#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r n ASN 9 N 0.00 0.31 -3.47 0.55 3.02 -1.26 -4.96 115.26 109.45 2x9r n ASN 9 Ca 0.00 0.78 -0.22 0.00 -0.03 0.00 0.00 54.58 55.11 2x9r n ASN 9 Cb 0.00 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.44 2x9r n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2x9r s LEU 10 N 0.77 0.07 0.00 3.41 0.20 -1.26 -5.04 118.68 116.84 2x9r s LEU 10 Ca 0.64 -0.85 0.00 0.00 0.69 0.00 0.00 54.13 54.61 2x9r s LEU 10 Cb -0.91 0.16 0.00 0.00 -0.43 0.00 0.00 46.19 45.01 2x9r s LEU 10 CO 0.44 -0.40 0.00 -1.20 -0.29 0.00 0.00 176.35 174.91 2x9r n SER 11 N 5.29 0.00 -0.01 3.68 7.64 -1.26 -3.08 113.62 125.88 2x9r n SER 11 Ca -0.04 -0.07 0.13 0.00 1.01 0.00 0.00 58.87 59.90 2x9r n SER 11 Cb 0.45 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 64.16 2x9r n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x9r n ALA 12 N 0.86 2.75 -0.01 -0.43 0.00 -1.26 -3.23 120.51 119.19 2x9r n ALA 12 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.36 2x9r n ALA 12 Cb 0.00 -1.35 0.53 0.00 0.00 0.00 0.00 19.45 18.62 2x9r n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9r h LEU 13 N 0.04 0.30 -0.77 0.00 4.07 -1.99 -0.40 115.31 116.55 2x9r h LEU 13 Ca 0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.08 2x9r h LEU 13 Cb 0.48 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.08 2x9r h LEU 13 CO 0.00 0.19 0.39 0.50 -1.08 0.00 0.00 178.44 178.44 2x9r h LYS 14 N 0.34 0.61 -0.58 1.13 3.64 -1.88 0.00 116.57 119.82 2x9r h LYS 14 Ca 0.21 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2x9r h LYS 14 Cb 0.41 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2x9r h LYS 14 CO -0.05 0.40 0.29 0.00 -2.27 0.00 0.00 179.45 177.82 2x9r h ARG 15 N 0.62 0.82 0.30 1.90 2.47 -1.31 0.16 114.38 119.34 2x9r h ARG 15 Ca 0.40 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 2x9r h ARG 15 Cb 0.47 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2x9r h ARG 15 CO -0.31 0.63 -0.15 1.25 0.56 0.00 0.00 179.97 181.96 2x9r h HIS 16 N 0.82 -0.38 -0.82 3.04 2.76 -1.05 0.13 115.15 119.65 2x9r h HIS 16 Ca 0.21 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.53 2x9r h HIS 16 Cb 0.07 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.06 2x9r h HIS 16 CO 0.01 -0.04 0.37 0.00 -1.30 0.00 0.00 177.93 176.98 2x9r h ARG 17 N -0.93 0.49 -0.10 5.26 3.08 -1.11 0.15 114.38 121.22 2x9r h ARG 17 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2x9r h ARG 17 Cb 0.51 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2x9r h ARG 17 CO 0.07 0.32 0.00 0.37 -1.07 0.00 0.00 179.97 179.67 2x9r h GLN 18 N 0.51 0.17 -0.51 0.04 4.15 -0.97 -2.85 115.11 115.64 2x9r h GLN 18 Ca 0.47 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.94 2x9r h GLN 18 Cb 0.73 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.32 2x9r h GLN 18 CO -0.42 0.41 -0.03 1.03 -1.93 0.00 0.00 178.83 177.89 2x9r h SER 19 N -0.10 -0.28 0.04 -0.69 0.87 0.18 -0.55 113.55 113.02 2x9r h SER 19 Ca 0.03 0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2x9r h SER 19 Cb 0.33 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2x9r h SER 19 CO 0.00 -0.10 -0.20 -0.07 -0.53 0.00 0.00 176.83 175.93 2x9r h LEU 20 N 0.08 -0.58 -1.17 2.23 3.38 -0.86 0.65 115.31 119.05 2x9r h LEU 20 Ca 0.25 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.40 2x9r h LEU 20 Cb 0.39 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2x9r