0.84 0.04 0.00 0.00 177.00 177.41 2k9p h ILE 80 N 4.71 0.54 -0.64 0.56 3.07 -1.99 -1.25 117.51 122.50 2k9p h ILE 80 Ca -0.40 -0.19 0.06 0.00 1.55 0.00 0.00 64.86 65.87 2k9p h ILE 80 Cb 1.19 -0.07 -0.05 0.00 -0.27 0.00 0.00 36.82 37.62 2k9p h ILE 80 CO 0.90 0.10 0.35 0.15 -1.05 0.00 0.00 178.15 178.61 2k9p h PHE 81 N 0.55 0.65 0.86 0.16 3.04 -1.99 0.68 116.94 120.90 2k9p h PHE 81 Ca 0.64 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.57 2k9p h PHE 81 Cb 1.27 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 39.59 2k9p h PHE 81 CO -0.01 0.31 -0.41 0.82 -2.02 0.00 0.00 178.31 177.00 2k9p h ILE 82 N 0.66 0.07 -0.88 1.41 1.08 -1.63 -1.46 117.51 116.76 2k9p h ILE 82 Ca 0.29 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.72 2k9p h ILE 82 Cb 0.18 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 33.95 2k9p h ILE 82 CO -0.18 0.00 0.55 0.40 -0.69 0.00 0.00 178.15 178.23 2k9p h ILE 83 N -1.25 1.04 0.10 -0.67 1.08 -1.22 -0.45 117.51 116.14 2k9p h ILE 83 Ca -0.12 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2k9p h ILE 83 Cb 0.89 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2k9p h ILE 83 CO 0.19 0.18 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.66 2k9p h ASN 84 N 0.99 -0.11 -0.60 1.72 -1.24 -0.90 -1.93 115.58 113.52 2k9p h ASN 84 Ca 0.38 -0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.46 2k9p h ASN 84 Cb 0.18 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.18 2k9p h ASN 84 CO -0.18 -0.04 0.21 1.56 -1.29 0.00 0.00 177.43 177.69 2k9p h GLN 85 N -0.17 0.37 0.44 6.67 1.08 -0.52 -1.41 115.11 121.57 2k9p h GLN 85 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2k9p h GLN 85 Cb 0.14 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2k9p h GLN 85 CO 0.02 0.24 -0.49 0.28 -0.95 0.00 0.00 178.83 177.94 2k9p h VAL 86 N 0.38 0.05 0.02 -0.54 2.07 -0.89 -0.75 116.25 116.59 2k9p h VAL 86 Ca 0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.85 2k9p h VAL 86 Cb 0.39 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2k9p h VAL 86 CO -0.32 0.00 -0.19 -1.28 0.02 0.00 0.00 177.57 175.80 2k9p h SER 87 N -0.94 -0.56 -0.51 0.57 0.87 -1.09 -2.24 113.55 109.65 2k9p h SER 87 Ca -0.05 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2k9p h SER 87 Cb 0.84 0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.93 2k9p h SER 87 CO -0.09 -0.26 -0.12 -0.07 -0.53 0.00 0.00 176.83 175.76 2k9p h LEU 88 N -0.32 -0.46 -0.60 2.23 3.38 -1.22 -2.09 115.31 116.22 2k9p h LEU 88 Ca 0.05 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.25 2k9p h LEU 88 Cb 0.39 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2k9p h LEU 88 CO -0.17 -0.16 0.25 -0.26 0.09 0.00 0.00 178.44 178.19 2k9p h PHE 89 N 0.00 0.45 -0.95 1.13 0.04 -0.71 -1.67 116.94 115.23 2k9p h PHE 89 Ca 0.24 0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.11 2k9p h PHE 89 Cb 0.37 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.35 2k9p h PHE 89 CO -0.43 0.15 0.62 -0.07 -0.60 0.00 0.00 178.31 177.98 2k9p h LEU 90 N 0.46 0.96 0.04 1.54 3.38 -0.81 -1.50 115.31 119.39 2k9p h LEU 90 Ca 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2k9p h LEU 90 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k9p h LEU 90 CO -0.26 0.61 -0.02 0.40 0.09 0.00 0.00 178.44 179.25 2k9p h ILE 91 N 1.09 1.20 -0.53 1.22 1.08 -1.00 -0.13 117.51 120.44 2k9p h ILE 91 Ca 0.42 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 2k9p h ILE 91 Cb 0.21 1.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.64 2k9p h ILE 91 CO -0.16 0.21 0.18 0.40 -0.69 0.00 0.00 178.15 178.08 2k9p h ILE 92 N -0.42 0.80 0.22 -0.67 2.04 -1.10 0.11 117.51 118.49 2k9p h ILE 92 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2k9p h ILE 92 Cb 0.38 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2k9p h ILE 92 CO 0.01 0.06 -0.20 0.25 0.00 0.00 0.00 178.15 178.28 2k9p h LEU 93 N 0.35 -0.51 0.13 1.44 5.85 -1.26 -0.53 115.31 120.78 2k9p h LEU 93 Ca 0.26 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2k9p h LEU 93 Cb 0.30 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2k9p h LEU 93 CO -0.27 -0.30 -0.20 -0.74 -0.34 0.00 0.00 178.44 176.59 2k9p h HIS 94 N -0.43 -0.53 -0.19 1.25 2.76 -0.17 0.14 115.15 117.97 2k9p h HIS 94 Ca -0.01 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k9p h HIS 94 Cb 0.40 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2k9p h HIS 94 CO -0.14 -0.29 0.11 0.77 -1.30 