h LEU 20 CO -0.45 -0.28 0.59 0.11 0.09 0.00 0.00 178.44 178.50 2x9r h LYS 21 N -0.35 0.87 0.39 1.13 1.57 -1.16 -1.02 116.57 118.01 2x9r h LYS 21 Ca 0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2x9r h LYS 21 Cb 0.40 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2x9r h LYS 21 CO -0.16 0.58 -0.19 0.00 -0.57 0.00 0.00 179.45 179.11 2x9r h ARG 22 N 0.90 -0.50 -0.97 3.15 3.08 -0.25 -2.90 114.38 116.89 2x9r h ARG 22 Ca 0.43 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.75 2x9r h ARG 22 Cb 0.43 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 30.42 2x9r h ARG 22 CO -0.19 -0.22 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.34 2x9r h ARG 23 N -1.03 0.01 0.30 0.04 2.43 0.66 0.31 114.38 117.10 2x9r h ARG 23 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2x9r h ARG 23 Cb 0.52 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2x9r h ARG 23 CO 0.09 0.01 -0.37 1.25 -1.51 0.00 0.00 179.97 179.44 2x9r h LEU 24 N 0.01 -1.02 0.00 3.80 7.12 -1.21 -1.80 115.31 122.22 2x9r h LEU 24 Ca 0.54 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.65 2x9r h LEU 24 Cb 1.02 0.35 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 2x9r h LEU 24 CO -0.93 -0.49 0.00 -1.14 -0.13 0.00 0.00 178.44 175.75 2x9r n ARG 25 N -5.46 0.00 0.21 1.25 0.63 0.08 -1.84 116.66 111.53 2x9r n ARG 25 Ca -0.09 0.24 0.07 0.00 -0.92 0.00 0.00 57.85 57.15 2x9r n ARG 25 Cb 0.37 -0.88 0.40 0.00 0.45 0.00 0.00 32.46 32.80 2x9r n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2x9r h ASN 26 N 0.00 0.00 -0.17 6.15 -0.00 -1.64 0.76 115.58 120.68 2x9r h ASN 26 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 2x9r h ASN 26 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2x9r h ASN 26 CO 0.00 0.00 -0.01 0.50 -0.00 0.00 0.00 177.43 177.92 2x9r h LYS 27 N 0.00 0.31 0.00 4.14 3.11 -0.55 -2.57 116.57 121.01 2x9r h LYS 27 Ca 0.00 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2x9r h LYS 27 Cb 0.77 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 2x9r h LYS 27 CO 0.00 0.55 0.00 0.00 -2.81 0.00 0.00 179.45 177.19 2x9r n ALA 28 N -2.33 -0.01 -0.59 5.00 0.00 0.26 -1.33 120.51 121.52 2x9r n ALA 28 Ca -0.05 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.86 2x9r n ALA 28 Cb 0.24 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.44 2x9r n ALA 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2x9r h LYS 29 N 0.00 0.00 0.39 0.00 2.10 -1.69 0.90 116.57 118.27 2x9r h LYS 29 Ca 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2x9r h LYS 29 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2x9r h LYS 29 CO 0.00 0.00 -0.19 -0.22 -2.00 0.00 0.00 179.45 177.04 2x9r h LYS 30 N 0.00 -0.51 -0.54 0.07 1.63 -1.41 -1.07 116.57 114.75 2x9r h LYS 30 Ca 0.92 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.75 2x9r h LYS 30 Cb 3.30 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 35.02 2x9r h LYS 30 CO -0.26 -0.20 0.34 0.66 -3.45 0.00 0.00 179.45 176.54 2x9r h SER 31 N -0.84 0.63 -0.84 4.20 4.64 0.19 -1.63 113.55 119.90 2x9r h SER 31 Ca -0.05 -0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.40 2x9r h SER 31 Cb 0.54 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 2x9r h SER 31 CO 0.09 0.48 0.55 0.00 -0.87 0.00 0.00 176.83 177.08 2x9r h ALA 32 N 1.18 2.08 -0.11 5.18 0.00 -0.43 -2.49 119.26 124.68 2x9r h ALA 32 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x9r h ALA 32 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x9r h ALA 32 CO -0.04 -0.33 0.00 -0.89 0.00 0.00 0.00 179.25 178.00 2x9r n ILE 33 N -4.51 0.00 -0.24 0.00 5.41 -0.41 -2.66 119.36 116.95 2x9r n ILE 33 Ca 0.17 1.48 0.23 0.00 1.00 0.00 0.00 62.75 65.63 2x9r n ILE 33 Cb 0.58 -2.44 0.42 0.00 -0.71 0.00 0.00 39.64 37.49 2x9r n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2x9r n LYS 34 N -2.03 -0.04 0.36 0.38 5.02 -0.96 -0.38 118.16 120.52 2x9r n LYS 34 Ca 0.00 0.93 -0.15 0.00 -2.02 0.00 0.00 58.31 57.08 2x9r n LYS 34 Cb 0.00 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 2x9r n LYS 34 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2x9r h THR 35 N 0.00 0.00 -0.94 -0.18 2.02 -1.27 0.59 112.91 113.14 2x9r h THR 35 Ca 0.59 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.83 2x9r h THR 35 Cb 1.64 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 2x9r h THR 35 CO -0.49 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.95 2x9r h LEU 36 N -0.94 0.97 0.37 2.58 -0.00 -0.60 0.79 115.31 118.49 2x9r h LEU 36 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2x9r h LEU 36 Cb 0.73 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2x9r h LEU 36 CO 0.14 0.64 -0.50 0.28 -0.00 0.00 0.00 178.44 179.00 2x9r h SER 37 N 1.11 -1.40 0.43 -0.43 0.02 -0.79 0.72 113.55 113.20 2x9r h SER 37 Ca 0.39 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 2x9r h SER 37 Cb 0.13 0.48 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2x9r h SER 37 CO -0.14 -0.61 -0.27 0.11 -1.14 0.00 0.00 176.83 174.78 2x9r h LYS 38 N -0.90 -0.64 -0.87 3.45 1.57 0.85 -2.57 116.57 117.46 2x9r h LYS 38 Ca -0.04 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 2x9r h LYS 38 Cb 0.81 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 2x9r h LYS 38 CO -0.13 -0.43 0.29 -0.22 -0.57 0.00 0.00 179.45 178.39 2x9r h LYS 39 N -0.67 0.28 0.51 3.15 3.64 0.79 0.22 116.57 124.50 2x9r h LYS 39 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2x9r h LYS 39 Cb 0.55 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2x9r h LYS 39 CO 0.04 0.18 -0.30 0.00 -2.27 0.00 0.00 179.45 177.11 2x9r h ALA 40 N 1.73 -1.15 -0.26 5.00 0.00 0.83 -2.32 119.26 123.09 2x9r h ALA 40 Ca 0.54 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2x9r h ALA 40 Cb 1.05 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2x9r h ALA 40 CO -0.59 -1.12 0.23 -0.84 0.00 0.00 0.00 179.25 176.93 2x9r h ILE 41 N -0.75 0.63 -0.68 0.00 3.07 -1.06 -0.15 117.51 118.57 2x9r h ILE 41 Ca -0.07 0.00 0.09 0.00 1.55 0.00 0.00 64.86 66.43 2x9r h ILE 41 Cb 0.60 0.83 -0.07 0.00 -0.27 0.00 0.00 36.82 37.90 2x9r h ILE 41 CO 0.08 0.00 0.31 -0.61 -1.05 0.00 0.00 178.15 176.89 2x9r h GLN 42 N 0.00 0.52 -0.00 0.16 5.75 -0.03 0.10 115.11 121.61 2x9r h GLN 42 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2x9r h GLN 42 Cb 0.58 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2x9r h GLN 42 CO -0.00 0.35 -0.00 1.28 -2.65 0.00 0.00 178.83 177.80 2x9r n LEU 43 N -4.91 0.42 0.00 -2.39 4.77 -0.08 -3.98 117.00 110.83 2x9r n LEU 43 Ca 0.10 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2x9r n LEU 43 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2x9r n LEU 43 CO 0.24 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.37 2x9r n ALA 44 N -0.69 0.00 0.08 -1.18 0.00 0.35 -1.99 120.51 117.08 2x9r n ALA 44 