0.00 0.00 177.93 177.08 2k9p h SER 95 N -0.39 0.23 -0.76 3.26 0.02 -0.84 -1.10 113.55 113.96 2k9p h SER 95 Ca 0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2k9p h SER 95 Cb 0.40 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2k9p h SER 95 CO -0.10 0.22 0.43 0.00 -1.14 0.00 0.00 176.83 176.24 2k9p h ALA 96 N 1.02 0.98 0.78 3.77 0.00 -0.98 -0.83 119.26 124.00 2k9p h ALA 96 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k9p h ALA 96 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k9p h ALA 96 CO -0.01 0.48 -0.49 -0.07 0.00 0.00 0.00 179.25 179.16 2k9p h LEU 97 N 1.06 -1.26 -0.31 0.00 3.38 -0.53 -0.88 115.31 116.78 2k9p h LEU 97 Ca 0.27 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.34 2k9p h LEU 97 Cb 0.02 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2k9p h LEU 97 CO -0.04 -0.75 0.11 0.22 0.09 0.00 0.00 178.44 178.07 2k9p h TYR 98 N -1.20 0.21 -0.11 1.13 5.03 -1.12 0.17 116.97 121.08 2k9p h TYR 98 Ca -0.10 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.26 2k9p h TYR 98 Cb 0.97 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.16 2k9p h TYR 98 CO -0.12 0.10 -0.12 0.35 -1.32 0.00 0.00 178.16 177.05 2k9p h PHE 99 N 0.25 -0.30 -0.68 -3.82 3.57 -1.15 -0.32 116.94 114.49 2k9p h PHE 99 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2k9p h PHE 99 Cb 0.10 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2k9p h PHE 99 CO -0.13 -0.18 0.27 0.87 -2.23 0.00 0.00 178.31 176.90 2k9p h LYS 100 N -0.15 1.01 -0.79 1.11 1.57 -0.88 -1.28 116.57 117.16 2k9p h LYS 100 Ca 0.08 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2k9p h LYS 100 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2k9p h LYS 100 CO -0.20 0.85 0.52 -0.92 -0.57 0.00 0.00 179.45 179.13 2k9p h TYR 101 N 0.96 1.00 0.10 -1.35 5.03 -0.28 0.23 116.97 122.66 2k9p h TYR 101 Ca 0.22 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 2k9p h TYR 101 Cb 0.22 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.16 2k9p h TYR 101 CO 0.01 0.63 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.37 2k9p h LEU 102 N 1.07 -0.12 -1.51 2.82 3.38 -0.81 -3.26 115.31 116.89 2k9p h LEU 102 Ca 0.29 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2k9p h LEU 102 Cb -0.12 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2k9p h LEU 102 CO -0.06 0.29 -0.11 0.17 0.09 0.00 0.00 178.44 178.82 2k9p h LEU 103 N -0.55 0.18 -0.43 1.67 8.10 -0.97 -3.09 115.31 120.21 2k9p h LEU 103 Ca -0.01 -0.03 0.08 0.00 0.11 0.00 0.00 57.88 58.03 2k9p h LEU 103 Cb 0.45 -0.05 -0.07 0.00 -0.44 0.00 0.00 40.66 40.55 2k9p h LEU 103 CO 0.02 0.31 -0.02 -1.28 -4.11 0.00 0.00 178.44 173.36 2k9p h SER 104 N 0.18 -0.23 -0.82 0.17 0.87 -0.60 -2.23 113.55 110.89 2k9p h SER 104 Ca 0.04 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2k9p h SER 104 Cb 0.31 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2k9p h SER 104 CO 0.02 -0.07 0.38 -1.13 -0.53 0.00 0.00 176.83 175.49 2k9p h ASN 105 N 0.08 1.09 -0.17 6.23 -0.73 -1.62 -1.92 115.58 118.54 2k9p h ASN 105 Ca 0.21 -0.14 0.05 0.00 1.87 0.00 0.00 56.30 58.29 2k9p h ASN 105 Cb 0.32 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 2k9p h ASN 105 CO -0.38 0.93 0.15 1.88 -0.37 0.00 0.00 177.43 179.64 2k9p h TYR 106 N 1.17 0.00 -1.64 0.67 0.05 -1.50 -3.11 116.97 112.61 2k9p h TYR 106 Ca 0.28 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.57 2k9p h TYR 106 Cb 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.47 2k9p h TYR 106 CO 0.02 0.00 -0.99 0.45 -1.05 0.00 0.00 178.16 176.58 2k9p n SER 107 N -4.13 2.53 -4.74 3.88 2.88 -0.79 -5.09 113.62 108.16 2k9p n SER 107 Ca 0.01 -3.20 -0.35 0.00 -1.33 0.00 0.00 58.87 54.01 2k9p n SER 107 Cb 0.28 -0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 63.11 2k9p n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k9p s SER 108 N -3.08 5.56 -0.26 -3.46 1.04 -0.81 -4.92 113.70 107.77 2k9p s SER 108 Ca 0.39 0.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.02 2k9p s SER 108 Cb 0.38 -1.62 0.14 0.00 0.10 0.00 0.00 66.02 65.02 2k9p s SER 108 CO -0.08 0.36 0.39 0.68 0.98 0.00 0.00 173.24 175.57 2k9p s VAL 109 N -0.98 -0.61 -2.00 5.02 -7.23 -1.26 -5.07 120.40 108.26 2k9p s VAL 109 Ca 0.16 -0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2k9p s VAL 109 Cb -0.12 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.97 2k9p s VAL 109 CO 0.05 -0.18 0.54 1.07 -0.31 0.00 0.00 175.10 176.27