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2x9r n ALA 44 Cb 0.18 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.89 2x9r n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9r n GLN 45 N -1.76 0.06 0.13 0.00 0.00 -1.19 0.35 117.38 114.97 2x9r n GLN 45 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 57.00 57.58 2x9r n GLN 45 Cb 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 30.24 28.50 2x9r n GLN 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2x9r h GLU 46 N 0.00 0.00 0.00 2.61 4.81 -1.69 -3.48 114.58 116.82 2x9r h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x9r h GLU 46 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2x9r h GLU 46 CO 0.00 0.29 0.00 0.41 -0.73 0.00 0.00 179.01 178.98 2x9r n GLY 47 N 1.22 3.19 3.52 1.92 0.00 0.15 -5.06 105.19 110.14 2x9r n GLY 47 Ca 0.00 -1.07 -0.62 0.00 0.00 0.00 0.00 46.02 44.33 2x9r n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x9r n LYS 48 N 0.00 0.20 -0.03 1.61 4.76 -0.84 -4.83 118.16 119.03 2x9r n LYS 48 Ca 0.00 0.07 -0.05 0.00 -2.87 0.00 0.00 58.31 55.46 2x9r n LYS 48 Cb 0.00 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 2x9r n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x9r n ALA 49 N 5.97 1.45 -0.02 7.82 0.00 -1.26 -4.06 120.51 130.41 2x9r n ALA 49 Ca 0.41 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 2x9r n ALA 49 Cb -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2x9r n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2x9r h GLU 50 N -0.51 -0.14 -0.23 0.00 4.81 -1.93 0.14 114.58 116.72 2x9r h GLU 50 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x9r h GLU 50 Cb 0.51 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2x9r h GLU 50 CO 0.00 -0.09 0.12 1.05 -0.73 0.00 0.00 179.01 179.36 2x9r h GLU 51 N -0.14 0.31 -0.03 1.92 4.11 -1.99 -2.11 114.58 116.66 2x9r h GLU 51 Ca 0.01 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.45 2x9r h GLU 51 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2x9r h GLU 51 CO -0.14 0.24 -0.15 0.00 0.07 0.00 0.00 179.01 179.03 2x9r h ALA 52 N 1.82 -0.16 0.00 1.06 0.00 -1.32 -1.22 119.26 119.44 2x9r h ALA 52 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2x9r h ALA 52 Cb 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2x9r h ALA 52 CO -0.01 -0.64 -0.18 -0.07 0.00 0.00 0.00 179.25 178.35 2x9r h LEU 53 N -0.24 0.00 -1.27 0.00 3.38 -0.33 -2.26 115.31 114.60 2x9r h LEU 53 Ca 0.06 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2x9r h LEU 53 Cb 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2x9r h LEU 53 CO -0.17 0.18 0.54 0.50 0.09 0.00 0.00 178.44 179.58 2x9r h LYS 54 N 0.00 0.84 0.18 1.13 3.64 -0.57 0.95 116.57 122.74 2x9r h LYS 54 Ca -0.00 -0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 58.99 2x9r h LYS 54 Cb 0.59 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2x9r h LYS 54 CO 0.02 0.55 -1.69 0.82 -2.27 0.00 0.00 179.45 176.88 2x9r h ILE 55 N 0.86 0.95 -0.63 2.00 1.08 -1.23 -2.56 117.51 117.98 2x9r h ILE 55 Ca 0.36 -2.49 0.15 0.00 -0.39 0.00 0.00 64.86 62.50 2x9r h ILE 55 Cb 0.30 2.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.77 2x9r h ILE 55 CO -0.14 0.83 0.44 -0.03 -0.69 0.00 0.00 178.15 178.56 2x9r h MET 56 N 0.03 0.17 0.10 2.37 4.05 -1.00 1.25 114.93 121.90 2x9r h MET 56 Ca -0.34 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.07 2x9r h MET 56 Cb 2.04 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 2x9r h MET 56 CO 0.16 0.11 -0.05 -0.09 0.23 0.00 0.00 176.91 177.27 2x9r h ARG 57 N 0.18 -0.13 -0.44 0.39 2.43 -0.88 -2.05 114.38 113.88 2x9r h ARG 57 Ca 0.30 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 2x9r h ARG 57 Cb 0.95 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2x9r h ARG 57 CO -0.05 -0.09 0.71 -0.22 -1.51 0.00 0.00 179.97 178.81 2x9r h LYS 58 N -0.25 0.00 0.22 0.20 1.63 -0.88 0.25 116.57 117.73 2x9r h LYS 58 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2x9r h LYS 58 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2x9r h LYS 58 CO 0.02 0.00 -0.10 0.00 -3.45 0.00 0.00 179.45 175.92 2x9r h ALA 59 N 0.99 -0.29 -0.62 5.00 0.00 0.16 -3.12 119.26 121.37 2x9r h ALA 59 Ca 0.21 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2x9r h ALA 59 Cb 1.63 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 2x9r h ALA 59 CO -0.00 -0.32 -0.11 1.49 0.00 0.00 0.00 179.25 180.30 2x9r h GLU 60 N -0.97 0.03 -0.83 0.00 4.81 0.18 -1.12 114.58 116.68 2x9r h GLU 60 Ca -0.03 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2x9r h GLU 60 Cb 0.45 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.71 2x9r h GLU 60 CO 0.05 0.02 -0.58 1.03 -0.73 0.00 0.00 179.01 178.80 2x9r h SER 61 N 0.03 -2.08 -0.81 1.04 0.87 -1.22 -0.69 113.55 110.69 2x9r h SER 61 Ca 0.31 0.31 0.06 0.00 -1.23 0.00 0.00 61.79 61.23 2x9r h SER 61 Cb 0.48 0.90 -0.06 0.00 -0.44 0.00 0.00 62.40 63.28 2x9r h SER 61 CO -0.61 -0.28 0.50 -0.07 -0.53 0.00 0.00 176.83 175.84 2x9r h LEU 62 N -0.11 0.77 0.01 2.23 3.38 -1.16 -1.88 115.31 118.55 2x9r h LEU 62 Ca 0.14 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2x9r h LEU 62 Cb 0.46 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2x9r h LEU 62 CO -0.84 0.50 -0.08 0.40 0.09 0.00 0.00 178.44 178.51 2x9r h ILE 63 N 0.91 0.81 -0.89 1.22 2.04 -0.59 0.24 117.51 121.25 2x9r h ILE 63 Ca 0.35 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.24 2x9r h ILE 63 Cb 0.17 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2x9r h ILE 63 CO -0.17 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.00 2x9r h ASP 64 N -0.14 0.97 0.15 1.72 5.19 -0.94 -0.24 116.42 123.14 2x9r h ASP 64 Ca 0.03 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 2x9r h ASP 64 Cb 0.17 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2x9r h ASP 64 CO -0.07 0.68 -0.24 0.11 -3.12 0.00 0.00 179.24 176.60 2x9r h LYS 65 N 1.14 0.18 -0.18 3.56 1.57 -0.98 -2.54 116.57 119.32 2x9r h LYS 65 Ca 0.34 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2x9r h LYS 65 Cb -0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2x9r h LYS 65 CO -0.10 0.42 -0.08 0.00 -0.57 0.00 0.00 179.45 179.12 2x9r h ALA 66 N 1.59 0.25 -0.86 3.86 0.00 0.27 -3.06 119.26 121.31 2x9r h ALA 66 Ca 0.03 -0.27 0.23 0.00 0.00 0.00 0.00 54.91 54.89 2x9r h ALA 66 Cb 0.53 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2x9r h ALA 66 CO 0.04 0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.94 2x9r h ALA 67 N 0.69 2.59 -0.86 0.00 0.00 -0.67 0.78 119.26 121.80 2x9r h ALA 67 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2x9r h ALA 67 Cb 0.55 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2x9r h ALA 67 CO 0.02 -0.85 0.41 0.87 0.00 0.00 0.00 179.25 179.71 2x9r h LYS 68 N 0.14 1.23 0.00 0.00 1.57 -1.40 -3.43 116.57 114.68 2x9r h LYS 68 Ca 0.42 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2x9r h LYS 68 Cb 1.46 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2x9r h LYS 68 CO -0.07 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 2x9r n GLY 69 N -1.01 1.02 1.00 3.86 0.00 0.27 -4.98 105.19 105.35 2x9r n GLY 69 Ca 0.09 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.66 2x9r n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x9r n SER 70 N 0.00 3.83 0.00 1.61 7.64 -1.26 -4.85 113.62 120.58 2x9r n SER 70 Ca 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2x9r n SER 70 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2x9r n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2x9r n THR 71 N 0.24 0.00 -0.71 0.44 -1.04 -1.25 -4.96 114.28 106.99 2x9r n THR 71 Ca 0.19 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.92 2x9r n THR 71 Cb 0.75 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.50 2x9r n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2x9r s LEU 72 N 0.00 0.66 0.00 -4.42 1.43 -1.26 -4.95 118.68 110.14 2x9r s LEU 72 Ca 0.00 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2x9r s LEU 72 Cb 0.00 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2x9r s LEU 72 CO 0.00 -4.15 0.00 1.57 0.23 0.00 0.00 176.35 174.00 2x9r n HIS 73 N -4.86 0.00 0.00 0.29 -0.00 -1.26 -3.92 115.22 105.47 2x9r n HIS 73 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2x9r n HIS 73 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 2x9r n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2x9r n LYS 74 N 0.00 0.00 0.00 1.57 4.76 -1.26 0.08 118.16 123.30 2x9r n LYS 74 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2x9r n LYS 74 Cb 0.00 0.00 0.58 0.00 -1.84 0.00 0.00 35.03 33.77 2x9r n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2x9r n ASN 75 N -0.03 0.00 0.07 4.39 5.03 -1.26 -3.67 115.26 119.79 2x9r n ASN 75 Ca 0.00 0.43 -0.12 0.00 0.87 0.00 0.00 54.58 55.75 2x9r n ASN 75 Cb 0.00 -0.47 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 2x9r n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x9r h ALA 76 N 2.96 -0.52 -0.98 5.41 0.00 -0.84 1.08 119.26 126.36 2x9r h ALA 76 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2x9r h ALA 76 Cb 0.43 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2x9r h ALA 76 CO 0.00 -0.87 0.63 0.00 0.00 0.00 0.00 179.25 179.01 2x9r h ALA 77 N 0.17 1.48 -0.16 0.00 0.00 -0.43 0.83 119.26 121.14 2x9r h ALA 77 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2x9r h ALA 77 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2x9r h ALA 77 CO -0.27 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 2x9r h ALA 78 N 1.50 0.21 0.20 0.00 0.00 -1.30 -2.65 119.26 117.22 2x9r h ALA 78 Ca 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2x9r h ALA 78 Cb 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x9r h ALA 78 CO -0.20 -0.07 -0.12 -0.09 0.00 0.00 0.00 179.25 178.77 2x9r h ARG 79 N 0.01 -0.30 -0.94 0.00 2.43 0.19 1.23 114.38 117.00 2x9r h ARG 79 Ca 0.04 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.48 2x9r h ARG 79 Cb 0.40 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.89 2x9r h ARG 79 CO 0.01 -0.20 0.46 0.00 -1.51 0.00 0.00 179.97 178.73 2x9r h ARG 80 N -0.31 0.40 0.15 0.20 2.47 -0.87 0.11 114.38 116.53 2x9r h ARG 80 Ca -0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2x9r h ARG 80 Cb 0.26 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2x9r h ARG 80 CO 0.02 0.26 -0.07 0.87 0.56 0.00 0.00 179.97 181.61 2x9r h LYS 81 N 0.41 -0.20 0.00 0.04 1.57 -1.02 -2.45 116.57 114.92 2x9r h LYS 81 Ca 0.62 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2x9r h LYS 81 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2x9r h LYS 81 CO -0.55 0.03 0.58 0.66 -0.57 0.00 0.00 179.45 179.61 2x9r h SER 82 N -1.02 0.00 0.00 0.86 4.64 0.23 0.47 113.55 118.74 2x9r h SER 82 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 2x9r h SER 82 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2x9r h SER 82 CO 0.03 0.00 -2.23 0.54 -0.87 0.00 0.00 176.83 174.31 2x9r n ARG 83 N -2.49 0.87 0.02 4.77 1.74 0.30 -4.02 116.66 117.84 2x9r n ARG 83 Ca -0.01 -0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 2x9r n ARG 83 Cb 0.61 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 2x9r n ARG 83 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2x9r h LEU 84 N 0.00 -0.06 -2.18 0.55 7.12 0.45 -1.12 115.31 120.06 2x9r h LEU 84 Ca -0.42 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.59 2x9r h LEU 84 Cb 1.94 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 42.09 2x9r h LEU 84 CO 0.02 0.04 0.02 0.00 -0.13 0.00 0.00 178.44 178.39 2x9r h MET 85 N -0.23 0.00 0.22 1.25 -0.00 -1.75 0.56 114.93 114.97 2x9r h MET 85 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2x9r h MET 85 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2x9r h MET 85 CO 0.01 0.00 -0.10 -0.09 -0.00 0.00 0.00 176.91 176.73 2x9r h ARG 86 N 0.00 -0.28 -0.68 -0.10 2.43 -1.69 -2.73 114.38 111.32 2x9r h ARG 86 Ca 0.00 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2x9r h ARG 86 Cb 0.03 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 2x9r h ARG 86 CO 0.00 -0.19 0.23 -0.22 -1.51 0.00 0.00 179.97 178.28 2x9r h LYS 87 N -0.82 0.37 -0.14 0.20 1.63 -0.60 -2.48 116.57 114.73 2x9r h LYS 87 Ca -0.03 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2x9r h LYS 87 Cb 0.22 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 2x9r h LYS 87 CO 0.05 0.24 -0.33 0.28 -3.45 0.00 0.00 179.45 176.24 2x9r h VAL 88 N 0.38 0.27 -0.34 2.00 2.07 -1.00 -1.66 116.25 117.96 2x9r h VAL 88 Ca 0.36 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.94 2x9r h VAL 88 Cb 0.52 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2x9r h VAL 88 CO -0.38 0.00 0.23 -0.09 0.02 0.00 0.00 177.57 177.35 2x9r h ARG 89 N -0.40 0.17 -1.77 1.57 2.43 -1.12 -2.29 114.38 112.97 2x9r h ARG 89 Ca 0.10 -0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.68 2x9r h ARG 89 Cb 0.56 -0.04 -0.22 0.00 -0.42 0.00 0.00 29.97 29.85 2x9r h ARG 89 CO -0.37 0.11 0.67 1.04 -1.51 0.00 0.00 179.97 179.91 2x9r n GLN 90 N -4.47 2.45 0.00 0.20 6.02 -0.63 -2.45 117.38 118.50 2x9r n GLN 90 Ca 0.04 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 2x9r n GLN 90 Cb 0.29 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.43 2x9r n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2x9r n LEU 91 N 0.10 0.00 0.02 1.08 4.77 -0.88 -4.86 117.00 117.23 2x9r n LEU 91 Ca 0.49 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.36 2x9r n LEU 91 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 2x9r n LEU 91 CO 0.46 0.00 -0.35 -0.07 -1.33 0.00 0.00 177.39 176.10 2x9r h LEU 92 N 0.00 0.13 -0.59 2.23 3.38 -1.51 -3.30 115.31 115.64 2x9r h LEU 92 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2x9r h LEU 92 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2x9r h LEU 92 CO 0.00 1.18 0.12 -1.84 0.09 0.00 0.00 178.44 177.99 2x9r n GLU 93 N -3.25 0.06 -2.17 1.13 0.00 -1.03 0.12 120.64 115.51 2x9r n GLU 93 Ca -0.14 0.51 -0.42 0.00 0.00 0.00 0.00 57.16 57.10 2x9r n GLU 93 Cb 1.02 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 30.65 2x9r n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2x9r n ALA 94 N -1.54 5.60 -2.97 -1.84 0.00 -1.24 -4.51 120.51 114.00 2x9r n ALA 94 Ca -0.01 -4.20 -0.03 0.00 0.00 0.00 0.00 53.44 49.20 2x9r n ALA 94 Cb 0.13 -3.07 0.02 0.00 0.00 0.00 0.00 19.45 16.53 2x9r n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9r n ALA 95 N 4.03 -2.40 0.00 0.00 0.00 -1.16 -4.99 120.51 116.00 2x9r n ALA 95 Ca 0.45 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2x9r n ALA 95 Cb 0.35 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2x9r n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9r n GLY 96 N -1.60 0.00 1.44 0.00 0.00 0.12 -5.01 105.19 100.15 2x9r n GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2x9r n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r n ALA 97 N -0.44 -1.08 -1.62 4.61 0.00 -1.26 -4.65 120.51 116.08 2x9r n ALA 97 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.92 2x9r n ALA 97 Cb 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2x9r n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2x9r n PRO 98 N 1.53 1.24 0.00 0.00 -0.04 -1.26 -4.96 135.00 131.51 2x9r n PRO 98 Ca 0.00 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2x9r n PRO 98 Cb 0.04 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2x9r n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x9r n LEU 99 N 3.14 0.19 -4.54 1.53 4.77 -1.26 -4.76 117.00 116.08 2x9r n LEU 99 Ca 0.20 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.74 2x9r n LEU 99 Cb 0.19 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2x9r n LEU 99 CO 0.66 0.00 1.89 0.00 -1.33 0.00 0.00 177.39 178.61 2x9r n ILE 100 N -0.11 0.19 -0.34 -0.08 0.13 -1.26 -4.75 119.36 113.15 2x9r n ILE 100 Ca 0.00 -0.44 -0.03 0.00 -1.10 0.00 0.00 62.75 61.18 2x9r n ILE 100 Cb 0.00 -2.23 -0.04 0.00 -0.84 0.00 0.00 39.64 36.53 2x9r n ILE 100 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2x9r n GLY 101 N 6.11 1.65 3.55 4.50 0.00 -1.26 -4.81 105.19 114.92 2x9r n GLY 101 Ca 0.37 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2x9r n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 102 N 2.29 -0.02 4.52 -0.02 0.00 -1.26 -4.82 105.19 105.88 2x9r n GLY 102 Ca 0.10 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2x9r n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 103 N -2.32 0.38 3.74 -0.02 0.00 -1.26 -4.39 105.19 101.31 2x9r n GLY 103 Ca 0.15 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2x9r n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x9r s LEU 104 N 0.00 4.36 -0.28 0.99 0.20 -1.26 -4.99 118.68 117.70 2x9r s LEU 104 Ca 0.00 2.80 -0.09 0.00 0.69 0.00 0.00 54.13 57.53 2x9r s LEU 104 Cb 0.00 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.12 2x9r s LEU 104 CO 0.00 -0.86 0.13 -0.94 -0.29 0.00 0.00 176.35 174.39 2x9r s SER 105 N 0.71 5.52 0.00 3.68 1.04 -1.26 -4.87 113.70 118.52 2x9r s SER 105 Ca 0.66 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2x9r s SER 105 Cb -0.46 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2x9r s SER 105 CO 0.41 -0.09 0.35 0.00 0.98 0.00 0.00 173.24 174.88